11 11 0 0 0 0 0 0 0 0 1 V2000 2.8950 -5.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -6.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3229 -6.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3229 -5.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -7.3432 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6018 -4.0415 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3958 -3.8208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -3.8208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5958 -3.2125 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 1 6 1 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 1 2 2 0 0 0 0 8 9 1 0 0 0 0 2 3 1 0 0 0 0 8 10 1 0 0 0 0 3 4 2 0 0 0 0 8 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000627 > ALDRICH > C26402 > FLUKA > 23720 > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3367 0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0501 0.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3338 0.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3367 1.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3367 -0.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0501 -0.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3338 -0.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3824 -1.6143 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0501 -0.8121 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 1 3 1 0 1 4 1 0 5 7 1 0 2 6 1 0 3 7 2 0 5 6 2 0 8 5 1 0 9 7 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000556 > ALDRICH > 161365 > FLUKA > 36560 > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0113 0.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 0.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6819 0.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3952 0.3996 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3952 0.3996 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0113 1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0113 -1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6819 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 1 3 1 0 2 4 1 0 3 5 1 0 1 6 1 0 7 9 1 0 2 8 1 0 3 9 2 0 7 8 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000576 > ALDRICH > D76005 > FLUKA > 36550 > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3723 0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3723 0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3609 -0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0628 -0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 -1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0628 -0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3609 -0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 1.4066 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0628 0.2463 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 5 6 1 0 4 6 2 0 3 7 1 0 5 7 2 0 1 8 1 0 9 3 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000173 > ALDRICH > 187070 > FLUKA > 16456 > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.1784 -6.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1784 -6.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -7.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6021 -6.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6021 -6.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -5.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -4.9047 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -8.2022 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7139 -8.2022 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -9.0244 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0695 -8.2022 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 3 8 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 G 8 3 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 5 M SDI 1 4 5.6800 -7.9200 6.0900 -7.9200 M SMT 1 CF3 M SBV 1 5 0.0000 0.8300 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000398 > ALDRICH > 152692 > FLUKA > 16412 > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8307 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6905 -0.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 -0.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6905 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 1.8307 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 1 3 1 0 1 4 2 0 1 5 1 0 4 6 1 0 5 7 2 0 8 9 1 0 2 9 1 0 2 6 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000179 > ALDRICH > 112186 > FLUKA > 16460 > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 1.2761 0.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5773 0.0841 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0614 2.1875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4908 2.1875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 0.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 -1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3883 -2.1595 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 -2.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5773 0.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5773 -1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001041 > ALDRICH > 220035 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 3 8 1 0 0 0 2 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040827 > ALDRICH > 337013 > - > - > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.4139 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 4 8 1 0 0 0 3 9 1 0 0 0 7 10 1 0 0 0 6 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00061208 > ALDRICH > 449407 > - > - > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.1825 -4.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1825 -5.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -5.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6062 -5.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6062 -4.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -6.5481 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7180 -6.5481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -7.3703 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0736 -6.5481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -4.0667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 4 5 1 0 0 0 0 5 11 1 0 0 0 0 G 7 3 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 7 8 9 10 M SBL 1 1 3 M SDI 1 4 4.6900 -6.2700 5.1000 -6.2700 M SMT 1 CF3 M SBV 1 3 0.0000 0.8200 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000380 > ALDRICH > B59004 > FLUKA > 16410 > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 2 9 1 0 0 0 4 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00055467 > ALDRICH > 477559 > - > - > - > - > 16316009 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 0.7145 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0582 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.0582 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 1 9 1 0 0 0 3 10 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 10 11 12 13 M SBL 1 1 10 M SMT 1 CF3 M SBV 1 10 -3.7655 3.8192 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00221020 > ALDRICH > 655996 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.5913 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.7678 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.5913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 1.2904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 0.1674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 3 7 1 0 0 0 2 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -4.0698 4.8497 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00018093 > ALDRICH > 365750 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 1.2346 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 3 8 1 0 0 0 1 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013528 > ALDRICH > 329681 > - > - > - > - > 16316009 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -0.7132 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 1.8550 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 0.6202 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 -1.0298 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.8550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 -1.0298 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 0.6202 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 5 9 1 0 4 10 1 0 3 11 1 0 2 12 1 0 1 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000299 > ALDRICH > 101052 > FLUKA > 17910 > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7120 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 6 7 1 0 5 8 1 0 7 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000566 > ALDRICH > 252255 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 2 1 0 0 0 8 7 1 0 0 0 1 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00236046 > ALDRICH > 634603 > - > - > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.1788 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 -4.4258 4.4386 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000373 > ALDRICH > B58806 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 2 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00143162 > ALDRICH > 635154 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8234 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2361 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 3 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040865 > ALDRICH > 448079 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.5913 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.7678 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 1.5913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.2904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 0.1674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -4.4258 4.8497 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00070812 > ALDRICH > 549010 > - > - > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.6181 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.4417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3560 -1.