13 13 0 0 0 0 0 0 0 0 1 V2000 -1.2497 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2497 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5352 -1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5352 0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8912 -1.2339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9617 -1.2339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8912 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9617 0.4132 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8912 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2497 0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 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 2 8 1 0 0 0 0 5 9 1 0 0 0 0 1 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 1 2 2 0 0 0 0 12 13 1 0 0 0 0 G 12 9 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 12 13 M SBL 1 1 11 M SMT 1 OCH3 M SBV 1 11 -0.3600 0.2100 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01928388 > ALDRICH > 596833 > - > - > - > - > 16262305 $$$$ 30 34 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.6486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.6486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 1.6486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.6486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 2 9 1 0 1 10 1 0 8 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 8 1 0 7 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 7 1 0 10 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 10 1 0 9 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00014608 > ALDRICH > 495557 > - > - > - > - > 16262305 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 5 8 1 0 8 9 1 0 9 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010096 > ALDRICH > 278025 > - > - > - > - > 16262305 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 2 8 1 0 4 9 1 0 5 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006146 > ALDRICH > 183938 > - > - > - > - > 16262305 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 1 8 1 0 7 9 1 0 7 10 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00068241 > ALDRICH > 347647 > FLUKA > 69005 > - > - > 16262305 $$$$ 19 18 0 0 0 0 0 0 0 0 1 V2000 4.3815 -5.9437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 -6.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 -7.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3815 -7.5937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0959 -7.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0959 -6.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8079 -5.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8079 -5.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5199 -6.3562 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.6352 -5.9771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3497 -6.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3497 -7.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6352 -7.6271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9208 -7.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9208 -6.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2088 -5.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2088 -5.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4968 -6.3896 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.2333 -6.3667 0.0000 Cu 0 2 0 0 0 0 0 0 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 6 7 1 0 0 0 0 M CHG 3 9 -1 18 -1 19 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00064348 > ALDRICH > 300993 > - > - > - > - > 16262305 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.2368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 4 9 1 0 9 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006151 > ALDRICH > 292982 > - > - > - > - > 16262305 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -1.6486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.6486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 7 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010434 > ALDRICH > 281646 > - > - > - > - > 16262305 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 2 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00040964 > ALDRICH > 465208 > - > - > - > - > 16262305 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 5.7428 -5.0114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0283 -5.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0283 -6.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7428 -6.6656 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4572 -6.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4572 -5.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3055 -6.6739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1759 -5.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8987 -5.4156 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7428 -7.4886 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3082 -5.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5844 -5.0288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 8 6 1 0 0 0 0 9 8 1 0 0 0 0 4 10 1 0 0 0 0 2 11 1 0 0 0 0 1 2 2 0 0 0 0 11 12 3 0 0 0 0 G 11 2 CN M CHG 2 4 1 10 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 1 10 M SDI 1 4 4.6400 -4.9500 4.4300 -5.3100 M SMT 1 CN M SBV 1 10 0.7200 -0.4200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006123 > ALDRICH > 221139 > - > - > - > - > 16262305 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 2 0 4 5 1 0 5 6 2 0 3 6 1 0 5 7 1 0 2 8 1 0 1 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00673150 > ALDRICH > 494364 > - > - > - > - > 16262305 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.5174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.1326 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 8 M SMT 1 SCH3 M SBV 1 8 -6.6602 6.7357 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00014610 > ALDRICH > 545791 > - > - > - > - > 16262305 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 4.0960 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6156 -3.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1352 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1352 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6156 -2.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6531 -2.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6549 -3.3167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1745 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5950 -3.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4064 -3.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8898 -4.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3772 -3.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1950 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 8 4 1 0 0 0 0 9 8 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03094022 > ALDRICH > 545783 > - > - > - > - > 16262305 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 7 4 1 0 7 8 1 0 5 9 1 0 9 10 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 9 M SMT 1 OCH3 M SBV 1 9 -0.7145 -0.4125 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006129 > ALDRICH > 293806 > - > - > - > - > 16262305 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.8236 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00041024 > ALDRICH > 467677 > - > - > - > - > 16262305 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006142 > ALDRICH > M75608 > - > - > - > - > 16262305 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 5 8 1 0 7 9 1 0 7 10 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006141 > ALDRICH > A76982 > FLUKA > 09334 > - > - > 16262305 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006137 > ALDRICH > A76958 > FLUKA > 09332 > - > - > 16262305 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.0016 0.8179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 -0.8179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7035 0.