29 32 0 0 0 0 0 0 0 0 1 V2000 -2.1422 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.4111 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.8236 0.0000 C 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 0.7157 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4302 -0.4111 0.0000 P 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 1.4302 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8566 -2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5711 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5711 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8566 -0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1447 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1447 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4302 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 1.6486 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 -0.7132 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5711 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5711 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 1 0 6 5 1 0 2 7 1 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 9 2 0 8 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 8 2 0 7 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 7 2 0 1 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 1 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003050 > ALDRICH > 262048 > FLUKA > 14820 > - > - > 16249895 $$$$ 27 30 0 0 0 0 0 0 0 0 1 V2000 0.0201 -0.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8738 -0.3866 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.9168 -0.4267 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.6073 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9168 0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6073 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8738 0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6073 0.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5672 -1.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2977 -0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6073 0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2977 -0.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6073 -1.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 1.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 1.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6073 1.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2574 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9909 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9909 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2977 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6073 1.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9139 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9909 -1.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9909 -1.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8738 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 3 5 1 0 2 6 1 0 2 7 1 0 7 8 1 0 7 9 1 0 6 10 1 0 6 11 1 0 5 12 1 0 5 13 1 0 4 14 1 0 4 15 1 0 9 16 1 0 12 17 1 0 13 18 1 0 10 19 1 0 11 20 1 0 14 21 1 0 15 22 1 0 8 23 1 0 16 24 1 0 22 25 1 0 19 26 1 0 18 27 1 0 20 26 1 0 23 24 1 0 17 27 1 0 21 25 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00143763 > ALDRICH > 436437 > FLUKA > 14726 > - > - > 16249895 $$$$ 30 33 0 0 0 0 0 0 0 0 1 V2000 -3.9296 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2063 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -2.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 2.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 1.4409 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 1 1 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 13 12 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 13 1 0 0 0 7 19 1 0 0 0 12 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 20 1 0 0 0 19 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 19 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00239357 > ALDRICH > 440426 > - > - > - > - > 16249895 $$$$ 30 34 0 0 0 0 0 0 0 0 1 V2000 5.2189 -2.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2189 -3.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7385 -3.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2582 -3.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2582 -2.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7385 -2.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7760 -2.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2938 -2.9521 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.7011 -2.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 -2.9521 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.8116 -2.6531 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2938 -3.5500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6655 -2.6531 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1833 -3.5500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3597 -2.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7612 -2.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4612 -1.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8743 -2.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8084 -3.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9938 -4.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5938 -4.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -3.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6028 -2.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0159 -1.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7159 -2.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1174 -2.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -3.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 -4.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4833 -4.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6687 -3.9027 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 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 11 1 0 0 0 0 12 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 12 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 13 1 0 0 0 0 14 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07781996 > ALDRICH > 680451 > - > - > - > - > 16249895 $$$$ 28 31 0 0 0 0 0 0 0 0 1 V2000 -2.2774 0.2062 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.5629 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -0.2063 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.2771 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6882 -1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5103 -1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9214 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5103 0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6882 0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6331 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0442 -0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8663 -0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2774 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8663 0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0442 0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8663 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4552 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6331 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6331 1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4552 1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2221 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9889 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5778 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9889 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 2 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 5 10 1 0 0 0 4 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 11 16 1 0 0 0 1 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 17 22 1 0 0 0 1 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 23 28 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 5 6 7 8 9 10 M SBL 1 1 4 M SMT 1 Ph M SBV 1 4 -7.2644 4.8397 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 11 12 13 14 15 16 M SBL 2 1 11 M SMT 2 Ph M SBV 2 11 -6.9084 5.4563 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 17 18 19 20 21 22 M SBL 3 1 18 M SMT 3 Ph M SBV 3 18 -7.2644 5.6619 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 23 24 25 26 27 28 M SBL 4 1 25 M SMT 4 ^Ph M SBV 4 25 -7.6202 5.0445 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003047 > ALDRICH > 106496 > FLUKA > 14823 > - > - > 16249895 $$$$ 31 34 0 0 0 0 0 0 0 0 1 V2000 -3.3491 -0.1024 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.6346 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9201 -0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4912 -0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2233 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9377 -0.1024 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.7048 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1159 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3491 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1159 0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5267 0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1156 1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7065 1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1176 0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7065 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1156 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5269 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7048 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2937 0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7048 1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5269 1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2938 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8827 -1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0606 -1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6495 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0606 0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8827 0.4033 0.0000 C 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 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 8 13 1 0 0 0 7 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 14 19 1 0 0 0 1 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 20 25 1 0 0 0 1 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 26 31 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 8 9 10 11 12 13 M SBL 1 1 7 M SMT 1 Ph M SBV 1 7 -6.3043 5.2522 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 14 15 16 17 18 19 M SBL 2 1 14 M SMT 2 Ph M SBV 2 14 -7.4824 5.8688 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 20 21 22 23 24 25 M SBL 3 1 21 M SMT 3 Ph M SBV 3 21 -6.6603 5.8688 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 26 27 28 29 30 31 M SBL 4 1 28 M SMT 4 ^Ph M SBV 4 28 -7.0161 5.2515 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003052 > ALDRICH > 287997 > FLUKA > 14828 > - > - > 16249895 $$$$ 30 33 0 0 0 0 0 0 0 0 1 V2000 -2.8138 0.2062 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.0994 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3849 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6704 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7585 -0.2063 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.1696 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5806 -1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 -1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8138 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5806 0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4028 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9917 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1696 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1696 1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9917 1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7032 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2922 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2922 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7586 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3475 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1143 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3475 0.7120 0.0000 C 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 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 12 2 0 0 0 7 12 1 0 0 0 1 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 13 18 1 0 0 0 6 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 19 24 1 0 0 0 1 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 25 30 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 7 8 9 10 11 12 M SBL 1 1 6 M SMT 1 Ph M SBV 1 6 -6.1251 5.3553 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 13 14 15 16 17 18 M SBL 2 1 13 M SMT 2 Ph M SBV 2 13 -6.1251 6.1775 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 19 20 21 22 23 24 M SBL 3 1 20 M SMT 3 Ph M SBV 3 20 -6.5914 5.9727 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 25 26 27 28 29 30 M SBL 4 1 27 M SMT 4 ^Ph M SBV 4 27 -6.4809 5.5602 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003051 > ALDRICH > 261947 > FLUKA > 14805 > - > - > 16249895 $$$$ 44 49 0 0 0 0 0 0 0 0 1 V2000 1.2070 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7465 0.8243 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.3325 0.8243 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.9215 -0.8257 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.5104 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0993 -0.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2772 -0.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1339 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2772 -1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0993 -1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6912 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2801 1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0469 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2801 -0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8662 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4551 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4551 -1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9229 1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6897 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 0.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9229 0.