15 16 0 0 0 0 0 0 0 0 1 V2000 6.2477 -6.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2477 -6.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9622 -7.2521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6766 -6.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6766 -6.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9622 -5.6021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5332 -5.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8188 -6.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8188 -6.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5332 -7.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3886 -7.2506 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3886 -5.6035 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1043 -5.6021 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1022 -4.7761 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3878 -6.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 8 13 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 M CHG 2 13 1 14 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00454905 > A > 638927 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.7125 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 -0.8208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 11 1 0 0 0 0 10 5 1 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 7 2 2 0 0 0 0 6 9 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00839695 > A > 636894 > - > - > - > - $$$$ 23 26 0 0 0 0 0 0 0 0 1 V2000 -2.4777 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4777 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7632 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0487 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0487 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7632 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3343 0.0146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3802 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3802 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3343 1.6646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1675 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1659 0.1695 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6541 0.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4763 0.8379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 -0.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8646 -1.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1176 -2.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9242 -2.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4777 -1.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2246 -0.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1764 -2.9662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 2.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9111 2.9662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 18 21 1 0 0 0 0 11 22 1 0 0 0 0 1 2 1 0 0 0 0 22 23 3 0 0 0 0 G 22 11 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 CN M SBV 1 24 -0.3400 -0.7500 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00398567 > A > 573590 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 0.0171 0.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 -0.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6901 0.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4117 0.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4261 -0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7189 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1451 -0.7978 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1164 0.8491 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7098 -0.8491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4314 -0.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4314 0.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7098 0.8256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1451 -0.8322 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1451 0.8087 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 2 1 0 5 7 1 0 4 8 1 0 2 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 1 1 0 10 13 1 0 11 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00012333 > A > 307149 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.7120 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 2 1 0 2 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 1 1 0 4 11 1 0 11 12 1 0 11 13 2 0 5 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00006726 > A > 108340 > - > - > - > - $$$$ 22 25 0 0 0 0 0 0 0 0 1 V2000 -2.4994 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 4 1 0 9 11 1 0 8 12 1 0 11 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 11 1 0 12 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00014659 > A > 145483 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00043907 > A > 136301 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -2.1409 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.0021 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 1 0 11 13 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00006725 > A > 145998 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 8 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00006723 > A > 144789 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -2.1409 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 1 0 11 13 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00012334 > A > 293407 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00006722 > A > 260517 > - > - > - > - $$$$ 24 27 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 8 12 1 0 2 13 1 0 1 14 1 0 11 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 11 1 0 12 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00006730 > A > 126462 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 7 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00012335 > A > 272310 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 5 2 0 0 0 0 11 6 2 0 0 0 0 12 13 2 0 0 0 0 13 10 1 0 0 0 0 3 4 1 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD02660613 > A > 534218 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -2.1422 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 0.4111 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -0.4111 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 11 12 1 0 8 13 1 0 13 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00006729 > A > B37159 > - > - > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 11 8 1 0 12 11 1 0 13 12 1 0 14 13 1 0 11 15 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00010623 > A > 289051 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 8 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00006720 > A > 144525 > F > 35625 > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00006727 > A > M80202 > F > 66220 > - > - $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00006719 > A > Q1603 > F > 22710 > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 9 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00006728 > A > D184977 > - > - > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 5.8366 -4.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8366 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3562 -5.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8759 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8759 -4.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3562 -4.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3170 -4.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 -4.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3170 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3937 -4.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3937 -5.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2796 -4.0719 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2796 -3.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7618 -4.3708 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 5 11 1 0 0 0 0 4 12 1 0 0 0 0 8 13 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 G 13 8 NO2 M CHG 2 13 1 15 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 13 14 15 M SBL 1 1 12 M SMT 1 NO2 M SBV 1 12 0.5200 -0.3000 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00450194 > A > 657239 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.0509 -2.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0509 -2.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5313 -3.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0116 -2.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0116 -2.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5313 -1.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -3.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0276 -2.7854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0276 -2.1854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -1.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5687 -1.8865 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5687 -1.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0865 -2.1854 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 1 11 1 0 0 0 0 G 11 0 NO2 M CHG 2 11 1 13 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13 M SDI 1 4 -2.4700 -3.4500 -2.4700 -0.9100 M SMT 1 NO2 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269497 > MFCD00462822 > A > 678384 > - > - > - > - $$$$