9 8 0 0 0 0 0 0 0 0 1 V2000 -2.1434 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2048 0.0000 N 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 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 2.1434 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.6173 0.0000 C 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 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 1 0 0 0 4 9 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009175 > ALDRICH > 284394 > FLUKA > 40370 > - > - > 16256224 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 3 5 2 0 0 0 1 6 1 0 0 0 1 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004283 > FLUKA > 40360 > SIGMA > D1156 > - > - > 16256224 $$$$ 9 7 0 0 0 0 0 0 0 0 1 V2000 0.0396 -0.2061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7935 -0.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5079 -0.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2199 -0.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5079 0.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6505 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0396 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2199 0.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5055 0.6530 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 3 5 2 0 0 0 1 6 1 0 0 0 1 7 1 0 0 0 8 9 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SMT 1 • HCl M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00012610 > FLUKA > 40380 > - > - > - > - > 16256224 $$$$ 14 14 0 0 1 0 0 0 0 0 1 V2000 -0.7145 -0.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.7367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2978 -1.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1311 -1.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 2 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 9 11 2 0 0 0 8 12 1 1 0 0 12 13 1 0 0 0 12 14 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00082539 > ALDRICH > 273910 > FLUKA > 41389 > - > - > 16256224 $$$$