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1022 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5133 1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3354 1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7465 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3354 -0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5133 -0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9782 1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3892 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9782 0.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 0.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 4 1 0 0 0 7 3 1 0 0 0 8 5 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 9 14 1 0 0 0 6 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 15 20 1 0 0 0 8 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 21 26 1 0 0 0 6 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 27 32 1 0 0 0 7 33 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 33 38 1 0 0 0 7 39 1 0 0 0 39 40 2 0 0 0 40 41 1 0 0 0 41 42 2 0 0 0 42 43 1 0 0 0 43 44 2 0 0 0 39 44 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 9 10 11 12 13 14 M SBL 1 1 8 M SMT 1 Ph M SBV 1 8 -4.2314 4.3835 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 15 16 17 18 19 20 M SBL 2 1 15 M SMT 2 Ph M SBV 2 15 -3.8756 4.5883 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 21 22 23 24 25 26 M SBL 3 1 22 M SMT 3 Ph M SBV 3 22 -3.8756 5.0008 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 27 28 29 30 31 32 M SBL 4 1 29 M SMT 4 Ph M SBV 4 29 -4.2328 5.2071 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 6 33 34 35 36 37 38 M SBL 5 1 36 M SMT 5 ^Ph M SBV 5 36 -4.5901 4.5883 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 6 39 40 41 42 43 44 M SBL 6 1 43 M SMT 6 Ph M SBV 6 43 -4.2328 5.2071 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00014084 > ALDRICH > 380741 > FLUKA > 93322 > - > - > 16249895 $$$$ 31 34 0 0 0 0 0 0 0 0 1 V2000 -3.1471 0.0983 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.6779 0.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.4327 0.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7182 0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0037 0.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2893 0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6779 0.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5029 0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9139 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7361 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1471 0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7361 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9139 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0920 0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6809 -0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8574 -0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4446 0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8579 1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6851 1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7323 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3213 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4977 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0849 -0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4983 0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3254 0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0904 -0.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5014 -1.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3236 -1.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7346 -0.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3236 0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5014 0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 6 2 1 0 0 0 2 7 2 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 8 13 1 0 0 0 1 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 14 19 1 0 0 0 1 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 20 25 1 0 0 0 2 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 26 31 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 8 9 10 11 12 13 M SBL 1 1 7 M SMT 1 Ph M SBV 1 7 -6.2543 5.2993 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 14 15 16 17 18 19 M SBL 2 1 14 M SMT 2 ^Ph M SBV 2 14 -7.0241 5.5062 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 20 21 22 23 24 25 M SBL 3 1 21 M SMT 3 Ph M SBV 3 21 -6.6645 4.8889 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 26 27 28 29 30 31 M SBL 4 1 28 M SMT 4 Ph M SBV 4 28 -6.6668 4.8868 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03412076 > ALDRICH > 567108 > - > - > - > - > 16249895 $$$$ 30 33 0 0 0 0 0 0 0 0 1 V2000 -2.7336 -0.0492 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.2643 0.3466 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.0191 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2643 1.1716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3046 -0.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5901 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0893 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5004 -0.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3225 -0.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7336 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3225 1.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5004 1.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6784 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2673 -0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4438 -0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4443 0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3187 -0.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9077 -1.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0842 -1.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6713 -0.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0847 0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9119 0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6768 -0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0879 -0.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -0.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3211 -0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 0.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0879 0.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 2 4 2 0 0 0 3 5 1 0 0 0 6 5 1 0 0 0 2 6 1 0 0 0 2 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 12 2 0 0 0 7 12 1 0 0 0 1 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 13 18 1 0 0 0 1 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 19 24 1 0 0 0 2 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 25 30 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 7 8 9 10 11 12 M SBL 1 1 6 M SMT 1 Ph M SBV 1 6 -6.9579 5.3022 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 13 14 15 16 17 18 M SBL 2 1 13 M SMT 2 ^Ph M SBV 2 13 -7.7278 5.5091 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 19 20 21 22 23 24 M SBL 3 1 20 M SMT 3 Ph M SBV 3 20 -7.3681 4.8918 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 25 26 27 28 29 30 M SBL 4 1 27 M SMT 4 Ph M SBV 4 27 -7.3704 4.8897 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03412077 > ALDRICH > 567116 > - > - > - > - > 16249895 $$$$ 29 32 0 0 0 0 0 0 0 0 1 V2000 -2.4489 0.1055 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.0204 0.0931 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.7344 0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0204 1.0041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 0.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3921 -0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8032 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6253 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0364 -0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6253 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8032 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8046 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2157 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0378 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4489 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0378 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2157 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0341 -0.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -1.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7995 -1.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3867 -0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6272 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3937 0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9827 -0.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1591 -0.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7463 0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1597 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9869 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 2 4 2 0 0 0 3 5 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 6 11 1 0 0 0 2 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 12 17 1 0 0 0 1 18 1 0 0 0 18 19 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 18 23 1 0 0 0 1 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 24 29 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 6 7 8 9 10 11 M SBL 1 1 5 M SMT 1 Ph M SBV 1 5 -5.9256 2.7886 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 12 13 14 15 16 17 M SBL 2 1 12 M SMT 2 Ph M SBV 2 12 -5.5131 3.2011 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 18 19 20 21 22 23 M SBL 3 1 19 M SMT 3 Ph M SBV 3 19 -5.9233 2.7906 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 24 25 26 27 28 29 M SBL 4 1 26 M SMT 4 ^Ph M SBV 4 26 -6.2829 3.4080 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00345406 > ALDRICH > 567124 > - > - > - > - > 16249895 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -2.8579 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4104 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4104 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 3 10 1 0 0 0 10 11 1 0 0 0 7 12 1 0 0 0 12 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00233829 > ALDRICH > 14733 > - > - > - > - > 16249895 $$$$ 27 30 0 0 0 0 0 0 0 0 1 V2000 -1.9619 0.1235 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.2474 0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 0.0820 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.9068 0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4957 -0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6736 -0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6736 1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4957 1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5508 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1397 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3176 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0935 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3176 0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1397 0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3176 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7287 -0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5508 -0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9619 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5508 0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7287 0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0384 -0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 -1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1948 -1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6059 -0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1948 0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 0.3829 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 1 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 4 9 1 0 0 0 1 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 10 15 1 0 0 0 3 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 16 21 1 0 0 0 3 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 22 27 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 4 5 6 7 8 9 M SBL 1 1 3 M SMT 1 ^Ph M SBV 1 3 -5.1724 3.6377 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 10 11 12 13 14 15 M SBL 2 1 10 M SMT 2 Ph M SBV 2 10 -4.8164 3.0211 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 16 17 18 19 20 21 M SBL 3 1 17 M SMT 3 Ph M SBV 3 17 -4.4604 3.6377 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 22 23 24 25 26 27 M SBL 4 1 24 M SMT 4 Ph M SBV 4 24 -4.8164 3.0211 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003537 > ALDRICH > 127566 > FLUKA > 14818 > - > - > 16249895 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 4.4375 -3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9571 -2.9521 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.4767 -3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9963 -2.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 -3.2521 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.0356 -2.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9571 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 2 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008511 > ALDRICH > 261939 > - > - > - > - > 16249895 $$$$ 33 34 0 0 0 0 0 0 0 0 1 V2000 -0.3224 -0.2527 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 1.1151 2.0623 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 1.9682 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -1.9669 2.2575 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -2.3833 1.6085 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -1.0148 2.0092 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -1.5583 1.6144 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.9095 1.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4985 2.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3237 2.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7347 1.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3237 0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4985 0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7317 2.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1427 1.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9649 1.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 2.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9649 3.