12 13 0 0 0 0 0 0 0 0 1 V2000 1.4692 -0.1389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1282 0.3574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8598 1.1376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 1.1376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7935 0.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0127 0.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7017 0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4162 0.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4162 -0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7017 -1.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0127 -0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1282 -1.1361 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 6 2 0 0 0 9 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00991874 > ALDRICH > 649570 > - > - > - > - > 16272125 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.8292 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9083 1.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 1.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 0.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4958 -0.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -1.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4542 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1667 0.4750 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4542 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 9 2 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 2 4 2 0 0 0 0 7 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02093928 > ALDRICH > 556068 > - > - > - > - > 16272125 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 6.6771 -2.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2771 -2.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -2.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9771 -3.1608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -2.8081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9700 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9700 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4896 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0092 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0092 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4896 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4522 -3.9615 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 2 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 3 10 1 0 0 0 0 7 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00478201 > ALDRICH > 681091 > - > - > - > - > 16272125 $$$$ 28 30 0 0 0 0 0 0 0 0 1 V2000 -0.7524 0.8221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0233 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 -0.4557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3113 0.0155 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0725 0.8052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7378 -0.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4522 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1667 -0.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1667 -1.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4522 -1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7378 -1.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0258 -0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7402 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0258 -1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7402 -1.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4547 -1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4547 -0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7869 1.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5014 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2159 1.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2159 2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5014 2.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7869 2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9279 2.4538 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -2.0441 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1667 -1.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4547 -2.4552 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6693 0.4695 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 6 2 1 0 0 0 7 6 1 0 0 0 8 7 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 6 2 0 0 0 12 4 1 0 0 0 13 12 2 0 0 0 12 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 13 1 0 0 0 18 5 1 0 0 0 19 18 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 18 1 0 0 0 21 24 1 0 0 0 16 25 1 0 0 0 25 26 2 0 0 0 25 27 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 25 26 27 M SBL 1 1 28 M SMT 1 NO2 M SBV 1 28 -5.1306 4.0772 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011961 > ALDRICH > I10406 > - > - > - > - > 16272125 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.3457 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3457 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3688 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3688 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3688 0.6027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0362 1.0877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7813 1.8723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0437 1.8723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2986 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.8327 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 7 1 0 11 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003128 > ALDRICH > 143375 > - > - > - > - > 16272125 $$$$ 12 13 0 0 0 1 V2000 1.0517 0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3000 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 2.2034 -0.6552 0.0000 N 0 0 0 0 0 0 0 0 0 1.4862 1.5379 0.0000 N 0 0 0 0 0 0 0 0 0 -1.3966 0.6138 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5414 -1.7241 0.0000 C 0 0 0 0 0 0 0 0 0 3.3621 0.1966 0.0000 N 0 0 0 0 0 0 0 0 0 2.9241 1.5379 0.0000 N 0 0 0 0 0 0 0 0 0 -2.7517 0.1103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1414 2.0207 0.0000 Br 0 0 0 0 0 0 0 0 0 -1.9000 -2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0000 -1.2828 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 2 0 0 0 5 10 1 0 0 0 6 11 1 0 0 0 9 12 1 0 0 0 7 8 2 0 0 0 11 12 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00151799 > ALDRICH > 439541 > - > - > - > - > 16272125 $$$$