18 18 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.3567 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 0.0000 -0.8808 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 0.7145 0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0154 -1.5913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 -1.2904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8375 -0.1674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 1.5913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7692 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 1.5913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -0.1674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 -1.2904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0154 -1.5913 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 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 6 11 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 4 15 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 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 ^CF3 M SBV 1 7 -5.3096 4.5175 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 11 12 13 14 M SBL 2 1 11 M SMT 2 CF3 M SBV 2 11 -4.5977 5.7507 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 15 16 17 18 M SBL 3 1 15 M SMT 3 CF3 M SBV 3 15 -3.8857 4.5175 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00054722 > ALDRICH > 424765 > - > - > - > - > 16316012 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.7145 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 0.7678 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0154 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 -0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8375 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 1 0 5 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 ^t-Bu M SBV 1 9 0.7120 0.4111 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000918 > ALDRICH > 191531 > - > - > - > - > 16316012 $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6486 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6486 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6486 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.6457 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 10 1 0 0 0 10 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 3 6 1 0 0 0 6 9 2 0 0 0 9 7 1 0 0 0 7 8 2 0 0 0 8 4 1 0 0 0 11 8 1 0 0 0 7 12 1 0 0 0 9 13 1 0 0 0 6 14 1 0 0 0 10 15 1 0 0 0 2 16 1 0 0 0 1 17 1 0 0 0 5 18 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00014307 > ALDRICH > 248061 > - > - > - > - > 16316012 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.4430 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 1.4402 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 11 1 0 0 0 11 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 3 6 1 0 0 0 6 10 2 0 0 0 10 7 1 0 0 0 7 9 2 0 0 0 9 4 1 0 0 0 8 9 1 0 0 0 8 12 1 0 0 0 5 13 1 0 0 0 13 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010251 > ALDRICH > 246921 > - > - > - > - > 16316012 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 4 8 1 0 0 0 2 9 1 0 0 0 1 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000072 > ALDRICH > 211419 > - > - > - > - > 16316012 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 5 2 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 3 9 1 0 0 0 1 10 1 0 0 0 6 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000070 > ALDRICH > 250104 > - > - > - > - > 16316012 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001001 > ALDRICH > C68105 > - > - > - > - > 16316012 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 1.1679 0.8414 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.4658 0.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1679 2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4658 1.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1264 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1264 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7461 0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9772 -1.2669 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7461 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7461 1.7398 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6188 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7461 -2.2753 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6188 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4658 0.7314 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4658 -1.2669 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 15 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00092630 > ALDRICH > 389811 > - > - > - > - > 16316012 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 1 0 6 5 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 1 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00037117 > ALDRICH > 461776 > - > - > - > - > 16316012 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.2365 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7561 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2757 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2757 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7561 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2365 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7935 -2.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7935 -3.4156 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.7561 -4.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7186 -3.4156 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.7186 -2.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 3 8 1 0 0 0 0 2 9 1 0 0 0 0 1 10 1 0 0 0 0 6 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013525 > ALDRICH > D41651 > - > - > - > - > 16316012 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 5 2 0 0 0 5 7 1 0 0 0 2 8 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012456 > ALDRICH > 319880 > - > - > - > - > 16316012 $$$$ 13 15 0 0 0 0 0 0 0 0 1 V2000 -1.4302 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 -0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 -0.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 0.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6101 0.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2722 1.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 1.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4302 -0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4276 0.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7196 -1.6834 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 6 1 0 4 10 1 0 10 11 2 0 11 12 1 0 12 7 2 0 10 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003809 > ALDRICH > B56005 > - > - > - > - > 16316012 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.0014 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 2 8 1 0 1 9 1 0 8 10 1 0 5 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000901 > ALDRICH > 136980 > - > - > - > - > 16316012 $$$$ 22 23 0 0 0 0 0 0 0 0 1 V2000 6.0909 -3.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3910 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9910 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2910 -3.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9910 -3.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3910 -3.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4910 -3.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 -3.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 -3.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 -3.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 -3.1738 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.8909 -3.1738 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.0909 -2.1346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2910 -2.1346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2910 -4.2130 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0910 -4.2130 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4910 -4.2130 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 -4.2130 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 -2.1346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4910 -2.1346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 7 12 2 0 0 0 0 1 7 1 0 0 0 0 10 13 1 0 0 0 0 4 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000310 > ALDRICH > 101990 > - > - > - > - > 16316012 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.0014 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.0014 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 3 8 1 0 0 0 1 9 1 0 0 0 10 4 1 0 0 0 11 10 1 0 0 0 12 2 1 0 0 0 13 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013681 > ALDRICH > D65607 > - > - > - > - > 16316012 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8832 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8832 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 4 8 1 0 0 0 7 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 7 1 0 0 0 11 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001057 > ALDRICH > D122408 > - > - > - > - > 16316012 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 2.6786 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9785 1.4546 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4664 3.5649 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8908 3.5649 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4912 1.