16 17 0 0 0 0 0 0 0 0 1 V2000 6.2811 -6.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2811 -7.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5572 -7.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -7.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -6.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5572 -6.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0049 -7.6941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7289 -7.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7289 -6.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0049 -6.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5572 -8.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5572 -5.3181 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.2211 -7.6324 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.7696 -4.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -4.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4005 -5.2717 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 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 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 1 1 0 0 0 0 3 11 1 0 0 0 0 6 12 1 0 0 0 0 4 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006793 > ALDRICH > 114634 > - > - > - > - > 16272066 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 0.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 2 1 0 0 0 0 11 6 1 0 0 0 0 12 13 1 0 0 0 0 13 8 2 0 0 0 0 14 8 1 0 0 0 0 15 7 1 0 0 0 0 6 5 1 0 0 0 0 12 11 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02227041 > ALDRICH > 535656 > - > - > - > - > 16272066 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -0.7120 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.8808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 1.5913 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -0.1674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -1.2904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0179 -1.5913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 10 11 1 0 8 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 13 M SMT 1 CF3 M SBV 1 13 -0.7120 0.4111 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00153105 > ALDRICH > 681946 > - > - > - > - > 16272066 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.3560 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 8 11 1 0 6 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00051764 > ALDRICH > 683914 > - > - > - > - > 16272066 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 4.0293 -3.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0293 -3.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -4.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0686 -3.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0686 -3.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5882 -4.0562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1078 -3.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1078 -3.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5882 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6274 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1470 -3.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6274 -2.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6256 -4.0552 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 11 13 2 0 0 0 0 8 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03030039 > ALDRICH > 688517 > - > - > - > - > 16272066 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 4.2960 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8156 -3.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3352 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3352 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8156 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8549 -3.7562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3745 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3745 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8549 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8923 -3.7552 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8942 -2.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4921 -2.5568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 12 9 1 0 0 0 0 8 11 1 0 0 0 0 1 2 2 0 0 0 0 12 13 3 0 0 0 0 G 12 9 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 12 13 M SBL 1 1 11 M SMT 1 CN M SBV 1 11 -0.5200 -0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08437566 > ALDRICH > 687790 > - > - > - > - > 16272066 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 4.6981 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2177 -3.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7373 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7373 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2177 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2569 -3.7562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7766 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7766 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2569 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2569 -1.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2177 -4.3542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 3 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00272395 > ALDRICH > 697052 > - > - > - > - > 16272066 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 0.6975 -1.2261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 -1.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 -0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3938 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3938 -0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 -0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 1.2261 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 1 5 1 0 3 6 2 0 7 9 1 0 4 8 1 0 5 9 2 0 8 10 2 0 4 7 2 0 6 10 1 0 7 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006773 > ALDRICH > C70509 > FLUKA > 24095 > - > - > 16272066 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.0729 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2361 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 10 11 1 0 0 0 2 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06798120 > ALDRICH > 647381 > - > - > - > - > 16272066 $$$$ 11 12 0 0 0 1 V2000 0.1172 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0.1172 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1862 -1.7759 0.0000 C 0 0 0 0 0 0 0 0 0 1.4207 -1.7759 0.0000 N 0 0 0 0 0 0 0 0 0 -1.1862 1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 1.4207 1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4862 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 2.7207 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4862 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1862 2.7310 0.0000 Cl 0 0 0 0 0 0 0 0 0 2.7207 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 4 8 2 0 0 0 5 9 2 0 0 0 5 10 1 0 0 0 6 11 2 0 0 0 7 9 1 0 0 0 8 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00239413 > ALDRICH > 24098 > - > - > - > - > 16272066 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 6.3042 -5.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 -5.3125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 -6.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9217 -6.