10 10 0 0 0 0 0 0 0 0 1 V2000 3.0293 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0293 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 -1.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0686 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0686 -0.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5864 -1.2281 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 0.5688 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5121 -0.0266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0299 -0.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 9 10 1 0 0 0 0 G 9 1 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 8 M SMT 1 OCH3 M SBV 1 8 0.5200 -0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02685670 > ALDRICH > 679089 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 6 8 1 0 1 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00233551 > ALDRICH > 653233 > - > - > - > - > 16271203 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.8925 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8925 0.8229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5365 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5365 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2485 1.2339 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2485 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9605 -0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2485 -1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2485 -0.2077 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9605 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 1 11 1 0 0 0 11 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 1 11 M SMT 1 SCH3 M SBV 1 11 -8.5054 3.0150 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00238866 > ALDRICH > 656739 > - > - > - > - > 16271203 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -1.2346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 4 8 1 0 0 0 6 9 1 0 0 0 2 10 1 0 0 0 7 11 2 0 0 0 7 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03001242 > ALDRICH > 656720 > - > - > - > - > 16271203 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.8925 -0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8925 -0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -1.3396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 -0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 -0.1021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 1.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 1.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 1.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6045 0.3090 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8925 -1.1326 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6045 -1.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 1 10 1 0 0 0 4 11 1 0 0 0 11 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 1 11 M SMT 1 SCH3 M SBV 1 11 -4.4841 5.8112 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00173907 > ALDRICH > 661244 > - > - > - > - > 16271203 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 4 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03788197 > ALDRICH > 651753 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 1 8 1 0 5 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006091 > ALDRICH > 122882 > FLUKA > 07470 > - > - > 16271203 $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 7.0392 -4.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5297 -4.7117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0039 -4.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9868 -3.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4954 -3.5084 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0261 -3.7966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4570 -3.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4409 -2.9432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9434 -3.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5690 -4.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4177 -3.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9091 -3.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4928 -4.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2399 -2.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8402 -2.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0119 -2.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5146 -3.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0425 -2.6417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2046 -1.6160 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7 9 1 0 0 0 0 4 7 1 0 0 0 0 1 10 2 0 0 0 0 11 12 1 0 0 0 0 9 11 1 0 0 0 0 4 5 1 0 0 0 0 3 13 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 14 18 1 0 0 0 0 7 8 2 0 0 0 0 5 17 1 0 0 0 0 15 19 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03883530 > ALDRICH > 668095 > - > - > - > - > 16271203 $$$$ 20 21 0 0 0 0 0 0 0 0 1 V2000 1.7867 -2.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7847 -1.2340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -0.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3557 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3577 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0732 -2.4733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 -0.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0732 -1.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3617 -0.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5021 -2.4698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3557 -2.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3518 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 0.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7807 0.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7787 1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0632 1.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3498 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0612 2.4767 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7877 -0.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5021 -1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 1 6 1 0 7 8 1 0 7 9 2 0 4 7 1 0 1 10 2 0 5 11 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 12 17 2 0 16 18 1 0 3 13 1 0 19 8 1 0 20 19 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08276888 > ALDRICH > 668087 > - > - > - > - > 16271203 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.5962 0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5962 1.2056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3107 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0252 1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0252 0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3107 -0.0319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8842 -0.0304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3107 2.4403 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7372 1.6167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7372 2.4388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4492 1.2056 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 G 9 4 O2N M CHG 2 9 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 7 M SMT 1 O2N M SBV 1 7 0.7100 -0.4100 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00127867 > ALDRICH > 658340 > - > - > - > - > 16271203 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 6 5 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191933 > ALDRICH > 387800 > FLUKA > 26562 > - > - > 16271203 $$$$ 16 17 0 0 1 0 0 0 0 0 1 V2000 6.7458 -6.7875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0333 -6.