23 25 0 0 0 0 0 0 0 0 1 V2000 6.2588 -2.8740 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9588 -2.3544 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3720 -2.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3092 -3.0758 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 5.8574 -3.3199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3831 -1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6588 -1.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8384 -2.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5588 -3.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7896 -3.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 -3.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7504 -3.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7504 -3.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 -4.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7896 -3.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2308 -4.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -3.9758 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2308 -4.8758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -3.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -3.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6719 -3.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -4.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6719 -3.3758 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 4 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 21 23 1 0 0 0 0 20 23 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09027083 > ALDRICH > 677787 > - > - > - > - > 16316011 $$$$ 23 25 0 0 0 0 0 0 0 0 1 V2000 4.9755 1.0260 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6755 1.5456 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0886 1.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0259 0.8242 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 0.5801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0998 1.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3755 2.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5551 1.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2755 0.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5063 0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9867 0.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4671 0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4671 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9867 -0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5063 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9474 -0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4278 -0.0758 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9474 -0.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4278 0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9082 0.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 0.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9082 -0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 4 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 17 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05863913 > ALDRICH > 677809 > - > - > - > - > 16316011 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 0.0104 0.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8146 0.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0695 -0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4021 -0.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2654 -0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0723 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6244 -0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3694 0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5624 0.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3666 0.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1736 0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4285 -0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8765 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4285 -0.1858 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 1 1 0 2 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 3 1 0 7 14 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00019049 > ALDRICH > 653918 > - > - > - > - > 16316011 $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 -2.8577 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1444 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1444 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1444 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7207 0.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0045 -0.4110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7117 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4367 -2.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1442 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1442 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4367 -0.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 -2.0613 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 2.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4311 2.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 5 8 1 0 4 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 11 16 1 0 14 17 1 0 7 18 2 0 7 19 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06798159 > FLUKA > 04588 > - > - > - > - > 16316011 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8666 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.8743 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8742 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8743 -1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8645 0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8742 -1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8646 0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8645 -1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8507 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8646 -1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8507 -1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 -1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 12 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000134 > ALDRICH > B65403 > FLUKA > 16955 > - > - > 16316011 $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 -0.7120 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7147 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4282 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1415 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1415 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4282 -1.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7147 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 -1.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1386 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1386 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8548 -1.4440 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8548 -1.4440 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.4440 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7147 1.4440 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 1 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 1 9 1 0 3 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 3 14 1 0 7 15 1 0 12 16 1 0 4 17 1 0 4 18 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000851 > ALDRICH > B39607 > - > - > - > - > 16316011 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.0312 0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4423 0.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2645 0.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6755 0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2645 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4423 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2063 0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2048 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 0.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2048 0.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6755 -0.7132 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 1 6 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 7 12 2 0 0 0 13 10 1 0 0 0 14 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000917 > ALDRICH > C52276 > FLUKA > 25108 > - > - > 16316011 $$$$ 22 25 0 0 0 0 0 0 0 0 1 V2000 4.4002 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4002 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9198 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4394 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4394 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9198 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4786 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4786 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 -3.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4394 -3.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4394 -4.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 -4.