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0681 -1.8528 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 4 8 1 0 0 0 0 3 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 G 9 3 NO2 M CHG 2 9 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 7 M SMT 1 NO2 M SBV 1 7 0.0000 0.8300 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02683043 > ALDRICH > 643963 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 4 8 1 0 3 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00079759 > ALDRICH > 646334 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 6 8 1 0 5 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00142922 > ALDRICH > 646342 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 5 8 1 0 3 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013709 > ALDRICH > 643068 > - > - > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.2346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.0029 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 4 8 1 0 0 0 7 9 1 0 0 0 6 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191346 > ALDRICH > 559954 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.1788 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.4683 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 1 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -4.0698 4.4386 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010308 > ALDRICH > 306088 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 4 8 1 0 0 0 2 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000332 > ALDRICH > 133892 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.3667 -0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0572 -1.4239 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3267 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4869 1.4239 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 -1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3267 1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3267 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 -0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 2 0 5 7 1 0 6 9 2 0 4 7 1 0 2 8 2 0 4 9 1 0 6 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000176 > ALDRICH > 187062 > FLUKA > 16457 > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0685 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3581 1.4424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 0.2076 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 5 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000893 > ALDRICH > 194255 > FLUKA > 23830 > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0685 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3581 1.4424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 0.2076 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 5 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000893 > ALDRICH > 241180 > FLUKA > 23830 > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0700 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 1.4424 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.4424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 4 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000597 > ALDRICH > 136727 > FLUKA > 23820 > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0025 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 2 8 1 0 8 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000324 > ALDRICH > 209511 > - > - > - > - > 16316009 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 1.9321 1.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2296 0.7133 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 2.8252 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1457 2.8252 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7413 0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7413 -0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 1.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0444 -1.5334 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 -1.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 3.0723 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9321 0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 -3.0723 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9321 -0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2296 1.5277 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2296 -1.5334 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 15 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000375 > ALDRICH > O2706 > FLUKA > 77297 > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 5 8 1 0 2 9 1 0 3 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06200719 > ALDRICH > 639028 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7117 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 0.4138 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -1.2362 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 5 8 1 0 2 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000343 > ALDRICH > 283495 > FLUKA > 17105 > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.1053 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1053 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6104 -3.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1155 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1155 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6104 -2.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6189 -2.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6189 -3.7406 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6002 -3.7416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 4 8 1 0 0 0 0 2 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000571 > ALDRICH > 247707 > - > - > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.1788 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 1.1803 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8794 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 -0.2437 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 CCl3 M SBV 1 8 -3.5020 4.4816 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000787 > ALDRICH > 146285 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.0136 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0136 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5188 -3.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0239 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0239 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5188 -2.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5272 -2.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5272 -3.7406 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5103 -3.7406 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 4 8 1 0 0 0 0 2 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000572 > ALDRICH > 247693 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.4139 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 7 8 1 0 0 0 4 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000898 > ALDRICH > 193496 > - > - > - > - > 16316009 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6567 1.5380 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4817 1.5380 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 0.4111 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 1 8 1 0 0 0 2 9 1 0 0 0 3 10 1 0 0 0 4 11 1 0 0 0 5 12 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00153184 > ALDRICH > 548111 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.5913 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.7678 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.5913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 1.2904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 0.1674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 3 7 1 0 0 0 2 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -4.0698 4.8497 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040938 > ALDRICH > 546577 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 2.0262 -0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0262 -1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5458 -1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0654 -1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0654 -0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5458 -0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5458 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -0.6094 