7 6 0 0 0 0 0 0 0 0 1 V2000 -1.4215 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4215 -0.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -1.0227 0.0000 Cl 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 4 6 2 0 0 0 3 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00021697 > ALDRICH > 24008 > - > - > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.8632 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1621 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4436 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1621 2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0257 -2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7425 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0257 -0.3549 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002818 > ALDRICH > C29835 > FLUKA > 24011 > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.7045 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4091 -0.6102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7045 0.6102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7045 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4091 -0.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7045 0.6102 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053318 > ALDRICH > 16511 > - > - > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.6535 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6535 -3.2995 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004211 > ALDRICH > B78300 > FLUKA > 18170 > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0284 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 4 6 2 0 0 0 3 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004216 > ALDRICH > 147877 > FLUKA > 16510 > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.6173 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 4 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002763 > ALDRICH > 101281 > FLUKA > 18182 > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.6424 -1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7982 -1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 -0.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004408 > ALDRICH > 245925 > FLUKA > 05950 > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.7862 -0.2048 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002817 > ALDRICH > 258083 > FLUKA > 16512 > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004520 > FLUKA > 69785 > - > - > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 2 0 0 0 3 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002585 > ALDRICH > 107360 > FLUKA > 15940 > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 4.1792 -3.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6988 -3.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2184 -3.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 -3.3064 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2576 -3.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7772 -3.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -3.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7772 -2.7085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6988 -2.7085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 6 8 2 0 0 0 0 2 9 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004359 > ALDRICH > T30007 > FLUKA > 88570 > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 2 8 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002700 > SIGMA-ALDRICH > 240745 > FLUKA > 47900 > RIEDEL > 62609 > 16353356 $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 1 4 1 0 0 0 4 5 2 0 0 0 4 6 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001287 > ALDRICH > C116602 > FLUKA > 29890 > - > - > 16353356 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -0.6454 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6535 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 -2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 -0.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004367 > FLUKA > 01730 > - > - > - > - > 16353356 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 4.1988 -3.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7184 -3.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 -3.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7576 -3.3229 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2772 -3.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7969 -3.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3165 -3.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7969 -2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7184 -2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7576 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 6 8 2 0 0 0 0 2 9 2 0 0 0 0 4 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004284 > ALDRICH > M51008 > - > - > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.0039 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 -3.2842 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.1517 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 3.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 3.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1517 -0.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004210 > ALDRICH > 251003 > FLUKA > 17460 > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0284 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 4 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004217 > ALDRICH > 265136 > - > - > - > - > 16353356 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -0.2048 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002678 > ALDRICH > 259357 > - > - > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 2 0 0 0 3 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002585 > ALDRICH > P76209 > FLUKA > 15940 > - > - > 16353356 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3020 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 -1.3305 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3034 -1.3305 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 1 1 0 4 1 1 0 5 4 1 0 4 6 2 0 1 7 1 0 3 8 1 0 3 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001291 > ALDRICH > 209767 > FLUKA > 35940 > - > - > 16353356 $$$$ 8 7 0 0 0 1 V2000 -1.0759 -0.0897 0.0000 C 0 0 3 0 0 0 0 0 0 0.1517 -0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3448 1.1483 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3207 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8103 -1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 1.3897 -0.0897 0.0000 C 0 0 0 0 0 0 0 0 0 2.6172 -0.8069 0.0000 O 0 0 0 0 0 0 0 0 0 1.3897 1.3345 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 2 6 1 0 0 0 6 7 1 0 0 0 6 8 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00059081 > ALDRICH > 55453 > - > - > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.5085 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2097 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8074 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0891 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8074 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6792 -1.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3879 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -2.1217 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004414 > ALDRICH > 158410 > FLUKA > 18673 > - > - > 16353356 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 5.5038 -3.3027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9753 -3.0310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0317 -3.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5038 -4.3634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4474 -3.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9753 -1.9741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0317 -1.9741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 -3.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4474 -4.3634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1231 -2.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 6 0 0 0 2 5 1 0 0 0 0 2 6 1 6 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00071626 > ALDRICH > T400 > FLUKA > 95330 > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -2.1434 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 2 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 6 8 2 0 0 0 2 9 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002784 > ALDRICH > 49360 > - > - > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 2 7 2 0 0 0 3 8 2 0 0 0 5 9 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002592 > FLUKA > 75662 > - > - > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.5688 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8676 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3028 -0.5969 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8676 2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7311 -2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7312 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075444 > ALDRICH > 359483 > FLUKA > 69330 > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -1.2339 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 2 0 0 0 2 6 1 0 0 0 6 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004259 > FLUKA > 17550 > - > - > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.6535 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6535 -3.2995 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004211 > ALDRICH > 241199 > FLUKA > 18170 > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.6535 -0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 0.