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 -5.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -6.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7458 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -6.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7458 -4.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -5.1375 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.7448 -7.6125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0822 -8.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3362 -8.8832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1612 -8.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4170 -8.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8504 -9.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -9.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 6 2 0 0 0 0 9 5 1 0 0 0 0 6 3 1 0 0 0 0 10 1 1 1 0 0 0 10 11 1 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 6 5 1 0 0 0 0 12 15 1 1 0 0 0 7 2 2 0 0 0 0 15 16 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00074877 > ALDRICH > 327859 > - > - > - > - > 16271203 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006117 > ALDRICH > 219142 > FLUKA > 18298 > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4277 -1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 3 1 0 7 8 1 0 5 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006063 > ALDRICH > T56200 > FLUKA > 91405 > - > - > 16271203 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006060 > ALDRICH > 193291 > FLUKA > 26275 > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.7896 -2.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7896 -2.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 -3.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 -3.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7896 -4.0562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -3.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -3.1562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8270 -4.0552 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7522 -4.0552 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 2 1 0 0 0 0 6 8 1 0 0 0 0 4 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00038015 > ALDRICH > 679070 > - > - > - > - > 16271203 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 4 8 1 0 6 9 1 0 8 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006086 > ALDRICH > 144533 > FLUKA > 35955 > - > - > 16271203 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 5.1283 -7.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8387 -7.6646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5573 -7.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5573 -6.4271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8387 -6.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1283 -6.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4056 -7.6687 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8387 -5.1896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2782 -7.6660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9902 -7.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 5 8 1 0 0 0 0 3 9 1 0 0 0 0 1 2 2 0 0 0 0 9 10 1 0 0 0 0 G 9 3 SCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 8 M SDI 1 4 6.9200 -7.7000 7.1300 -7.3400 M SMT 1 SCH3 M SBV 1 8 -0.7200 0.4100 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006088 > ALDRICH > A46005 > - > - > - > - > 16271203 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.9433 -6.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9433 -7.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6578 -7.6611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3723 -7.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3723 -6.4236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6578 -6.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2313 -7.6596 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6578 -5.1889 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2313 -6.0125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2313 -5.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5193 -6.4236 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 G 9 1 NO2 M CHG 2 9 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 7 M SDI 1 4 5.5600 -5.9600 5.3600 -6.3200 M SMT 1 NO2 M SBV 1 7 0.7200 -0.4100 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006107 > ALDRICH > D69300 > FLUKA > 36080 > - > - > 16271203 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7167 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 6 2 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00194053 > ALDRICH > 548235 > - > - > - > - > 16271203 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 5.3800 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0945 -7.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8089 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8089 -6.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0945 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0945 -5.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5234 -7.6417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6682 -5.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9541 -5.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 4 8 1 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 9 10 3 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00052343 > ALDRICH > 597600 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.1242 -6.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1242 -6.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8387 -7.2562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5532 -6.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5532 -6.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8387 -5.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4122 -5.6077 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -7.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9718 -7.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 4 8 1 0 0 0 0 1 2 2 0 0 0 0 8 9 1 0 0 0 0 G 8 4 OMe M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 7 M SMT 1 OMe M SBV 1 7 -0.7100 0.4100 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04973351 > ALDRICH > 634883 > - > - > - > - > 16271203 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 4 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00014604 > ALDRICH > 651567 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 6 8 1 0 2 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00090472 > ALDRICH > 596728 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3583 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -1.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 6 5 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01646112 > ALDRICH > 595446 > - > - > - > - > 16271203 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 3.9585 -2.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9585 -3.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4781 -3.4021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9977 -3.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9977 -2.5021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4781 -2.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4218 -3.4010 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 3.4407 -2.2031 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.1781 -3.4010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4218 -2.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4218 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7781 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4781 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5156 -3.4010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4214 -2.