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4786 -4.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4786 -3.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9198 -3.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4002 -3.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4002 -4.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9198 -4.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9964 -2.9156 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.9964 -3.5156 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 7 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 12 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 13 1 0 0 0 0 8 21 1 0 0 0 0 16 22 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00188005 > ALDRICH > 676438 > - > - > - > - > 16316011 $$$$ 21 23 0 0 0 0 0 0 0 0 1 V2000 6.0806 -3.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0806 -3.2019 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4806 -3.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0806 -2.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6806 -3.2019 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6002 -2.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6002 -1.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0806 -1.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -1.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -2.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1806 -2.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5806 -2.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2806 -3.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5806 -3.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1806 -3.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -4.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -4.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0806 -5.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6002 -4.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6002 -4.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1180 -3.8030 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 3 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 3 1 0 0 0 0 1 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 1 1 0 0 0 0 20 21 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040399 > ALDRICH > 26569 > - > - > - > - > 16316011 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 0.7145 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.6173 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 1 8 1 0 0 0 5 9 1 0 0 0 3 10 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 8 13 1 0 0 0 8 14 1 0 0 0 9 15 1 0 0 0 9 16 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00051547 > ALDRICH > 637939 > - > - > - > - > 16316011 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 2 8 1 0 6 9 1 0 3 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 9 1 0 10 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05865203 > ALDRICH > 636789 > - > - > - > - > 16316011 $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 -0.7120 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7147 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4282 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1415 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1415 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4282 -1.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7147 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 -1.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1386 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1386 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8548 -1.4440 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8548 -1.4440 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.4440 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7147 1.4440 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 1 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 1 9 1 0 3 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 3 14 1 0 7 15 1 0 12 16 1 0 4 17 1 0 4 18 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000851 > ALDRICH > B39593 > - > - > - > - > 16316011 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -0.7120 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8529 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 8 2 0 11 14 1 0 5 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000360 > ALDRICH > 279986 > - > - > - > - > 16316011 $$$$ 24 24 0 0 0 0 0 0 0 0 1 V2000 -0.0000 3.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.4366 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 3.0837 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 -1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8504 -1.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8504 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 2.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5624 -3.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5624 -2.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 -1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 1.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 2 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 3 24 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 8 9 10 11 12 13 14 15 16 M SBL 1 1 9 M SMT 1 CH2(CH2)6CH3 M SBV 1 9 -2.8480 4.1107 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 8 17 18 19 20 21 22 23 24 M SBL 2 1 17 M SMT 2 CH3(CH2)6CH^2 M SBV 2 17 0.7120 0.4111 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05865208 > ALDRICH > 637068 > - > - > - > - > 16316011 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 -0.0151 -0.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6523 -0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3974 0.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4276 0.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6825 -0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4593 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0113 -0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7564 0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9494 0.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8079 0.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0214 -0.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8155 -0.3116 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.8155 -0.1858 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 1 0 2 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 3 1 0 4 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 5 2 0 12 14 1 0 7 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00019048 > ALDRICH > 342297 > - > - > - > - > 16316011 $$$$ 33 38 0 0 0 0 0 0 0 0 1 V2000 -0.4292 -1.5375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4292 1.7042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1458 -1.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3458 1.2083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9417 -1.3417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0583 1.6208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2167 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 0.4958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9333 -0.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2167 -0.7417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2167 0.9083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4958 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7292 -0.5417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -1.9500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.4917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9292 0.6250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 2.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 1.0375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -0.7583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -1.9250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5708 2.9917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 2.5125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -2.9875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -2.4250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 0.9083 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 14 1 0 0 0 0 3 5 1 0 0 0 0 4 11 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 1 1 0 0 0 0 14 16 1 0 0 0 0 15 13 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 18 3 1 0 0 0 0 19 1 1 0 0 0 0 20 2 1 0 0 0 0 21 4 1 0 0 0 0 22 16 1 0 0 0 0 23 6 1 0 0 0 0 24 6 1 0 0 0 0 25 5 1 0 0 0 0 26 5 1 0 0 0 0 27 8 1 0 0 0 0 28 9 1 0 0 0 0 29 7 1 0 0 0 0 30 10 1 0 0 0 0 31 32 1 0 0 0 0 32 17 2 0 0 0 0 33 31 1 0 0 0 0 10 3 1 0 0 0 0 3 12 1 0 0 0 0 11 14 1 0 0 0 0 22 31 2 0 0 0 0 6 2 1 0 0 0 0 9 8 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00213542 > ALDRICH > 184934 > - > - > - > - > 16316011 $$$$ 32 32 0 0 0 0 0 0 0 0 1 V2000 -0.0000 4.