10 10 0 0 0 1 V2000 -0.2655 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0.3690 1.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0.5000 -1.4621 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7034 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 1.8103 1.0759 0.0000 N 0 0 0 0 0 0 0 0 0 -0.3862 2.2172 0.0000 Cl 0 0 0 0 0 0 0 0 0 1.9414 -1.3966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3621 -1.6103 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4931 0.8552 0.0000 Cl 0 0 0 0 0 0 0 0 0 2.5931 -0.1103 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 7 10 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00051677 > ALDRICH > 458821 > FLUKA > 89899 > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191224 > ALDRICH > 662720 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 6 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03788196 > ALDRICH > 662739 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0025 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 7 9 2 0 0 0 7 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00128860 > ALDRICH > 660396 > - > - > - > - > 16270155 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 4.3333 -6.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -6.7792 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -5.7292 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -6.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 7 2 0 0 0 0 10 3 1 0 0 0 0 9 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01321315 > ALDRICH > 475521 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 5.1064 -3.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1064 -3.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 -4.1604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1457 -3.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1457 -3.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 -2.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5886 -2.9615 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.6635 -2.9615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01646060 > ALDRICH > 667129 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 1 V2000 0.6517 0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0.6517 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6517 1.5069 0.0000 C 0 0 0 0 0 0 0 0 0 1.9552 1.5034 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6517 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 1.9517 -1.5069 0.0000 Br 0 0 0 0 0 0 0 0 0 -1.9552 0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9552 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 5 8 2 0 0 0 7 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00239380 > ALDRICH > 448109 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 1.5856 -0.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5856 -1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1052 -1.8063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6248 -1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6248 -0.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1052 -0.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0678 -0.6073 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.1426 -0.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6604 -0.9062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1426 -0.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00173919 > ALDRICH > 667137 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 1.1788 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 -1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 1 7 1 0 0 0 4 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 -3.0925 3.6538 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06657686 > ALDRICH > 661104 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0685 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -0.8243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 -0.8243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 0.8243 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 1 6 2 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03095187 > ALDRICH > 553719 > - > - > - > - > 16270155 $$$$ 17 19 0 0 0 0 0 0 0 0 1 V2000 -1.2114 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2114 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9259 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6404 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6404 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9259 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4268 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0581 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4268 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8802 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2927 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5302 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2927 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3524 -0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.3524 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 2 1 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 10 2 0 0 0 13 16 1 0 0 0 4 17 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00444784 > ALDRICH > 658960 > - > - > - > - > 16270155 $$$$ 17 19 0 0 0 0 0 0 0 0 1 V2000 -1.2114 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2114 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9259 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6404 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6404 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9259 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4268 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0581 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4268 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8802 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3524 0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2927 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2927 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3524 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 2 1 0 0 0 8 10 1 0 0 0 4 11 1 0 0 0 10 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 10 2 0 0 0 14 17 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00444892 > ALDRICH > 658995 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 1.0313 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6188 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6188 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6188 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8563 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4438 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 1 6 2 0 1 7 1 0 8 9 1 0 4 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00673153 > ALDRICH > 536008 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.4123 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4123 -0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0166 -0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0166 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 -1.6471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 -1.6457 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1243 0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 3 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 -8.0740 7.3648 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00153085 > ALDRICH > 661139 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 2 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00234064 > ALDRICH > 661228 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.4416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4402 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.2070 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 6 9 1 0 0 0 9 10 2 0 0 0 9 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04038325 > ALDRICH > 660582 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 5.2689 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2689 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7885 -4.0250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3082 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3082 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7885 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8260 -4.0240 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7511 -4.0240 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7885 -4.8729 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7885 -2.2302 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3064 -2.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2707 -2.5292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 6 10 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 G 10 6 NO2 M CHG 4 3 1 9 -1 10 1 12 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 10 11 12 M SBL 1 1 8 M SMT 1 NO2 M SBV 1 8 0.0000 -0.6000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00955611 > ALDRICH > 673161 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.4023 -5.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4023 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 -6.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8332 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8332 -5.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 -5.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6803 -6.9906 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5510 -6.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9531 -6.9865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 8 1 0 0 0 0 2 7 1 0 0 0 0 1 2 2 0 0 0 0 8 9 3 0 0 0 0 G 8 4 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 6 M SMT 1 CN M SBV 1 6 -0.7300 0.4200 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00274527 > ALDRICH > 665967 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.4302 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.4096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 4 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 8 10 2 0 0 0 1 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00468968 > ALDRICH > 646407 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 4 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03095301 > ALDRICH > 660043 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.5089 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5089 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 -1.1803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -1.1788 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8099 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5089 0.0572 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 1 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 ^CF3 M SBV 1 8 -4.2447 5.2550 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00153086 > ALDRICH > 661120 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 6 2 0 0 0 0 6 4 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 3 5 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00151793 > ALDRICH > 634204 > - > - > - > - > 16270155 $$$$ 21 20 0 0 0 0 0 0 0 0 1 V2000 0.3131 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3131 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4013 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1158 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1158 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4013 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0251 0.5889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8278 2.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0251 2.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2215 -1.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2215 -1.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4929 -0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2074 -1.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2074 -1.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4929 -2.2541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 -2.2527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9194 -0.6055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 -0.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 0.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5664 0.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 8 1 0 0 0 0 2 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 10 16 1 0 0 0 0 13 17 1 0 0 0 0 11 18 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 19 20 1 0 0 0 0 1 7 1 0 0 0 0 20 21 1 0 0 0 0 G 19 0 • H2O M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 19 20 21 M SMT 1 • H2O M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08276809 > ALDRICH > 661236 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 1 V2000 -0.1966 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 1.0276 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4207 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1966 -1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 2.2241 0.2448 0.0000 O 0 0 0 0 0 0 0 0 0 1.0276 2.3655 0.0000 O 0 0 0 0 0 0 0 0 0 -2.6483 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4207 -1.8862 0.0000 N 0 0 0 0 0 0 0 0 0 3.4483 0.9138 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6483 -1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 4.6483 0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8621 -1.8724 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 2 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 7 10 1 0 0 0 9 11 1 0 0 0 10 12 1 0 0 0 8 10 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00082739 > ALDRICH > 531197 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.3585 -1.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.7499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.7485 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 3 8 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 10 M SMT 1 OCH3 M SBV 1 10 -7.2777 4.3309 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01765409 > ALDRICH > 660604 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.3585 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -1.1803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.4683 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4815 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 1 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 ^CF3 M SBV 1 8 -4.6958 2.6769 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04972700 > ALDRICH > 661112 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0716 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0716 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3573 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3573 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0718 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0744 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 0.0015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 7 2 0 7 4 1 0 4 5 2 0 5 1 1 0 2 6 1 0 7 8 1 0 8 9 1 0 8 10 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00093197 > ALDRICH > 484652 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2339 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 7 9 2 0 4 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04966945 > ALDRICH > 632147 > - > - > - > - > 16270155 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 -1.1256 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1256 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8401 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5546 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5546 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8401 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3033 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3033 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0178 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7322 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7322 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0178 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4469 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 0.4118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 2 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 10 15 2 0 0 0 0 12 16 1 0 0 0 0 4 17 1 0 0 0 0 13 18 1 0 0 0 0 1 2 2 0 0 0 0 18 19 3 0 0 0 0 G 18 13 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 19 M SMT 1 CN M SBV 1 19 -0.7200 -0.4200 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191728 > ALDRICH > 402311 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 6 8 1 0 5 9 1 0 3 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00068229 > ALDRICH > 543098 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 1 V2000 -1.2414 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2414 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4793 1.4345 0.0000 I 0 0 0 0 0 0 0 0 0 1.2379 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 -1.4345 0.0000 N 0 0 0 0 0 0 0 0 0 1.2379 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 2.4759 -1.4345 0.0000 N 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 5 7 2 0 0 0 7 8 1 0 0 0 6 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00160312 > ALDRICH > 516392 > - > - > - > - > 16270155 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 7.1125 -6.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9375 -6.9958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7402 -6.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7391 -7.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4539 -7.8944 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1703 -7.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1675 -6.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4521 -6.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -7.8917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 -8.7167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 3 4 2 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 1 2 1 0 0 0 0 6 9 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 M CHG 2 5 1 10 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012805 > ALDRICH > 186570 > - > - > - > - > 16270155 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -0.0056 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0068 -0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7081 -0.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7063 0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 0.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4216 0.3203 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4242 -0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -0.7665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7034 -0.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5284 -0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9431 -0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7673 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1766 -0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7556 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9328 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0016 -0.0701 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 10 11 1 0 0 0 0 7 8 2 0 0 0 0 11 12 2 0 0 0 0 8 9 1 0 0 0 0 12 13 1 0 0 0 0 9 5 2 0 0 0 0 13 14 2 0 0 0 0 4 1 2 0 0 0 0 14 15 1 0 0 0 0 15 10 2 0 0 0 0 6 7 1 0 0 0 0 13 16 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00218250 > ALDRICH > 658979 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 7 9 2 0 2 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00051775 > ALDRICH > 528102 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 2 8 1 0 5 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00068230 > ALDRICH > 548405 > - > - > - > - > 16270155 $$$$ 19 21 0 0 0 1 V2000 -1.0966 0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1759 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0138 -0.1897 0.0000 N 0 0 0 0 0 0 0 0 0 -1.0966 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2586 0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1759 -1.4759 0.0000 N 0 0 0 0 0 0 0 0 0 1.1034 0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0138 2.3483 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3414 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2586 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 2.1828 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 1.1034 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0138 3.5966 0.0000 Cl 0 0 0 0 0 0 0 0 0 -4.3414 -1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 3.2655 0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 2.1828 -1.4759 0.0000 N 0 0 0 0 0 0 0 0 0 4.3483 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 3.2655 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 4.3483 -1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 2 0 0 0 4 8 1 0 0 0 5 9 2 0 0 0 6 10 1 0 0 0 7 11 1 0 0 0 7 12 1 0 0 0 8 13 1 0 0 0 9 14 1 0 0 0 11 15 2 0 0 0 11 16 1 0 0 0 15 17 1 0 0 0 16 18 2 0 0 0 17 19 2 0 0 0 8 12 2 0 0 0 10 14 2 0 0 0 18 19 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191930 > ALDRICH > 405868 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.5102 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5102 -0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2043 -1.1810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9188 -0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9188 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2043 0.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 0.4690 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 -1.1810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 0.4690 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8111 1.1810 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5102 0.0579 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6332 -0.2430 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 4 8 1 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 G 9 1 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 6 M SMT 1 CF3 M SBV 1 6 0.7100 -0.4200 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00153095 > ALDRICH > 390534 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 1.1971 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1971 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 -1.2913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 0.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9092 0.5758 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9092 -1.2171 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1971 0.5791 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6082 -0.1330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9092 0.9903 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7859 1.2913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 5 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 G 9 5 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 6 M SMT 1 CF3 M SBV 1 6 0.7100 -0.4100 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191918 > ALDRICH > 393576 > - > - > - > - > 16270155 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 4.5167 -6.