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1427 3.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2529 -1.7063 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -1.7701 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.4394 -1.4808 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.0230 -2.1298 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 1.3914 -1.7290 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.8480 -2.1239 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -2.2529 -1.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5409 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8418 -2.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9649 -2.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -2.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -2.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 -3.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -2.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 7 1 0 0 0 6 7 1 0 0 0 6 2 1 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 8 13 1 0 0 0 2 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 14 19 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 22 24 1 0 0 0 23 25 1 0 0 0 24 25 1 0 0 0 21 20 1 0 0 0 20 26 1 0 0 0 26 27 1 0 0 0 26 28 1 0 0 0 26 29 1 0 0 0 20 30 1 0 0 0 30 31 1 0 0 0 30 32 1 0 0 0 30 33 1 0 0 0 M RAD 1 3 2 M RAD 1 4 2 M RAD 1 5 2 M RAD 1 6 2 M RAD 1 7 2 M RAD 1 21 2 M RAD 1 22 2 M RAD 1 23 2 M RAD 1 24 2 M RAD 1 25 2 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 8 9 10 11 12 13 M SBL 1 1 7 M SMT 1 Ph M SBV 1 7 -4.9351 3.5622 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 14 15 16 17 18 19 M SBL 2 1 14 M SMT 2 Ph M SBV 2 14 -4.1129 4.2741 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 26 27 28 29 M SBL 3 1 27 M SMT 3 ^t-Bu M SBV 3 27 -4.7295 3.9181 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 30 31 32 33 M SBL 4 1 31 M SMT 4 ^t-Bu M SBV 4 31 -5.1406 3.2062 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03701526 > ALDRICH > 555142 > - > - > - > - > 16249895 $$$$ 28 31 0 0 0 0 0 0 0 0 1 V2000 -2.0299 -0.2269 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.4393 0.2249 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.3155 0.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4393 -0.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0268 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3842 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2064 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6174 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2064 1.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3842 1.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 0.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7967 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6189 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 0.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6189 0.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7967 0.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6151 -0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2041 -1.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3805 -1.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0323 -0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3811 0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9748 -0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5637 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7402 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3274 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7407 0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5679 0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 2 4 2 0 0 0 2 3 1 0 0 0 2 5 1 0 0 0 5 6 2 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 5 10 1 0 0 0 2 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 11 16 1 0 0 0 1 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 17 22 1 0 0 0 1 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 23 28 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 5 6 7 8 9 10 M SBL 1 1 4 M SMT 1 Ph M SBV 1 4 -5.8934 8.0936 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 11 12 13 14 15 16 M SBL 2 1 11 M SMT 2 Ph M SBV 2 11 -5.4809 7.6811 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 17 18 19 20 21 22 M SBL 3 1 18 M SMT 3 Ph M SBV 3 18 -5.8910 7.2706 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 23 24 25 26 27 28 M SBL 4 1 25 M SMT 4 ^Ph M SBV 4 25 -6.2507 7.8880 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00356638 > ALDRICH > 567132 > - > - > - > - > 16249895 $$$$ 37 40 0 0 0 0 0 0 0 0 1 V2000 -0.7928 1.6767 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.0986 1.9660 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.3178 1.3170 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 1.0506 1.7178 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.5072 1.3229 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 1.8756 1.7178 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.2867 2.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1088 2.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 3.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1088 3.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2867 3.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8756 3.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2867 1.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8756 0.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2867 -0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1088 -0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 0.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1088 1.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0506 -1.7178 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.1592 -1.4285 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.5756 -2.0775 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.7928 -1.6767 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.2494 -2.0716 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -1.8756 -1.7178 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.2867 -1.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8756 -0.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2867 0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1088 0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5199 -0.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1088 -1.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2867 -2.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1088 -2.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5199 -3.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1088 -3.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2867 -3.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8756 -3.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9999 -0.0600 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 6 7 1 0 0 0 6 13 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 12 2 0 0 0 7 12 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 13 18 1 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 20 22 1 0 0 0 21 23 1 0 0 0 22 23 1 0 0 0 19 24 1 0 0 0 24 31 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 25 30 1 0 0 0 31 32 2 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 31 36 1 0 0 0 M RAD 1 1 2 M RAD 1 2 2 M RAD 1 3 2 M RAD 1 4 2 M RAD 1 5 2 M RAD 1 19 2 M RAD 1 20 2 M RAD 1 21 2 M RAD 1 22 2 M RAD 1 23 2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001422 > ALDRICH > 177261 > FLUKA > 14816 > - > - > 16249895 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 4 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00142463 > ALDRICH > 450332 > - > - > - > - > 16249895 $$$$ 29 32 0 0 0 0 0 0 0 0 1 V2000 -2.1434 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4111 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4111 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 2 8 1 0 0 0 6 9 1 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 8 1 0 0 0 1 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 1 1 0 0 0 9 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 9 1 0 0 0 7 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00799482 > ALDRICH > 440418 > - > - > - > - > 16249895 $$$$ 28 31 0 0 0 0 0 0 0 0 1 V2000 -2.2774 0.2062 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.5629 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -0.2063 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.2771 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6882 -1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5103 -1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9214 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5103 0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6882 0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6331 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0442 -0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8663 -0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2774 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8663 0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0442 0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8663 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4552 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6331 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6331 1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4552 1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2221 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9889 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5778 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9889 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 2 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 5 10 1 0 0 0 4 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 11 16 1 0 0 0 1 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 17 22 1 0 0 0 1 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 23 28 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 5 6 7 8 9 10 M SBL 1 1 4 M SMT 1 Ph M SBV 1 4 -7.2644 4.8397 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 11 12 13 14 15 16 M SBL 2 1 11 M SMT 2 Ph M SBV 2 11 -6.9084 5.4563 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 17 18 19 20 21 22 M SBL 3 1 18 M SMT 3 Ph M SBV 3 18 -7.2644 5.6619 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 23 24 25 26 27 28 M SBL 4 1 25 M SMT 4 ^Ph M SBV 4 25 -7.6202 5.0445 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003047 > ALDRICH > 376728 > FLUKA > 14823 > - > - > 16249895 $$$$ 29 28 0 0 0 0 0 0 0 0 1 V2000 0.9406 1.1522 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 1.7657 1.1522 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.1768 1.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1768 0.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 1.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7643 2.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7643 -0.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 0.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5819 2.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7583 -0.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.1572 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 -0.9357 -1.1580 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -1.7607 -1.1522 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.1768 -1.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1669 -0.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0019 -1.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7693 -2.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7494 0.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 -0.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5869 -2.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7443 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3977 0.7549 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.9166 -1.1252 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.0136 -1.4077 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.3900 -0.7644 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.4349 -0.7659 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.0104 1.3953 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.9114 1.1066 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.4272 0.7506 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 2 3 1 0 2 4 1 0 3 5 1 0 6 3 1 0 4 7 1 0 8 4 1 0 12 13 1 0 13 14 1 0 13 15 1 0 14 16 1 0 17 14 1 0 15 18 1 0 19 15 1 0 14 20 1 0 15 21 1 0 3 9 1 0 4 10 1 0 1 2 1 0 1 22 1 0 22 29 1 0 23 24 1 0 12 24 1 0 12 25 1 0 25 26 1 0 23 26 1 0 1 27 1 0 27 28 1 0 28 29 1 0 M RAD 8 1 2 12 2 22 2 23 2 24 2 25 2 26 2 27 2 M RAD 2 28 2 29 2 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 1 22 M SBL 1 2 19 20 M SMT 1 C• M SBV 1 19 0.5429 0.3973 M SBV 1 20 0.5429 0.3973 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 1 23 M SBL 2 2 21 25 M SMT 2 C• M SBV 2 21 -0.9030 -0.2825 M SBV 2 25 -0.4816 0.3593 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 1 24 M SBL 3 2 21 22 M SMT 3 C• M SBV 3 21 0.9030 0.2825 M SBV 3 22 -0.9493 0.2497 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 1 25 M SBL 4 2 23 24 M SMT 4 C• M SBV 4 23 -0.5457 -0.3936 M SBV 4 24 -0.5457 -0.3936 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 1 26 M SBL 5 2 25 24 M SMT 5 C• M SBV 5 25 0.4816 -0.3593 M SBV 5 24 -0.8250 0.0015 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 1 27 M SBL 6 2 26 27 M SMT 6 C• M SBV 6 26 0.9510 -0.2431 M SBV 6 27 -0.9010 -0.2887 M STY 1 7 SUP M SLB 1 7 7 M SAL 7 1 28 M SBL 7 2 27 28 M SMT 7 ^C• M SBV 7 27 0.9010 0.2887 M SBV 7 28 0.9010 0.2887 M STY 1 8 SUP M SLB 1 8 8 M SAL 8 1 29 M SBL 8 2 28 20 M SMT 8 C• M SBV 8 28 -0.4841 0.3560 M SBV 8 20 0.8250 0.0043 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01630818 > ALDRICH > 695149 > - > - > - > - > 16249895 $$$$ 28 31 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6209 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2012 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6123 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2012 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6209 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8541 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2652 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0873 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4984 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0873 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2652 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8541 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2652 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0873 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4984 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0873 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2652 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8541 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2652 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0873 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4984 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0873 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2652 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 4 5 1 0 0 0 5 6 2 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 5 10 1 0 0 0 3 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 11 16 1 0 0 0 4 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 17 22 1 0 0 0 3 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 23 28 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 5 6 7 8 9 10 M SBL 1 1 4 M SMT 1 Ph M SBV 1 4 -6.2469 5.3833 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 11 12 13 14 15 16 M SBL 2 1 11 M SMT 2 ^Ph M SBV 2 11 -6.6580 5.3833 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 17 18 19 20 21 22 M SBL 3 1 18 M SMT 3 Ph M SBV 3 18 -5.4248 4.6714 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 23 24 25 26 27 28 M SBL 4 1 25 M SMT 4 ^Ph M SBV 4 25 -6.6580 4.6714 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003045 > ALDRICH > 287954 > - > - > - > - > 16249895 $$$$ 28 31 0 0 0 0 0 0 0 0 1 V2000 -1.5617 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8497 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2737 0.2055 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.1377 -0.2055 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.2734 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6845 -1.