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 4.3169 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 2.6698 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -4.9864 -4.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9864 -3.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2744 -3.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2744 -2.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5624 -1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5624 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 1.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 1.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 2.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9864 -2.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2744 -2.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2744 -1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 -1.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8504 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8504 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 2.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 2.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 3.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 5 8 1 0 3 20 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 6 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 12 9 10 11 12 13 14 15 16 17 18 19 20 M SBL 1 1 9 M SMT 1 CH3(CH2)10CH^2 M SBV 1 9 0.7120 0.4111 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 12 21 22 23 24 25 26 27 28 29 30 31 32 M SBL 2 1 21 M SMT 2 CH2(CH2)10CH3 M SBV 2 21 -4.2719 6.5771 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05865206 > ALDRICH > 637033 > - > - > - > - > 16316011 $$$$ 24 24 0 0 0 0 0 0 0 0 1 V2000 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5699 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2843 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9988 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5699 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2843 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9988 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 2 8 1 0 6 9 1 0 3 10 1 0 11 9 1 0 12 11 1 0 13 12 1 0 14 13 1 0 15 14 1 0 16 10 1 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 16 21 1 0 21 22 1 0 11 23 1 0 23 24 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06200710 > ALDRICH > 636711 > - > - > - > - > 16316011 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 -0.7167 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4292 -0.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7167 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0167 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 4 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 5 1 0 0 0 0 15 5 1 0 0 0 0 8 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00796945 > ALDRICH > 592161 > - > - > - > - > 16316011 $$$$ 35 37 0 0 0 0 0 0 0 0 1 V2000 5.9750 -5.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -5.3792 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -5.3792 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -7.0375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4000 -7.0292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1125 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5375 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2500 -7.0250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7000 -7.0333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4000 -7.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -7.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2500 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9625 -6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -6.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -7.8583 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 2 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 7 1 0 0 0 0 17 6 1 0 0 0 0 18 13 1 0 0 0 0 19 12 1 0 0 0 0 20 25 1 0 0 0 0 21 24 1 0 0 0 0 22 16 1 0 0 0 0 23 17 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 20 1 0 0 0 0 27 21 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 23 1 0 0 0 0 31 22 1 0 0 0 0 32 28 1 0 0 0 0 33 28 1 0 0 0 0 34 29 1 0 0 0 0 35 29 1 0 0 0 0 4 5 1 0 0 0 0 9 14 2 0 0 0 0 8 15 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03427152 > ALDRICH > 554944 > - > - > - > - > 16316011 $$$$ 39 41 0 0 0 0 0 0 0 0 1 V2000 2.1133 -6.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 -6.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3813 -6.0255 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9004 -5.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1168 -5.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -6.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6795 -7.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4579 -8.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0682 -7.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0778 -4.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4633 -4.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6839 -4.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 -5.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6205 -8.8702 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 -3.1861 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 11.6664 -4.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9537 -5.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2425 -4.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5297 -5.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8185 -4.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1057 -5.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3945 -4.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6817 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9705 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 -5.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5465 -4.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8337 -5.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7564 -6.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0436 -6.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3325 -6.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6196 -6.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9085 -6.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1956 -6.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4845 -6.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7716 -6.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0605 -6.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3477 -6.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6365 -6.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9237 -6.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 4 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 13 5 1 0 0 0 0 1 5 1 0 0 0 0 8 14 1 0 0 0 0 11 15 1 0 0 0 0 3 27 1 0 0 0 0 3 39 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 G 27 3 CH2(CH2)10CH3 G 39 3 CH2(CH2)10CH3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 12 16 17 18 19 20 21 22 23 24 25 26 27 M SBL 1 1 24 M SMT 1 CH2(CH2)10CH3 M SBV 1 24 -0.4600 -0.6500 M SAL 2 12 28 29 30 31 32 33 34 35 36 37 38 39 M SBL 2 1 25 M SMT 2 CH2(CH2)10CH3 M SBV 2 25 -0.5500 0.5300 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03427150 > ALDRICH > 554928 > - > - > - > - > 16316011 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 3.1150 -6.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 -7.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 -8.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0210 -7.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0210 -6.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 -5.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9731 -8.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 -7.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 -6.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9731 -5.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8810 -8.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8350 -7.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8350 -6.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8810 -5.