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2333 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -5.3375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -6.4250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2333 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -5.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 7 2 0 0 0 0 10 3 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863544 > ALDRICH > 491047 > - > - > - > - > 16270155 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.4125 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.3585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.3585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 -1.0705 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 -1.0705 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 1 1 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 2 2 0 0 0 6 13 1 0 0 0 9 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00234587 > ALDRICH > 513881 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.4139 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.4139 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0729 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.0029 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 1 8 1 0 5 9 1 0 9 10 2 0 9 11 1 0 M CHG 2 9 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 9 M SMT 1 NO2 M SBV 1 9 -8.6705 5.8710 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00047441 > ALDRICH > 376884 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 5.5070 -5.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2215 -7.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9359 -6.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9359 -5.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2215 -5.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6504 -7.2354 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 -6.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 -5.5868 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7950 -4.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0830 -5.9979 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 1 8 1 0 0 0 0 1 7 2 0 0 0 0 7 2 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 G 8 1 NO2 M CHG 2 8 1 10 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 8 9 10 M SBL 1 1 6 M SDI 1 4 5.1300 -5.5400 4.9200 -5.9000 M SMT 1 NO2 M SBV 1 6 0.7100 -0.4100 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006222 > ALDRICH > 324833 > FLUKA > 08101 > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.2333 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 1 2 0 0 0 0 9 10 2 0 0 0 0 10 8 1 0 0 0 0 4 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01646068 > ALDRICH > 632465 > - > - > - > - > 16270155 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 6.8667 -7.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -7.1500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.7402 -6.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7391 -7.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4539 -7.8944 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1703 -7.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1675 -6.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4521 -6.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -7.8917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 -8.7167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 3 4 2 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 1 2 1 0 0 0 0 6 9 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 M CHG 2 5 1 10 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012803 > ALDRICH > 232688 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3583 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -1.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.2083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 10 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 8 2 0 0 0 0 9 5 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03094685 > ALDRICH > 633410 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.3991 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3991 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9187 -4.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4384 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4384 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9187 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8813 -4.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9562 -4.1490 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9187 -2.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4009 -2.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4366 -2.0531 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00052829 > ALDRICH > 681075 > - > - > - > - > 16270155 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -1.7850 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -2.0611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7826 0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 2.0597 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 7 14 2 0 11 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006431 > ALDRICH > C26879 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 1.0705 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -1.2368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.4118 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 4 8 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 10 M SMT 1 ^OCH3 M SBV 1 10 -4.9267 2.5273 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00173668 > ALDRICH > 657425 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3583 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 9 2 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 8 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02683546 > ALDRICH > 525693 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 4 8 1 0 5 9 1 0 9 10 1 0 9 11 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075583 > ALDRICH > 658219 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.3542 -0.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1958 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9083 -0.8958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1958 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 3 2 0 0 0 0 8 9 1 0 0 0 0 9 3 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01075226 > ALDRICH > 536016 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 4 8 1 0 5 9 1 0 9 10 1 0 9 11 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075583 > ALDRICH > 479586 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 4.7828 -5.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7828 -6.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4930 -6.4220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2117 -6.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2117 -5.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4930 -4.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9320 -6.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9320 -4.7609 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0624 -4.7567 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4859 -4.0364 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3411 -4.3303 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6347 -5.4770 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 G 9 1 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 6 M SDI 1 4 4.4000 -4.7200 4.1900 -5.0700 M SMT 1 CF3 M SBV 1 6 0.7200 -0.4200 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042154 > ALDRICH > 366080 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 1 V2000 -0.9828 0.2655 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4759 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0759 1.3724 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3966 0.4966 0.0000 N 0 3 0 0 0 0 0 0 0 0.9345 -1.3069 0.0000 N 0 0 0 0 0 0 0 0 0 -1.3862 -2.1828 0.0000 Cl 0 0 0 0 0 0 0 0 0 1.3379 1.1414 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3069 -0.6069 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9034 1.8414 0.0000 O 0 5 0 0 0 0 0 0 0 1.8414 -0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 3.2586 -0.4310 0.0000 O 0 0 0 0 0 0 0 0 0 4.1655 0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 7 10 2 0 0 0 M CHG 2 4 1 9 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00130268 > ALDRICH > C49909 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.3585 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.4416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.2070 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 2 1 0 1 7 1 0 3 8 1 0 8 9 2 0 8 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05864506 > ALDRICH > 638285 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 4 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01646061 > ALDRICH > 654086 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7826 0.4132 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7826 0.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 5 8 1 0 8 9 1 0 8 10 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03265758 > ALDRICH > 644102 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 5 8 1 0 1 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03427657 > ALDRICH > 636355 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 4 8 1 0 0 0 2 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02093085 > ALDRICH > 652865 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 4 8 1 0 0 0 2 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02093085 > ALDRICH > 637661 > - > - > - > - > 16270155 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 -2.1962 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1962 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4817 -0.6195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7673 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7673 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4817 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 -0.6180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9082 1.0291 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6567 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3687 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6567 0.6152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0832 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0832 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0832 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9082 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 1 8 1 0 9 10 1 0 9 11 2 0 10 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 7 9 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 9 10 11 12 13 14 15 M SBL 1 1 15 M SMT 1 Boc M SBV 1 15 -0.7120 -0.4111 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06411381 > ALDRICH > 646385 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 4 8 1 0 8 9 1 0 9 10 1 0 9 11 2 0 2 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03909755 > ALDRICH > 643475 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 4 8 1 0 8 9 1 0 9 10 1 0 9 11 2 0 5 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06798091 > ALDRICH > 643483 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.2346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 -1.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 6 8 1 0 4 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06798092 > ALDRICH > 643491 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.6354 1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6354 0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9209 -0.1977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2064 0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2064 1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9209 1.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 1.4509 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5056 -0.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6329 -0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3474 -0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6329 -1.4523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5056 1.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 1 7 1 0 4 8 1 0 9 8 1 0 10 9 1 0 9 11 2 0 5 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01928227 > ALDRICH > 643505 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 2 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02706663 > ALDRICH > 646997 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.7962 -3.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7962 -3.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2765 -4.0161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7569 -3.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7569 -3.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2765 -2.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3140 -4.0151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2765 -2.2182 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6786 -2.2182 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2765 -1.6203 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8745 -2.2182 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 G 8 6 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 5 M SMT 1 CF3 M SBV 1 5 0.0000 -0.6000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00077455 > ALDRICH > 660345 > - > - > - > - > 16270155 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 4.1148 -6.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1148 -7.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8293 -7.6611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5438 -7.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5438 -6.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8293 -6.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8293 -5.1889 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2558 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -6.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4958 -6.5875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03092890 > ALDRICH > 632872 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.3034 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8375 0.4132 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0154 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -1.2339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0154 0.4132 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0154 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 0.0021 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 1 8 1 0 0 0 8 9 3 0 0 0 2 10 1 0 0 0 10 11 2 0 0 0 10 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 8 M SMT 1 CN M SBV 1 8 -7.4065 3.3637 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 10 11 12 M SBL 2 1 10 M SMT 2 NO2 M SBV 2 10 -7.4065 4.1859 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06657551 > ALDRICH > 662968 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.9712 -5.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9712 -6.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6857 -7.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4002 -6.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4002 -5.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6857 -5.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 -5.5868 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.1122 -7.2339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1122 -5.5868 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1122 -4.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8242 -5.9979 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 G 9 5 NO2 M CHG 2 9 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 7 M SMT 1 NO2 M SBV 1 7 -0.7000 -0.4100 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04038464 > ALDRICH > 640166 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 2.9067 -3.1957 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9417 -2.2792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2708 -3.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6248 -3.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6248 -4.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3393 -4.8479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0538 -4.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0538 -3.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3393 -3.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7658 -3.1993 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 5.7658 -4.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 2 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 8 10 1 0 0 0 0 7 11 1 0 0 0 0 1 4 1 0 0 0 0 M CHG 2 1 1 2 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06008303 > ALDRICH > 642010 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.4416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.2070 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 6 8 1 0 8 9 2 0 8 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06200712 > ALDRICH > 636746 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 1 8 1 0 6 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03427664 > ALDRICH > 636363 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 1.7193 -3.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7193 -3.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4338 -4.2653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1483 -3.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1483 -3.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4338 -2.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8603 -2.6167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8603 -1.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5723 -3.0278 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0000 -4.2583 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 3 4 2 0 0 0 0 2 10 1 0 0 0 0 G 7 5 NO2 M CHG 2 7 1 9 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 7 8 9 M SBL 1 1 4 M SDI 1 4 3.7200 -2.9200 3.5200 -2.5700 M SMT 1 NO2 M SBV 1 4 -0.7100 -0.4100 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05863241 > ALDRICH > 647004 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 4 8 1 0 8 9 1 0 9 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00234311 > ALDRICH > 646326 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 4 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03840756 > ALDRICH > 646318 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -2.2375 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -0.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 0.7083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 0.7125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 1 2 2 0 0 0 0 1 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04112555 > ALDRICH > 646296 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 3.7223 -5.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7223 -6.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4368 -6.8979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1513 -6.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1513 -5.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4368 -5.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0020 -6.9089 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8717 -5.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 -4.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5943 -5.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3063 -6.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 1 2 2 0 0 0 0 10 11 1 0 0 0 0 G 10 8 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 9 M SMT 1 OCH3 M SBV 1 9 -0.7200 0.4100 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00023420 > ALDRICH > 631175 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.2070 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.2070 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 1.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 5 8 1 0 1 9 1 0 7 10 2 0 7 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06410681 > ALDRICH > 646113 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.4375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.4375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 7 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 4 2 0 0 0 0 7 5 1 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 6 2 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00234147 > ALDRICH > 456543 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.1803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.1788 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 5 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 -5.6289 4.6964 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00153084 > ALDRICH > 643548 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 4 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00971928 > ALDRICH > 633534 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.2408 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2408 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7604 -4.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2800 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2800 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7604 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7978 -2.6656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7978 -3.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3157 -3.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -3.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7978 -4.4615 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 7 2 0 0 0 0 9 10 1 0 0 0 0 4 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01318629 > ALDRICH > 674559 > - > - > - > - > 16270155 $$$$ 22 22 0 0 0 0 0 0 0 0 1 V2000 4.0340 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3195 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3195 -1.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8931 -1.1319 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -1.1319 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4580 0.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1700 0.5124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8819 0.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 -0.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7589 1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4580 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1700 -1.1319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6405 -2.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9285 -1.9791 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3396 -1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5174 -2.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2165 -1.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3525 -1.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3525 -1.