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5066 -1.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9177 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5066 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6845 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8626 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4515 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6294 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2183 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6294 1.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4515 1.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2186 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8075 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9854 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9854 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8075 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6294 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8626 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2737 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8626 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 4 5 1 0 0 0 5 6 2 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 5 10 1 0 0 0 3 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 11 16 1 0 0 0 3 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 17 22 1 0 0 0 4 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 23 28 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 5 6 7 8 9 10 M SBL 1 1 4 M SMT 1 Ph M SBV 1 4 -6.4994 4.7736 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 11 12 13 14 15 16 M SBL 2 1 11 M SMT 2 Ph M SBV 2 11 -6.4994 5.5957 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 17 18 19 20 21 22 M SBL 3 1 18 M SMT 3 ^Ph M SBV 3 18 -6.8554 4.9791 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 23 24 25 26 27 28 M SBL 4 1 25 M SMT 4 Ph M SBV 4 25 -6.1434 5.3902 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00063219 > ALDRICH > 287970 > - > - > - > - > 16249895 $$$$ 28 31 0 0 0 0 0 0 0 0 1 V2000 -1.5613 -0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4925 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -0.2201 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.9739 -0.2244 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.9735 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 -0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7395 -0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3275 -0.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7398 0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5649 0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3134 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9024 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0834 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3238 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0822 0.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8931 0.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7399 -0.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -0.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9739 -0.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9736 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1486 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7456 0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1567 0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9771 0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9777 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1619 -0.4792 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 1 4 1 0 0 0 4 5 1 0 0 0 5 6 2 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 5 10 1 0 0 0 4 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 11 16 1 0 0 0 3 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 17 22 1 0 0 0 3 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 23 28 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 5 6 7 8 9 10 M SBL 1 1 4 M SMT 1 ^Ph M SBV 1 4 -6.5210 4.2196 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 11 12 13 14 15 16 M SBL 2 1 11 M SMT 2 Ph M SBV 2 11 -5.8609 4.6567 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 17 18 19 20 21 22 M SBL 3 1 18 M SMT 3 Ph M SBV 3 18 -5.6985 4.2217 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 23 24 25 26 27 28 M SBL 4 1 25 M SMT 4 ^Ph M SBV 4 25 -7.1840 4.6636 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003046 > ALDRICH > 327646 > - > - > - > - > 16249895 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.7862 -0.2063 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2063 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.0284 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.0284 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 2 7 1 0 0 0 5 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009609 > ALDRICH > 261920 > - > - > - > - > 16249895 $$$$ 48 51 0 0 0 0 0 0 0 0 1 V2000 -2.3877 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1147 0.2062 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.4002 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3143 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0287 -0.2063 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3877 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1147 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0287 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4002 2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1147 2.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8291 2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8291 1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1022 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1022 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3877 1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3143 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3143 -2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0287 -2.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7432 -2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7432 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1022 -0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8167 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8167 -1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1022 -1.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3877 -1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1022 0.5557 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.5287 -0.2678 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.5287 -1.9150 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1022 -2.7385 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6757 -1.9150 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 -1.0298 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 -2.6770 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0287 -3.5005 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4552 -2.6770 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4552 -1.0298 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5287 -0.0329 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5287 1.6142 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1022 2.4378 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6757 1.6142 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 2.6770 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1147 3.5005 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5411 2.6770 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4002 1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 1.0298 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5411 1.0298 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1022 -0.8594 0.0000 F 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 2 7 1 0 0 0 5 8 1 0 0 0 7 45 2 0 0 0 45 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 6 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 6 1 0 0 0 8 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 8 1 0 0 0 1 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 27 1 1 0 0 0 23 28 1 0 0 0 24 29 1 0 0 0 25 30 1 0 0 0 26 31 1 0 0 0 27 32 1 0 0 0 18 33 1 0 0 0 19 34 1 0 0 0 20 35 1 0 0 0 21 36 1 0 0 0 22 37 1 0 0 0 14 38 1 0 0 0 15 39 1 0 0 0 16 40 1 0 0 0 17 41 1 0 0 0 9 42 1 0 0 0 10 43 1 0 0 0 11 44 1 0 0 0 45 46 1 0 0 0 12 47 1 0 0 0 13 48 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00058841 > ALDRICH > 488143 > - > - > - > - > 16249895 $$$$ 26 29 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4402 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2623 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6734 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2623 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4402 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2041 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0262 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4373 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0262 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2041 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0291 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4402 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6734 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4402 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4402 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2623 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6734 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2623 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4402 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 3 8 1 0 0 0 2 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 9 14 1 0 0 0 2 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 15 20 1 0 0 0 1 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 21 26 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 3 4 5 6 7 8 M SBL 1 1 2 M SMT 1 ^Ph M SBV 1 2 -5.4549 3.8120 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 9 10 11 12 13 14 M SBL 2 1 9 M SMT 2 Ph M SBV 2 9 -5.0438 3.8120 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 15 16 17 18 19 20 M SBL 3 1 16 M SMT 3 Ph M SBV 3 16 -4.2217 4.5240 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 21 22 23 24 25 26 M SBL 4 1 23 M SMT 4 ^Ph M SBV 4 23 -5.4549 4.5240 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003042 > ALDRICH > 310190 > - > - > - > - > 16249895 $$$$ 42 48 0 0 0 0 0 0 0 0 1 V2000 -1.4095 1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1317 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1476 0.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4412 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7189 0.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7031 1.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7098 0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7256 1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0192 1.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4162 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 0.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1543 1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4479 1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4569 -0.9972 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.4434 -1.0091 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7337 1.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6953 1.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 -1.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6305 -1.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4546 -1.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8682 -1.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4539 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6245 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9197 -1.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7408 -1.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1506 -1.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7412 -0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9226 -0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2276 -1.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6387 -0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4592 -0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8682 -1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4598 -1.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6436 -1.