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5084 -1.8073 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 2 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000609 > ALDRICH > D75955 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.1768 0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8912 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8912 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1768 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1768 -1.5458 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8912 1.1347 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 1 8 1 0 0 0 8 9 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 8 M SMT 1 CH2Br M SBV 1 8 -8.4489 5.9372 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00209656 > ALDRICH > 515604 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0000 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 4 8 1 0 3 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075087 > ALDRICH > 337102 > - > - > - > - > 16316009 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0685 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 0.4138 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 5 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000562 > ALDRICH > 111910 > FLUKA > 26530 > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.1825 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1825 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7021 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2217 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2217 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7021 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6647 -3.2927 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7021 -2.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7395 -3.2927 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 6 8 1 0 0 0 0 5 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000570 > ALDRICH > 141224 > - > - > - > - > 16316009 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0700 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.2362 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 4 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000595 > ALDRICH > 138509 > FLUKA > 26540 > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 4.9908 -2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9908 -3.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5104 -3.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 -3.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 -2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5104 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5496 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0693 -2.5604 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.5104 -4.0583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 -3.4594 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 1 0 0 0 0 3 9 1 0 0 0 0 2 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00041363 > ALDRICH > 681997 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.8229 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.6464 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.6464 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.4132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 1.2354 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 5 9 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 12 M SMT 1 CF3 M SBV 1 12 -10.7085 11.1110 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042562 > ALDRICH > 673846 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 4 8 1 0 0 0 1 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000602 > ALDRICH > 262129 > - > - > - > - > 16316009 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 2.6370 1.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3395 0.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3395 -0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 -1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3339 0.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3339 -0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 -1.5305 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000358 > ALDRICH > F15331 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 2 8 1 0 0 0 3 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040940 > ALDRICH > 407089 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.0021 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2354 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000829 > ALDRICH > 251046 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 4 9 1 0 0 0 3 10 1 0 0 0 2 11 1 0 0 0 1 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000298 > ALDRICH > 103977 > - > - > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 1.2346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 3 9 1 0 0 0 1 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010304 > ALDRICH > 290319 > - > - > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 4 8 1 0 0 0 3 9 1 0 0 0 1 10 1 0 0 0 5 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000313 > ALDRICH > 196827 > - > - > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 5.0261 -2.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0261 -3.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5354 -3.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0448 -3.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0448 -2.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5354 -2.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5536 -2.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5536 -3.4670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5354 -4.0548 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5173 -3.4670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 4 8 1 0 0 0 0 3 9 1 0 0 0 0 2 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075194 > ALDRICH > 340472 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 1 8 1 0 0 0 4 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000090 > ALDRICH > 250988 > - > - > - > - > 16316009 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.5356 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 1.2346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 0.1116 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 3 8 1 0 0 0 2 9 1 0 0 0 1 10 1 0 0 0 6 11 1 0 0 0 5 12 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 12 M SMT 1 CF3 M SBV 1 12 -4.9081 5.6103 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075240 > ALDRICH > 341711 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 5 8 1 0 4 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01631506 > ALDRICH > 632899 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 5.6483 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1274 -2.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1274 -3.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6483 -3.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1693 -3.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1693 -2.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6483 -4.0721 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.6093 -3.4703 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6864 -2.2718 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3875 -1.7540 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -1.9728 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9854 -2.7896 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 6 9 1 0 0 0 0 3 8 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 G 9 6 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 5 M SMT 1 CF3 M SBV 1 5 -0.5200 -0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001037 > ALDRICH > 304344 > - > - > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.0029 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 7 8 1 0 0 0 4 9 1 0 0 0 6 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040126 > ALDRICH > 539090 > - > - > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.1788 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 2 7 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 -4.0698 4.4386 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039398 > ALDRICH > 365858 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8234 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2361 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 3 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00019016 > ALDRICH > 427691 > - > - > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 1.2346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 3 8 1 0 0 0 2 9 1 0 0 0 1 10 1 0 0 0 7 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00083528 > ALDRICH > 559431 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7904 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7904 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2488 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2488 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7666 -0.4344 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -2.2312 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 3 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000583 > ALDRICH > 145009 > - > - > - > - > 