10 10 0 0 1 0 0 0 0 0 1 V2000 4.5484 -9.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5484 -9.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2617 -10.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9721 -9.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9721 -9.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2617 -8.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6854 -8.6756 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.4016 -9.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1010 -8.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2700 -8.0910 0.0000 N 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 7 5 1 0 0 0 0 7 8 1 1 0 0 0 7 9 2 0 0 0 0 7 10 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07370096 > FLUKA > 08708 > - > - > - > - > 16270403 $$$$ 10 10 0 0 1 0 0 0 0 0 1 V2000 -1.4265 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4118 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.0007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2148 0.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 5 1 1 0 0 7 8 2 0 0 0 7 9 2 0 0 0 7 10 1 6 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00151460 > FLUKA > 68916 > - > - > - > - > 16270403 $$$$ 21 23 0 0 1 0 0 0 0 0 1 V2000 7.1917 -7.2042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.4000 -6.9125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1917 -5.8750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4000 -6.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7125 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -4.4417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6792 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -5.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7792 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -8.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -8.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -6.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -4.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 1 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 3 1 0 0 0 0 13 12 1 0 0 0 0 14 7 1 0 0 0 0 15 7 2 0 0 0 0 16 14 2 0 0 0 0 17 6 1 0 0 0 0 18 6 1 0 0 0 0 19 16 1 0 0 0 0 4 20 1 6 0 0 0 9 21 1 6 0 0 0 4 3 1 0 0 0 0 13 9 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00269664 > ALDRICH > 534978 > - > - > - > - > 16270403 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.8250 0.2062 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5395 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 3 1 0 1 9 2 0 1 10 2 0 10 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00051932 > ALDRICH > 427446 > - > - > - > - > 16270403 $$$$ 15 17 0 0 1 0 0 0 0 0 1 V2000 -1.0036 -0.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2068 0.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5899 -0.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0036 0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5899 0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2054 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1379 -1.3147 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5899 -1.0196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7887 2.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 2.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9213 1.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7902 -0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8524 -1.7271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2746 -2.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 4 6 1 0 0 0 6 7 1 0 0 0 2 7 1 0 0 0 8 9 1 0 0 0 3 9 1 1 0 0 7 10 1 0 0 0 7 11 1 0 0 0 6 12 1 6 0 0 2 13 1 1 0 0 13 8 1 0 0 0 8 14 2 0 0 0 8 15 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00066271 > ALDRICH > 298352 > FLUKA > 21372 > - > - > 16270403 $$$$ 20 22 0 0 1 0 0 0 0 0 1 V2000 0.4258 -0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2227 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0196 -0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8383 0.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4321 0.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6352 0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2377 1.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6543 2.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8211 2.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4258 -1.0513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4362 -0.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0237 -1.5241 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2887 -1.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0031 -1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7176 -1.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4321 -1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2887 -2.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8102 -2.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6071 -2.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2186 1.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 3 5 1 0 4 6 1 0 6 5 1 0 6 7 1 0 7 8 1 0 7 9 1 0 1 10 1 1 2 11 1 1 11 12 1 0 10 12 1 0 13 10 1 0 14 13 1 0 15 14 2 0 16 15 1 0 13 17 2 0 12 18 2 0 12 19 2 0 2 7 1 0 6 20 1 6 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00269665 > ALDRICH > 534986 > - > - > - > - > 16270403 $$$$ 7 6 0 0 1 0 0 0 0 0 1 V2000 0.3560 0.2013 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2491 -0.3143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5371 -0.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -1.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 -0.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9482 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 1 3 2 0 0 0 1 4 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 4 7 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 4 5 6 7 M SBL 1 1 3 M SMT 1 ^t-Bu M SBV 1 3 -5.6411 4.6779 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05861480 > ALDRICH > 513210 > - > - > - > - > 16270403 $$$$ 15 17 0 0 1 0 0 0 0 0 1 V2000 1.0031 -0.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5906 -0.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5906 0.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0031 0.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1912 1.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7746 2.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3921 2.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8623 -1.1644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4627 -0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2872 -1.5884 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6997 -2.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2961 -2.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7896 1.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 3 5 1 0 4 6 1 0 6 5 1 0 6 7 1 0 7 2 1 0 7 8 1 0 7 9 1 0 3 10 1 1 2 11 1 1 11 12 1 0 12 13 2 0 12 14 2 0 10 12 1 0 6 15 1 6 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00151762 > ALDRICH > 305804 > FLUKA > 21371 > - > - > 16270403 $$$$ 7 6 0 0 1 0 0 0 0 0 1 V2000 6.2756 -3.4602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4774 -2.7480 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.7629 -3.1604 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9660 -3.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4774 -1.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7629 -3.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3504 -2.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05861479 > ALDRICH > 497401 > - > - > - > - > 16270403 $$$$