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5191 -1.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9301 -0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7552 -0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1699 -1.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7541 -1.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9214 -1.9430 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 8 9 2 0 0 0 9 10 1 0 0 0 10 6 1 0 0 0 8 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 9 1 0 0 0 4 15 1 0 0 0 11 16 1 0 0 0 10 17 1 0 0 0 10 18 1 0 0 0 16 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 19 24 1 0 0 0 16 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 25 30 1 0 0 0 15 31 1 0 0 0 31 32 2 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 31 36 1 0 0 0 15 37 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 39 40 2 0 0 0 40 41 1 0 0 0 41 42 2 0 0 0 37 42 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 19 20 21 22 23 24 M SBL 1 1 21 M SMT 1 Ph M SBV 1 21 -5.0604 3.0099 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 25 26 27 28 29 30 M SBL 2 1 28 M SMT 2 ^Ph M SBV 2 28 -5.7713 2.9737 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 31 32 33 34 35 36 M SBL 3 1 35 M SMT 3 ^Ph M SBV 3 35 -6.6072 3.0027 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 37 38 39 40 41 42 M SBL 4 1 42 M SMT 4 Ph M SBV 4 42 -5.8986 2.9788 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00233866 > ALDRICH > 526460 > - > - > - > - > 16249895 $$$$ 40 46 0 0 0 0 0 0 0 0 1 V2000 -1.4095 1.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1317 1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1476 0.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4412 0.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7189 0.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7031 1.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 0.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7527 0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7256 1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0192 1.7221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4162 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1543 1.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4479 1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4569 -0.8080 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.4434 -0.8199 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 -1.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6305 -1.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4546 -1.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8682 -1.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4539 -0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6245 -0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5063 -1.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9173 -1.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7398 -1.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1514 -1.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7397 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9162 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5157 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9268 -0.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7481 -0.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1582 -1.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7484 -1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9292 -1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2276 -1.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6387 -0.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4592 -0.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8682 -0.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4598 -1.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6436 -1.7072 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 8 9 2 0 0 0 9 10 1 0 0 0 10 6 1 0 0 0 8 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 9 1 0 0 0 4 15 1 0 0 0 11 16 1 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 17 22 1 0 0 0 16 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 23 28 1 0 0 0 15 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 29 34 1 0 0 0 15 35 1 0 0 0 35 36 2 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 39 40 2 0 0 0 35 40 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 17 18 19 20 21 22 M SBL 1 1 19 M SMT 1 Ph M SBV 1 19 -5.0604 3.1991 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 23 24 25 26 27 28 M SBL 2 1 26 M SMT 2 ^Ph M SBV 2 26 -5.7736 3.1695 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 29 30 31 32 33 34 M SBL 3 1 33 M SMT 3 Ph M SBV 3 33 -5.8953 3.1759 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 35 36 37 38 39 40 M SBL 4 1 40 M SMT 4 ^Ph M SBV 4 40 -6.6072 3.1919 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03788937 > ALDRICH > 666564 > - > - > - > - > 16249895 $$$$ 39 44 0 0 0 0 0 0 0 0 1 V2000 0.1340 -0.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8484 -0.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5629 -0.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2774 -0.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5805 -0.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -0.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5805 -1.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5629 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2774 -1.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9918 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9918 -0.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2774 0.7784 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.5805 0.7755 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6356 0.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0467 1.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8688 1.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2799 0.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8688 0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0467 0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2221 0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 1.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9889 1.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5778 0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9889 0.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 0.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5103 0.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 1.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2771 1.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2771 0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3476 0.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7586 1.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5808 1.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9918 0.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5808 0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7586 0.2691 0.0000 C 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 2 0 0 0 1 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 1 2 0 0 0 3 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 4 1 0 0 0 14 4 1 0 0 0 5 15 1 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 16 21 1 0 0 0 14 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 22 27 1 0 0 0 14 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 31 32 1 0 0 0 32 33 2 0 0 0 28 33 1 0 0 0 15 34 1 0 0 0 34 35 2 0 0 0 35 36 1 0 0 0 36 37 2 0 0 0 37 38 1 0 0 0 38 39 2 0 0 0 34 39 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 16 17 18 19 20 21 M SBL 1 1 17 M SMT 1 Ph M SBV 1 17 -4.6746 5.7878 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 22 23 24 25 26 27 M SBL 2 1 24 M SMT 2 Ph M SBV 2 24 -4.6748 5.7885 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 28 29 30 31 32 33 M SBL 3 1 31 M SMT 3 ^Ph M SBV 3 31 -5.3866 5.7878 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 34 35 36 37 38 39 M SBL 4 1 38 M SMT 4 ^Ph M SBV 4 38 -5.3866 5.7878 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00233863 > ALDRICH > 510017 > - > - > - > - > 16249895 $$$$ 37 41 0 0 0 0 0 0 0 0 1 V2000 -2.1421 0.2062 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7131 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 -0.2063 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7158 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1447 0.2062 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4124 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8235 -1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6456 -1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0567 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6456 0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8235 0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5558 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9669 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2001 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9669 1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9118 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3229 -0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 -0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5561 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3229 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3199 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4978 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0867 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4978 1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3199 1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9118 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3229 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1450 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5561 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1450 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3229 -0.7120 0.0000 C 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 4 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 8 13 1 0 0 0 7 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 14 19 1 0 0 0 7 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 20 25 1 0 0 0 1 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 26 31 1 0 0 0 1 32 1 0 0 0 32 33 2 0 0 0 33 34 1 0 0 0 34 35 2 0 0 0 35 36 1 0 0 0 36 37 2 0 0 0 32 37 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 8 9 10 11 12 13 M SBL 1 1 7 M SMT 1 Ph M SBV 1 7 -7.6287 5.8538 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 14 15 16 17 18 19 M SBL 2 1 14 M SMT 2 Ph M SBV 2 14 -7.6287 6.6759 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 20 21 22 23 24 25 M SBL 3 1 21 M SMT 3 Ph M SBV 3 21 -7.2727 6.0593 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 26 27 28 29 30 31 M SBL 4 1 28 M SMT 4 Ph M SBV 4 28 -7.6287 6.6759 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 6 32 33 34 35 36 37 M SBL 5 1 35 M SMT 5 ^Ph M SBV 5 35 -8.8095 6.0586 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003048 > ALDRICH > 259101 > - > - > - > - > 16249895 $$$$ 40 45 0 0 0 0 0 0 0 0 1 V2000 -1.5604 -1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5604 -0.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2749 -0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9894 -0.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9894 -1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2749 -1.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 -0.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1364 -0.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1364 -1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -1.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 -1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 -0.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 0.7562 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.2749 0.7562 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 0.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4062 1.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9951 0.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1735 0.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 1.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1733 1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9936 1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2912 1.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7023 1.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5249 1.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9366 1.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5247 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7007 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2198 0.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8088 0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9866 0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5755 0.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9866 1.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8088 1.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3451 0.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7562 0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5783 0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9894 0.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5783 1.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7562 1.6738 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 2 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 8 2 0 0 0 13 14 1 0 0 0 3 15 1 0 0 0 7 16 2 0 0 0 15 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 17 22 1 0 0 0 14 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 23 28 1 0 0 0 15 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 29 34 1 0 0 0 14 35 1 0 0 0 35 36 2 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 39 40 2 0 0 0 35 40 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 17 18 19 20 21 22 M SBL 1 1 18 M SMT 1 Ph M SBV 1 18 -4.2322 4.6419 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 23 24 25 26 27 28 M SBL 2 1 25 M SMT 2 ^Ph M SBV 2 25 -5.9702 4.6419 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 29 30 31 32 33 34 M SBL 3 1 32 M SMT 3 ^Ph M SBV 3 32 -5.0458 4.5998 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 35 36 37 38 39 40 M SBL 4 1 39 M SMT 4 Ph M SBV 4 39 -4.3338 4.5998 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD11045384 > ALDRICH > 692344 > - > - > - > - > 16249895 $$$$ 25 24 0 0 0 0 0 0 0 0 1 V2000 -0.0576 0.3039 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2.7646 2.4600 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.0012 2.3504 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.1098 2.6397 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.5262 1.9907 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.8422 2.3915 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.2988 1.9966 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 2.7646 2.