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 -2.3113 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 -3.3117 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 3.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 -0.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 2 0 0 0 0 2 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004178 > ALDRICH > 252107 > - > - > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.0039 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 -3.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1517 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 3.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 3.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1517 -0.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004242 > ALDRICH > 219835 > FLUKA > 55450 > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0284 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 2 7 2 0 0 0 5 8 2 0 0 0 4 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004225 > FLUKA > 23950 > - > - > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.5094 0.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5094 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5105 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5105 0.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5105 -0.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3793 -0.0149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004459 > ALDRICH > 164976 > FLUKA > 55390 > - > - > 16353356 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 0.5324 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5324 1.5786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4938 -0.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3419 -0.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3419 -1.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4938 -0.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4938 -1.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001323 > ALDRICH > C95609 > FLUKA > 28661 > - > - > 16353356 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -2.1434 -0.9303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.9303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.9303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.9303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 2 8 2 0 0 0 6 9 2 0 0 0 4 10 1 0 0 0 10 11 2 0 0 0 10 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00007949 > ALDRICH > A7753 > - > - > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 1.0708 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5904 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1083 -4.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5904 -4.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -4.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -4.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4772 -4.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00063291 > ALDRICH > 77047 > - > - > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.2044 -1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5053 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -0.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5053 1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3604 -1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5053 -1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3604 -0.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004310 > ALDRICH > 137111 > FLUKA > 02680 > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 1.4842 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 0.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 2 0 0 0 4 6 1 0 0 0 4 7 1 0 0 0 4 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042651 > ALDRICH > 341614 > FLUKA > 92757 > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.0039 -1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1517 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1517 -1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002726 > ALDRICH > 129542 > FLUKA > 59850 > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -2.1434 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 2 8 2 0 0 0 6 9 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004309 > ALDRICH > 143073 > FLUKA > 37080 > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.5085 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2097 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8074 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0891 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8074 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6792 -1.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3879 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -2.1217 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004415 > ALDRICH > 26580 > - > - > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.9938 -3.1208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5134 -2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0312 -3.1198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5134 -2.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4759 -2.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0401 -3.1198 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -3.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6958 -3.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00055490 > FLUKA > 09604 > - > - > - > - > 16353356 $$$$ 11 9 0 0 0 0 0 0 0 0 1 V2000 -2.5834 0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8689 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1545 0.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2745 0.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -0.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2745 1.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8689 -0.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1545 1.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -0.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5834 -1.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 2 8 2 0 0 0 3 9 1 0 0 0 4 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00149286 > ALDRICH > D113204 > - > - > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 1.0572 -0.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3524 -0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 -0.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0543 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0572 0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7591 -0.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7591 -0.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 1 5 2 0 4 6 2 0 1 7 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00014017 > ALDRICH > 18886 > - > - > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 2 8 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002700 > SIGMA-ALDRICH > F19353 > FLUKA > 47900 > RIEDEL > 62609 > 16353356 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 3 7 2 0 0 0 6 8 2 0 0 0 1 9 1 0 0 0 2 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004207 > FLUKA > 34215 > - > - > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.0040 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3029 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1664 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1664 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002669 > ALDRICH > 193070 > FLUKA > 66130 > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.6504 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6504 -3.2842 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 3.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7982 -0.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -3.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 0.