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9723 -4.9967 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 5 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001245 > ALDRICH > 252506 > - > - > - > - > 16316011 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.9207 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0957 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3332 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1582 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5707 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1582 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3332 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3168 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1418 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5543 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1418 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3168 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8562 0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5707 0.5082 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 1 1 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 2 2 0 0 0 13 11 1 0 0 0 14 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03452790 > ALDRICH > 538388 > - > - > - > - > 16316011 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.0717 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 1 1 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 2 2 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075454 > ALDRICH > 360082 > - > - > - > - > 16316011 $$$$ 33 38 0 0 0 0 0 0 0 0 1 V2000 -0.4292 -1.5375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4292 1.7042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1458 -1.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3458 1.2083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9417 -1.3417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0583 1.6208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2167 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 0.4958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9333 -0.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2167 -0.7417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2167 0.9083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4958 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7292 -0.5417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -1.9500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.4917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9292 0.6250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 2.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 1.0375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -0.7583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -1.9250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5708 2.9917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 2.5125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -2.9875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -2.4250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 1 0 0 0 0 3 5 1 0 0 0 0 4 11 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 1 1 0 0 0 0 14 16 1 0 0 0 0 15 13 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 18 3 1 0 0 0 0 19 1 1 0 0 0 0 20 2 1 0 0 0 0 21 4 1 0 0 0 0 22 16 1 0 0 0 0 23 6 1 0 0 0 0 24 6 1 0 0 0 0 25 5 1 0 0 0 0 26 5 1 0 0 0 0 27 8 1 0 0 0 0 28 9 1 0 0 0 0 29 7 1 0 0 0 0 30 10 1 0 0 0 0 31 17 2 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 10 3 1 0 0 0 0 3 12 1 0 0 0 0 11 14 1 0 0 0 0 22 32 2 0 0 0 0 6 2 1 0 0 0 0 9 8 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00167974 > ALDRICH > 184896 > - > - > - > - > 16316011 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 0.4125 -0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4083 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8292 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 1.4292 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6458 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6542 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 8 2 0 0 0 0 13 10 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 9 14 2 0 0 0 0 5 6 1 0 0 0 0 15 11 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00192230 > ALDRICH > 389358 > - > - > - > - > 16316011 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 -1.7715 1.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4744 -0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4744 -0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0264 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7715 1.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9645 1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.3538 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 7 14 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001133 > ALDRICH > B66604 > - > - > - > - > 16316011 $$$$ 28 28 0 0 0 0 0 0 0 0 1 V2000 -1.4364 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1484 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8604 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8604 -1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2843 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9963 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7083 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4203 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7083 -1.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7244 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0099 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7045 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7045 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0099 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7244 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1335 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2769 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9914 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7058 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7058 1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4165 -0.8229 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4364 0.8243 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 1 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 11 1 0 0 0 17 14 1 0 0 0 18 17 1 0 0 0 19 18 1 0 0 0 20 19 1 0 0 0 21 20 1 0 0 0 22 21 1 0 0 0 23 22 1 0 0 0 24 23 1 0 0 0 23 25 1 0 0 0 19 26 1 0 0 0 13 27 1 0 0 0 16 28 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05865202 > ALDRICH > 636762 > - > - > - > - > 16316011 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 6.0750 -3.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -2.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -2.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -3.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -3.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -3.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -3.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -3.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -3.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -3.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -2.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -2.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1942 -3.4980 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6764 -3.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8712 -3.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3890 -3.4961 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 7 12 2 0 0 0 0 1 7 1 0 0 0 0 10 14 1 0 0 0 0 4 15 1 0 0 0 0 1 2 1 0 0 0 0 13 14 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 15 16 1 0 0 0 0 G 14 10 ClCH^2 G 15 4 CH2Cl M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 2 13 14 M SBL 1 1 11 M SMT 1 ClCH^2 M SBV 1 11 0.6000 -0.0100 M SAL 2 2 15 16 M SBL 2 1 12 M SMT 2 CH2Cl M SBV 2 12 -0.6000 -0.0100 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00674019 > ALDRICH > 448753 > - > - > - > - > 16316011 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 -2.4994 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 8 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 9 1 0 0 0 13 15 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003580 > ALDRICH > 187720 > - > - > - > - > 16316011 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 -2.1638 0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4188 -0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8667 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0598 -0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8048 0.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3568 0.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3923 -0.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2751 -0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0202 0.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0821 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 -0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5722 0.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4188 -0.2698 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 11 14 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001115 > ALDRICH > 124060 > - > - > - > - > 16316011 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 -2.8600 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 0.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0019 -1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0019 0.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 0.