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9425 2.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1757 3.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7646 2.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1757 1.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9425 2.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9425 -1.7480 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -1.7746 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.9644 -1.4853 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.5480 -2.1343 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 1.9164 -1.7335 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 1.3730 -2.1284 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -2.3535 -1.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1757 -1.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9425 -0.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3535 -2.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9425 -3.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1757 -2.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 7 1 0 0 0 6 7 1 0 0 0 2 6 1 0 0 0 2 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 2 11 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 18 19 1 0 0 0 15 14 1 0 0 0 14 20 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 14 23 1 0 0 0 23 24 1 0 0 0 23 25 1 0 0 0 M RAD 1 3 2 M RAD 1 4 2 M RAD 1 5 2 M RAD 1 6 2 M RAD 1 7 2 M RAD 1 15 2 M RAD 1 16 2 M RAD 1 17 2 M RAD 1 18 2 M RAD 1 19 2 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 8 9 10 M SBL 1 1 7 M SMT 1 i-Pr M SBV 1 7 -6.5248 6.2340 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 11 12 13 M SBL 2 1 10 M SMT 2 i-Pr M SBV 2 10 -6.5248 6.2340 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 20 21 22 M SBL 3 1 19 M SMT 3 ^i-Pr M SBV 3 19 -6.9359 6.9460 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 3 23 24 25 M SBL 4 1 22 M SMT 4 ^i-Pr M SBV 4 22 -6.9359 5.5220 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02684559 > ALDRICH > 578266 > - > - > - > - > 16249895 $$$$ 32 36 0 0 0 0 0 0 0 0 1 V2000 -0.1353 0.8243 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.8498 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8498 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5642 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2787 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2787 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5642 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1378 -0.8243 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.5488 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9599 -0.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -0.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1931 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9599 -1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6344 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0455 -0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8676 -0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2787 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8676 1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0455 1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5464 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9574 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7796 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1906 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7796 0.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9574 0.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1929 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4261 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8371 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4261 -1.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 -1.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 2 1 0 0 0 3 8 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 9 14 1 0 0 0 1 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 15 20 1 0 0 0 1 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 21 26 1 0 0 0 8 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 27 32 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 9 10 11 12 13 14 M SBL 1 1 9 M SMT 1 Ph M SBV 1 9 -9.7882 6.7038 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 15 16 17 18 19 20 M SBL 2 1 16 M SMT 2 Ph M SBV 2 16 -8.6074 6.9087 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 21 22 23 24 25 26 M SBL 3 1 23 M SMT 3 Ph M SBV 3 23 -9.7882 7.5260 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 27 28 29 30 31 32 M SBL 4 1 30 M SMT 4 Ph M SBV 4 30 -9.4322 7.3204 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00014081 > ALDRICH > 460273 > - > - > - > - > 16249895 $$$$ 32 35 0 0 0 0 0 0 0 0 1 V2000 -3.5271 0.2055 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.8126 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0981 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3837 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6692 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0453 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7597 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4717 -0.2055 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0056 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1835 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2276 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1835 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0056 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8828 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2939 -1.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 -1.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5271 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2939 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7049 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8828 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4717 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8828 1.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7049 1.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4718 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0607 -0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2386 -0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8275 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2386 0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0607 0.7113 0.0000 C 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 7 8 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 9 14 1 0 0 0 8 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 15 20 1 0 0 0 1 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 21 26 1 0 0 0 1 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 27 32 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 9 10 11 12 13 14 M SBL 1 1 8 M SMT 1 Ph M SBV 1 8 -7.3044 5.9712 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 15 16 17 18 19 20 M SBL 2 1 15 M SMT 2 Ph M SBV 2 15 -6.8383 5.3546 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 21 22 23 24 25 26 M SBL 3 1 22 M SMT 3 Ph M SBV 3 22 -6.8383 6.1768 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 27 28 29 30 31 32 M SBL 4 1 29 M SMT 4 ^Ph M SBV 4 29 -7.1941 5.5594 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003053 > ALDRICH > 287989 > - > - > - > - > 16249895 $$$$ 28 31 0 0 0 0 0 0 0 0 1 V2000 -1.7862 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2063 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 2.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -2.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 2 7 1 0 0 0 5 8 1 0 0 0 7 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 7 1 0 0 0 1 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 1 1 0 0 0 6 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 6 1 0 0 0 8 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00015521 > ALDRICH > 479500 > - > - > - > - > 16249895 $$$$ 46 53 0 0 0 0 0 0 0 0 1 V2000 -2.1418 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4274 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4274 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1418 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7129 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7129 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7129 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4274 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4274 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7129 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1418 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8563 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8563 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1418 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8563 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8563 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7985 0.6100 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7995 -0.6059 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7985 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5857 1.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2084 1.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7898 1.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 0.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2171 0.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7995 -0.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5867 0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2074 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7887 -0.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5759 -0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2182 -1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6231 -1.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4452 -1.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8563 -1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4452 -0.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6231 -0.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 1.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4442 0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8553 1.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4442 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 1.7345 0.0000 C 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 2 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 3 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 10 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 11 1 0 0 0 12 18 2 0 0 0 18 13 1 0 0 0 13 9 2 0 0 0 1 19 2 0 0 0 19 20 1 0 0 0 20 4 2 0 0 0 6 21 1 0 0 0 13 22 1 0 0 0 21 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 23 28 1 0 0 0 22 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 29 34 1 0 0 0 22 35 1 0 0 0 35 36 2 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 39 40 2 0 0 0 35 40 1 0 0 0 21 41 1 0 0 0 41 42 2 0 0 0 42 43 1 0 0 0 43 44 2 0 0 0 44 45 1 0 0 0 45 46 2 0 0 0 41 46 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 23 24 25 26 27 28 M SBL 1 1 26 M SMT 1 Ph M SBV 1 26 -4.0956 5.7350 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 29 30 31 32 33 34 M SBL 2 1 33 M SMT 2 Ph M SBV 2 33 -4.0956 5.5215 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 35 36 37 38 39 40 M SBL 3 1 40 M SMT 3 Ph M SBV 3 40 -3.6831 5.1090 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 41 42 43 44 45 46 M SBL 4 1 47 M SMT 4 Ph M SBV 4 47 -3.6831 5.9340 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010805 > ALDRICH > 481084 > FLUKA > 17386 > - > - > 16249895 $$$$ 50 57 0 0 0 0 0 0 0 0 1 V2000 3.3835 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9031 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9031 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3835 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4227 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9423 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9423 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4227 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4227 -3.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9031 -3.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9031 -4.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4227 -4.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9423 -3.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3835 -3.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8638 -3.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8638 -4.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3835 -4.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9423 -4.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8638 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8638 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5219 -2.6178 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.5219 -1.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0415 -1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0415 -0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5219 -0.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0022 -0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0022 -1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 -2.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8018 -2.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3814 -2.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5367 -2.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1124 -1.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5329 -1.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5219 0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 -1.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5226 -3.5021 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.5226 -4.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -4.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -5.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5226 -5.