10 11 0 0 1 0 0 0 0 0 1 V2000 -1.3835 -0.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5868 -0.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2099 -0.5298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 0.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9699 0.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1731 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5853 1.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3835 0.4976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8003 -1.1125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2394 1.1125 0.0000 H 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 1 5 2 0 0 0 5 6 1 0 0 0 4 6 1 0 0 0 6 7 1 0 0 0 2 7 1 0 0 0 4 8 2 0 0 0 2 9 1 1 0 0 6 10 1 6 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00211275 > ALDRICH > 441287 > - > - > - > - > 16261970 $$$$ 15 16 0 0 1 0 0 0 0 0 1 V2000 4.7250 -7.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -7.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5500 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -7.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -8.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4125 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4125 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 3 5 1 1 0 0 0 6 5 1 0 0 0 0 7 2 2 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 9 1 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 4 2 1 0 0 0 0 14 15 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00798164 > ALDRICH > 468975 > - > - > - > - > 16261970 $$$$ 11 11 0 0 1 0 0 0 0 0 1 V2000 -0.3770 1.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3945 0.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -0.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 -1.4215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1108 -0.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3861 0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6145 1.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -1.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6182 0.5061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0683 1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3861 -0.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 1 1 0 0 0 3 8 2 0 0 0 2 9 1 1 0 0 9 10 1 0 0 0 9 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > F______39147 > FLUKA > 39147 > - > - > - > - > 16261970 $$$$ 9 9 0 0 1 0 0 0 0 0 1 V2000 3.6000 -5.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -5.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -5.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -4.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5667 -4.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -5.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -4.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 6 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 9 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00064476 > FLUKA > 07257 > - > - > - > - > 16261970 $$$$ 11 10 0 0 1 0 0 0 0 0 1 V2000 5.3298 -6.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5964 -6.8005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9803 -6.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4932 -5.6631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3068 -5.4997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 -6.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0033 -5.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7027 -5.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1897 -5.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3639 -6.3135 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -6.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 1 6 0 0 0 2 6 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 G 10 0 • HCl M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SMT 1 • HCl M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02683418 > ALDRICH > 21612 > - > - > - > - > 16261970 $$$$ 9 9 0 0 1 0 0 0 0 0 1 V2000 3.6000 -5.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -5.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -5.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -4.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5667 -4.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -5.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -4.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 6 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 9 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00064476 > FLUKA > 98042 > - > - > - > - > 16261970 $$$$ 8 8 0 0 1 0 0 0 0 0 1 V2000 5.7667 -6.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -6.0292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7667 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -6.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -5.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -6.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 3 5 1 1 0 0 0 6 2 2 0 0 0 0 7 5 2 0 0 0 0 8 5 1 0 0 0 0 2 4 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00799571 > ALDRICH > 473278 > - > - > - > - > 16261970 $$$$ 10 11 0 0 1 0 0 0 0 0 1 V2000 -1.0036 -0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2068 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5899 -0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0036 0.2313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5899 0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2054 1.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9036 -1.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4204 1.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4204 -1.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 1 5 2 0 0 0 5 6 1 0 0 0 4 6 1 0 0 0 6 7 1 0 0 0 2 7 1 0 0 0 3 8 2 0 0 0 6 9 1 6 0 0 2 10 1 1 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00211274 > ALDRICH > 441279 > - > - > - > - > 16261970 $$$$ 20 20 0 0 1 0 0 0 0 0 1 V2000 -0.7582 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1748 -1.6125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4085 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1748 -0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2307 -1.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5803 -1.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2948 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0093 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2948 0.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1748 0.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8868 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3621 0.7875 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.3621 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3621 -0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5847 -0.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1871 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1871 1.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0093 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1871 -0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 1 1 0 0 0 3 5 2 0 0 0 1 6 1 6 0 0 7 6 1 0 0 0 8 7 1 0 0 0 7 9 2 0 0 0 4 10 1 0 0 0 10 11 1 1 0 0 10 12 1 0 0 0 11 13 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 4 16 1 6 0 0 13 17 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 17 20 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 17 18 19 20 M SBL 1 1 17 M SMT 1 t-Bu M SBV 1 17 -5.3473 3.1818 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00077636 > ALDRICH > 375845 > - > - > - > - > 16261970 $$$$