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004213 > ALDRICH > B81204 > FLUKA > 16470 > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 2 0 0 0 3 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002573 > ALDRICH > 658537 > FLUKA > 75690 > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 2 0 0 0 3 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002573 > ALDRICH > 194131 > FLUKA > 75690 > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 2 0 0 0 3 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002573 > ALDRICH > 241172 > FLUKA > 75690 > - > - > 16353356 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 4.2323 -3.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 -3.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2490 -3.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7573 -3.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2656 -3.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7740 -3.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2823 -3.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 -2.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7573 -2.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7740 -2.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 8 2 0 0 0 0 4 9 2 0 0 0 0 6 10 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002711 > FLUKA > 00600 > - > - > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 2 6 2 0 0 0 4 7 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002707 > FLUKA > 63290 > SIGMA > M1750 > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0284 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2063 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 2 0 0 0 2 6 1 0 0 0 1 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00021695 > ALDRICH > 36340 > - > - > - > - > 16353356 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -0.6503 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6503 1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5053 -1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5053 -0.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004312 > FLUKA > 50590 > - > - > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 2 6 2 0 0 0 4 7 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002707 > FLUKA > 63301 > SIGMA > M1750 > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.6423 -1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7981 -1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 -0.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004413 > ALDRICH > 110140 > FLUKA > 94533 > SIGMA > V9759 > 16353356 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8957 -0.9673 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8957 -0.9673 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 1 0 4 5 1 0 5 2 1 0 1 6 1 0 3 7 1 0 5 8 2 0 2 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006966 > FLUKA > 69990 > - > - > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.7812 -0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 1.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -1.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7812 0.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002789 > SIGMA-ALDRICH > S3674 > ALDRICH > 239682 > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.7812 -0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 1.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -1.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7812 0.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002789 > SIGMA-ALDRICH > 398055 > ALDRICH > 239682 > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2063 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 4 6 2 0 0 0 3 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00046523 > ALDRICH > C8651 > - > - > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -0.2063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 2 0 0 0 3 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008006 > ALDRICH > O3750 > FLUKA > 75775 > - > - > 16353356 $$$$ 12 9 0 0 0 0 0 0 0 0 1 V2000 -2.1359 -0.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -0.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0075 0.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 0.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -1.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7093 -0.6511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 -0.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1359 -0.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6234 0.6811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3379 1.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 2 0 0 0 3 6 2 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 7 8 9 10 11 12 M SMT 1 • 2H2O M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00149102 > SIGMA-ALDRICH > O0376 > FLUKA > 75702 > - > - > 16353356 $$$$ 12 9 0 0 0 0 0 0 0 0 1 V2000 -2.1359 -0.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -0.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0075 0.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 0.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -1.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7093 -0.6511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 -0.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1359 -0.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6234 0.6811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3379 1.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 2 0 0 0 3 6 2 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 7 8 9 10 11 12 M SMT 1 • 2H2O M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00149102 > SIGMA-ALDRICH > 27725 > FLUKA > 75702 > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.6423 -1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7981 -1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 -0.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004413 > ALDRICH > 240370 > FLUKA > 94533 > SIGMA > V9759 > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002658 > ALDRICH > 537055 > FLUKA > 58370 > SIGMA > I1754 > 16353356 $$$$ 13 11 0 0 0 0 0 0 0 0 1 V2000 6.3167 -5.7542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5792 -6.2292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0917 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -4.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -7.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -7.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -4.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -6.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7000 -5.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9875 -6.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 -6.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 3 2 0 0 0 0 2 7 1 1 0 0 0 1 8 1 6 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00150742 > ALDRICH > 95350 > SIGMA > T3259 > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.3724 0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0714 0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0714 -0.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3295 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0714 1.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0571 -0.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7733 -0.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7733 0.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3295 -1.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 1 3 1 0 1 4 1 0 2 5 2 0 3 6 2 0 2 7 1 0 3 8 1 0 4 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00064212 > SIGMA-ALDRICH > M8304 > ALDRICH > M1210 > FLUKA > 02308 > 16353356 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -1.7874 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.2063 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.2062 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7874 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 0.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 1 8 2 0 0 0 1 9 1 0 0 0 6 10 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039607 > ALDRICH > D5392 > - > - > - > - > 16353356 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8957 -0.9673 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8957 -0.9673 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 1 0 4 5 1 0 5 2 1 0 1 6 1 0 3 7 1 0 5 8 2 0 2 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00063745 > FLUKA > 69980 > - > - > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.0130 -0.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7292 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7149 -0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7377 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4338 -0.5687 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4338 -0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 2 0 3 5 1 0 2 6 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00064237 > ALDRICH > 22995 > - > - > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 4 8 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00066435 > ALDRICH > 75950 > SIGMA > K9250 > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002658 > ALDRICH > 240168 > FLUKA > 58370 > SIGMA > I1754 > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.8236 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2346 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2346 0.3560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 1.