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 4 14 1 0 0 0 0 14 7 1 0 0 0 0 9 15 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01318957 > ALDRICH > 597066 > - > - > - > - > 16271203 $$$$ 8 8 0 0 0 1 V2000 -1.3414 0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3414 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1034 1.4828 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5793 1.4828 0.0000 Br 0 0 0 0 0 0 0 0 0 -0.1034 -1.3897 0.0000 N 0 0 0 0 0 0 0 0 0 1.1345 0.7655 0.0000 N 0 0 0 0 0 0 0 0 0 1.1345 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 2.3724 -1.3897 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 3 6 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 6 7 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00483232 > ALDRICH > 596949 > FLUKA > 47149 > - > - > 16271203 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.8250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 1 6 2 0 1 7 1 0 4 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00233952 > ALDRICH > 588172 > - > - > - > - > 16271203 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 6 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012341 > ALDRICH > 303526 > - > - > - > - > 16271203 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 5.4002 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4002 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9198 -4.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4394 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4394 -3.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9198 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9572 -4.0531 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9198 -2.2562 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8824 -2.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8824 -4.0531 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00233525 > ALDRICH > 679054 > - > - > - > - > 16271203 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.3572 -0.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.4423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -1.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -1.4409 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 2 1 0 2 7 1 0 5 8 1 0 3 9 1 0 7 10 1 0 9 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006068 > ALDRICH > C36408 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 4 8 1 0 1 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00127818 > ALDRICH > 416762 > - > - > - > - > 16271203 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 1 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01318111 > ALDRICH > 637750 > - > - > - > - > 16271203 $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 3.7892 -3.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2797 -3.4242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 -3.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7368 -2.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2454 -2.2209 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7761 -2.5091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -2.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1909 -1.6557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6934 -2.5668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3190 -3.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1677 -2.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6591 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2428 -3.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9899 -0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5902 -0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7619 -1.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7925 -1.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6241 -0.3184 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7 9 1 0 0 0 0 4 7 1 0 0 0 0 1 10 2 0 0 0 0 11 12 1 0 0 0 0 9 11 1 0 0 0 0 4 5 1 0 0 0 0 3 13 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 14 18 1 0 0 0 0 7 8 2 0 0 0 0 14 19 1 0 0 0 0 5 17 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01919669 > ALDRICH > 668133 > - > - > - > - > 16271203 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 1.4265 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 2 1 0 3 7 1 0 5 8 1 0 4 9 1 0 9 10 1 0 9 11 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02257701 > ALDRICH > 638145 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 3.0388 -0.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0388 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0779 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0779 -0.3334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 -0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 0.5645 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -0.0344 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -1.2323 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00047379 > ALDRICH > 684635 > - > - > - > - > 16271203 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 6 7 2 0 4 8 2 0 1 9 1 0 2 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00049045 > ALDRICH > 424145 > - > - > - > - > 16271203 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 4.7585 -3.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7585 -3.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2781 -4.0146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7977 -3.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7977 -3.1146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2781 -2.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3156 -4.0135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2781 -2.2167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00038021 > ALDRICH > 661325 > - > - > - > - > 16271203 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.8208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 1 2 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 7 2 0 0 0 0 12 7 1 0 0 0 0 13 8 2 0 0 0 0 14 8 1 0 0 0 0 15 14 2 0 0 0 0 16 11 1 0 0 0 0 17 12 2 0 0 0 0 18 13 1 0 0 0 0 19 15 1 0 0 0 0 20 17 1 0 0 0 0 5 4 1 0 0 0 0 19 18 2 0 0 0 0 20 16 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00209572 > ALDRICH > 425591 > - > - > - > - > 16271203 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 4 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006061 > ALDRICH > 143847 > FLUKA > 36418 > - > - > 16271203 $$$$ 9 9 0 0 0 1 V2000 0.1345 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0966 0.1621 0.0000 N 0 0 0 0 0 0 0 0 0 1.3759 0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0.1345 2.3069 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0966 -1.2724 0.0000 C 0 0 0 0 0 0 0 0 0 1.3759 -1.2724 0.0000 C 0 0 0 0 0 0 0 0 0 1.3759 3.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0.1345 -1.9931 0.0000 N 0 0 0 0 0 0 0 0 0 -2.3448 -1.9931 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 4 7 1 0 0 0 5 8 2 0 0 0 5 9 1 0 0 0 6 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00194055 > ALDRICH > 536458 > - > - > - > - > 16271203 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 4.9231 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9231 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4427 -4.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9623 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9623 -3.