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7003 -0.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6891 -0.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 0.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -0.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 1 3 2 0 4 5 2 0 1 5 1 0 3 6 1 0 3 7 1 0 4 8 1 0 2 6 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006147 > ALDRICH > 175420 > FLUKA > 41535 > - > - > 16262305 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006124 > ALDRICH > 132489 > - > - > - > - > 16262305 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0306 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0318 0.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3169 -0.2110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3995 0.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3966 1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3187 1.4420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7466 -0.2101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1096 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8256 1.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1064 2.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 2 2 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 4 5 1 0 0 0 0 8 10 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00190599 > FLUKA > 56350 > - > - > - > - > 16262305 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.1780 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8925 0.4139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6069 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6069 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8925 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -1.2346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8949 0.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6069 -0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 8 2 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 10 M SMT 1 OCH3 M SBV 1 10 -4.0734 2.9670 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010097 > ALDRICH > 276154 > FLUKA > 09333 > - > - > 16262305 $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006122 > ALDRICH > P56003 > FLUKA > 82610 > - > - > 16262305 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.4132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 1.2368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.0007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 7 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006132 > FLUKA > 82612 > - > - > - > - > 16262305 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -0.6334 0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3484 0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 -0.7221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6356 -1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 -0.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0805 0.1010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8637 -0.9800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3495 -0.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8655 0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1203 1.1355 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 1 1 0 5 7 2 0 7 8 1 0 8 9 2 0 9 6 1 0 9 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06245372 > ALDRICH > 685798 > - > - > - > - > 16262305 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 5.2190 -2.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2190 -3.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7386 -3.4546 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2582 -3.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2582 -2.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7386 -2.2546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7386 -4.0546 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 M CHG 2 3 1 7 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00190582 > ALDRICH > 678260 > - > - > - > - > 16262305 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.4266 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4266 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 0.8223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4266 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 -1.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4266 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 1.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 1 0 7 9 2 0 5 10 1 0 10 11 2 0 10 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006131 > ALDRICH > P56208 > FLUKA > 82613 > - > - > 16262305 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 4 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00235015 > ALDRICH > 636320 > - > - > - > - > 16262305 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.7825 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 9 M SMT 1 OCH3 M SBV 1 9 -3.6431 4.2160 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00014611 > ALDRICH > 519677 > - > - > - > - > 16262305 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.4132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 1.2368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 7 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006130 > ALDRICH > P56100 > FLUKA > 82611 > - > - > 16262305 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 7 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006128 > ALDRICH > 297666 > - > - > - > - > 16262305 $$$$ 9 10 0 0 0 0 0 0 0 0 1 V2000 2.6564 -2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6564 -3.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -3.6896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6957 -3.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6957 -2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -2.4896 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1415 -2.3881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8975 -1.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3008 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06245371 > ALDRICH > 685771 > - > - > - > - > 16262305 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.0914 -2.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0914 -3.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 -3.7021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1306 -3.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1306 -2.