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 14 15 2 0 0 0 0 9 14 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 21 22 2 0 0 0 0 16 21 1 0 0 0 0 G 14 8 Boc G 21 8 Boc M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 7 9 10 11 12 13 14 15 M SBL 1 1 13 M SMT 1 Boc M SBV 1 13 -0.7100 -0.4100 M SAL 2 7 16 17 18 19 20 21 22 M SBL 2 1 14 M SMT 2 Boc M SBV 2 14 -0.6100 0.8500 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07784371 > ALDRICH > 655848 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 1.0705 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.4697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -0.4683 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 -1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4815 0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 ^CF3 M SBV 1 8 -6.8603 3.8286 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00153087 > ALDRICH > 661147 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7157 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 5 8 1 0 2 9 1 0 9 10 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 9 M SMT 1 ^OCH3 M SBV 1 9 0.7120 0.0000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09258809 > ALDRICH > 681679 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 4.8127 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8127 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 -3.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8519 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8519 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 -2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3697 -2.5594 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.3697 -3.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 4 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03411569 > ALDRICH > 686387 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 4.9023 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9023 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4219 -4.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9415 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9415 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4219 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4219 -2.2604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4593 -2.8594 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02068297 > ALDRICH > 685224 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 4.7418 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7418 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2615 -3.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7811 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7811 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2615 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2331 -2.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -2.5042 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01646141 > ALDRICH > 681245 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.2543 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2543 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 -3.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2936 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2936 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 -2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8114 -3.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8114 -2.5594 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -3.7573 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 2 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06254589 > ALDRICH > 691828 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 2.6366 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6366 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1563 -0.9333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6759 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6759 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1563 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1188 -0.9323 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.1937 -0.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7916 -0.9323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 4 8 1 0 0 0 0 1 2 2 0 0 0 0 8 9 3 0 0 0 0 G 8 4 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 7 M SMT 1 CN M SBV 1 7 -0.5200 0.2900 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00234142 > ALDRICH > 684902 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.3783 -2.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3783 -3.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8979 -3.7036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4175 -3.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4175 -2.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8979 -2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9371 -3.7036 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8605 -3.7026 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1594 -4.2204 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -4.0015 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5615 -3.1848 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 2 8 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 G 8 2 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 5 M SMT 1 CF3 M SBV 1 5 0.5200 0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042226 > ALDRICH > 684724 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.5835 -3.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5835 -3.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1031 -4.0562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6227 -3.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6227 -3.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1031 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1424 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1424 -2.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0657 -4.0552 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6614 -3.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -3.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 10 7 1 0 0 0 0 7 8 2 0 0 0 0 2 9 1 0 0 0 0 1 2 2 0 0 0 0 10 11 1 0 0 0 0 G 10 7 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 7 M SMT 1 OCH3 M SBV 1 7 -0.5100 0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03095098 > ALDRICH > 697850 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 1 2 2 0 0 0 0 8 9 1 0 0 0 0 G 8 5 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 7 M SMT 1 OCH3 M SBV 1 7 -0.7100 -0.4100 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01570896 > ALDRICH > 649716 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 1 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03095332 > ALDRICH > 643556 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 7.3446 -6.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1708 -6.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1995 -6.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1995 -7.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9139 -7.6319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6284 -7.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6326 -6.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9139 -5.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3404 -7.6304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -7.6304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9139 -5.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 6 9 1 0 0 0 0 4 10 1 0 0 0 0 8 11 1 0 0 0 0 7 1 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00052633 > ALDRICH > 643521 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 3.6322 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6322 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -0.8753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5929 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5929 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0733 -0.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1518 -0.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6714 -0.5753 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04967229 > ALDRICH > 682179 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 2 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04112513 > ALDRICH > 662976 > - > - > - > - > 16270155 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 4.5512 -3.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5512 -3.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -4.0021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5904 -3.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5904 -3.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -2.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1101 -2.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6297 -3.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1101 -2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1083 -4.0010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4072 -3.4832 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6261 -4.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8093 -4.5189 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 1 0 0 0 0 4 10 1 0 0 0 0 7 9 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 G 10 4 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 10 11 12 13 M SBL 1 1 6 M SMT 1 CF3 M SBV 1 6 -0.5200 0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01862052 > ALDRICH > 681261 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 4.9200 -2.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 -3.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4396 -3.4771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9592 -3.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9592 -2.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4396 -2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4022 -3.4760 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4770 -3.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9948 -3.1771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4770 -4.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00155390 > ALDRICH > 680044 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 4.9228 -3.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9228 -3.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 -4.0559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9621 -3.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9621 -3.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 -2.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 -2.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4799 -2.8570 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04114245 > ALDRICH > 680281 > - > - > - > - > 16270155 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 4.6543 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6543 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1740 -4.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6936 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6936 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1740 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1740 -2.2604 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3583 -4.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -4.0875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2114 -2.8594 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9124 -2.3416 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -2.5604 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5103 -3.3772 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 5 10 1 0 0 0 0 8 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 G 10 5 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 10 11 12 13 M SBL 1 1 4 M SDI 1 4 6.1300 -3.1300 5.9200 -2.7700 M SMT 1 CF3 M SBV 1 4 -0.5100 -0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04972770 > ALDRICH > 680036 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7145 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.0014 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 8 9 10 M SBL 1 1 8 M SMT 1 NO2 M SBV 1 8 -5.1133 4.9414 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02683025 > ALDRICH > 674079 > - > - > - > - > 16270155 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 -1.0105 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0105 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4394 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4394 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -1.2368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2985 -1.2354 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.2985 0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5265 0.4118 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5265 1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5265 -0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0155 0.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7275 -0.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 0.5428 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4394 -0.5803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3164 -0.8812 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 2 8 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 9 11 2 0 0 0 9 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 12 13 14 15 16 M SBL 1 1 12 M SMT 1 OCF3 M SBV 1 12 -7.9551 7.1269 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____649945 > ALDRICH > 649945 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 2.4148 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4148 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9344 -0.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9344 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8969 0.3198 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.9712 -0.8745 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4890 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 8 1 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 8 9 1 0 0 0 0 G 8 4 SCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 6 M SMT 1 SCH3 M SBV 1 6 -0.5200 0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03411571 > ALDRICH > 692891 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 4 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04113820 > ALDRICH > 676020 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 6 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00955618 > ALDRICH > 636584 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 5 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03095302 > ALDRICH > 636576 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -3.7860 0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 -0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0715 -0.4604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 -0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0715 1.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 1.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 2.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4980 -0.4589 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 -0.4589 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9305 0.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2161 1.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 2 9 1 0 0 0 0 4 10 1 0 0 0 0 7 11 1 0 0 0 0 1 2 2 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07369794 > ALDRICH > 656437 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 2 7 1 0 0 0 4 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00234068 > ALDRICH > 675865 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 5 8 1 0 8 9 1 0 8 10 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006237 > ALDRICH > 193216 > - > - > - > - > 16270155 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 5.8792 -7.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -6.6208 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -4.7292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -5.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1583 -7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8333 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5708 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -6.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -6.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 7 1 0 0 0 0 4 9 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 10 2 1 0 0 0 0 4 8 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863545 > ALDRICH > 491748 > - > - > - > - > 16270155 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 3.2836 -3.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2836 -3.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9981 -4.3270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7126 -3.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7126 -3.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9981 -2.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4354 -2.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4371 -4.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4307 -5.1631 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9981 -1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7086 -1.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5633 -2.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -2.9667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -2.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 5 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 1 12 1 0 0 0 0 13 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00277472 > ALDRICH > 535508 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 5.4940 -5.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 -6.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2043 -7.2393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9230 -6.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9230 -5.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2043 -5.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6457 -7.2477 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7736 -5.5727 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1972 -4.8523 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0523 -5.1463 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 -6.2930 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6333 -5.5792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 1 8 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 4 5 1 0 0 0 0 5 12 1 0 0 0 0 G 8 1 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 4 M SDI 1 4 5.1100 -5.5300 4.9000 -5.8800 M SMT 1 CF3 M SBV 1 4 0.7200 -0.4200 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042243 > ALDRICH > 366145 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01318951 > ALDRICH > 551902 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8417 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -0.8958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8417 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 0.9000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 5 1 0 0 0 0 8 5 2 0 0 0 0 6 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863635 > ALDRICH > 498181 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 5 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00082592 > ALDRICH > 548030 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 8 2 1 0 9 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006265 > ALDRICH > 152730 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 2 8 1 0 4 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006246 > ALDRICH > 119024 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 1 V2000 0.6207 0.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0.6207 -0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6172 1.3690 0.0000 C 0 0 0 0 0 0 0 0 0 1.8621 1.3690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6172 -1.5103 0.0000 N 0 0 0 0 0 0 0 0 0 1.8621 -1.5103 0.0000 Cl 0 0 0 0 0 0 0 0 0 -1.8586 0.6483 0.0000 C 0 0 0 0 0 0 0 0 0 3.0862 2.0724 0.0000 N 0 0 0 0 0 0 0 0 0 -1.8586 -0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1000 -1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 4 8 3 0 0 0 5 9 2 0 0 0 9 10 1 0 0 0 7 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00082767 > ALDRICH > 362573 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8208 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 5 1 0 0 0 0 8 5 2 0 0 0 0 6 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00691506 > ALDRICH > 569607 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.5158 -5.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5158 -6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2262 -6.9521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9448 -6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9448 -5.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2262 -5.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6652 -5.2910 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.7932 -5.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0677 -5.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 1 2 2 0 0 0 0 8 9 1 0 0 0 0 G 8 1 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 7 M SMT 1 OCH3 M SBV 1 7 0.7200 -0.4200 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00234169 > ALDRICH > 631817 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 1 8 1 0 4 9 1 0 5 10 1 0 2 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075169 > ALDRICH > 339784 > - > - > - > - > 16270155 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 7.1125 -6.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9375 -6.9958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7402 -6.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7391 -7.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4539 -7.8944 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1703 -7.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1675 -6.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4521 -6.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -7.8917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 -8.7167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 3 4 2 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 1 2 1 0 0 0 0 6 9 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 M CHG 2 5 1 10 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012804 > ALDRICH > 195324 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 5 2 0 0 0 0 8 6 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00209553 > ALDRICH > 263354 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7157 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.0014 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 6 8 1 0 5 9 1 0 9 10 2 0 9 11 1 0 M CHG 2 9 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 9 M SMT 1 NO2 M SBV 1 9 -2.8132 2.9219 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012347 > ALDRICH > 304360 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -2.6833 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9713 0.