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2346 0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 5 7 2 0 0 0 5 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002701 > ALDRICH > 113018 > FLUKA > 28010 > - > - > 16353356 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -0.6535 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6454 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6535 2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 -2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 -0.5969 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002685 > ALDRICH > I6806 > - > - > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 6.3880 -3.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8684 -3.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3488 -3.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -3.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3880 -2.7240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9076 -3.6240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3096 -3.3240 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 4 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00015852 > ALDRICH > 453560 > - > - > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.6535 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6454 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6535 -3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 -1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6454 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 3.2995 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 2 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004195 > ALDRICH > C68539 > - > - > - > - > 16353356 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.3020 0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7206 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7276 -1.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 0.1492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 2 1 0 3 4 1 0 5 1 1 0 6 5 1 0 5 7 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001293 > ALDRICH > 209759 > - > - > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.0012 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -0.6173 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 1 5 1 0 5 6 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002765 > ALDRICH > I10457 > - > - > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.2070 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 0.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -0.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 1 4 1 0 4 5 2 0 4 6 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004363 > ALDRICH > 303666 > - > - > - > - > 16353356 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -0.0012 -0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4137 -0.9746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4113 -0.9746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1268 -0.5596 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 0.5635 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3046 0.8644 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 1 5 1 0 0 0 1 6 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004170 > ALDRICH > 245917 > FLUKA > 77290 > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.5365 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8925 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8925 0.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1805 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 ^OCH3 M SBV 1 4 -4.1691 3.3952 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004308 > ALDRICH > 194557 > FLUKA > 64960 > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.3585 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.6159 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 1 5 2 0 0 0 5 6 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004368 > ALDRICH > 177407 > - > - > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.6535 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6454 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6535 3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6454 -3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 2 0 0 0 0 2 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004194 > ALDRICH > T71803 > FLUKA > 80880 > - > - > 16353356 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 2 0 1 5 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002756 > SIGMA-ALDRICH > 402907 > ALDRICH > 537047 > FLUKA > 81912 > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.2044 -1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5053 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0883 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5053 1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3604 -1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9433 -1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3604 -0.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042654 > ALDRICH > 374547 > FLUKA > 65299 > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.0869 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9406 -0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2261 -0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004168 > ALDRICH > 306851 > FLUKA > 17431 > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 -1.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 0.3560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6457 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6457 0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 1 5 1 0 1 6 1 0 5 7 1 0 3 8 1 0 3 9 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002704 > ALDRICH > 259276 > FLUKA > 77045 > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.0979 -0.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.9747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3311 -0.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8123 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5089 -0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3132 -0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3311 -0.9747 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1353 -0.9747 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 2 3 2 0 0 0 4 2 1 0 0 0 5 1 1 0 0 0 1 6 1 0 0 0 1 7 1 0 0 0 6 8 1 0 0 0 7 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004198 > ALDRICH > 185140 > - > - > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.8441 -0.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4557 0.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7558 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7557 -0.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7558 2.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0557 -0.4896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0557 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7557 -2.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011551 > ALDRICH > 302341 > - > - > - > - > 16353356 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.2762 -0.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2946 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2762 0.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1196 0.4053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1196 -0.4053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1196 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 -0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 -1.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 1.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 3 1 0 5 1 1 0 2 6 1 0 6 7 1 0 7 2 1 0 1 8 2 0 3 9 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013727 > ALDRICH > 343412 > FLUKA > 29915 > - > - > 16353356 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 6.0638 -2.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 -3.2724 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0601 -2.