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6361 -6.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6361 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9217 -5.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3506 -6.9333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0651 -6.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0651 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3506 -5.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7796 -6.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 -6.5208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012734 > ALDRICH > C57103 > FLUKA > 25115 > - > - > 16272066 $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 -2.8529 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8529 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 -0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 -0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 -0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2511 0.8200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0021 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6068 0.8200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 8 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 2 0 12 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 16 17 18 19 M SBL 1 1 17 M SMT 1 CF3 M SBV 1 17 0.0000 -0.8221 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08705237 > ALDRICH > 648914 > - > - > - > - > 16272066 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 1.6471 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 6 11 1 0 2 12 1 0 3 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006785 > ALDRICH > D41600 > - > - > - > - > 16272066 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.0729 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2361 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 10 11 1 0 0 0 2 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06798120 > ALDRICH > 652903 > - > - > - > - > 16272066 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 5.1968 -6.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1968 -7.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9113 -7.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6257 -7.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6257 -6.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9113 -5.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3402 -7.5815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0547 -7.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0547 -6.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3402 -5.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3402 -5.1065 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4823 -7.5815 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8934 -8.2935 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7703 -7.9926 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0712 -6.8695 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 2 12 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 G 12 2 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 10 M SDI 1 4 4.6100 -7.2600 4.8200 -7.6200 M SMT 1 CF3 M SBV 1 10 0.7200 0.4100 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006775 > ALDRICH > 186023 > - > - > - > - > 16272066 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 0.7125 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -1.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 0.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 5 2 0 0 0 0 10 8 2 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 9 1 0 0 0 0 14 12 1 0 0 0 0 15 14 1 0 0 0 0 16 8 1 0 0 0 0 4 6 1 0 0 0 0 13 12 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00160585 > ALDRICH > 493996 > - > - > - > - > 16272066 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 2.1137 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1529 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1529 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6726 -0.9333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1922 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1922 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6726 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5431 0.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1904 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5431 -0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 -0.9323 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 2 1 0 0 0 0 9 14 1 0 0 0 0 8 15 1 0 0 0 0 14 16 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02049248 > ALDRICH > 683728 > - > - > - > - > 16272066 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 0.1792 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5352 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2497 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2497 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5352 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 -1.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6082 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6082 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9617 -1.1319 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2497 1.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 0.7222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 2 1 0 0 0 5 11 1 0 0 0 10 12 1 0 0 0 12 13 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 12 13 M SBL 1 1 13 M SMT 1 NHNH2 M SBV 1 13 -5.2656 6.5560 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006776 > ALDRICH > 158852 > - > - > - > - > 16272066 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 1 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00079724 > ALDRICH > 649279 > - > - > - > - > 16272066 $$$$ 11 12 0 0 0 1 V2000 0.1103 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0.1103 -0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1345 1.6897 0.0000 C 0 0 0 0 0 0 0 0 0 1.3552 1.6897 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1345 -1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 1.3552 -1.1828 0.0000 N 0 0 0 0 0 0 0 0 0 -2.3586 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 2.6000 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3586 -0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1345 -2.6000 0.0000 Br 0 0 0 0 0 0 0 0 0 2.6000 -0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 4 8 2 0 0 0 5 9 2 0 0 0 5 10 1 0 0 0 6 11 2 0 0 0 7 9 1 0 0 0 8 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191859 > ALDRICH > 384348 > - > - > - > - > 16272066 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 4 1 0 8 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00024024 > ALDRICH > 375098 > - > - > - > - > 16272066 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.7125 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 9 3 1 0 0 0 0 10 6 2 0 0 0 0 11 3 1 0 0 0 0 12 8 1 0 0 0 0 4 7 1 0 0 0 0 8 5 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03427192 > ALDRICH > 557773 > - > - > - > - > 16272066 $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 -1.3737 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3737 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 2.8832 