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4912 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1519 2.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1519 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1873 1.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1519 -2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1873 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3803 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4519 -2.9516 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6358 -3.5649 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3055 -2.2030 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9785 1.2802 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009906 > ALDRICH > 263400 > - > - > - > - > 16316012 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.7825 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.4096 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000149 > ALDRICH > B77401 > - > - > - > - > 16316012 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -2.9524 1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9524 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 -0.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3545 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3545 1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 2.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9445 -0.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9445 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2434 -3.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5425 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5425 -0.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2434 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9445 2.0599 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2434 1.3099 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00017910 > ALDRICH > 533645 > - > - > - > - > 16316012 $$$$ 20 21 0 0 0 0 0 0 0 0 1 V2000 0.8236 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0596 1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0596 -1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0596 1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0596 -1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 4 8 1 0 0 0 3 9 1 0 0 0 2 10 1 0 0 0 1 11 1 0 0 0 10 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 10 1 0 0 0 12 17 1 0 0 0 13 18 1 0 0 0 15 19 1 0 0 0 16 20 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000312 > ALDRICH > 196630 > - > - > - > - > 16316012 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 -0.7157 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 0.7692 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0166 -1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 -0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8388 0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8363 0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1372 -0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0142 -1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 7 8 1 0 0 0 2 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 4 13 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 ^CF3 M SBV 1 9 -6.1273 4.1981 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 13 14 15 16 M SBL 2 1 13 M SMT 2 CF3 M SBV 2 13 -4.7033 4.1981 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010306 > ALDRICH > 290149 > - > - > - > - > 16316012 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 -0.7157 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 0.4139 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8363 -0.1116 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1372 -1.2346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0142 -1.5356 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8388 0.1116 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 1.2346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0166 1.5356 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 7 8 1 0 0 0 4 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 1 13 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -4.7033 3.8428 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 13 14 15 16 M SBL 2 1 13 M SMT 2 ^CF3 M SBV 2 13 -6.1273 4.6650 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00799485 > ALDRICH > 465836 > - > - > - > - > 16316012 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.3560 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.4416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 10 11 1 0 9 12 1 0 11 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004043 > ALDRICH > C53205 > - > - > - > - > 16316012 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -3.1772 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1772 1.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8917 1.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6062 1.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6062 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8917 0.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8917 -0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 2.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 3.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 2.6541 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 3 8 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 G 8 3 CH2CH2Br M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 8 9 10 M SBL 1 1 6 M SMT 1 CH2CH2Br M SBV 1 6 0.0000 -0.8300 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00050368 > ALDRICH > 653810 > - > - > - > - > 16316012 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 -0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 1 1 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 2 2 0 0 0 5 13 1 0 0 0 10 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00017954 > ALDRICH > 550450 > - > - > - > - > 16316012 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.1762 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1762 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.4118 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9647 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9647 -1.2354 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 2 7 1 0 0 0 5 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00799543 > ALDRICH > 468371 > - > - > - > - > 16316012 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.1762 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1762 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.4118 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9647 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9647 -1.2354 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 2 7 1 0 0 0 5 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053218 > ALDRICH > 468398 > - > - > - > - > 16316012 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -2.1409 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.4125 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00019036 > ALDRICH > 517690 > - > - > - > - > 16316012 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 5.7396 -3.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0396 -2.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6396 -2.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9396 -3.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6396 -3.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0396 -3.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1396 -3.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8396 -3.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2396 -3.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9396 -3.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2396 -2.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8396 -2.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5396 -3.2010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 7 12 2 0 0 0 0 1 7 1 0 0 0 0 4 13 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011650 > ALDRICH > 553638 > - > - > - > - > 16316012 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4982 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 5 2 0 0 0 5 7 1 0 0 0 2 8 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040934 > ALDRICH > 335762 > - > - > - > - > 16316012 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.7862 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.0298 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 10 11 1 0 0 0 12 11 1 0 0 0 13 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00037737 > ALDRICH > 559318 > - > - > - > - > 16316012 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 4 8 1 0 0 0 1 9 1 0 0 0 7 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000902 > ALDRICH > 126403 > - > - > - > - > 16316012 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.3167 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3958 0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3958 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 -1.2333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3167 1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1083 1.2375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 -2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 4 1 0 0 0 0 12 4 1 0 0 0 0 7 5 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05664303 > ALDRICH > 593389 > - > - > - > - > 16316012 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.7759 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7759 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0614 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0614 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3675 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -0.