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2593 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2593 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9713 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5454 0.1323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5436 1.7812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 1.7812 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 4 7 1 0 0 0 0 1 2 1 0 0 0 0 5 8 1 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00460094 > ALDRICH > 551899 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 6.6622 -3.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6622 -4.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9477 -5.1194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2332 -4.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2332 -3.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9477 -3.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3742 -5.1179 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9477 -2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5212 -3.4708 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5212 -2.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8092 -3.8819 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 5 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 G 9 5 NO2 M CHG 2 9 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 7 M SDI 1 4 4.8500 -3.4200 4.6500 -3.7800 M SMT 1 NO2 M SBV 1 7 0.7000 -0.4000 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010688 > ALDRICH > 290122 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 1 V2000 0.9241 0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3034 1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0.9241 -0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5621 0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2897 2.6793 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3034 -1.6103 0.0000 N 0 0 0 0 0 0 0 0 0 2.1724 -1.6103 0.0000 Br 0 0 0 0 0 0 0 0 0 -1.5621 -0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 6 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00082590 > ALDRICH > 349984 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 6 8 1 0 4 9 1 0 1 10 1 0 5 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010856 > ALDRICH > 296252 > - > - > - > - > 16270155 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00023553 > ALDRICH > 539368 > - > - > - > - > 16270155 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 4.6375 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -7.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -5.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2083 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2083 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -5.3708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -4.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -7.0375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2083 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -5.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 7 2 0 0 0 0 7 4 1 0 0 0 0 9 4 1 0 0 0 0 10 11 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 3 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02181083 > ALDRICH > 530301 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.3572 0.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3561 -0.4676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 -0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 0.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3561 1.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 -0.4676 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4818 0.2444 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6596 -1.1797 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7828 -0.8787 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 -0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 2 11 1 0 8 11 1 0 9 11 1 0 10 11 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 Cl3C M SBV 1 8 -14.8567 10.3731 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00072500 > ALDRICH > C1930 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.4438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.4437 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 1.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 7 8 2 0 3 7 1 0 1 9 1 0 7 10 1 0 10 11 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 10 M SMT 1 OCH3 M SBV 1 10 -0.7145 -0.4125 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03791265 > ALDRICH > 689505 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 1 V2000 0.7241 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0.7241 -1.0069 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5207 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 1.9759 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5207 -1.7172 0.0000 N 0 0 0 0 0 0 0 0 0 1.9759 -1.7172 0.0000 Cl 0 0 0 0 0 0 0 0 0 -1.7655 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 3.2207 0.4172 0.0000 O 0 0 0 0 0 0 0 0 0 1.9759 2.5483 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7655 -1.0069 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0172 1.1241 0.0000 F 0 0 0 0 0 0 0 0 0 -3.0172 -1.7172 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 4 9 2 0 0 0 5 10 1 0 0 0 7 11 1 0 0 0 10 12 1 0 0 0 7 10 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00799517 > ALDRICH > 472298 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 5 8 1 0 1 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00068231 > ALDRICH > 543071 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.3572 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 0.0007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -1.2339 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 1 0 4 9 1 0 7 10 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006242 > ALDRICH > C58002 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 1 V2000 -0.2483 0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0.9931 -0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4897 -0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2483 2.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0.9931 -1.5690 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4897 -1.5690 0.0000 C 0 0 0 0 0 0 0 0 0 1.0103 2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5069 2.7690 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2483 -2.3034 0.0000 N 0 0 0 0 0 0 0 0 0 2.2310 -2.2655 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 5 10 1 0 0 0 6 9 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191402 > ALDRICH > 543918 > - > - > - > - > 16270155 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 3.8250 -6.2000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5167 -5.3500 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 4.5417 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -7.0250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -6.1750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -5.3500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -4.5292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -5.3500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -4.5500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -4.5417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 5 2 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 2 1 0 0 0 0 13 6 1 0 0 0 0 14 5 1 0 0 0 0 6 7 1 0 0 0 0 M CHG 2 1 1 2 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00153158 > ALDRICH > 439304 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 1 V2000 0.6138 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0.6138 -0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6207 1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 1.8517 1.4621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6207 -1.4276 0.0000 N 0 0 0 0 0 0 0 0 0 1.8793 -1.4483 0.0000 Cl 0 0 0 0 0 0 0 0 0 -1.8552 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8552 -0.7069 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 5 8 2 0 0 0 7 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00234177 > ALDRICH > 518948 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 -0.4083 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -0.4083 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 2 2 0 0 0 0 10 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191795 > ALDRICH > 405426 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.2625 -6.6042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9750 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -7.4292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5417 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -4.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -4.1292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 5 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 3 4 2 0 0 0 0 M CHG 2 1 1 6 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03093995 > ALDRICH > 542172 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 4 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006278 > ALDRICH > 136786 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 6 8 1 0 5 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00038041 > ALDRICH > 180505 > - > - > - > - > 16270155 $$$$ 17 17 0 0 0 0 0 0 0 0 1 V2000 -2.4944 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4944 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0655 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0655 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2064 -1.2339 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -1.2339 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.2064 0.4132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4944 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2064 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 4 8 1 0 1 9 1 0 5 10 1 0 10 11 1 0 10 12 2 0 11 13 1 0 13 14 1 0 13 15 2 0 14 16 1 0 16 17 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00799535 > ALDRICH > 472271 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.1255 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8375 0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8375 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0154 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0154 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 1 2 2 0 0 0 0 10 11 3 0 0 0 0 G 10 5 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 9 M SMT 1 CN M SBV 1 9 -0.7100 -0.4100 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863289 > ALDRICH > 422169 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 1 V2000 0.0069 -0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2379 -0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 1.2379 -0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0.0069 -2.2276 0.0000 Cl 0 0 0 0 0 0 0 0 0 -1.2379 1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4897 -0.7931 0.0000 Cl 0 0 0 0 0 0 0 0 0 1.2379 1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 2.4828 -0.7931 0.0000 Cl 0 0 0 0 0 0 0 0 0 0.0069 2.0724 0.0000 N 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 5 9 2 0 0 0 7 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00051685 > ALDRICH > 467936 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 1 V2000 0.0000 -1.0793 0.0000 N 0 0 0 0 0 0 0 0 0 1.2345 -0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2379 -0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 1.2345 1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 2.4724 -1.0793 0.0000 N 0 0 0 0 0 0 0 0 0 -1.2379 1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4759 -1.0793 0.0000 Br 0 0 0 0 0 0 0 0 0 0.0000 1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 2 4 2 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 6 8 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00137843 > ALDRICH > 521744 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 4.5336 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5336 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 -7.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6770 -7.6417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6770 -5.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006235 > ALDRICH > 116203 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 5 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006275 > ALDRICH > 135933 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 5 2 0 0 0 0 7 2 2 0 0 0 0 8 4 1 0 0 0 0 4 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00456288 > ALDRICH > 528226 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2339 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4132 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7145 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.0021 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 G 8 5 NO2 M CHG 2 8 1 10 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 8 9 10 M SBL 1 1 6 M SMT 1 NO2 M SBV 1 6 -0.7100 -0.4100 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00955613 > ALDRICH > 523364 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.4940 -5.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 -6.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2043 -7.2393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9230 -6.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9230 -5.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2043 -5.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6457 -7.2477 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7736 -5.5727 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1972 -4.8523 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0523 -5.1463 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 -6.2930 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 1 8 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 G 8 1 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 5 M SDI 1 4 5.1100 -5.5300 4.9000 -5.8800 M SMT 1 CF3 M SBV 1 5 0.7200 -0.4200 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042225 > ALDRICH > 366137 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.3585 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.4132 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4132 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0705 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.0021 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 4 8 1 0 0 0 2 9 1 0 0 0 9 10 2 0 0 0 9 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 9 M SMT 1 NO2 M SBV 1 9 -3.2694 2.7679 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00023473 > ALDRICH > 658448 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 4.6140 -5.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6140 -6.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3285 -7.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0429 -6.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0429 -5.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3285 -5.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7574 -7.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7574 -5.5861 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7574 -4.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4694 -5.9971 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 G 8 5 NO2 M CHG 2 8 1 10 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 8 9 10 M SBL 1 1 6 M SDI 1 4 6.6200 -5.9000 6.4100 -5.5400 M SMT 1 NO2 M SBV 1 6 -0.7100 -0.4100 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006232 > ALDRICH > C61607 > FLUKA > 25600 > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 6.7429 -6.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3140 -6.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3140 -7.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0326 -7.4278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7429 -7.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0326 -5.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4657 -7.4403 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5926 -5.7778 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5885 -4.9514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8806 -6.1888 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 1 6 2 0 0 0 0 6 2 1 0 0 0 0 5 7 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 2 8 1 0 0 0 0 M CHG 2 8 1 10 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006240 > ALDRICH > C61801 > FLUKA > 25610 > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.6140 -5.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6140 -6.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3285 -7.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0429 -6.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0429 -5.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3285 -5.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7574 -7.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7574 -5.5861 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7574 -4.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4694 -5.9971 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8958 -7.2292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 3 4 2 0 0 0 0 2 11 1 0 0 0 0 G 8 5 NO2 M CHG 2 8 1 10 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 8 9 10 M SBL 1 1 5 M SDI 1 4 6.6200 -5.9000 6.4100 -5.5400 M SMT 1 NO2 M SBV 1 5 -0.7100 -0.4100 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006234 > ALDRICH > 193585 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.0250 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.8083 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 7 6 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00661170 > ALDRICH > 17636 > - > - > - > - > 16270155 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 6.7657 -5.5819 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7657 -4.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4819 -5.9929 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0429 -5.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6140 -5.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6140 -6.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3326 -7.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0429 -6.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3326 -5.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7657 -7.2486 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 -5.5861 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8885 -4.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1806 -5.9971 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 4 1 0 0 0 0 4 9 2 0 0 0 0 9 5 1 0 0 0 0 8 10 1 0 0 0 0 1 3 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 5 11 1 0 0 0 0 G 1 0 NO2 M CHG 4 1 1 3 -1 11 1 13 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13 M SDI 1 4 2.7700 -7.7500 2.7700 -4.3400 M SMT 1 NO2 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006233 > ALDRICH > 224049 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 6 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006323 > ALDRICH > 122858 > FLUKA > 07150 > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.3586 0.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0721 0.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0699 -0.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3544 -0.8261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3569 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0678 0.8261 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 -0.8210 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 5 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006229 > ALDRICH > D73405 > - > - > - > - > 16270155 $$$$ 23 25 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5708 -2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 -2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 5 2 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 9 2 0 0 0 0 14 9 1 0 0 0 0 15 5 1 0 0 0 0 16 18 2 0 0 0 0 17 21 1 0 0 0 0 18 13 1 0 0 0 0 19 11 1 0 0 0 0 20 14 2 0 0 0 0 21 12 2 0 0 0 0 22 17 1 0 0 0 0 23 16 1 0 0 0 0 6 4 2 0 0 0 0 17 19 2 0 0 0 0 20 16 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03094027 > ALDRICH > 546348 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 5 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03453233 > ALDRICH > 71585 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 3.3027 -1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3016 -2.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0164 -2.7110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7328 -2.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -1.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0146 -1.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5868 -2.7101 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4480 -2.7091 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0121 -0.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7254 0.1816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2964 0.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 1 2 2 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 4 5 1 0 0 0 0 9 10 1 0 0 0 0 2 3 1 0 0 0 0 9 11 2 0 0 0 0 5 6 2 0 0 0 0 10 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00044409 > ALDRICH > 675962 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7838 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0693 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7838 0.4111 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 5 8 1 0 8 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00125366 > ALDRICH > 516910 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 5 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006379 > ALDRICH > 218006 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 7.1228 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1228 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4083 -6.8333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6938 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6938 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4083 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8432 -6.8486 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.9735 -6.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2522 -6.