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 -1.2361 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1658 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 -0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1629 -2.0611 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 -2.8832 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4813 -2.0611 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 6 11 1 0 0 0 3 15 1 0 0 0 12 13 2 0 0 0 12 14 2 0 0 0 12 15 1 0 0 0 12 16 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 16 19 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 16 17 18 19 M SBL 1 1 17 M SMT 1 CF3 M SBV 1 17 -6.7178 5.6103 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07369729 > ALDRICH > 648507 > - > - > - > - > 16272066 $$$$ 12 13 0 0 0 1 V2000 0.1690 -0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1483 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 1.5241 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8793 -1.6759 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5345 1.1069 0.0000 N 0 0 0 0 0 0 0 0 0 0.8724 1.6759 0.0000 C 0 0 0 0 0 0 0 0 0 2.5862 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2517 -1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5793 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 2.2517 1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 3.9621 -0.5379 0.0000 Cl 0 0 0 0 0 0 0 0 0 -3.9655 0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 6 10 2 0 0 0 7 11 1 0 0 0 9 12 1 0 0 0 7 10 1 0 0 0 8 9 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00051735 > ALDRICH > 649260 > - > - > - > - > 16272066 $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 -1.9366 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9366 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 1.6471 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0443 -1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2222 -1.5356 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0443 -0.1116 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 10 11 1 0 3 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 8 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 13 M SMT 1 CF3 M SBV 1 13 -3.8647 2.7443 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 16 17 18 19 M SBL 2 1 17 M SMT 2 CF3 M SBV 2 17 -3.1528 3.1553 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075104 > ALDRICH > 337633 > - > - > - > - > 16272066 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 2.1710 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6906 -1.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2103 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2103 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6906 -0.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7299 -1.2313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2495 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2495 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7299 -0.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7299 0.5688 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07644514 > ALDRICH > 693944 > - > - > - > - > 16272066 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.3542 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5042 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 5 2 0 0 0 0 10 8 2 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 9 1 0 0 0 0 14 12 1 0 0 0 0 15 8 1 0 0 0 0 4 6 1 0 0 0 0 13 12 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01912773 > ALDRICH > 535648 > - > - > - > - > 16272066 $$$$ 12 13 0 0 0 1 V2000 -0.1002 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1002 -0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4321 1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 1.2243 1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 1.2243 -1.4951 0.0000 N 0 0 0 0 0 0 0 0 0 -1.4321 -1.4951 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7788 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 2.5525 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 2.5525 -0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7788 -0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1069 1.5953 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.8843 -1.4951 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 4 8 2 0 0 0 5 9 2 0 0 0 6 10 2 0 0 0 7 11 1 0 0 0 9 12 1 0 0 0 7 10 1 0 0 0 8 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03427194 > ALDRICH > 557803 > - > - > - > - > 16272066 $$$$ 12 13 0 0 0 1 V2000 -0.2069 -0.3621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2069 1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4448 -1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 1.0276 -1.0690 0.0000 N 0 0 0 0 0 0 0 0 0 1.0172 1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4448 1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6897 -0.3621 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4379 -2.5069 0.0000 Cl 0 0 0 0 0 0 0 0 0 2.2724 -0.3621 0.0000 C 0 0 0 0 0 0 0 0 0 2.2724 1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6897 1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 3.5138 -1.0690 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 4 9 2 0 0 0 5 10 2 0 0 0 6 11 1 0 0 0 9 12 1 0 0 0 7 11 2 0 0 0 9 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00832077 > ALDRICH > 555614 > - > - > - > - > 16272066 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.0729 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 2 11 1 0 10 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006774 > ALDRICH > 141437 > FLUKA > 35610 > - > - > 16272066 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.0729 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 2 11 1 0 10 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006774 > ALDRICH > D74002 > FLUKA > 35610 > - > - > 16272066 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6471 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6471 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 5 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 4 1 0 11 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00024008 > ALDRICH > 568392 > - > - > - > - > 16272066 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 6 11 1 0 9 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006778 > ALDRICH > 105538 > - > - > - > - > 16272066 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 10 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006742 > ALDRICH > C48805 > FLUKA > 24950 > - > - > 16272066 $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 -1.9366 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9366 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 -0.4139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 2.0611 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2222 -1.1259 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 -0.0029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0443 0.2981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -1.