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5852 -3.2660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5497 -3.8724 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9497 -3.8761 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -4.4724 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1497 -3.8687 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0246 -2.9756 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3214 -2.4542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5031 -2.6788 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7278 -3.4971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 1 3 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 G 5 2 CF3 G 9 2 CF3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 5 6 7 8 M SBL 1 1 7 M SMT 1 CF3 M SBV 1 7 0.0000 0.6000 M SAL 2 4 9 10 11 12 M SBL 2 1 1 M SMT 2 CF3 M SBV 2 1 0.5200 -0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00464165 > ALDRICH > 180106 > - > - > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 4 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002814 > ALDRICH > B103500 > FLUKA > 19220 > RIEDEL > 27626 > 16353356 $$$$ 9 7 0 0 0 0 0 0 0 0 1 V2000 -2.2019 0.2062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4874 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7729 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0585 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7729 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4874 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7754 -0.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4899 0.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2019 -0.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 2 0 0 0 2 6 2 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 7 8 9 M SMT 1 • H2O M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00149497 > ALDRICH > G10601 > FLUKA > 50710 > - > - > 16353356 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.1270 -0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2814 -0.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8627 -1.1997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 2 1 0 4 2 1 0 5 4 1 0 4 6 2 0 2 7 1 0 7 8 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 7 8 M SBL 1 1 7 M SMT 1 CN M SBV 1 7 -0.5834 0.5834 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00190651 > ALDRICH > 343390 > - > - > - > - > 16353356 $$$$ 12 9 0 0 0 0 0 0 0 0 1 V2000 -2.1359 -0.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -0.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0075 0.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 0.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -1.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7093 -0.6511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 -0.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1359 -0.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6234 0.6811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3379 1.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 2 0 0 0 3 6 2 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 7 8 9 10 11 12 M SMT 1 • 2H2O M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00149102 > SIGMA-ALDRICH > 247537 > FLUKA > 75702 > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.1976 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4964 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4965 0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1976 -3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4964 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3601 -0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00066864 > ALDRICH > T35203 > FLUKA > 89450 > - > - > 16353356 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.3020 -0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 1 1 0 4 1 1 0 5 4 1 0 4 6 2 0 1 7 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001290 > ALDRICH > 205605 > - > - > - > - > 16353356 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 5.5262 -3.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0458 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5654 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0458 -2.3937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8262 -3.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2262 -3.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0066 -2.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7076 -3.5095 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4888 -2.6927 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3055 -2.4739 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 G 7 1 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 7 8 9 10 M SBL 1 1 4 M SMT 1 CF3 M SBV 1 4 0.5200 -0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08445819 > ALDRICH > 684694 > - > - > - > - > 16353356 $$$$ 12 10 0 0 0 0 0 0 0 0 1 V2000 -1.8498 -0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.8498 0.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8498 -0.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5077 -0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 -0.8193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5077 0.8193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5077 -0.8193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -0.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 1 5 1 0 4 6 1 0 4 7 1 0 4 8 1 0 6 9 1 0 6 10 2 0 6 11 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 1 12 M SMT 1 • H2O M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD10567440 > ALDRICH > 54342 > - > - > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 2 6 2 0 0 0 4 7 2 0 0 0 3 8 1 0 0 0 8 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002668 > FLUKA > 04270 > - > - > - > - > 16353356 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -0.0000 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.9733 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 -0.9733 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2613 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3034 0.8632 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 0.8632 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 2 4 2 0 1 5 1 0 1 6 1 0 8 7 1 0 8 9 1 0 8 10 1 0 1 8 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 7 8 9 10 M SBL 1 1 9 M SMT 1 ^CF3 M SBV 1 9 0.7145 -0.4125 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08146633 > ALDRICH > 694401 > - > - > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7683 -0.9733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0538 -0.9733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 2 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03093764 > ALDRICH > 684686 > - > - > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0299 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 2 0 0 0 2 6 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06247714 > ALDRICH > 694371 > - > - > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 3 7 2 0 0 0 5 8 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00063177 > ALDRICH > M153 > FLUKA > 63180 > - > - > 16353356 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.1245 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2995 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1245 0.0966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.3298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1231 -1.3298 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3009 -1.3298 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 2 1 0 2 4 1 0 4 5 1 0 4 6 2 0 3 7 1 0 3 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04115828 > ALDRICH > 684678 > - > - > - > - > 16353356 $$$$ 12 9 0 0 0 0 0 0 0 0 1 V2000 -3.3697 0.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6553 -0.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9408 0.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2263 -0.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5118 0.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2026 -0.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5118 1.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6553 -1.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9408 1.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2263 -1.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3697 -0.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2838 1.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 2 8 2 0 0 0 3 9 1 0 0 0 4 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00149287 > ALDRICH > 37690 > - > - > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.0012 -0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1268 -0.7671 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 0.3560 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3046 0.6569 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 5 6 7 8 M SBL 1 1 4 M SMT 1 ^CF3 M SBV 1 4 -4.6798 3.8981 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00153292 > ALDRICH > 498203 > - > - > - > - > 16353356 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -0.3585 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.2613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6619 -0.9733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 0.4507 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.6724 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 1 5 1 0 3 6 2 0 1 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 7 8 9 10 M SBL 1 1 6 M SMT 1 ^CF3 M SCL 1 M SBV 1 6 0.7145 0.4125 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00014374 > ALDRICH > 439495 > - > - > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.7157 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 1.