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 1.5135 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 9 14 1 0 14 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003578 > ALDRICH > 187712 > - > - > - > - > 16316011 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -1.0680 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2354 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 -1.2339 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 8 2 0 7 14 1 0 11 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000856 > ALDRICH > 103314 > - > - > - > - > 16316011 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -0.7120 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.2354 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 -1.2339 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8529 -1.2340 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 8 2 0 7 14 1 0 11 15 1 0 5 16 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00044329 > ALDRICH > 360724 > - > - > - > - > 16316011 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 5.4385 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0385 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3385 -3.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9385 -3.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2385 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9385 -2.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3385 -2.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1385 -2.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5385 -2.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2385 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5385 -3.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1385 -3.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0385 -2.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4385 -2.1191 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4385 -4.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0385 -4.1976 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 2 1 0 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 1 1 0 0 0 0 13 7 1 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 16 15 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00074910 > ALDRICH > 330647 > - > - > - > - > 16316011 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6471 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 10 15 1 0 7 16 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001244 > ALDRICH > D38855 > - > - > - > - > 16316011 $$$$ 20 23 0 0 0 0 0 0 0 0 1 V2000 -1.7715 1.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4744 0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4744 0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0264 1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7715 1.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9645 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.5738 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3745 -0.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1995 -0.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3745 -2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1995 -2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 7 14 1 0 7 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 16 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075522 > ALDRICH > 368873 > - > - > - > - > 16316011 $$$$ 31 33 0 0 0 0 0 0 0 0 1 V2000 -0.7145 3.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 3.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 3.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 3.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 2.0256 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 2.0256 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 -0.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 -2.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -2.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 -3.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 -3.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 -2.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -1.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 -0.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.3097 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 2 0 1 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 2 1 0 4 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 5 1 0 1 5 1 0 8 14 1 0 11 15 1 0 3 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 3 31 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 8 16 17 18 19 20 21 22 23 M SBL 1 1 18 M SMT 1 CH2(CH2)6CH3 M SBV 1 18 -0.4125 0.7145 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 8 24 25 26 27 28 29 30 31 M SBL 2 1 26 M SMT 2 CH3(CH2)6CH^2 M SBV 2 26 0.4125 0.7145 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03094033 > ALDRICH > 546798 > - > - > - > - > 16316011 $$$$ 17 20 0 0 0 0 0 0 0 0 1 V2000 0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 1.4289 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 6 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 1 1 0 9 14 1 0 14 15 2 0 15 16 1 0 16 11 2 0 4 17 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00015767 > ALDRICH > 391573 > - > - > - > - > 16316011 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 4.4396 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9592 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4788 -3.3500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9984 -3.0500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5180 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5180 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0377 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5573 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5573 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0377 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9592 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4396 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9984 -2.4521 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4788 -3.9479 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 4 15 1 1 0 0 0 3 16 1 6 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00085299 > ALDRICH > 106550 > - > - > - > - > 16316011 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 6.0020 -3.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3020 -2.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 -2.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 -3.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 -3.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3020 -3.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4020 -3.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1020 -3.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -3.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 -3.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -2.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1020 -2.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6145 -2.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 -2.4213 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 7 12 2 0 0 0 0 1 7 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00134199 > ALDRICH > 361623 > - > - > - > - > 16316011 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -0.8236 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 1 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 2 1 0 4 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 5 1 0 1 5 1 0 8 14 1 0 11 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040153 > ALDRICH > 546771 > - > - > - > - > 16316011 $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 -1.7837 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -2.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 -2.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 -2.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 2.4729 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 -0.8229 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 -0.0007 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -2.0575 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 11 14 1 0 7 15 1 0 15 16 1 0 6 17 1 0 15 18 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000850 > ALDRICH > C63804 > - > - > - > - > 16316011 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 -0.7167 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.0833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4292 -1.0833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7167 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 1.8000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 -1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0167 -1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 -0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 10 1 0 0 0 0 10 8 1 0 0 0 0 11 4 1 0 0 0 0 12 4 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 5 1 0 0 0 0 16 5 1 0 0 0 0 8 7 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03701623 > ALDRICH > 571474 > - > - > - > - > 16316011 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8666 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8742 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8742 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8742 -1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8644 0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8742 -1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8646 0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8644 -1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8507 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8646 -1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8507 -1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 -1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 12 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000855 > ALDRICH > 125032 > FLUKA > 24482 > - > - > 16316011 $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 -0.7697 -2.