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4427 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4427 -2.2604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4801 -4.0573 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 4 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00194051 > ALDRICH > 679062 > - > - > - > - > 16271203 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 5.3783 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3783 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8979 -4.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4175 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4175 -3.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8979 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8979 -2.2604 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9353 -4.0573 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8605 -2.8594 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1594 -2.3416 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3783 -3.1583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5615 -3.3772 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 4 8 1 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 G 9 1 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 6 M SMT 1 CF3 M SBV 1 6 0.5200 -0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03426408 > ALDRICH > 684864 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.5450 -5.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5450 -6.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2562 -7.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9717 -6.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9717 -5.8708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2562 -5.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2562 -4.6333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8212 -5.4458 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.6955 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 1 8 1 0 0 0 0 4 9 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00056025 > ALDRICH > 150649 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4139 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 4 7 2 0 1 8 1 0 6 9 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006017 > ALDRICH > 852473 > FLUKA > 18660 > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 3.0455 -0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0455 -0.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5527 -0.9234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0556 -0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0598 -0.0484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5527 0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5651 -0.9516 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5277 0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0164 -0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 1 8 1 0 0 0 0 1 2 2 0 0 0 0 8 9 1 0 0 0 0 G 8 1 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 7 M SDI 1 4 2.7600 0.2900 2.6200 0.0300 M SMT 1 OCH3 M SBV 1 7 0.5200 -0.3000 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08702770 > ALDRICH > 681288 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 1 8 1 0 5 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006090 > ALDRICH > A48601 > FLUKA > 07686 > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.2346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 2 1 0 2 7 1 0 5 8 1 0 3 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006097 > ALDRICH > C33204 > FLUKA > 24250 > - > - > 16271203 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.6720 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0424 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7569 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7569 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0424 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0424 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4689 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4689 -0.2121 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0845 0.7159 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 2 7 2 0 6 8 2 0 4 9 2 0 1 10 1 0 1 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010595 > ALDRICH > 308552 > - > - > - > - > 16271203 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 1 8 1 0 6 9 1 0 2 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006092 > ALDRICH > 205206 > - > - > - > - > 16271203 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.3395 -1.2261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 -0.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3624 -0.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 -0.0172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3624 -0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3395 0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 -1.2261 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3339 1.2261 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 2 0 3 5 1 0 5 6 2 0 3 7 1 0 4 6 1 0 8 6 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006109 > ALDRICH > 145378 > FLUKA > 36420 > - > - > 16271203 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.3395 -1.2261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 -0.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3624 -0.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 -0.0172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3624 -0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3395 0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 -1.2261 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3339 1.2261 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 2 0 3 5 1 0 5 6 2 0 3 7 1 0 4 6 1 0 8 6 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006109 > ALDRICH > 423688 > FLUKA > 36420 > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 6 8 1 0 4 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00023197 > ALDRICH > D66182 > - > - > - > - > 16271203 $$$$ 11 11 0 0 0 1 V2000 0.9276 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4793 0.6552 0.0000 N 0 0 0 0 0 0 0 0 0 1.4207 -0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 1.8517 1.5103 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3966 -0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0.4966 -2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 2.8379 -1.1862 0.0000 I 0 0 0 0 0 0 0 0 0 1.3621 2.8552 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9069 -1.7862 0.0000 N 0 0 0 0 0 0 0 0 0 -2.8138 -0.1897 0.0000 O 0 0 0 0 0 0 0 0 0 -3.3069 1.1517 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 2 0 0 0 5 10 1 0 0 0 10 11 1 0 0 0 6 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00090865 > ALDRICH > 457426 > SIGMA > I8766 > - > - > 16271203 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.4437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 1 8 1 0 4 9 1 0 7 10 1 0 9 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00038016 > ALDRICH > 457418 > - > - > - > - > 16271203 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 1.4265 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 2 7 2 0 0 0 6 8 2 0 0 0 5 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00132885 > ALDRICH > 457442 > - > - > - > - > 16271203 $$$$ 18 19 0 0 1 0 0 0 0 0 1 V2000 4.7701 -5.0096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7701 -5.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4874 -6.2463 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1974 -5.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -5.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4874 -4.