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.6166 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4277 0.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -1.0277 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 3 5 2 0 1 6 1 0 6 7 2 0 6 8 1 0 M CHG 2 6 1 8 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 6 7 8 M SBL 1 1 5 M SMT 1 NO2 M SBV 1 5 -5.2359 1.9787 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00007406 > FLUKA > 73808 > - > - > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.5094 0.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5094 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5105 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5105 0.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5105 -0.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3793 -0.0149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004459 > ALDRICH > 323594 > FLUKA > 55390 > - > - > 16353356 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 1.0981 -1.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2021 -1.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0913 1.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8431 -1.0476 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0481 -2.6914 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2868 -1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -3.4258 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1453 -3.4258 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4648 2.7184 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0481 3.4258 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8363 1.7819 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2868 1.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8431 -2.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004171 > ALDRICH > 164194 > FLUKA > 77250 > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.1516 -1.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1481 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -0.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1481 1.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 1.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5776 -1.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004366 > ALDRICH > D138606 > FLUKA > 38880 > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 4.1958 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -4.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -5.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 -4.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 -5.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 7 8 2 0 0 0 0 2 1 2 0 0 0 0 7 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00078086 > ALDRICH > C82604 > FLUKA > 27420 > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 1.2375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 3 0 3 4 1 0 4 5 1 0 1 6 2 0 1 7 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00014370 > ALDRICH > 662909 > - > - > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 2 6 2 0 0 0 4 7 2 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004193 > ALDRICH > D168009 > FLUKA > 40760 > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.2137 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5126 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0851 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5126 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3762 -1.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3762 -2.1217 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002764 > ALDRICH > 132691 > FLUKA > 26171 > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.6535 -0.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6535 -3.2994 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 3.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004224 > ALDRICH > 109274 > FLUKA > 26160 > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 0.3194 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0643 0.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3595 0.2007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0643 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0528 1.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3337 -1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7433 0.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7433 -0.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0528 -0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 2 5 2 0 1 6 2 0 4 7 2 0 2 8 1 0 4 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004257 > ALDRICH > A1401 > FLUKA > 00190 > - > - > 16353356 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.0305 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6195 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0305 0.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0305 -0.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 3 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004360 > ALDRICH > P51400 > FLUKA > 81860 > - > - > 16353356 $$$$ 10 10 0 0 1 0 0 0 0 0 1 V2000 -0.3020 -0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2814 -0.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8627 -0.0370 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8627 -1.1997 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2999 -1.1997 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 3 2 1 0 2 4 2 0 1 5 1 0 5 6 1 0 6 1 1 0 1 7 1 6 7 8 1 0 7 9 1 0 7 10 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 7 8 9 10 M SBL 1 1 7 M SMT 1 CF3 M SBV 1 7 -0.5834 0.5834 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03093070 > ALDRICH > 680141 > - > - > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.1250 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 -2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -1.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1292 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -3.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -1.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2667 -2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00674491 > FLUKA > 00878 > - > - > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 2 8 2 0 0 0 3 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002653 > FLUKA > 63880 > - > - > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.6535 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9522 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6535 -3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 -1.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9522 3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 2 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004476 > ALDRICH > H40009 > - > - > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.0039 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3029 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 -3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3029 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1664 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1664 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004164 > ALDRICH > K401 > FLUKA > 75820 > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.7500 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9202 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9201 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9202 1.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 -1.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9201 1.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9639 -1.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004362 > ALDRICH > A15207 > FLUKA > 01090 > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.6534 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 0.7019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 -3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8159 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008041 > ALDRICH > 134376 > - > - > - > - > 16353356 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 4.4384 -3.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9580 -3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 -3.3208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9972 -3.6208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5168 -3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0364 -3.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5168 -2.