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 4 8 1 0 0 0 0 1 2 2 0 0 0 0 8 9 1 0 0 0 0 G 8 4 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 7 M SDI 1 4 5.1000 -6.5200 5.3100 -6.8700 M SMT 1 OCH3 M SBV 1 7 0.7200 0.4200 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00088345 > ALDRICH > 520535 > - > - > - > - > 16270155 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 -1.8401 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5546 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5546 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8401 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1256 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1256 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3033 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3033 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0178 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7322 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7322 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0178 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 0.4139 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4469 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 0.4132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 10 11 2 0 0 0 0 8 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 9 1 0 0 0 0 2 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 1 2 2 0 0 0 0 18 19 3 0 0 0 0 G 18 14 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 19 M SMT 1 CN M SBV 1 19 -0.7200 -0.4100 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191724 > ALDRICH > 402435 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 5 8 1 0 8 9 1 0 8 10 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006236 > ALDRICH > 150339 > FLUKA > 25341 > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 1 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006239 > ALDRICH > 193763 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.5088 -6.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5088 -6.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2243 -7.2729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9397 -6.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9397 -6.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2243 -5.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6617 -7.2802 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2243 -4.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 -7.2844 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 2 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00052832 > ALDRICH > 565342 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 9 2 0 0 0 0 9 7 1 0 0 0 0 10 4 1 0 0 0 0 3 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01315308 > ALDRICH > 632155 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.1803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.1788 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 5 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 -2.4063 2.7628 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042223 > ALDRICH > 469378 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2483 0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 1 8 1 0 8 9 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 8 M SMT 1 CN M SBV 1 8 -2.5874 2.9033 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00014628 > ALDRICH > 535338 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 6 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00023418 > ALDRICH > 116327 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3583 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 4 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01318952 > ALDRICH > 510297 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 5 8 1 0 1 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00068232 > ALDRICH > 525537 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 6.3167 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -7.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -4.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -7.2542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 2 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 5 2 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 3 7 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00134165 > ALDRICH > 357847 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 6 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00060089 > ALDRICH > 522937 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3583 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -1.2333 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 4 2 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 8 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04974527 > ALDRICH > 595942 > - > - > - > - > 16270155 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 6.4625 -6.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 -6.3417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4886 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4886 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -8.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9175 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9175 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9175 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9175 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4886 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4886 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1958 -3.5042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 3 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 3 1 0 0 0 0 12 15 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012753 > ALDRICH > C68407 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863742 > ALDRICH > 520438 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3583 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -1.2333 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 10 6 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04115419 > ALDRICH > 596280 > - > - > - > - > 16270155 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 4.3333 -6.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -6.7792 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -5.7292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -6.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 7 2 0 0 0 0 10 3 1 0 0 0 0 9 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01321314 > ALDRICH > 475513 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 1 8 1 0 6 9 1 0 5 10 1 0 4 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010624 > ALDRICH > 427659 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 1.2339 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8243 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4265 -0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2354 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 4 8 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 G 8 4 NO2 M CHG 2 8 1 10 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 8 9 10 M SBL 1 1 6 M SMT 1 NO2 M SBV 1 6 -0.7100 0.8200 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00160411 > ALDRICH > 520411 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 4 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040743 > ALDRICH > 429112 > FLUKA > 53037 > - > - > 16270155 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2542 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5417 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 -0.8208 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -0.8208 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5417 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2542 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 2 0 0 0 0 3 6 2 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 5 1 0 0 0 0 13 4 2 0 0 0 0 14 7 1 0 0 0 0 15 6 1 0 0 0 0 16 13 1 0 0 0 0 17 15 2 0 0 0 0 18 14 2 0 0 0 0 19 18 1 0 0 0 0 20 17 1 0 0 0 0 12 16 2 0 0 0 0 20 9 2 0 0 0 0 8 19 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863557 > ALDRICH > 494070 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 6 5 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03427653 > ALDRICH > 593206 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7019 -0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 -0.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 -0.8466 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7019 0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4038 0.8466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 2 0 2 5 1 0 2 6 1 0 4 7 1 0 4 8 1 0 6 8 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006243 > ALDRICH > 188778 > FLUKA > 07550 > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.8450 -5.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 -6.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5553 -6.4407 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2739 -6.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2739 -5.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5553 -4.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9925 -6.4490 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5581 -7.2662 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5553 -3.9588 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2673 -4.3699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8433 -4.3699 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 3 8 1 0 0 0 0 6 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 G 9 6 NO2 M CHG 4 3 1 8 -1 9 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 5 M SMT 1 NO2 M SBV 1 5 0.0000 -0.8300 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00955617 > ALDRICH > 534269 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.3567 0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0556 0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3537 -1.2162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 -0.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3452 -0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7663 0.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3537 0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0556 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0673 1.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7663 -1.2218 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 5 1 0 4 8 1 0 1 5 2 0 2 6 2 0 1 7 1 0 7 8 2 0 2 9 1 0 4 10 1 0 3 4 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006241 > ALDRICH > 156353 > FLUKA > 25345 > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 2 9 1 0 9 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00142844 > ALDRICH > 405418 > FLUKA > 14656 > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 6.0458 -6.9917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0375 -6.0833 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3208 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -6.0833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6083 -6.0833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -4.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 8 2 0 0 0 0 8 4 1 0 0 0 0 9 3 2 0 0 0 0 9 7 1 0 0 0 0 1 2 1 0 0 0 0 M CHG 2 1 -1 2 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00130246 > ALDRICH > 594059 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 5.2543 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2543 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 -3.7562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2936 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2936 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -2.5573 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8114 -2.5573 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04114221 > ALDRICH > 691801 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 4.9606 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9606 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4802 -4.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4802 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4802 -2.2604 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.5176 -2.8594 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03092927 > ALDRICH > 685216 > - > - > - > - > 16270155 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 5.4793 -3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4793 -3.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 -4.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5186 -3.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5186 -3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0364 -3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -3.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0364 -2.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0364 -4.2073 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9615 -3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9615 -2.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4419 -2.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9223 -2.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9223 -3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4419 -3.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 4 10 1 0 0 0 0 1 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06616561 > ALDRICH > 687014 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 4.8102 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8102 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3299 -3.7562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8495 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8495 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3299 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3691 -2.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3673 -3.7552 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 4 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00023421 > ALDRICH > 675873 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 5.1648 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1648 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 -3.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2040 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2040 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 -2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6469 -3.7573 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7218 -3.7573 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7218 -2.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1239 -2.5594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 1 2 2 0 0 0 0 9 10 3 0 0 0 0 G 9 5 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 8 M SMT 1 CN M SBV 1 8 -0.5200 -0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03411341 > ALDRICH > 684872 > - > - > - > - > 16270155 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006219 > ALDRICH > B80100 > FLUKA > 18270 > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 1.7069 -4.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7069 -5.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2265 -5.4404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7462 -5.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7462 -4.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2265 -4.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1874 -4.2405 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.2658 -5.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7854 -5.1404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2658 -6.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 8 4 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04112535 > ALDRICH > 694177 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 5.1606 -2.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1606 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6802 -3.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1998 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1998 -2.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6802 -2.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6428 -2.5594 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.7176 -2.5594 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03086019 > ALDRICH > 691453 > - > - > - > - > 16270155 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.3523 -0.8108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 0.8108 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3496 -0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3494 0.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0513 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 1 0 1 4 2 0 1 5 1 0 6 7 1 0 5 7 2 0 3 6 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006373 > ALDRICH > B80208 > FLUKA > 18280 > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 1 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006376 > ALDRICH > D73804 > FLUKA > 09346 > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.8912 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8912 -0.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1768 -1.1354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 -0.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1768 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1768 1.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6057 0.5146 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 -0.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6057 -1.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 6 7 1 0 0 0 0 1 8 1 0 0 0 0 4 9 1 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 G 9 4 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 8 M SMT 1 OCH3 M SBV 1 8 -0.3600 0.2000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04039980 > ALDRICH > 588873 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8208 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00234011 > ALDRICH > 595675 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 6.0375 -6.0667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3167 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -6.8917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3167 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -4.4042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -4.4042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 5 1 0 0 0 0 7 5 1 0 0 0 0 M CHG 2 1 1 4 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00955620 > ALDRICH > 596515 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3583 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -0.8208 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 7 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04039884 > ALDRICH > 554146 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3583 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -1.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 10 6 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03095223 > ALDRICH > 596175 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3583 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 7 2 0 0 0 0 9 3 2 0 0 0 0 10 4 1 0 0 0 0 9 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00272200 > ALDRICH > 597872 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0692 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 -1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3597 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3597 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 0.4146 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.2339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4132 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0717 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 0.0021 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 4 8 1 0 5 9 1 0 9 10 2 0 9 11 1 0 M CHG 2 9 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 9 M SMT 1 NO2 M SBV 1 9 -2.6506 1.7195 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00092011 > ALDRICH > 594202 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 4 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006221 > ALDRICH > D43107 > FLUKA > 34325 > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 5.2711 -3.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2711 -3.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7907 -4.2078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3103 -3.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3103 -3.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7907 -3.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8299 -3.0078 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 -3.0078 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7907 -2.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2711 -2.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3103 -2.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8299 -2.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06203945 > ALDRICH > 679577 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 1 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00126915 > ALDRICH > 574414 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 5.1659 -2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1659 -3.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6855 -3.7569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2051 -3.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2051 -2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6855 -2.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6463 -3.7569 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7229 -2.5579 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.7248 -3.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3227 -3.7569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 1 2 2 0 0 0 0 9 10 3 0 0 0 0 G 9 4 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 7 M SDI 1 4 6.4700 -3.7800 6.6200 -3.5200 M SMT 1 CN M SBV 1 7 -0.5200 0.3000 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD10000884 > ALDRICH > 677825 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.2314 -2.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2314 -3.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 -3.7021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2707 -3.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2707 -2.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 -2.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7885 -3.7010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7885 -2.5031 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.7136 -2.5031 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7136 -1.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -2.8021 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 G 9 1 NO2 M CHG 2 9 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 7 M SMT 1 NO2 M SBV 1 7 0.5100 -0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07368863 > ALDRICH > 694738 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.3624 -0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3223 -0.8237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3624 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0443 -0.7836 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0443 0.8237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3223 0.