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.2389 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -2.0611 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0443 -1.2389 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 10 11 1 0 8 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 3 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 13 M SMT 1 CF3 M SBV 1 13 -3.1313 2.9634 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 16 17 18 19 M SBL 2 1 17 M SMT 2 CF3 M SBV 2 17 -3.8433 2.5509 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075340 > ALDRICH > 346098 > - > - > - > - > 16272066 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 1.0708 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -0.4667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3583 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -1.2875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0708 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7708 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 2.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.4625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 1.1833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 5 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 1 1 0 0 0 0 11 14 2 0 0 0 0 12 8 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 5 2 0 0 0 0 16 10 2 0 0 0 0 17 11 1 0 0 0 0 18 14 1 0 0 0 0 19 10 1 0 0 0 0 2 4 1 0 0 0 0 12 13 1 0 0 0 0 7 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00792458 > ALDRICH > 531901 > - > - > - > - > 16272066 $$$$ 15 16 0 0 0 1 V2000 0.3000 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0.3000 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9138 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 1.5103 -0.6759 0.0000 N 0 0 0 0 0 0 0 0 0 1.5103 2.1379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9138 2.1379 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1241 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9138 -2.0690 0.0000 C 0 0 3 0 0 0 0 0 0 2.7241 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 2.7241 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 1.5103 3.5276 0.0000 Cl 0 0 0 0 0 0 0 0 0 -2.1241 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1103 -2.7586 0.0000 F 0 0 0 0 0 0 0 0 0 0.2862 -2.7586 0.0000 F 0 0 0 0 0 0 0 0 0 -1.7793 -3.2379 0.0000 F 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 4 9 2 0 0 0 5 10 2 0 0 0 5 11 1 0 0 0 6 12 2 0 0 0 8 13 1 0 0 0 8 14 1 0 0 0 8 15 1 0 0 0 7 12 1 0 0 0 9 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00134578 > ALDRICH > 382264 > - > - > - > - > 16272066 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 1.6471 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 6 7 1 0 4 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 5 1 0 3 12 1 0 2 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006789 > ALDRICH > D123609 > - > - > - > - > 16272066 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006741 > ALDRICH > C70401 > FLUKA > 24090 > - > - > 16272066 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.3583 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -1.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 7 2 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 11 1 0 0 0 0 11 4 2 0 0 0 0 12 5 1 0 0 0 0 5 6 1 0 0 0 0 10 12 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03427166 > ALDRICH > 555622 > - > - > - > - > 16272066 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.6471 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 6 11 1 0 2 12 1 0 3 13 1 0 8 14 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00023984 > ALDRICH > 130532 > SIGMA > D5164 > - > - > 16272066 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.0684 0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0684 -0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 -0.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 -0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0713 -0.8245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 -0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0713 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 -1.6508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 1.6508 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7828 -0.8245 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 1 6 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 5 10 1 0 0 0 3 11 1 0 0 0 6 12 1 0 0 0 2 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006787 > ALDRICH > 24880 > SIGMA > C8133 > - > - > 16272066 $$$$ 13 14 0 0 0 1 V2000 -0.8586 0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8586 -0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0.3828 1.2103 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1000 1.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0.3828 -1.6517 0.0000 N 0 0 0 0 0 0 0 0 0 -2.1000 -1.6517 0.0000 C 0 0 0 0 0 0 0 0 0 1.6207 0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3414 0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 1.6207 -0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3414 -0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 2.8621 1.2103 0.0000 C 0 0 0 0 0 0 0 0 0 2.8621 -1.6517 0.0000 Cl 0 0 0 0 0 0 0 0 0 2.8621 2.6483 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 6 10 2 0 0 0 7 11 1 0 0 0 9 12 1 0 0 0 11 13 2 0 0 0 7 9 2 0 0 0 8 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00130079 > ALDRICH > 390119 > - > - > - > - > 16272066 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 5.9750 -5.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -6.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -7.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5106 -6.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5106 -5.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -5.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7073 -7.2539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4436 -6.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4436 -5.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7073 -5.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -4.8446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -7.9721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 1 1 0 0 0 0 6 11 1 0 0 0 0 3 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006788 > ALDRICH > C47000 > FLUKA > 24849 > - > - > 16272066 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 1.6471 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 6 11 1 0 2 12 1 0 3 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006786 > ALDRICH > D64600 > - > - > - > - > 16272066 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 8 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00024023 > ALDRICH > 697893 > - > - > - > - > 16272066 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006767 > ALDRICH > 124133 > FLUKA > 16610 > - > - > 16272066 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 0.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 6 11 1 0 9 12 1 0 5 13 1 0 13 14 1 0 13 15 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00038080 > ALDRICH > 521612 > - > - > - > - > 16272066 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.2346 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.2361 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 4 11 1 0 6 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00837761 > ALDRICH > 706906 > - > - > - > - > 16272066 $$$$