11 12 0 0 0 0 0 0 0 0 1 V2000 4.7543 -3.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7543 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 -3.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7936 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7936 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3642 -3.8229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7169 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3642 -2.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 -2.1396 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5490 -2.2834 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 9 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09263258 > ALDRICH > 699497 > - > - > - > - > 16270055 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.3492 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -1.0799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.2549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 6 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075825 > ALDRICH > 511617 > FLUKA > 26258 > SIGMA > C6128 > 16270055 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.3492 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -1.0799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.2549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 6 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075825 > ALDRICH > 26260 > FLUKA > 26258 > SIGMA > C6128 > 16270055 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -1.8225 0.1289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8225 -0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -1.1086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3936 -0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3936 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3911 -0.9510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -0.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3911 0.3838 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 1.3635 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5345 -1.1072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1055 -1.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5345 -1.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -0.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 6 10 1 0 2 11 1 0 12 7 1 0 13 12 1 0 14 13 1 0 13 15 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01321350 > ALDRICH > 478563 > - > - > - > - > 16270055 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.3492 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -1.0799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.2549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 6 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075825 > ALDRICH > 161179 > FLUKA > 26258 > SIGMA > C6128 > 16270055 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.4045 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4045 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0244 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0244 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8091 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8091 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 6 11 2 0 1 12 1 0 2 13 2 0 3 14 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005581 > ALDRICH > C71807 > - > - > - > - > 16270055 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -0.9932 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -1.0785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 0.2564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 -1.2346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 6 10 1 0 2 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075252 > ALDRICH > 109789 > - > - > - > - > 16270055 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -0.9932 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -1.0785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 0.2564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 -1.2346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 6 10 1 0 2 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075252 > ALDRICH > 342300 > - > - > - > - > 16270055 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -0.2792 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4333 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4333 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 0.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 -1.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -1.2375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 7 9 2 0 0 0 0 4 5 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03093927 > ALDRICH > 535125 > - > - > - > - > 16270055 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 4.7559 -3.0396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7559 -3.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2755 -3.9396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7951 -3.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7951 -3.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2755 -2.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3658 -3.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7184 -3.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3658 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2755 -2.1417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01686865 > ALDRICH > 699489 > - > - > - > - > 16270055 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 5.0168 -3.0396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 -3.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5365 -3.9396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0561 -3.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0561 -3.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5365 -2.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6267 -3.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9794 -3.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6267 -2.8542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5365 -2.1417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 -3.9385 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02183557 > ALDRICH > 680060 > - > - > - > - > 16270055 $$$$ 43 46 0 0 1 0 0 0 0 0 1 V2000 6.7292 -8.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -8.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -8.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3666 -5.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3676 -5.9375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7045 -6.4263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9021 -7.2064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7855 -7.2096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0393 -6.4246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8236 -6.1688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2713 -7.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2791 -7.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -7.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5833 -4.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5833 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -5.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -3.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -4.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -4.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -2.7958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -5.1708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.8708 -5.4500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.8718 -6.2750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2087 -6.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4063 -7.5439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2897 -7.5471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5435 -6.7621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3278 -6.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7755 -8.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7833 -8.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -7.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0875 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0875 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3708 -5.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8708 -4.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3542 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -4.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3708 -3.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3708 -3.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 -5.5083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 21 16 2 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 17 15 1 0 0 0 0 21 19 1 0 0 0 0 9 5 1 0 0 0 0 9 10 1 6 0 0 0 8 11 1 6 0 0 0 7 12 1 1 0 0 0 12 13 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 25 1 0 0 0 0 29 30 1 6 0 0 0 28 31 1 6 0 0 0 27 32 1 1 0 0 0 32 33 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 14 4 1 0 0 0 0 15 14 2 0 0 0 0 16 14 1 0 0 0 0 17 18 2 0 0 0 0 18 4 1 0 0 0 0 34 24 1 0 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 37 38 2 0 0 0 0 38 24 1 0 0 0 0 39 40 2 0 0 0 0 40 35 1 0 0 0 0 41 36 2 0 0 0 0 42 40 1 0 0 0 0 43 41 1 0 0 0 0 37 35 1 0 0 0 0 41 39 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00149351 > ALDRICH > 861863 > - > - > - > - > 16270055 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.9932 -0.2041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -1.4416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -1.2840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 0.0508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 -1.4402 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 1.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9908 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 2 10 1 0 6 11 1 0 11 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06411345 > ALDRICH > 644595 > - > - > - > - > 16270055 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.3492 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -1.0799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.2549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 1.2375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 6 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00022648 > ALDRICH > 104981 > - > - > - > - > 16270055 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -0.2792 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4333 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4333 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 0.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 -1.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 1.2375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 7 9 2 0 0 0 0 2 5 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01321309 > ALDRICH > 475254 > - > - > - > - > 16270055 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -0.9932 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2775 -1.2360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -0.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 -0.0007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2211 -1.0736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7039 -0.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2169 0.2612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 1.2390 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7039 -1.2390 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 7 8 1 0 8 9 2 0 9 4 1 0 5 10 1 0 1 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00077725 > ALDRICH > D73103 > FLUKA > 36390 > - > - > 16270055 $$$$