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 3 5 1 0 2 6 1 0 3 7 2 0 7 8 1 0 6 8 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006238 > ALDRICH > A46900 > FLUKA > 07540 > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 1 8 1 0 6 9 1 0 5 10 1 0 4 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006230 > ALDRICH > 138002 > FLUKA > 76481 > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.2339 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.4132 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 5 8 1 0 8 9 1 0 8 10 2 0 1 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075181 > ALDRICH > 340219 > FLUKA > 36000 > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 2 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 7 4 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03791312 > ALDRICH > 636371 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 1 V2000 1.2379 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 1.2379 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 2.4759 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2414 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 -1.4345 0.0000 N 0 0 0 0 0 0 0 0 0 -1.2414 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4793 -1.4345 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 5 7 2 0 0 0 7 8 1 0 0 0 6 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00792460 > ALDRICH > 495328 > FLUKA > 17368 > - > - > 16270155 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 4.7292 -3.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -3.6167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3193 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3193 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0338 -4.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0338 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4627 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1772 -4.4625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012811 > FLUKA > 25260 > - > - > - > - > 16270155 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.1917 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1917 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4772 -0.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2373 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2373 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4772 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4772 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9517 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 0.8429 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 4 8 1 0 M CHG 2 3 1 9 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011984 > ALDRICH > 198005 > FLUKA > 25270 > - > - > 16270155 $$$$ 11 11 0 0 0 1 V2000 0.9310 -0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0.0379 1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0.4000 -1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 2.3517 0.1069 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3655 0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0103 -1.6276 0.0000 N 0 0 0 0 0 0 0 0 0 2.8931 1.4483 0.0000 O 0 0 0 0 0 0 0 0 0 3.2448 -1.0034 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9069 -0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2621 1.9483 0.0000 Cl 0 0 0 0 0 0 0 0 0 -3.3241 -0.7034 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 5 10 1 0 0 0 9 11 1 0 0 0 6 9 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00052950 > ALDRICH > 24882 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 5 8 1 0 6 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03094687 > ALDRICH > 653136 > - > - > - > - > 16270155 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.3308 -0.8237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0528 0.8237 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3597 0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3626 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3595 0.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0528 0.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 1 0 1 4 2 0 1 5 1 0 6 7 1 0 5 7 2 0 3 6 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006375 > ALDRICH > C70002 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 5.6791 -2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1607 -2.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6838 -3.7548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2023 -3.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1999 -2.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 -3.7496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -2.5599 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 2 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00234042 > ALDRICH > 691461 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.1129 0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1129 -0.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8273 -0.8479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5418 -0.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5418 0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8273 0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2538 -0.8465 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2538 0.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4345 0.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6181 0.8479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 8 9 2 0 0 0 9 10 2 0 0 0 10 1 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07368563 > ALDRICH > 671134 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.6457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 8 1 0 7 8 2 0 8 9 1 0 4 10 1 0 1 11 1 0 11 12 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 1 11 M SMT 1 OCH3 M SBV 1 11 -0.7120 0.4111 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05663521 > ALDRICH > 693952 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.2346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 4 8 1 0 6 9 1 0 5 10 1 0 2 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006226 > ALDRICH > 248010 > - > - > - > - > 16270155 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006228 > ALDRICH > C69802 > FLUKA > 26280 > RIEDEL > 62350 > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7019 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 0.8266 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4038 0.8266 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7019 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 3 8 1 0 4 7 2 0 3 5 1 0 4 6 1 0 1 7 1 0 1 8 2 0 2 4 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00014634 > ALDRICH > 120162 > FLUKA > 34335 > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0114 -0.8136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7135 -0.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7162 -0.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4181 -0.8136 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 -0.8136 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0114 0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7135 0.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7162 0.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 2 4 1 0 3 5 1 0 6 8 1 0 2 7 1 0 3 8 2 0 6 7 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006223 > ALDRICH > D43115 > FLUKA > 34330 > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0709 0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0709 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3564 -1.2365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3564 0.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 0.4135 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0732 0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7854 -0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0732 1.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 7 1 0 7 5 2 0 5 1 1 0 1 6 1 0 7 8 1 0 8 9 1 0 8 10 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009783 > ALDRICH > 228435 > FLUKA > 17669 > - > - > 16270155 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.2354 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.6464 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0705 0.8229 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0705 1.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.4118 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 5 11 1 0 0 0 11 12 2 0 0 0 11 13 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 8 9 10 M SBL 1 1 8 M SMT 1 ^NO2 M SBV 1 8 -7.9000 2.6576 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 11 12 13 M SBL 2 1 11 M SMT 2 NO2 M SBV 2 11 -6.4760 3.8908 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00007108 > RIEDEL > 34335 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006220 > ALDRICH > 116173 > FLUKA > 18292 > - > - > 16270155 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 3.8250 -6.2000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5167 -5.3500 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 4.5417 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -7.0250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -6.1750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -5.3500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -4.5292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -5.3500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -6.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 3 1 0 0 0 0 14 13 2 0 0 0 0 12 14 1 0 0 0 0 M CHG 2 1 1 2 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00153157 > ALDRICH > 439290 > - > - > - > - > 16270155 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 4.9417 -6.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -6.5500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7174 -6.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 -6.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -7.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7135 -7.9420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4290 -7.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4309 -6.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7193 -5.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4339 -5.0580 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012826 > FLUKA > 25264 > - > - > - > - > 16270155 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 5.2250 -6.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -6.9875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -7.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7958 -5.3500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7958 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5083 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -6.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 6 1 0 0 0 0 5 4 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 5 2 0 0 0 0 9 5 1 0 0 0 0 7 3 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012828 > ALDRICH > B80429 > FLUKA > 18290 > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 4.8227 -2.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8227 -3.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3344 -3.7813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8419 -3.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8419 -2.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3344 -2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3151 -3.7813 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3578 -3.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8653 -3.4896 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3770 -3.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8653 -2.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3770 -3.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08705263 > ALDRICH > 676721 > - > - > - > - > 16270155 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -2.1397 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 -2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -2.6784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 -2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 1.0298 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 2.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 2.6770 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 13 16 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00453972 > ALDRICH > 642231 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0179 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0179 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3034 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3034 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 -1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3034 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5187 1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3034 0.4139 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 -5.2933 5.2064 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042224 > ALDRICH > 559989 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 5.0167 -4.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7679 -3.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3022 -5.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3022 -6.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -6.5528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7312 -6.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7312 -5.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 -4.9042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5902 -4.9042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 3 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 3 2 0 0 0 0 3 4 1 0 0 0 0 8 9 1 0 0 0 0 4 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00104651 > ALDRICH > 644196 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.3188 -6.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3188 -7.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -7.4638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7478 -7.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7478 -6.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -5.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4682 -7.4749 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5985 -7.4791 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -4.9862 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7453 -4.5722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3130 -4.5722 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 2 8 1 0 0 0 0 6 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 G 9 6 NO2 M CHG 2 9 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 7 M SDI 1 4 6.2300 -5.2500 5.8200 -5.2500 M SMT 1 NO2 M SBV 1 7 0.0000 -0.8200 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05670545 > ALDRICH > 647411 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.1788 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.1788 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 2 8 1 0 5 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -2.4799 2.2472 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042245 > ALDRICH > 648884 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.0025 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 -0.4132 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 5 8 1 0 0 0 7 9 2 0 0 0 7 10 1 0 0 0 10 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 10 M SMT 1 OCH3 M SBV 1 10 -6.7191 8.5300 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06203934 > ALDRICH > 650110 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.1788 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.1788 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 2 8 1 0 5 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -2.4799 2.2472 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042245 > ALDRICH > 652997 > - > - > - > - > 16270155 $$$$ 20 20 0 0 0 0 0 0 0 0 1 V2000 -0.8882 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8882 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1738 -1.8548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5407 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5407 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1738 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2527 -0.2062 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1738 0.6173 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0 -0.9988 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1738 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9988 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7132 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1422 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7132 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4277 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1422 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5407 1.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2552 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9697 1.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 6 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 12 9 1 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 15 11 1 0 0 0 16 15 1 0 0 0 17 16 1 0 0 0 18 10 1 0 0 0 19 18 1 0 0 0 20 19 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD11044865 > ALDRICH > 698601 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 4.8189 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8189 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3385 -3.7562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8582 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8582 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3385 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3760 -2.5573 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3760 -3.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7781 -3.7552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 4 8 1 0 0 0 0 1 2 2 0 0 0 0 8 9 3 0 0 0 0 G 8 4 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 7 M SMT 1 CN M SBV 1 7 -0.5200 0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06797501 > ALDRICH > 697109 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 2 8 1 0 5 9 1 0 1 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03412208 > ALDRICH > 697087 > - > - > - > - > 16270155 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 1.8697 -1.0421 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8697 -0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8697 -1.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1553 -1.5921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4408 -1.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4408 -0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1553 0.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2712 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2712 -1.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9832 -1.1796 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1553 0.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4433 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2687 0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6798 1.5921 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9807 0.4690 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1424 0.1681 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 2 2 0 6 8 1 0 5 9 1 0 9 10 1 0 7 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 1 1 M SMT 1 • HCl M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 13 14 15 16 M SBL 2 1 12 M SMT 2 CF3 M SBV 2 12 -0.7120 0.4111 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00800224 > ALDRICH > 631388 > - > - > - > - > 16270155 $$$$ 16 16 0 0 1 0 0 0 0 0 1 V2000 4.5507 -2.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5507 -3.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0703 -3.4609 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5899 -3.1609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5899 -2.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0703 -2.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1077 -3.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6255 -3.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1077 -4.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0703 -4.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5525 -4.3577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5881 -4.3577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0347 -4.0588 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5168 -4.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0347 -3.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5525 -3.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 7 1 1 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 3 10 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 G 10 3 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 10 11 12 13 14 15 16 M SBL 1 1 4 M SDI 1 4 4.8600 -3.8500 5.2700 -3.8500 M SMT 1 Boc M SBV 1 4 0.0000 0.6000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09265050 > ALDRICH > 670286 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 3.9737 -4.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9737 -3.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0563 -2.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1388 -3.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1388 -4.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0563 -5.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0563 -1.3688 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2213 -5.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4713 -5.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 8 1 0 0 0 0 3 7 1 0 0 0 0 1 2 2 0 0 0 0 8 9 3 0 0 0 0 G 8 5 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 6 M SMT 1 CN M SBV 1 6 -1.0900 0.6200 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06009833 > ALDRICH > 673544 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7112 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7112 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.8251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7127 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7127 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 0.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 0.8251 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 -0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6024 -0.8246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 1 7 1 0 4 8 1 0 8 9 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 8 M SMT 1 CN M SBV 1 8 -3.3502 3.0596 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00234144 > ALDRICH > 641359 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 5.3106 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3106 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8302 -3.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3498 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3498 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8302 -2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7928 -2.