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 -2.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4678 -1.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 -0.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 -0.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 -1.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 -1.2913 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2899 -0.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0044 -0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0044 0.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2899 1.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5754 0.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5754 -0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2899 2.0058 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 -1.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0491 -1.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4678 -1.6290 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4678 -0.4663 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 -0.4663 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 8 2 0 11 14 1 0 3 15 1 0 8 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 15 16 17 18 19 M SBL 1 2 15 16 M SMT 1 CHCCl3 M SBV 1 15 -3.1735 4.1878 M SBV 1 16 -3.9956 3.3628 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000802 > ALDRICH > 386340 > - > - > - > - > 16316011 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 2 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 2 2 0 0 0 4 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 4 1 0 0 0 3 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 3 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000120 > ALDRICH > T83607 > FLUKA > 18560 > - > - > 16316011 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 10 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001243 > ALDRICH > B56609 > FLUKA > 16270 > - > - > 16316011 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 -1.6507 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0618 -0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6493 -1.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8243 -1.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4132 -0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8257 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4118 -0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8243 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4118 0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4132 0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8243 -1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 -1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0618 -0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8243 1.4293 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 6 10 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 8 14 1 0 9 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001174 > ALDRICH > B75409 > FLUKA > 17980 > - > - > 16316011 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6471 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 10 15 1 0 7 16 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001246 > ALDRICH > 252085 > - > - > - > - > 16316011 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.0100 0.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6461 0.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6461 0.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5373 1.1804 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 1.1804 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 -0.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5373 -0.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1702 -1.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1702 -1.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9353 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9353 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 2 6 2 0 2 7 1 0 3 8 2 0 3 9 1 0 6 10 1 0 7 11 2 0 8 12 1 0 9 13 2 0 11 14 1 0 13 15 1 0 12 15 2 0 10 14 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000811 > ALDRICH > D61407 > FLUKA > 35778 > - > - > 16316011 $$$$ 19 19 0 0 0 0 0 0 0 0 1 V2000 5.2803 -5.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9974 -5.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2804 -4.3879 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.5702 -5.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9965 -6.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 -6.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2830 -6.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7205 -5.2053 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3094 -4.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4326 -4.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1316 -5.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8494 -5.2042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2605 -4.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5615 -5.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4383 -5.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2815 -7.6941 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1037 -7.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2815 -8.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4593 -7.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 2 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 5 7 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 4 12 1 0 0 0 0 2 8 1 0 0 0 0 7 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 G 12 4 t-Bu G 8 2 t-Bu G 16 7 t-Bu M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 4 12 13 14 15 M SBL 1 1 14 M SMT 1 t-Bu M SBV 1 14 0.7200 -0.4200 M SAL 2 4 8 9 10 11 M SBL 2 1 15 M SMT 2 t-Bu M SBV 2 15 -0.7200 -0.4200 M SAL 3 4 16 17 18 19 M SBL 3 1 16 M SMT 3 t-Bu M SBV 3 16 0.0000 0.8300 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191861 > ALDRICH > 407097 > FLUKA > 18525 > - > - > 16316011 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 -1.2799 0.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1049 0.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3598 -0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6924 -0.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6569 0.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4639 0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7188 -0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1668 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3341 -0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0791 0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7279 0.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 -0.1858 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7721 0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3534 0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7289 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 2 0 0 0 2 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 3 1 0 0 0 5 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 1 1 0 0 0 8 14 1 0 0 0 11 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 15 16 17 18 19 20 M SBL 1 1 17 M SMT 1 CH2(CH2)4CH3 M SBV 1 17 -8.9290 6.7644 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____701254 > ALDRICH > 701254 > - > - > - > - > 16316011 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 -1.6486 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8861 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2986 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8861 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8264 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2986 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1207 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.1207 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 1 1 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 2 2 0 0 0 10 13 1 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 13 2 0 0 0 5 19 1 0 0 0 16 20 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00272889 > ALDRICH > 705411 > - > - > - > - > 16316011 $$$$