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4874 -3.8325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0543 -6.2463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 -7.0708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8099 -7.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0568 -8.3393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8814 -8.3476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1440 -7.5659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3596 -9.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5652 -9.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -8.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 -4.5917 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.9314 -7.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 3 1 1 0 0 0 9 10 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 9 1 0 0 0 0 5 6 1 0 0 0 0 12 14 1 6 0 0 0 6 7 2 0 0 0 0 11 15 1 1 0 0 0 2 8 2 0 0 0 0 15 16 1 0 0 0 0 1 6 1 0 0 0 0 5 17 1 0 0 0 0 13 18 1 6 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006532 > ALDRICH > 852597 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 6 7 2 0 4 8 2 0 1 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006019 > ALDRICH > 224588 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 1.0714 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2979 -1.2205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0858 -0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3525 -0.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3525 0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0858 -1.1775 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 1.2205 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0544 0.4785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 1 3 1 0 1 4 2 0 5 6 2 0 4 6 1 0 5 7 1 0 4 8 1 0 2 5 1 0 6 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006108 > ALDRICH > 217735 > FLUKA > 07690 > - > - > 16271203 $$$$ 9 9 0 0 0 1 V2000 0.8310 0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0.8310 -0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4138 1.3414 0.0000 C 0 0 0 0 0 0 0 0 0 2.0793 1.3414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4138 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 -1.6621 0.6345 0.0000 N 0 0 0 0 0 0 0 0 0 3.3276 0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6621 -0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9069 -1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 4 7 1 0 0 0 5 8 2 0 0 0 8 9 1 0 0 0 6 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00799503 > ALDRICH > 457485 > - > - > - > - > 16271203 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 1.4559 -1.1993 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7062 -0.0110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 -0.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7225 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7369 -0.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0297 -1.2359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4559 -1.2096 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4272 0.4373 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0134 1.2359 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 3 1 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 3 1 0 6 8 1 0 5 9 1 0 4 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006062 > ALDRICH > 246719 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.4125 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 1 7 1 0 6 8 2 0 4 9 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006020 > ALDRICH > 857858 > - > - > - > - > 16271203 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 6.7000 -6.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2708 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 -7.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5583 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -5.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2708 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 -4.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -7.2667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 6 3 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 5 8 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00173661 > ALDRICH > 563846 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 6 8 1 0 1 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03788200 > ALDRICH > 652032 > - > - > - > - > 16271203 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 5.7718 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4863 -7.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2007 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2007 -6.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4863 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7718 -6.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9235 -7.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4863 -4.7958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0515 -7.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 -8.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 5 8 1 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 9 10 1 0 0 0 0 G 9 1 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 8 M SMT 1 OCH3 M SBV 1 8 0.7200 0.4200 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00233535 > ALDRICH > 518646 > - > - > - > - > 16271203 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -0.3560 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.4430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -1.4416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.4416 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.0291 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 2 8 1 0 4 9 1 0 7 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 7 1 0 6 15 1 0 9 16 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006084 > ALDRICH > 144193 > - > - > - > - > 16271203 $$$$ 10 10 0 0 0 1 V2000 -0.9862 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9862 -0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0.2517 1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2621 1.2655 0.0000 Cl 0 0 0 0 0 0 0 0 0 0.2517 -1.5552 0.0000 N 0 0 0 0 0 0 0 0 0 -2.2621 -1.5552 0.0000 C 0 0 0 0 0 0 0 0 0 1.4862 0.5724 0.0000 N 0 0 0 0 0 0 0 0 0 0.2517 2.6966 0.0000 N 0 0 0 0 0 0 0 0 0 1.4862 -0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 2.7621 -1.5552 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 7 9 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191727 > ALDRICH > 391387 > - > - > - > - > 16271203 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3572 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 6 7 2 0 4 8 2 0 2 9 1 0 9 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010095 > ALDRICH > 183946 > - > - > - > - > 16271203 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.7125 0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.4125 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 6 5 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00192229 > ALDRICH > 414182 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 4 8 1 0 2 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006064 > ALDRICH > 144185 > - > - > - > - > 16271203 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0708 0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 2 2 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 9 1 0 0 0 0 6 5 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00218445 > ALDRICH > 546003 > - > - > - > - > 16271203 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00014601 > ALDRICH > 245844 > - > - > - > - > 16271203 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -1.7038 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7038 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9893 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2748 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2748 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9893 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9893 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4158 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4372 -1.2346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4158 -0.0988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 2 8 1 0 0 0 4 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00149407 > ALDRICH > A47028 > FLUKA > 07460 > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.4773 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4773 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9969 -4.