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8676 -2.5594 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00661305 > ALDRICH > 691836 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.2339 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 5 8 1 0 8 9 1 0 8 10 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01927100 > ALDRICH > 646989 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.2375 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 3 8 1 0 0 0 5 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07368400 > ALDRICH > 654078 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.3585 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.2354 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2354 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.0007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 1 8 1 0 0 0 2 9 1 0 0 0 9 10 1 0 0 0 9 11 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07369746 > ALDRICH > 651958 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 4 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00234028 > ALDRICH > 652733 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 1 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03095201 > ALDRICH > 652598 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 2 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01646116 > ALDRICH > 552844 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 4 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00234058 > ALDRICH > 651435 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 1 2 2 0 0 0 0 8 9 1 0 0 0 0 G 8 5 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 7 M SMT 1 OCH3 M SBV 1 7 -0.7100 -0.4100 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01570896 > ALDRICH > 653004 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.7022 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7022 -6.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -7.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1312 -6.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1312 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -5.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8432 -5.5847 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 -7.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 2 8 1 0 0 0 0 1 2 2 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06254388 > ALDRICH > 642967 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.1788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 -1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 5 7 1 0 4 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 -0.7120 0.4111 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09753488 > ALDRICH > 686972 > - > - > - > - > 16270155 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -2.1409 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -1.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8529 -1.4416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 9 13 1 0 0 0 13 14 2 0 0 0 13 15 1 0 0 0 2 16 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06410017 > ALDRICH > 654574 > - > - > - > - > 16270155 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.7120 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8529 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 1 8 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 9 1 0 0 0 12 15 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > F______06684 > FLUKA > 06684 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.7145 -1.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.7499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.7485 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 3 7 1 0 0 0 7 8 2 0 0 0 5 9 1 0 0 0 1 10 1 0 0 0 7 11 1 0 0 0 11 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 1 11 M SMT 1 OCH3 M SBV 1 11 -6.3631 7.8114 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04038391 > ALDRICH > 649481 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.4402 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 4 8 1 0 6 9 1 0 9 10 2 0 9 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00052830 > ALDRICH > 649457 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 1 V2000 0.8241 0.4724 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4138 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0.8241 -0.9552 0.0000 C 0 0 0 0 0 0 0 0 0 2.0690 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6552 0.4724 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4138 -1.6690 0.0000 N 0 0 0 0 0 0 0 0 0 3.3103 1.9103 0.0000 N 0 0 0 0 0 0 0 0 0 -1.6552 -0.9552 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9000 -1.6690 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 4 7 3 0 0 0 5 8 2 0 0 0 8 9 1 0 0 0 6 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00084941 > ALDRICH > 510734 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 1 V2000 -0.2759 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0.9586 0.0793 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5172 0.0793 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2724 2.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0.9586 -1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5172 -1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2690 3.6655 0.0000 N 0 0 0 0 0 0 0 0 0 -0.2759 -2.0724 0.0000 N 0 0 0 0 0 0 0 0 0 2.1966 -2.0759 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 4 7 3 0 0 0 5 8 2 0 0 0 5 9 1 0 0 0 6 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00174318 > ALDRICH > 548227 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.3585 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.0291 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0305 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3560 0.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.6195 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 6 8 1 0 8 9 2 0 8 10 1 0 M CHG 2 8 1 10 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 8 9 10 M SBL 1 1 8 M SMT 1 NO2 M SBV 1 8 -3.2994 2.6977 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00661454 > ALDRICH > 557390 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 5.9750 -7.0958 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9750 -5.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -4.6250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2583 -5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2583 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9708 -8.1875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 2 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 4 2 1 0 0 0 0 1 8 1 0 0 0 0 M CHG 2 1 1 8 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00047425 > ALDRICH > 232408 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.3583 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -1.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -1.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 0.4167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 7 2 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 2 4 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863240 > ALDRICH > 512745 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.3583 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -0.8208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 7 1 0 0 0 0 6 8 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00234007 > ALDRICH > 553751 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 4 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006245 > ALDRICH > 116335 > FLUKA > 25250 > - > - > 16270155 $$$$ 7 7 0 0 0 1 V2000 0.8828 -0.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0.8655 0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3552 -1.2345 0.0000 N 0 0 0 0 0 0 0 0 0 2.1483 -1.2172 0.0000 I 0 0 0 0 0 0 0 0 0 -0.3552 1.6276 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5897 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5897 0.9138 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 5 7 2 0 0 0 6 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00464928 > ALDRICH > 558761 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.5089 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5089 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 -1.1803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 0.4683 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -1.1788 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 0.4683 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8099 1.1803 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5089 0.0572 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -0.2437 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 4 8 1 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 G 9 1 CCl3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 6 M SMT 1 CCl3 M SBV 1 6 0.7100 -0.4200 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03701543 > ALDRICH > 560022 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.2083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.2083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 1.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 10 2 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04039921 > ALDRICH > 572470 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 11 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 4 2 0 0 0 0 10 3 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01861975 > ALDRICH > 574880 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 4.5835 -2.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5835 -3.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1031 -3.7021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6227 -3.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6227 -2.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1031 -2.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1424 -2.5021 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.1400 -3.6974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6578 -3.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 4 8 1 0 0 0 0 1 2 2 0 0 0 0 8 9 1 0 0 0 0 G 8 4 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 7 M SMT 1 OCH3 M SBV 1 7 -0.5100 0.2900 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03095349 > ALDRICH > 687413 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.4083 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 4 3 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03427660 > ALDRICH > 576786 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.2877 -2.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2877 -3.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8074 -3.3183 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3270 -3.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 -2.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8074 -2.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -2.1183 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 -3.3183 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8032 -4.0891 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 4 8 1 0 0 0 0 3 9 1 0 0 0 0 M CHG 2 3 1 9 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09265108 > ALDRICH > 677833 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 4 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01861983 > ALDRICH > 647403 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 1 V2000 -0.8138 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0.4276 -0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0552 -0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8138 1.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0.4276 -1.6586 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0552 -1.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0.4103 2.6379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8138 -2.3759 0.0000 N 0 0 0 0 0 0 0 0 0 1.6655 -2.3759 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 5 9 1 0 0 0 6 8 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02093951 > ALDRICH > 557404 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 4.7179 -4.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7179 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -4.9749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7571 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7571 -4.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -3.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2766 -4.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2766 -5.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7944 -4.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2749 -3.7761 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 7 9 2 0 0 0 0 5 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01646325 > ALDRICH > 680052 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.0773 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0773 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5969 -3.7562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1165 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1165 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5969 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6343 -3.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5594 -2.5573 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6343 -2.5573 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6343 -1.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1521 -2.8562 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 1 8 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 G 9 5 NO2 M CHG 2 9 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 6 M SMT 1 NO2 M SBV 1 6 -0.5200 -0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00114884 > ALDRICH > 679747 > - > - > - > - > 16270155 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 5.2250 -6.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -6.9875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -7.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7958 -5.3500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7958 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5083 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -6.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 6 1 0 0 0 0 5 4 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 5 2 0 0 0 0 9 5 1 0 0 0 0 7 3 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012829 > ALDRICH > C70223 > FLUKA > 26300 > - > - > 16270155 $$$$ 9 9 0 0 0 1 V2000 0.8241 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4103 0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0.8241 -1.2724 0.0000 C 0 0 0 0 0 0 0 0 0 2.0655 0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6517 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4103 -1.9897 0.0000 N 0 0 0 0 0 0 0 0 0 3.3069 1.5966 0.0000 N 0 0 0 0 0 0 0 0 0 -1.6517 -1.2724 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8966 0.8759 0.0000 Br 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 4 7 3 0 0 0 5 8 2 0 0 0 5 9 1 0 0 0 6 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00174363 > ALDRICH > 574422 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 4.7638 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7638 -3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 -3.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7780 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7822 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -2.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8146 -2.2260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 -3.7156 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7927 -4.0251 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9739 -4.2250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5990 -3.2061 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 4 9 1 0 0 0 0 1 2 2 0 0 0 0 7 8 3 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 G 7 5 CN G 9 4 CF3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 2 7 8 M SBL 1 1 2 M SDI 1 4 6.1900 -2.7400 6.0500 -2.4800 M SMT 1 CN M SBV 1 2 -0.5200 -0.2900 M SAL 2 4 9 10 11 12 M SBL 2 1 3 M SDI 2 4 6.0300 -3.7300 6.1800 -3.4800 M SMT 2 CF3 M SBV 2 3 -0.5100 0.3100 M SDS EXP 2 1 2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08741366 > ALDRICH > 686964 > - > - > - > - > 16270155 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 1.6575 -0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6575 -1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1771 -1.5083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6967 -1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6967 -0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1771 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1397 -0.3094 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1397 -1.5073 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 -0.3094 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 -1.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1771 0.2896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 -2.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7323 -1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 5 9 1 0 0 0 0 4 10 1 0 0 0 0 6 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012101 > ALDRICH > 225622 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 6 8 1 0 3 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006313 > ALDRICH > 135925 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7132 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 2 1 0 4 7 1 0 2 8 1 0 5 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00043007 > ALDRICH > 384275 > FLUKA > 91400 > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 6 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006324 > ALDRICH > A46803 > FLUKA > 07530 > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0098 -0.8193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -0.8193 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -0.8193 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0098 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 2 4 1 0 3 5 1 0 6 8 1 0 2 7 1 0 3 8 2 0 6 7 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006244 > ALDRICH > D73707 > FLUKA > 36400 > - > - > 16270155 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 7.7250 -6.5833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 -6.5833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -6.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2208 -5.3292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -6.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -6.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 10 1 0 0 0 0 10 8 2 0 0 0 0 9 4 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012818 > FLUKA > 25262 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2339 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04114370 > ALDRICH > 706701 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.6045 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6045 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1755 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1755 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 -1.2339 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8925 0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6045 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 10 M SMT 1 OCH3 M SBV 1 10 -5.4324 4.6693 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07367915 > ALDRICH > 706892 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.4416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4402 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.4416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 6 8 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00204232 > ALDRICH > 707309 > - > - > - > - > 16270155 $$$$ 20 20 0 0 0 0 0 0 0 0 1 V2000 -2.3724 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3724 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -0.2070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9435 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9435 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0844 1.4416 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.2315 -0.2055 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0 -0.2315 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2315 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1974 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9119 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6555 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0844 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1974 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9119 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 1 7 1 0 0 0 4 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 12 9 1 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 15 11 1 0 0 0 16 15 1 0 0 0 17 16 1 0 0 0 18 10 1 0 0 0 19 18 1 0 0 0 20 19 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD10699138 > ALDRICH > 704830 > - > - > - > - > 16270155 $$$$ 20 20 0 0 0 0 0 0 0 0 1 V2000 0.7697 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 -0.2070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0577 -0.2055 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0 2.9107 -0.2055 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0577 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0577 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7673 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6567 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3712 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0857 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4817 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1962 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9107 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6567 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3712 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0857 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 2 7 1 0 0 0 4 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 7 11 1 0 0 0 12 9 1 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 15 11 1 0 0 0 16 15 1 0 0 0 17 16 1 0 0 0 18 10 1 0 0 0 19 18 1 0 0 0 20 19 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD11706981 > ALDRICH > 704865 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 2 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00023417 > ALDRICH > 706361 > - > - > - > - > 16270155 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.4139 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0142 -0.8421 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 7 10 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00052182 > ALDRICH > 704040 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.4416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4402 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 6 9 1 0 8 9 2 0 9 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01646069 > ALDRICH > 703990 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 5.4948 -2.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9752 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9752 -3.