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9580 -4.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 -2.7229 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.9972 -4.2187 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 5 7 2 0 0 0 0 2 8 2 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004209 > ALDRICH > 577790 > - > - > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1624 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1624 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002656 > ALDRICH > M54058 > FLUKA > 67750 > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.3452 -0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0498 0.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0471 -0.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3452 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0413 1.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3537 -0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 0.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7605 -0.1947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0615 -1.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 4 1 0 1 4 1 0 2 5 2 0 1 6 2 0 3 7 2 0 2 8 1 0 3 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004260 > ALDRICH > I29204 > FLUKA > 59950 > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2063 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 4 6 2 0 0 0 3 7 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002587 > ALDRICH > 238341 > - > - > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 4 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002782 > ALDRICH > 134716 > FLUKA > 94990 > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2063 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 4 6 2 0 0 0 3 7 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002587 > ALDRICH > 16490 > - > - > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.2467 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4678 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1822 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8967 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1822 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8967 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 2 0 0 0 1 6 1 0 0 0 6 7 3 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004407 > ALDRICH > 232211 > FLUKA > 77055 > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.0012 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 0.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 1.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -0.0007 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7108 -1.2339 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 0 1 5 1 0 1 6 1 0 5 7 1 0 6 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010643 > ALDRICH > 301620 > FLUKA > 16493 > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 2 8 2 0 0 0 4 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002659 > ALDRICH > M81209 > FLUKA > 65910 > - > - > 16353356 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 0.6503 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6504 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7665 2.3206 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4738 2.3206 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4737 -2.3206 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7666 -2.3206 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -4.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 0.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9353 4.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7982 -0.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 2 0 0 0 0 3 10 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042430 > FLUKA > 87264 > - > - > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.0039 -1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1517 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1517 -1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004546 > ALDRICH > 166898 > - > - > - > - > 16353356 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.1270 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9355 -0.6186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3005 -1.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 2 1 0 4 2 1 0 5 4 1 0 4 6 2 0 7 2 1 0 8 7 1 0 7 9 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00190650 > ALDRICH > 439517 > - > - > - > - > 16353356 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 1.4241 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7071 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0074 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7196 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7071 -1.0321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1387 -0.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4241 1.0321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1387 -0.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 1.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 2 5 2 0 1 6 1 0 1 7 2 0 4 8 1 0 8 9 1 0 8 10 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004165 > FLUKA > 75890 > - > - > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -2.1434 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 2 8 2 0 0 0 6 9 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004410 > ALDRICH > G3407 > FLUKA > 49660 > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.6535 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6454 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6535 3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6454 -3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002651 > FLUKA > 64050 > - > - > - > - > 16353356 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.2137 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5126 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0851 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2137 -3.2995 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.5126 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3762 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3762 -0.9439 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004212 > ALDRICH > 139947 > FLUKA > 34300 > - > - > 16353356 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7114 1.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 4 6 2 0 0 0 3 7 1 0 0 0 7 8 1 0 0 0 3 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004199 > ALDRICH > 106615 > FLUKA > 14925 > - > - > 16353356 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003297 > FLUKA > 06454 > - > - > - > - > 16353356 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -1.1270 -0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2814 -0.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 2 1 0 4 2 1 0 5 4 1 0 2 6 1 0 4 7 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010797 > ALDRICH > 293881 > - > - > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.4829 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4829 -0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 3 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -3.0456 4.5210 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002677 > ALDRICH > 239976 > FLUKA > 28400 > - > - > 16353356 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.4829 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4829 -0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 3 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -3.0456 4.5210 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002677 > ALDRICH > C88505 > FLUKA > 28400 > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 2 8 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002796 > ALDRICH > L2009 > FLUKA > 61380 > - > - > 16353356 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -1.4091 0.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6996 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0074 0.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1211 0.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 1.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1211 0.2127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1211 -0.6094 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1211 -1.4316 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 8 1 1 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 2 0 8 9 2 0 9 10 2 0 M CHG 2 9 1 10 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____712256 > ALDRICH > 712256 > - > - > - > - > 16353356 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.9733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 -0.9733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 1 0 4 6 2 0 3 7 1 0 3 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03093765 > ALDRICH > 701076 > - > - > - > - > 16353356 $$$$