16316009 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.2346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.1245 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.2995 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 2 8 1 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 10 11 12 13 M SBL 1 1 10 M SMT 1 CF3 M SBV 1 10 -5.5307 7.5195 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00190109 > ALDRICH > 557498 > - > - > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 0.4139 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 4 8 1 0 0 0 7 9 1 0 0 0 1 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00236034 > ALDRICH > 548987 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7133 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 1.8550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 3 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000914 > ALDRICH > 111961 > FLUKA > 23850 > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 4 8 1 0 0 0 2 9 1 0 0 0 3 10 1 0 0 0 7 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00061233 > ALDRICH > 554685 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 4 8 1 0 0 0 1 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00018503 > ALDRICH > 516791 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0025 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 1 0 6 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000340 > ALDRICH > F7504 > - > - > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 0.4139 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 7 8 1 0 0 0 4 9 1 0 0 0 1 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01631419 > ALDRICH > 556319 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.1788 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.1788 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 2 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -4.0698 4.4386 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000582 > ALDRICH > 152250 > - > - > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 0.4139 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 4 8 1 0 0 0 7 9 1 0 0 0 1 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009897 > ALDRICH > 264423 > - > - > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 0.4139 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 4 8 1 0 0 0 7 9 1 0 0 0 2 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011649 > ALDRICH > 264415 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.5913 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.7678 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.5913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 1.2904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 0.1674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 3 7 1 0 0 0 2 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -4.0698 4.8497 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000555 > ALDRICH > 235806 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 2 8 1 0 0 0 4 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001045 > ALDRICH > 288802 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.1788 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.4683 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 1 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -4.0698 4.4386 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013554 > ALDRICH > 540277 > - > - > - > - > 16316009 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0700 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.2362 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 4 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001050 > ALDRICH > 130737 > - > - > - > - > 16316009 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 1.7137 -0.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7137 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2333 -1.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7529 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7529 -0.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2333 -0.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2333 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 -0.6490 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001042 > ALDRICH > I11704 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.1788 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.1788 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 2 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -4.0698 4.4386 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03094041 > ALDRICH > 548995 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 1 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00043898 > ALDRICH > 347299 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 2 8 1 0 0 0 4 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00060651 > ALDRICH > 528889 > - > - > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.3585 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.1788 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.1803 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8794 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.2437 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 8 1 0 0 0 4 7 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000790 > ALDRICH > C25805 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6471 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 4 9 1 0 0 0 3 10 1 0 0 0 2 11 1 0 0 0 1 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000060 > ALDRICH > 249424 > - > - > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 1.0512 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0512 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0904 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0904 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -2.1677 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 -1.5687 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9729 -1.5687 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 -0.9708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1687 -1.5687 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 G 8 6 CCl3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 5 M SMT 1 CCl3 M SBV 1 5 0.0000 -0.6000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000788 > ALDRICH > C25406 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.5913 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.5913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 1.2904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 0.1674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 3 7 1 0 0 0 1 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -4.0698 4.8497 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042498 > ALDRICH > 549029 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.1788 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.4683 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 1 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -4.0698 4.4386 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042493 > ALDRICH > 549096 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 6.2748 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2748 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5603 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8459 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8459 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5603 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5603 -8.0721 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9868 -7.2486 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5603 -4.7779 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3825 -4.7779 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6436 -3.9625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7382 -4.7779 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 2 8 1 0 0 0 0 6 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 G 9 6 CCl3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 6 M SDI 1 4 5.7600 -5.0500 5.3500 -5.0500 M SMT 1 CCl3 M SBV 1 6 0.0000 -0.8300 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00018820 > ALDRICH > 562955 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0700 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 1.4424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.4424 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 4 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000904 > ALDRICH > F7806 > FLUKA > 46821 > - > - > 16316009 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.5913 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.7678 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.8794 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.5913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 1.2904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 0.1674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 3 7 1 0 0 0 2 8 1 0 0 0 1 9 1 0 0 0 5 10 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 10 11 12 13 M SBL 1 1 10 M SMT 1 CF3 M SBV 1 10 -4.0698 4.8497 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00068183 > ALDRICH > 416576 > - > - > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.3560 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.1788 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 3 7 1 0 0 0 6 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 -5.3745 3.2773 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000399 > ALDRICH > 195359 > - > - > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.9286 1.