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1925 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7759 -0.0500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7759 1.1167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 7 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001272 > ALDRICH > 178446 > - > - > - > - > 16316012 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8529 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 2 1 0 0 0 5 11 1 0 0 0 9 12 1 0 0 0 12 13 1 0 0 0 11 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00228693 > ALDRICH > 649546 > - > - > - > - > 16316012 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.0114 0.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6905 0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6876 0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6905 -0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6876 -0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0114 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0114 1.6187 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.3895 0.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 0.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0114 -1.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 1 3 1 0 2 4 1 0 3 5 2 0 5 6 1 0 1 7 1 0 3 8 1 0 2 9 1 0 6 10 1 0 4 6 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000073 > ALDRICH > B71608 > FLUKA > 17531 > - > - > 16316012 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 1.4882 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4882 -1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0078 -1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5274 -1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5274 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0078 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0470 -1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5666 -1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5666 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0470 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0845 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6023 -0.6521 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.9704 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4526 -0.6521 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 1 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08277010 > ALDRICH > 53658 > - > - > - > - > 16316012 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 0.7033 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1217 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5342 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1217 -0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7033 -0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1158 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9408 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7658 0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5342 -1.2546 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3592 0.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0537 0.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3417 1.2546 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6429 0.1318 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7658 0.4324 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 7 8 3 0 0 0 4 9 1 0 0 0 3 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 11 12 13 14 M SBL 1 1 11 M SMT 1 ^CF3 M SBV 1 11 -4.7828 7.4023 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08458006 > ALDRICH > 672831 > - > - > - > - > 16316012 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -2.0553 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4664 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0553 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2332 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2332 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2332 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6443 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2332 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4664 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 10 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00019028 > ALDRICH > 637769 > - > - > - > - > 16316012 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.2062 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0284 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 2 0 0 0 2 6 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004220 > FLUKA > 36935 > - > - > - > - > 16316012 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.7849 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.4416 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 12 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039396 > ALDRICH > 529982 > - > - > - > - > 16316012 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.0015 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4023 1.4167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4023 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4023 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7004 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7004 -1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4023 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4023 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 4 5 1 0 2 5 1 0 6 7 2 0 2 7 1 0 1 8 1 0 3 9 2 0 3 10 1 0 8 11 2 0 11 12 1 0 6 9 1 0 10 12 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004042 > ALDRICH > C54201 > - > - > - > - > 16316012 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.0014 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2361 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4736 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2361 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4139 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2389 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6514 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2389 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4139 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 1.0705 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4736 -0.3560 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 2 2 0 0 0 1 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 1 1 0 0 0 8 13 1 0 0 0 10 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00051716 > ALDRICH > 367583 > - > - > - > - > 16316012 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.0015 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4023 1.4167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4023 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4023 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7004 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7004 -1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4023 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4023 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 4 5 1 0 2 5 1 0 6 7 2 0 2 7 1 0 1 8 1 0 3 9 2 0 3 10 1 0 8 11 2 0 11 12 1 0 6 9 1 0 10 12 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004042 > ALDRICH > 25170 > - > - > - > - > 16316012 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.4266 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5708 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 7 10 1 0 0 0 7 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000940 > ALDRICH > 246506 > FLUKA > 25200 > - > - > 16316012 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.7837 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 1.8534 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 -1.