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0422 -5.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0422 -4.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4360 -3.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5913 -4.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1709 -4.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5952 -4.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4399 -3.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8603 -3.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1727 -4.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5226 -6.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 10 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 12 18 2 0 0 0 0 18 13 1 0 0 0 0 13 9 2 0 0 0 0 1 19 2 0 0 0 0 19 20 1 0 0 0 0 20 4 2 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 22 2 0 0 0 0 21 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 28 1 0 0 0 0 25 34 1 0 0 0 0 31 35 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 36 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 43 2 0 0 0 0 46 49 1 0 0 0 0 40 50 1 0 0 0 0 13 36 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01311709 > ALDRICH > 668982 > - > - > - > - > 16249895 $$$$ 34 36 0 0 0 0 0 0 0 0 1 V2000 -1.0417 1.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7798 0.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0734 0.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3511 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3353 1.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3553 0.0529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1205 0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0934 1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 1.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5062 0.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5221 1.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8156 1.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0892 -0.8276 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.8111 -0.8395 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.1014 2.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3275 2.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8111 -0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4001 -1.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 -0.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2222 -0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0657 -1.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6471 -2.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4824 -2.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4844 -0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8101 -1.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -1.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5221 -1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2211 -0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2166 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2166 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6056 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2166 -1.6500 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 8 9 2 0 0 0 9 10 1 0 0 0 10 6 1 0 0 0 8 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 9 1 0 0 0 4 15 1 0 0 0 11 16 1 0 0 0 10 17 1 0 0 0 10 18 1 0 0 0 16 19 1 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 19 22 1 0 0 0 16 23 1 0 0 0 23 24 1 0 0 0 23 25 1 0 0 0 23 26 1 0 0 0 15 27 1 0 0 0 27 28 1 0 0 0 27 29 1 0 0 0 27 30 1 0 0 0 15 31 1 0 0 0 31 32 1 0 0 0 31 33 1 0 0 0 31 34 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 19 20 21 22 M SBL 1 1 21 M SMT 1 t-Bu M SBV 1 21 -5.4687 3.3676 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 23 24 25 26 M SBL 2 1 25 M SMT 2 ^t-Bu M SBV 2 25 -6.2141 2.6753 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 27 28 29 30 M SBL 3 1 29 M SMT 3 ^t-Bu M SBV 3 29 -6.1896 2.9724 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 31 32 33 34 M SBL 4 1 33 M SMT 4 t-Bu M SBV 4 33 -4.5961 3.3674 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07781995 > ALDRICH > 667196 > - > - > - > - > 16249895 $$$$ 25 26 0 0 0 0 0 0 0 0 1 V2000 1.5074 1.4410 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.3842 1.6895 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -1.4928 1.9788 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -1.9092 1.3298 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.5408 1.7305 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -1.0842 1.3357 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 2.2772 1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6883 0.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5104 0.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5104 1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6883 1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5101 -1.3525 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.5806 -1.6191 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 1.4720 -1.3298 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 1.0556 -1.9788 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 2.4241 -1.5780 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 1.8806 -1.9729 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -2.2772 -1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6883 -0.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5104 -0.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9215 -1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5104 -1.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6883 -1.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0086 0.0566 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 6 1 0 0 0 5 1 1 0 0 0 1 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 12 2 0 0 0 7 12 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 18 1 0 0 0 14 13 1 0 0 0 13 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 19 24 1 0 0 0 M RAD 1 2 2 M RAD 1 3 2 M RAD 1 4 2 M RAD 1 5 2 M RAD 1 6 2 M RAD 1 14 2 M RAD 1 15 2 M RAD 1 16 2 M RAD 1 17 2 M RAD 1 18 2 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 7 8 9 10 11 12 M SBL 1 1 7 M SMT 1 Ph M SBV 1 7 -6.0639 5.6246 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 19 20 21 22 23 24 M SBL 2 1 20 M SMT 2 ^Ph M SBV 2 20 -7.6007 6.0364 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05865160 > ALDRICH > 555088 > - > - > - > - > 16249895 $$$$ 26 26 0 0 0 0 0 0 0 0 1 V2000 -2.1397 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 1.0298 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -1.0298 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5378 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1064 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 -1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4123 -0.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0166 2.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8388 0.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2997 -2.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4227 -1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1218 -0.7289 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 7 9 1 0 8 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 10 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 9 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 10 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 11 12 13 14 M SBL 1 1 11 M SMT 1 t-Bu M SBV 1 11 0.0000 0.8221 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 15 16 17 18 M SBL 2 1 15 M SMT 2 t-Bu M SBV 2 15 0.0000 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 19 20 21 22 M SBL 3 1 19 M SMT 3 t-Bu M SBV 3 19 -0.7120 -0.4111 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 23 24 25 26 M SBL 4 1 23 M SMT 4 ^t-Bu M SBV 4 23 0.7120 0.4111 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03094573 > ALDRICH > 631922 > - > - > - > - > 16249895 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 4.9363 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6476 -5.9500 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.3588 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0785 -5.9500 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.7897 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6476 -6.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0785 -6.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 2 6 1 0 0 0 0 4 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00058731 > ALDRICH > 592684 > - > - > - > - > 16249895 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.2062 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6187 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2062 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6187 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 4 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01073767 > ALDRICH > 451053 > - > - > - > - > 16249895 $$$$ 28 31 0 0 0 0 0 0 0 0 1 V2000 -1.9189 -0.0558 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.2044 0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2044 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4924 -0.0544 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.8638 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4528 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6306 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2196 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6306 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4528 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5078 -0.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0968 -1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2746 -1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1364 -0.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2746 0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0968 0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2746 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6857 -0.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5078 -0.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9189 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5078 0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6857 0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0814 -0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3297 -1.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1518 -1.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5629 -0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1518 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3297 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 2 4 1 0 0 0 1 5 1 0 0 0 5 6 2 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 5 10 1 0 0 0 1 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 11 16 1 0 0 0 4 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 17 22 1 0 0 0 4 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 23 28 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 5 6 7 8 9 10 M SBL 1 1 4 M SMT 1 ^Ph M SBV 1 4 -4.7857 3.5443 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 11 12 13 14 15 16 M SBL 2 1 11 M SMT 2 Ph M SBV 2 11 -4.4297 2.9277 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 17 18 19 20 21 22 M SBL 3 1 18 M SMT 3 Ph M SBV 3 18 -4.0737 3.5443 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 23 24 25 26 27 28 M SBL 4 1 25 M SMT 4 Ph M SBV 4 25 -4.4297 2.9277 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191809 > ALDRICH > 377147 > - > - > - > - > 16249895 $$$$ 41 42 0 0 0 0 0 0 0 0 1 V2000 -4.0210 0.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 0.9581 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0 -2.3710 0.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2026 1.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2015 0.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 1.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 1.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1192 0.9659 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0 0.7058 0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1128 1.7909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1126 0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9141 -0.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9141 -1.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2015 -1.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -1.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -0.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8293 -0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8293 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1126 -1.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6041 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6041 -0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9365 0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3557 0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9365 1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4335 1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2585 1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6710 0.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2585 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4335 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8489 0.9247 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 4.8520 0.0997 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8465 1.7497 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 0.9247 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0239 0.9305 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 -0.9659 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 3.6489 -1.7909 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6434 -0.1409 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4679 -0.9659 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -0.9601 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 6 3 1 0 7 6 1 0 7 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 5 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 5 1 0 11 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 11 1 0 9 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 9 1 0 1 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 1 1 0 32 33 1 0 32 34 1 0 32 35 1 0 36 32 1 0 37 38 1 0 37 39 1 0 37 40 1 0 41 37 1 0 M CHG 4 2 1 8 1 32 -1 37 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____703028 > ALDRICH > 703028 > - > - > - > - > 16249895 $$$$ 56 63 0 0 0 0 0 0 0 0 1 V2000 4.2366 -1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 -1.