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2264 0.2729 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 2.6851 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1349 1.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1349 -1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2264 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1349 -2.6851 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2264 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010354 > ALDRICH > 283177 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 2 8 1 0 0 0 4 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013551 > ALDRICH > 345040 > - > - > - > - > 16316009 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.3438 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 1.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3438 -0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 -1.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -1.2147 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 2 3 1 0 1 4 1 0 2 5 1 0 6 7 1 0 4 7 2 0 5 6 2 0 8 4 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000339 > ALDRICH > 162329 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 4 8 1 0 0 0 1 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03093903 > ALDRICH > 529087 > - > - > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 1.2761 1.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5773 0.8413 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0614 2.9448 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4908 2.9448 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 -0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 1.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 -1.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5773 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 -2.9448 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5773 -0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000594 > ALDRICH > C26208 > - > - > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 1.2761 1.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5773 0.8413 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0614 2.9448 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4908 2.9448 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 -0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 1.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 -1.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5773 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 -2.9448 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5773 -0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000594 > ALDRICH > 234419 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.7678 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.5913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 1.5913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.2904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 0.1674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 3 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -4.4258 4.8497 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00061243 > ALDRICH > 546984 > - > - > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 3 9 1 0 0 0 2 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009889 > ALDRICH > 264458 > - > - > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.3560 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.4683 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 6 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 -5.3745 3.2773 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000382 > ALDRICH > 219371 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 4 8 1 0 0 0 2 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040828 > ALDRICH > 363847 > - > - > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7120 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.1788 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 6 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 -5.7305 3.2773 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000374 > ALDRICH > 219363 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.1053 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1053 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6104 -3.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1155 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1155 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6104 -2.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6189 -2.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6189 -3.7406 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6019 -2.5761 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 4 8 1 0 0 0 0 1 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00018504 > ALDRICH > 440094 > - > - > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0025 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.0014 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 2 8 1 0 1 9 1 0 8 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000896 > ALDRICH > 218111 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.1788 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.4683 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 1 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -4.0698 4.4386 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000608 > ALDRICH > 246069 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.1788 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.4683 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 1 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -4.0698 4.4386 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040937 > ALDRICH > 546909 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 4 8 1 0 0 0 1 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00017921 > ALDRICH > 365009 > - > - > - > - > 16316009 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 2.0725 1.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3739 0.8413 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.9448 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 2.9448 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8891 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8891 -0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4459 1.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4459 -1.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7809 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4459 -2.9448 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7809 -0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3739 1.8230 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.3739 -1.5762 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 13 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00035985 > ALDRICH > 375489 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 4 8 1 0 0 0 1 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00060664 > ALDRICH > 528897 > - > - > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.0025 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.1788 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 2 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 -0.7120 -0.4111 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000561 > ALDRICH > C26003 > - > - > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0700 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 1.4424 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 0.2076 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.4424 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 5 9 1 0 4 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042488 > ALDRICH > 265314 > FLUKA > 68318 > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0685 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3581 1.8550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 0.6202 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -1.8550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 5 9 1 0 3 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000895 > ALDRICH > 139254 > FLUKA > 35490 > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7117 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 1.4424 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 0.2076 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 0.2076 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 5 9 1 0 1 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000577 > ALDRICH > 100307 > FLUKA > 35480 > - > - > 16316009 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7119 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 -1.6488 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 3 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000109 > ALDRICH > B82200 > FLUKA > 18510 > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.0021 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2354 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000130 > ALDRICH > 123560 > FLUKA > 09350 > - > - > 16316009 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0700 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.2362 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 4 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000085 > ALDRICH > 167215 > FLUKA > 18490 > - > - > 16316009 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0685 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 0.4138 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 5 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000068 > ALDRICH > B82006 > FLUKA > 18481 > - > - > 16316009 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.3309 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.3926 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 1.