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 -2.5021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6484 -2.5031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6484 -3.7010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5736 -3.7010 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 4 8 1 0 0 0 0 2 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06245575 > ALDRICH > 685763 > - > - > - > - > 16262305 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 5 7 1 0 4 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006144 > ALDRICH > 199400 > - > - > - > - > 16262305 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4252 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7107 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7107 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 8 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006150 > ALDRICH > 289582 > - > - > - > - > 16262305 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 6.6698 -5.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6698 -6.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -7.2956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1636 -6.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1636 -5.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -5.5586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3069 -5.6244 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3069 -7.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5265 -5.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 5 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006143 > ALDRICH > C38400 > - > - > - > - > 16262305 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.8264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.4096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 0.4139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 7 9 2 0 5 10 1 0 10 11 1 0 10 12 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006133 > ALDRICH > P56151 > - > - > - > - > 16262305 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 4 9 1 0 0 0 1 10 1 0 0 0 9 11 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009635 > ALDRICH > 293814 > - > - > - > - > 16262305 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 7 4 1 0 8 7 1 0 5 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006127 > ALDRICH > 297941 > - > - > - > - > 16262305 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2483 -0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 7 8 M SBL 1 1 7 M SMT 1 CN M SBV 1 7 -2.0717 2.0382 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00049361 > ALDRICH > 349496 > - > - > - > - > 16262305 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.7145 -0.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7191 0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0065 0.8267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7098 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 -0.8233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 5 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006148 > ALDRICH > D181803 > - > - > - > - > 16262305 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 5 8 1 0 1 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006145 > ALDRICH > 199419 > - > - > - > - > 16262305 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 7 8 M SBL 1 1 7 M SMT 1 OCH3 M SBV 1 7 -0.7120 0.4111 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006126 > ALDRICH > 291420 > - > - > - > - > 16262305 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006149 > ALDRICH > 250384 > - > - > - > - > 16262305 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.3034 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8375 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8375 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0154 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0154 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1933 -0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 5 7 1 0 0 0 0 4 8 1 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 1 2 1 0 0 0 0 9 10 3 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 11 12 3 0 0 0 0 G 9 1 CN G 11 2 CN M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 2 9 10 M SBL 1 1 6 M SMT 1 CN M SBV 1 6 -0.7100 -0.4100 M SAL 2 2 11 12 M SBL 2 1 7 M SMT 2 CN M SBV 2 7 -0.7100 0.4100 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192087 > ALDRICH > 399639 > - > - > - > - > 16262305 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00038078 > ALDRICH > 272701 > - > - > - > - > 16262305 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 4 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006125 > ALDRICH > 132497 > - > - > - > - > 16262305 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0000 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.0021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.2339 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00051740 > ALDRICH > 632619 > - > - > - > - > 16262305 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.3583 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.8250 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 5 3 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01319019 > ALDRICH > 513164 > - > - > - > - > 16262305 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4815 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4815 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7671 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0526 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0526 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7671 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1627 -0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 3 0 5 9 1 0 9 10 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 7 8 M SBL 1 1 7 M SMT 1 CN M SBV 1 7 -2.4828 2.0382 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 9 10 M SBL 2 1 9 M SMT 2 CN M SBV 2 9 -2.4828 2.8603 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00059771 > ALDRICH > 399620 > - > - > - > - > 16262305 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 8 7 1 0 9 8 1 0 7 10 1 0 5 11 1 0 11 12 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 1 11 M SMT 1 OCH3 M SBV 1 11 -0.7120 -0.4111 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006136 > ALDRICH > 243116 > - > - > - > - > 16262305 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 1 0 7 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006134 > ALDRICH > 251801 > - > - > - > - > 16262305 $$$$ 18 16 0 0 0 0 0 0 0 0 1 V2000 4.8542 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -6.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -5.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9958 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9958 -7.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -4.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -5.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7083 -6.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -7.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -5.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -7.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -7.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 2 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 2 3 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00216919 > ALDRICH > 540498 > - > - > - > - > 16262305 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.9285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.7215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 1 1 0 0 0 8 7 1 0 0 0 7 9 1 0 0 0 2 10 1 0 0 0 10 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 10 M SMT 1 OCH3 M SBV 1 10 -5.7456 6.5624 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006135 > ALDRICH > 243132 > - > - > - > - > 16262305 $$$$