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7562 -2.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2759 -1.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2759 -1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7562 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8759 -1.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7562 -2.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7188 -2.2469 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3955 -2.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9151 -1.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9151 -1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3955 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8759 -1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3955 -2.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4329 -2.2469 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9884 -3.8010 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.5070 -3.7698 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.4410 -3.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9077 -3.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7901 -4.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1768 -4.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7766 -4.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1378 -4.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 -5.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 -5.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8048 -5.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0906 -5.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4569 -3.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 -3.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 -4.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 -4.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3019 -4.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6149 -4.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2103 -4.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6397 -4.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5798 -3.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0758 -3.5786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2527 -5.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4859 -5.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0812 -5.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4434 -5.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1947 -4.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6898 -4.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6300 -3.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7188 -2.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7188 -1.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1188 -2.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4329 -2.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4329 -1.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0329 -2.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.4536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9139 -0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7568 -0.4536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2746 -0.7526 0.0000 C 0 0 0 0 0 0 0 0 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 3 8 1 0 0 0 0 2 9 1 0 0 0 0 7 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 7 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 13 53 1 0 0 0 0 6 55 1 0 0 0 0 8 17 1 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 17 1 0 0 0 0 22 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 20 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 21 1 0 0 0 0 18 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 18 1 0 0 0 0 34 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 35 1 0 0 0 0 36 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 37 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 1 2 2 0 0 0 0 53 54 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 55 56 1 0 0 0 0 G 53 13 OCH3 G 55 6 OCH3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 2 53 54 M SBL 1 1 15 M SMT 1 OCH3 M SBV 1 15 0.0000 -0.5900 M SAL 2 2 55 56 M SBL 2 1 16 M SMT 2 OCH3 M SBV 2 16 0.0000 -0.5900 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00233876 > ALDRICH > 699535 > - > - > - > - > 16249895 $$$$ 26 26 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 2.1161 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.5964 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 2.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 2.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6619 3.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -2.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4661 -2.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -3.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1781 -2.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 2.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0576 3.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0655 2.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7646 1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0526 -0.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7695 -1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 11 8 1 0 0 0 9 3 1 0 0 0 10 9 1 0 0 0 23 10 1 0 0 0 10 15 1 0 0 0 8 19 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 19 22 1 0 0 0 23 24 1 0 0 0 23 25 1 0 0 0 23 26 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01630850 > ALDRICH > 702013 > - > - > - > - > 16249895 $$$$ 38 40 0 0 0 0 0 0 0 0 1 V2000 -1.7874 1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7874 0.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 0.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 1.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.0623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 0.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8363 2.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0891 2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.7627 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -1.1737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 0.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.1737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2089 -1.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.7627 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 -1.1737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2089 -2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 -1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2089 0.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2089 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -1.1737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 -1.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -0.7627 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 2 0 9 10 1 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 10 15 1 0 10 16 1 0 3 17 1 0 17 18 1 0 17 23 1 0 18 20 1 0 18 22 1 0 19 20 1 0 21 22 1 0 23 25 1 0 23 27 1 0 24 25 1 0 26 27 1 0 11 28 1 0 28 29 1 0 28 34 1 0 29 31 1 0 29 33 1 0 30 31 1 0 32 33 1 0 34 36 1 0 34 38 1 0 35 36 1 0 37 38 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 11 17 18 19 20 21 22 23 24 25 26 27 M SBL 1 1 19 M SMT 1 P(NEt2)2 M SBV 1 19 0.0000 0.8250 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 11 28 29 30 31 32 33 34 35 36 37 38 M SBL 2 1 30 M SMT 2 P(NEt2)2 M SBV 2 30 0.0000 0.8250 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____709956 > ALDRICH > 709956 > - > - > - > - > 16249895 $$$$ 41 43 0 0 0 0 0 0 0 0 1 V2000 -0.5894 -0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5894 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1251 -1.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8396 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8396 -0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1251 0.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1251 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5869 1.4430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8371 1.4430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3013 -1.4387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5516 -1.4387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0133 -1.0277 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.2636 -1.0277 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.9756 -1.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2636 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7253 -1.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0133 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2636 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5491 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5491 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9756 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4045 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4045 -1.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4398 -1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1543 -1.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1543 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4398 -2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7253 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0133 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7278 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7278 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8371 2.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5491 2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2501 -0.2285 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 -4.4045 -0.0050 0.0000 B 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 6 7 1 0 7 8 2 0 7 9 1 0 2 10 1 0 4 11 1 0 10 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 12 16 1 0 12 17 1 0 15 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 15 2 0 14 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 14 2 0 16 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 16 2 0 17 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 17 2 0 9 38 1 0 38 39 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____694223 > ALDRICH > 694223 > - > - > - > - > 16249895 $$$$ 54 61 0 0 0 0 0 0 0 0 1 V2000 4.9260 -2.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9302 -3.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4373 -2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4373 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9177 -1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3981 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3981 -2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8785 -1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3589 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3589 -2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8785 -2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4106 -4.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4106 -4.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9302 -5.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4498 -4.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4498 -4.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -3.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3714 -4.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3714 -4.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -5.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0373 -2.6021 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.0373 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6373 -2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0498 -4.2771 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.6498 -4.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0498 -4.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5302 -5.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5302 -5.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0498 -6.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5694 -5.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5694 -5.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9498 -4.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5498 -4.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8498 -4.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5498 -3.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9498 -3.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5569 -1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5569 -1.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0373 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5177 -1.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5177 -1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9373 -3.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5373 -3.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8373 -2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5373 -2.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9373 -2.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0124 -6.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0872 -6.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8488 -5.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8363 -1.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 -0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9999 -0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1377 -3.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1085 -3.6211 0.0000 C 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 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 1 1 0 0 0 0 6 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 7 1 0 0 0 0 2 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 2 1 0 0 0 0 12 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 13 1 0 0 0 0 3 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 16 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 25 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 25 1 0 0 0 0 22 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 22 1 0 0 0 0 23 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 23 1 0 0 0 0 28 47 1 0 0 0 0 30 48 1 0 0 0 0 33 49 1 0 0 0 0 45 50 1 0 0 0 0 38 51 1 0 0 0 0 40 52 1 0 0 0 0 43 53 1 0 0 0 0 35 54 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01630821 > ALDRICH > 697710 > - > - > - > - > 16249895 $$$$