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3309 -0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -1.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 1 3 1 0 2 4 1 0 1 5 1 0 2 6 1 0 7 8 1 0 5 8 2 0 6 7 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000322 > ALDRICH > F15323 > FLUKA > 47520 > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.4416 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.2070 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.2070 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 5 9 1 0 0 0 1 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000329 > ALDRICH > 264431 > FLUKA > 83141 > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.6471 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 3 7 1 0 0 0 6 8 1 0 0 0 1 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07784420 > ALDRICH > 659312 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 2 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040714 > ALDRICH > 558958 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.2346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 2 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000347 > ALDRICH > 323748 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0685 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3581 1.4424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 0.2076 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 5 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000892 > ALDRICH > F7601 > FLUKA > 46810 > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6486 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 7 6 1 0 3 8 1 0 2 9 1 0 4 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013527 > ALDRICH > 565393 > - > - > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.5913 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 1.5913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.2904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 0.1674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 3 7 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 -4.4258 4.8497 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001049 > ALDRICH > 206563 > - > - > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.1788 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.4683 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 1 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -4.0698 4.4386 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000601 > ALDRICH > 151289 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.6832 1.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0243 1.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 0.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6948 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0301 -0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7004 -0.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 -0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0129 -1.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 6 8 1 0 4 7 1 0 5 8 2 0 6 9 1 0 6 7 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000359 > ALDRICH > 209538 > FLUKA > 46800 > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7133 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 1.8550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 3 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000913 > ALDRICH > F8004 > FLUKA > 46830 > - > - > 16316009 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7119 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 -1.6488 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 3 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001059 > ALDRICH > 206555 > FLUKA > 58110 > - > - > 16316009 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.0115 0.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0115 1.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6991 -0.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 -0.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 1.4180 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6991 1.4411 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4296 0.1975 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4296 0.1975 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0115 -1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 -1.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6991 -1.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 2 0 2 5 1 0 2 6 1 0 4 7 1 0 3 8 1 0 9 10 2 0 4 10 1 0 3 11 2 0 9 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00016349 > ALDRICH > 35246 > - > - > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 1.1803 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8794 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 -0.2437 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 7 8 9 10 M SBL 1 1 7 M SMT 1 CCl3 M SBV 1 7 -6.4453 4.0949 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000786 > ALDRICH > 147893 > FLUKA > 12800 > - > - > 16316009 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.9301 1.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2298 0.4478 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 0.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 -0.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1367 1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1367 -1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2299 0.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2299 -0.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000172 > ALDRICH > B17905 > FLUKA > 13250 > RIEDEL > 64302 > 16316009 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000889 > FLUKA > 13280 > - > - > - > - > 16316009 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7119 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 -1.6488 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 3 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000631 > ALDRICH > 111929 > FLUKA > 26550 > - > - > 16316009 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.1788 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.4683 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 1 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -4.0698 4.4386 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000608 > ALDRICH > D58007 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0700 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 1.4424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.4424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 4 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000905 > ALDRICH > 115886 > FLUKA > 23840 > - > - > 16316009 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000889 > FLUKA > 13270 > - > - > - > - > 16316009 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 4.9981 -2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9981 -3.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5177 -3.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0373 -3.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0373 -2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5177 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5551 -2.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5177 -4.0583 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.4803 -2.2615 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 3 8 1 0 0 0 0 1 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07779015 > ALDRICH > 678880 > - > - > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0700 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 1.8550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.0298 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -1.8550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 9 4 1 0 10 3 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000906 > ALDRICH > 259179 > FLUKA > 35510 > - > - > 16316009 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7117 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7149 1.4424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 0.2076 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 0.2076 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 5 9 1 0 10 1 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000897 > ALDRICH > T56308 > FLUKA > 35500 > - > - > 16316009 $$$$