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4948 -4.0729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0144 -3.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0144 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4948 -2.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5322 -2.8740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 6 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00234072 > ALDRICH > 704490 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2339 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4132 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0705 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.0021 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 1 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 9 10 2 0 0 0 9 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 9 M SMT 1 NO2 M SBV 1 9 -6.1323 5.0710 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02070020 > ALDRICH > 705918 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.6135 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0939 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0939 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6135 -3.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1332 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1332 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5761 -2.5760 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 -3.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2489 -3.7740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 8 1 0 0 0 0 2 7 1 0 0 0 0 1 2 2 0 0 0 0 8 9 3 0 0 0 0 G 8 5 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 6 M SMT 1 CN M SBV 1 6 -0.5300 0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08741371 > ALDRICH > 703982 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.4969 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9773 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9773 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4969 -4.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0165 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0165 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5343 -4.0740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4969 -2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 -2.2771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 1 2 2 0 0 0 0 8 9 3 0 0 0 0 G 8 1 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 7 M SMT 1 CN M SBV 1 7 0.0000 -0.6000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09027299 > ALDRICH > 704016 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 5 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09056782 > ALDRICH > 704857 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 5 7 1 0 4 8 1 0 1 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00204157 > ALDRICH > 706817 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 5 8 1 0 6 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00673152 > ALDRICH > 708135 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2346 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 1 7 1 0 6 8 1 0 4 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00234955 > ALDRICH > 708143 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.4416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4402 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 4 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04039311 > ALDRICH > 689297 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0729 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.4111 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 7 5 1 0 8 7 1 0 7 9 2 0 1 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03086033 > ALDRICH > 703893 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.7132 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -1.4416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -1.4416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -1.4402 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7107 1.4416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 6 8 1 0 4 9 1 0 8 10 1 0 8 11 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00052639 > ALDRICH > 708712 > - > - > - > - > 16270155 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 6.3469 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8273 -3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8273 -3.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3469 -4.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8665 -3.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8665 -3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3861 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9057 -3.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3861 -2.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3843 -4.2073 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3094 -3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3094 -2.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7898 -2.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 -2.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 -3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7898 -3.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 -2.1104 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 7 9 2 0 0 0 0 5 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD11656158 > ALDRICH > 687030 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4125 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 5 8 1 0 6 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08060939 > ALDRICH > 704008 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.8615 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3418 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3418 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8615 -4.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3811 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3811 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9007 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8989 -4.0740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9007 -2.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4197 -3.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -3.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 10 7 1 0 0 0 0 5 8 1 0 0 0 0 7 9 2 0 0 0 0 1 2 2 0 0 0 0 10 11 1 0 0 0 0 G 10 7 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 7 M SMT 1 OCH3 M SBV 1 7 -0.5100 0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03095072 > ALDRICH > 701904 > - > - > - > - > 16270155 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 5.0865 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0865 -4.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6061 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6061 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1767 -3.9604 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1257 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6453 -3.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1257 -2.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0865 -2.2771 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4885 -2.2771 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0865 -1.6792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 -2.2771 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 1 11 1 0 0 0 0 8 6 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 G 11 1 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 11 12 13 14 M SBL 1 1 5 M SMT 1 CF3 M SBV 1 5 0.0000 -0.6000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08458125 > ALDRICH > 700622 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.8323 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3127 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3127 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8323 -4.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3519 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3519 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8697 -4.0156 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8323 -2.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7949 -4.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8697 -2.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2718 -2.8177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 3 9 1 0 0 0 0 6 10 1 0 0 0 0 1 2 2 0 0 0 0 10 11 3 0 0 0 0 G 10 6 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 9 M SMT 1 CN M SBV 1 9 -0.5100 -0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00051676 > ALDRICH > 700606 > - > - > - > - > 16270155 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.6486 -0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 -0.3585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 -0.3585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 -0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0596 -1.0705 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 7 2 0 9 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01318953 > ALDRICH > 690066 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 5.7573 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2377 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2377 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7573 -3.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2769 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2769 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7199 -2.5760 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7947 -2.5760 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03412222 > ALDRICH > 703923 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.8460 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8460 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3656 -4.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3656 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3282 -4.0740 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4031 -4.0740 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4031 -2.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4031 -2.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9227 -3.1760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03230010 > ALDRICH > 702145 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 5.7823 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2627 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2627 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7823 -4.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3019 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3019 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8725 -3.9604 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7449 -4.0740 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7823 -2.2771 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1844 -2.2771 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7823 -1.6792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3802 -2.2771 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 3 8 1 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 G 9 1 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 6 M SMT 1 CF3 M SBV 1 6 0.0000 -0.6000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042246 > ALDRICH > 700649 > - > - > - > - > 16270155 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 5.5198 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0002 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0002 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5198 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0394 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0394 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5572 -3.9990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5572 -2.8010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4824 -2.8010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5198 -2.2021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9219 -2.2021 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5198 -1.6042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1177 -2.2021 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 1 10 1 0 0 0 0 2 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 G 10 1 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 10 11 12 13 M SBL 1 1 6 M SMT 1 CF3 M SBV 1 6 0.0000 -0.6000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03840199 > ALDRICH > 701033 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 5.1648 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1648 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 -3.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2040 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2040 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 -2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6469 -3.7573 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7218 -3.7573 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7218 -2.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1239 -2.5594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 1 2 2 0 0 0 0 9 10 3 0 0 0 0 G 9 5 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 8 M SMT 1 CN M SBV 1 8 -0.5200 -0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03411341 > ALDRICH > 703079 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.0291 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0305 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3560 0.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.6195 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 6 8 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 8 9 10 M SBL 1 1 8 M SMT 1 NO2 M SBV 1 8 -5.0396 4.1157 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03701383 > ALDRICH > 689610 > - > - > - > - > 16270155 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.4416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4402 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 6 9 1 0 8 9 2 0 9 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06651557 > ALDRICH > 689734 > - > - > - > - > 16270155 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 5.5564 -3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5564 -3.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 -4.1521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5957 -3.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5957 -3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 -2.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1135 -4.1510 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5582 -2.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5939 -2.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0386 -4.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5564 -4.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 11 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 1 2 2 0 0 0 0 11 12 1 0 0 0 0 G 11 2 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 1 6 M SMT 1 OCH3 M SBV 1 6 0.5200 0.2900 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00173928 > ALDRICH > 700614 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.2189 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2189 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7385 -3.7562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2582 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2582 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7385 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7760 -3.7552 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7760 -2.5573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7011 -2.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 1 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03427656 > ALDRICH > 701882 > - > - > - > - > 16270155 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 5.0085 -2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0085 -3.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5281 -3.4604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0477 -3.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0477 -2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5281 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5674 -3.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0870 -3.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5674 -4.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4907 -2.2615 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1917 -2.7793 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9729 -1.9625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7897 -1.7436 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 10 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 7 9 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 G 10 1 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 10 11 12 13 M SBL 1 1 4 M SMT 1 CF3 M SBV 1 4 0.5200 -0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04113632 > ALDRICH > 700630 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.0043 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0043 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5240 -3.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0436 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0436 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5240 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5632 -3.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4865 -2.5760 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.5632 -2.5750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5632 -1.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0810 -2.8740 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 9 5 1 0 0 0 0 1 8 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 G 9 5 NO2 M CHG 2 9 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 6 M SMT 1 NO2 M SBV 1 6 -0.5200 -0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09743049 > ALDRICH > 701459 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.5969 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0773 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0773 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5969 -3.7562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1165 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1165 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5594 -3.7552 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6343 -3.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2322 -3.7552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 5 8 1 0 0 0 0 1 2 2 0 0 0 0 8 9 3 0 0 0 0 G 8 5 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 7 M SMT 1 CN M SBV 1 7 -0.5200 0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09263323 > ALDRICH > 704024 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.0127 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0127 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5323 -4.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0519 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0519 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5323 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4949 -4.0573 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5697 -4.0573 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5697 -2.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0893 -3.1594 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5697 -2.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD11656165 > ALDRICH > 699276 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.8439 -3.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8439 -3.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3635 -4.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8832 -3.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8832 -3.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3635 -3.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4028 -4.2062 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3635 -2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8457 -2.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8814 -2.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3992 -2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 1 2 2 0 0 0 0 10 11 1 0 0 0 0 G 10 8 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 9 M SMT 1 OCH3 M SBV 1 9 -0.5100 -0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD11656063 > ALDRICH > 697869 > - > - > - > - > 16270155 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00234014 > ALDRICH > 705462 > - > - > - > - > 16270155 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.5835 -2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5835 -3.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1031 -3.4604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6227 -3.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6227 -2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1031 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1424 -3.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0657 -3.4594 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1424 -4.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 -3.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1798 -3.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 10 7 1 0 0 0 0 2 8 1 0 0 0 0 7 9 2 0 0 0 0 1 2 2 0 0 0 0 10 11 1 0 0 0 0 G 10 7 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 7 M SMT 1 OCH3 M SBV 1 7 -0.5100 -0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD11110421 > ALDRICH > 697842 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.3552 -2.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 -2.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 -3.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3552 -3.7729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8748 -3.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8748 -2.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3926 -2.5740 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.3926 -3.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9906 -3.7719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 1 2 2 0 0 0 0 8 9 3 0 0 0 0 G 8 5 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 6 M SMT 1 CN M SBV 1 6 -0.5200 0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02683288 > ALDRICH > 703966 > - > - > - > - > 16270155 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.6094 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0898 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0898 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6094 -3.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1290 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1290 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6468 -3.6990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6468 -2.5010 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.5719 -2.5010 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 2 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06659000 > ALDRICH > 704032 > - > - > - > - > 16270155 $$$$