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3597 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 3 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00061113 > ALDRICH > 646350 > - > - > - > - > 16316012 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 1.1270 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 1.2354 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 1 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00052339 > ALDRICH > 411205 > - > - > - > - > 16316012 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.2417 1.4708 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 -0.4583 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -2.2083 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 -0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 -0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1583 1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1292 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 6 2 0 0 0 0 5 4 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 12 1 1 0 0 0 0 7 4 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01862961 > ALDRICH > 16467 > - > - > - > - > 16316012 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.4238 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 1.2362 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 10 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003876 > ALDRICH > 238139 > FLUKA > 57910 > - > - > 16316012 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -2.1386 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1386 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7147 -0.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7147 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1386 1.4424 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 7 12 1 0 10 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000100 > ALDRICH > 281999 > FLUKA > 16479 > - > - > 16316012 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -2.1386 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1386 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7147 -0.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7147 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1386 1.4424 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 7 12 1 0 10 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000100 > ALDRICH > 16480 > FLUKA > 16479 > - > - > 16316012 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.3537 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3511 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3537 -0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0357 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3423 1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7634 -1.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 1.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0471 1.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0586 -1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7519 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4653 -1.4238 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.4653 1.4238 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 0.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 1 4 1 0 2 5 2 0 2 6 1 0 7 11 1 0 8 9 1 0 6 9 2 0 3 10 1 0 4 11 2 0 7 12 1 0 8 13 1 0 7 10 2 0 8 14 2 0 5 14 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000101 > ALDRICH > 229237 > FLUKA > 34030 > - > - > 16316012 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7019 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7019 1.2176 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 -0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7019 -1.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 -1.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4038 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4038 -0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 2 4 1 0 5 8 2 0 2 6 2 0 1 7 2 0 3 8 1 0 3 9 2 0 7 10 1 0 9 11 1 0 5 6 1 0 10 11 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003873 > ALDRICH > 196657 > FLUKA > 47120 > - > - > 16316012 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 1.0705 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 1 1 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 2 2 0 0 0 12 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000065 > ALDRICH > 252247 > FLUKA > 16477 > - > - > 16316012 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.4238 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 1.2362 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 10 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003868 > ALDRICH > 17640 > - > - > - > - > 16316012 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.4238 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 1.2362 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 10 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003868 > ALDRICH > B73104 > - > - > - > - > 16316012 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 1.0705 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 1.1788 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4815 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 t-B^u M SBV 1 8 -6.1298 4.1294 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000108 > ALDRICH > 253928 > FLUKA > 16547 > - > - > 16316012 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.4238 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 1.2362 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 10 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003874 > ALDRICH > 185752 > FLUKA > 25320 > - > - > 16316012 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -2.1386 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1386 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4224 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1386 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 9 11 1 0 11 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004123 > ALDRICH > 143677 > FLUKA > 17617 > - > - > 16316012 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6486 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6486 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 11 1 0 0 0 11 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 3 6 1 0 0 0 6 10 2 0 0 0 10 7 1 0 0 0 7 9 2 0 0 0 9 4 1 0 0 0 8 9 1 0 0 0 6 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00051473 > ALDRICH > 537195 > - > - > - > - > 16316012 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 2.0582 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -2.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -2.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 1 0 3 9 1 0 9 10 1 0 9 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00018885 > ALDRICH > 563277 > - > - > - > - > 16316012 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.7805 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7805 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7805 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 9 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004051 > ALDRICH > 183644 > FLUKA > 17660 > - > - > 16316012 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000257 > ALDRICH > B77207 > FLUKA > 79020 > - > - > 16316012 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.7805 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7805 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 1.2362 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7805 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 10 11 1 0 9 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003871 > ALDRICH > 124109 > FLUKA > 03787 > - > - > 16316012 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.7120 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 -0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.7678 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0179 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 2 1 0 0 0 8 7 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000180 > ALDRICH > 270768 > FLUKA > 19665 > - > - > 16316012 $$$$ 22 23 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4139 1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 -1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4139 -1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 -1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 -1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 1 1 0 0 0 2 8 1 0 0 0 8 21 2 0 0 0 21 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 2 2 0 0 0 3 12 1 0 0 0 4 13 1 0 0 0 5 14 1 0 0 0 6 15 1 0 0 0 7 16 1 0 0 0 8 17 1 0 0 0 11 18 1 0 0 0 10 19 1 0 0 0 9 20 1 0 0 0 21 22 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000292 > ALDRICH > D227 > FLUKA > 77244 > - > - > 16316012 $$$$ 28 29 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.2346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5009 1.6219 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2978 1.4084 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -1.5395 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5009 -1.6219 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 -1.6219 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.5395 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 1.6219 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.5395 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 5 11 1 0 6 12 1 0 6 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010626 > FLUKA > 77264 > - > - > - > - > 16316012 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 5.3061 -6.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3061 -7.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0194 -7.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7339 -7.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7339 -6.