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5165 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5165 -3.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9969 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9969 -2.2562 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9594 -2.8552 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9594 -4.0531 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05662363 > ALDRICH > 684643 > - > - > - > - > 16271203 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.7125 0.4125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 5 1 0 0 0 0 5 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191846 > ALDRICH > 414190 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 4 8 1 0 8 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006083 > ALDRICH > 145289 > FLUKA > 96673 > - > - > 16271203 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.7125 0.4125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.8250 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 5 1 0 0 0 0 5 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00192228 > ALDRICH > 415294 > - > - > - > - > 16271203 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 0.0012 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4302 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4302 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -1.2346 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8566 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 0.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 4 8 1 0 8 9 1 0 10 1 1 0 11 10 1 0 12 11 1 0 13 12 1 0 10 14 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006085 > ALDRICH > 145963 > - > - > - > - > 16271203 $$$$ 11 11 0 0 0 1 V2000 -0.2276 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 1.0034 -0.4586 0.0000 N 0 0 0 0 0 0 0 0 0 -1.4724 -0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2207 1.6931 0.0000 C 0 0 3 0 0 0 0 0 0 1.0034 -1.8897 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4724 -1.8897 0.0000 C 0 0 0 0 0 0 0 0 0 1.0276 2.4000 0.0000 F 0 0 0 0 0 0 0 0 0 -1.4552 2.4172 0.0000 F 0 0 0 0 0 0 0 0 0 -0.2103 3.1276 0.0000 F 0 0 0 0 0 0 0 0 0 -0.2276 -2.6069 0.0000 N 0 0 0 0 0 0 0 0 0 2.2414 -2.6103 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 4 7 1 0 0 0 4 8 1 0 0 0 4 9 1 0 0 0 5 10 2 0 0 0 5 11 1 0 0 0 6 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00115111 > ALDRICH > 407070 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 1.2339 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.4132 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 8 1 0 0 0 1 7 1 0 0 0 8 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00489773 > ALDRICH > 705950 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 1.2339 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.4132 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 8 1 0 0 0 1 7 1 0 0 0 8 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00187875 > ALDRICH > 705896 > - > - > - > - > 16271203 $$$$ 20 20 0 0 0 0 0 0 0 0 1 V2000 2.1987 -0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 -1.4430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9107 -1.4416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0577 0.2055 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0 -0.7673 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0577 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0577 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4817 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1962 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9107 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6567 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3712 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0857 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6567 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3712 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0857 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 5 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 12 9 1 0 13 12 1 0 14 13 1 0 15 11 1 0 16 15 1 0 17 16 1 0 18 10 1 0 19 18 1 0 20 19 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07787378 > ALDRICH > 706868 > - > - > - > - > 16271203 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 6 7 1 0 2 8 1 0 1 9 1 0 9 10 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 9 M SMT 1 ^OCH3 M SBV 1 9 0.7120 -0.4111 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00087680 > ALDRICH > 706485 > - > - > - > - > 16271203 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 4.9981 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9981 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5177 -3.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0373 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0373 -2.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5177 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4803 -2.5010 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.5551 -3.6990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 4 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01075666 > ALDRICH > 691844 > - > - > - > - > 16271203 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 4.8314 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8314 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3510 -3.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8707 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8707 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3510 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3885 -3.3990 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9063 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3885 -3.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3136 -2.2010 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 1 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07368228 > ALDRICH > 701955 > - > - > - > - > 16271203 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.7918 -1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 -2.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3115 -2.5729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8311 -2.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8311 -1.6729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3115 -1.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -2.5719 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -1.3740 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.3115 -0.7750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 1 8 1 0 0 0 0 6 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08686978 > ALDRICH > 700975 > - > - > - > - > 16271203 $$$$