5 5 0 0 0 0 0 0 0 0 1 V2000 -0.0000 -0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.1498 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 2 0 4 5 1 0 5 1 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005213 > ALDRICH > P75903 > FLUKA > 83310 > - > - > 16268490 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.3285 1.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1535 1.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4073 1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7391 0.6014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 1.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7379 -0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0229 -0.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0217 -1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6934 -1.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 -1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 -0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 6 4 1 0 7 6 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012324 > ALDRICH > 302406 > - > - > - > - > 16268490 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0863 -0.4693 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7537 0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 0.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3262 0.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5812 0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2956 0.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 -0.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7123 1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2956 0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0863 -1.5972 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 5 6 1 0 5 7 1 0 3 8 1 0 3 9 1 0 1 10 1 0 M CHG 2 1 1 10 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010542 > ALDRICH > 244007 > - > - > - > - > 16268490 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.1694 -1.2753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2431 -0.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 -0.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8369 -0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -0.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0814 -1.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5513 -0.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4202 -1.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5513 0.6593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3138 1.3738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 1 0 2 6 1 0 2 7 1 0 5 8 1 0 5 9 1 0 3 10 1 0 10 11 1 0 10 12 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00041846 > ALDRICH > 392650 > - > - > - > - > 16268490 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 0.3933 0.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6626 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 -0.6385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4316 0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4491 -0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4491 -0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 2 0 4 6 1 0 2 7 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005215 > ALDRICH > 151327 > - > - > - > - > 16268490 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.2750 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.9708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 -0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 5 4 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00173861 > ALDRICH > 556815 > - > - > - > - > 16268490 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -0.7917 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0708 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 -1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8042 0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 -0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3708 0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 6 5 2 0 0 0 0 15 14 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863559 > ALDRICH > 494127 > - > - > - > - > 16268490 $$$$ 5 5 0 0 0 0 0 0 0 0 1 V2000 -0.0000 -0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005213 > ALDRICH > 377112 > FLUKA > 83310 > - > - > 16268490 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.7552 1.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0246 0.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 -0.0326 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3101 0.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0697 1.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0012 -0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0246 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 -1.2443 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 1 0 4 6 1 0 4 7 1 0 3 8 1 0 M CHG 2 3 1 8 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005279 > ALDRICH > 194581 > - > - > - > - > 16268490 $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 -0.3923 -0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2751 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0202 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8048 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0597 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0597 -0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 2 6 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00128806 > ALDRICH > 381055 > - > - > - > - > 16268490 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.8028 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0535 -0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3834 -1.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2814 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0222 0.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0647 -0.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0647 1.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3527 0.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 2 0 0 0 4 6 2 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 7 8 M SBL 1 1 7 M SMT 1 ^OCH3 M SBV 1 7 -5.6796 3.7057 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00071564 > ALDRICH > 360864 > - > - > - > - > 16268490 $$$$