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0194 -6.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0194 -5.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7327 -4.9016 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.5841 -7.8072 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0119 -8.5276 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8637 -8.2308 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1605 -7.0868 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4543 -7.8031 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1765 -8.2234 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0339 -8.5211 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8780 -7.0826 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 2 9 1 0 0 0 0 4 13 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 G 9 2 CF3 G 13 4 CF3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 9 10 11 12 M SBL 1 1 2 M SDI 1 4 4.7100 -7.4800 4.9200 -7.8300 M SMT 1 CF3 M SBV 1 2 0.7200 0.4300 M SAL 2 4 13 14 15 16 M SBL 2 1 3 M SDI 2 4 7.1000 -7.8300 7.3100 -7.4800 M SMT 2 CF3 M SBV 2 3 -0.7200 0.4300 M SDS EXP 2 1 2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009905 > ALDRICH > 263397 > FLUKA > 15214 > - > - > 16316012 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 0.3424 0.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3223 1.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3767 1.4124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0528 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 1.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0528 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3337 -1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7489 0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -1.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 -0.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7462 1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7462 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 2 4 1 0 1 5 1 0 2 6 1 0 3 7 2 0 3 8 1 0 5 9 2 0 8 10 2 0 7 11 1 0 9 12 1 0 10 13 1 0 6 12 2 0 11 13 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000317 > ALDRICH > 102741 > FLUKA > 46835 > - > - > 16316012 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.6500 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 1.0705 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 3 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 7 2 0 0 0 11 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000082 > ALDRICH > 255386 > - > - > - > - > 16316012 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3486 0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3705 -0.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3415 0.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0605 0.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3631 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7653 1.2248 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0532 -0.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0532 -1.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7653 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 4 5 2 0 2 5 1 0 3 6 2 0 4 7 1 0 4 6 1 0 1 8 1 0 8 9 1 0 8 10 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 8 9 10 M SBL 1 1 8 M SMT 1 ^i-Pr M SBV 1 8 0.7046 0.4068 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039159 > FLUKA > 09371 > - > - > - > - > 16316012 $$$$ 18 18 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.4096 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4111 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0611 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0611 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4139 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4139 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 8 7 1 0 0 0 9 1 1 0 0 0 10 9 1 0 0 0 3 11 1 0 0 0 12 11 1 0 0 0 13 6 1 0 0 0 14 13 1 0 0 0 15 4 1 0 0 0 16 15 1 0 0 0 17 2 1 0 0 0 18 17 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00182539 > ALDRICH > 388459 > - > - > - > - > 16316012 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 1 11 1 0 0 0 9 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00238580 > ALDRICH > 690171 > - > - > - > - > 16316012 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.1762 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1762 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.4118 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9647 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9647 -1.2354 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 2 7 1 0 0 0 5 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00094165 > ALDRICH > 455113 > - > - > - > - > 16316012 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -0.7157 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 -0.4139 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 0.4139 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 4 1 0 0 0 1 9 1 0 0 0 2 10 1 0 0 0 9 11 1 0 0 0 10 12 1 0 0 0 8 13 1 0 0 0 7 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009664 > ALDRICH > 236616 > - > - > - > - > 16316012 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 4.9445 -2.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4236 -3.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4211 -3.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9002 -4.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8977 -4.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3819 -3.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3844 -3.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9052 -2.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9077 -2.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4286 -1.9254 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 -4.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 -3.7167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.9394 -4.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4603 -3.7298 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 2 9 2 0 0 0 0 10 11 1 0 0 0 0 9 10 1 0 0 0 0 12 13 1 0 0 0 0 6 12 1 0 0 0 0 14 15 1 0 0 0 0 3 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00192554 > ALDRICH > 388467 > - > - > - > - > 16316012 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6471 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 10 11 1 0 0 0 7 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003872 > ALDRICH > B72604 > - > - > - > - > 16316012 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3560 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 1 0 3 9 1 0 4 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000910 > ALDRICH > D150606 > - > - > - > - > 16316012 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 0.8236 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8832 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8832 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 8 1 0 0 0 11 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000349 > ALDRICH > D102407 > - > - > - > - > 16316012 $$$$ 11 11 0 0 0 1 V2000 -1.5382 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5382 1.5382 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2076 -0.7784 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8726 -0.7784 0.0000 C 0 0 3 0 0 0 0 0 0 -0.2076 2.3129 0.0000 C 0 0 0 0 0 0 0 0 0 1.1268 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8726 -2.3129 0.0000 C 0 0 0 0 0 0 0 0 0 -4.2069 -0.0259 0.0000 C 0 0 0 0 0 0 0 0 0 1.1268 1.5382 0.0000 C 0 0 0 0 0 0 0 0 0 2.4611 2.3129 0.0000 C 0 0 0 0 0 0 0 0 0 3.7881 1.5382 0.0000 Br 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 6 9 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03427264 > ALDRICH > 563285 > - > - > - > - > 16316012 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 5.4573 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0573 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3573 -3.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9573 -3.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2573 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9573 -2.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3573 -2.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1573 -2.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5573 -2.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2573 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5573 -3.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1573 -3.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4562 -4.2103 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.0573 -2.1337 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 2 1 0 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 1 1 0 0 0 0 12 13 1 0 0 0 0 7 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00093707 > ALDRICH > 697885 > - > - > - > - > 16316012 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 1 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 2 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00021590 > ALDRICH > 690074 > - > - > - > - > 16316012 $$$$