34 35 0 0 1 0 0 0 0 0 1 V2000 -0.3125 -0.5014 0.0324 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1000 0.2120 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 0.9282 0.0324 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9252 0.2120 0.0324 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -1.2147 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 -1.9309 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.6442 0.0324 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2837 0.1690 0.0324 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4182 0.1690 0.0324 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2432 0.1690 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4182 0.9942 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4182 -0.6560 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1344 -1.0714 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1344 -1.8993 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4182 -2.3121 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7049 -1.8993 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7049 -1.0714 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6559 0.8852 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4839 0.8852 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8993 0.1690 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4839 -0.5501 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6559 -0.5501 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7049 1.4067 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7049 2.2317 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4182 2.6442 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1344 2.2317 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1344 1.4067 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7577 -0.3315 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4709 0.0803 0.0114 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7596 -1.1518 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4692 0.9007 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1861 -0.3282 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 1.3092 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8993 0.0835 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 1 8 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 12 17 1 0 0 0 0 10 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 10 22 1 0 0 0 0 11 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 11 27 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 1 5 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD04973280 > F > 73828 > - > - > - > - $$$$ 44 49 0 0 1 0 0 0 0 0 1 V2000 7.6545 -5.0473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0670 -4.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6545 -3.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8922 -4.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0670 -5.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6545 -6.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0670 -7.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9118 -4.8462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6545 -7.9037 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3610 -5.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6474 -4.9546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3610 -6.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9312 -5.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2179 -4.9546 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1319 -4.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3213 -3.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9029 -4.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4531 -5.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0894 -4.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8286 -5.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3788 -6.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 -6.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6821 -3.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4213 -2.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6078 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0547 -3.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8291 -7.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4791 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -8.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9342 -9.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9293 -9.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6388 -10.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3547 -9.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3560 -9.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8928 -8.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7167 -8.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1266 -7.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7066 -7.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8841 -7.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4252 -7.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6006 -7.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1802 -7.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5905 -8.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4137 -8.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 18 22 1 0 0 0 0 15 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 16 26 1 0 0 0 0 9 27 1 0 0 0 0 1 2 1 0 0 0 0 9 28 1 0 0 0 0 2 3 2 0 0 0 0 9 29 1 0 0 0 0 2 4 1 0 0 0 0 29 30 2 0 0 0 0 1 5 1 0 0 0 0 30 31 1 0 0 0 0 5 6 1 0 0 0 0 31 32 2 0 0 0 0 6 7 1 0 0 0 0 32 33 1 0 0 0 0 1 8 1 6 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 7 9 1 0 0 0 0 28 35 2 0 0 0 0 8 10 1 0 0 0 0 35 36 1 0 0 0 0 10 11 1 0 0 0 0 36 37 2 0 0 0 0 10 12 2 0 0 0 0 37 38 1 0 0 0 0 11 13 1 0 0 0 0 38 39 2 0 0 0 0 39 28 1 0 0 0 0 13 14 1 0 0 0 0 27 40 2 0 0 0 0 14 15 1 0 0 0 0 40 41 1 0 0 0 0 15 16 2 0 0 0 0 41 42 2 0 0 0 0 16 17 1 0 0 0 0 42 43 1 0 0 0 0 17 18 2 0 0 0 0 43 44 2 0 0 0 0 44 27 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00270544 > F > 96744 > - > - > - > - $$$$ 44 49 0 0 1 0 0 0 0 0 1 V2000 7.0045 -5.0473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4170 -4.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0045 -3.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2422 -4.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4170 -5.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0045 -6.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4170 -7.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2618 -4.8462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0045 -7.9037 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7110 -5.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9974 -4.9546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 -6.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2812 -5.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5679 -4.9546 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4819 -4.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6713 -3.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2529 -4.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8031 -5.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4394 -4.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1786 -5.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7288 -6.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5394 -6.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0321 -3.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7713 -2.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9578 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4047 -3.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1791 -7.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8291 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -8.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2842 -9.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 -9.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9888 -10.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7047 -9.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7060 -9.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2428 -8.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -8.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4766 -7.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0566 -7.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2341 -7.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7752 -7.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9506 -7.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5302 -7.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9405 -8.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7637 -8.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 18 22 1 0 0 0 0 15 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 16 26 1 0 0 0 0 9 27 1 0 0 0 0 1 2 1 0 0 0 0 9 28 1 0 0 0 0 2 3 2 0 0 0 0 9 29 1 0 0 0 0 2 4 1 0 0 0 0 29 30 2 0 0 0 0 1 5 1 0 0 0 0 30 31 1 0 0 0 0 5 6 1 0 0 0 0 31 32 2 0 0 0 0 6 7 1 0 0 0 0 32 33 1 0 0 0 0 1 8 1 1 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 7 9 1 0 0 0 0 28 35 2 0 0 0 0 8 10 1 0 0 0 0 35 36 1 0 0 0 0 10 11 1 0 0 0 0 36 37 2 0 0 0 0 10 12 2 0 0 0 0 37 38 1 0 0 0 0 11 13 1 0 0 0 0 38 39 2 0 0 0 0 39 28 1 0 0 0 0 13 14 1 0 0 0 0 27 40 2 0 0 0 0 14 15 1 0 0 0 0 40 41 1 0 0 0 0 15 16 2 0 0 0 0 41 42 2 0 0 0 0 16 17 1 0 0 0 0 42 43 1 0 0 0 0 17 18 2 0 0 0 0 43 44 2 0 0 0 0 44 27 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD01631663 > F > 95727 > - > - > - > - $$$$ 15 14 0 0 1 0 0 0 0 0 1 V2000 6.5958 -6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5958 -6.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -5.6333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1667 -6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3083 -5.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -4.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -5.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5125 -6.4625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -5.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -7.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 -6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -6.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 6 0 0 0 7 4 1 0 0 0 0 9 7 1 0 0 0 0 10 9 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 8 1 0 0 0 0 14 13 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD03427064 > A > 544051 > - > - > - > - $$$$ 8 7 0 0 1 0 0 0 0 0 1 V2000 7.0458 -6.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -7.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -6.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7583 -6.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -5.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -6.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -6.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -6.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 3 5 1 1 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00077786 > F > 53595 > S > H4021 > - > - $$$$ 8 7 0 0 1 0 0 0 0 0 1 V2000 5.0250 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -5.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -4.1167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7375 -4.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -3.3083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5958 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -4.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 3 5 1 6 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00063090 > F > 53600 > - > - > - > - $$$$ 15 13 0 0 1 0 0 0 0 0 1 V2000 0.5036 -5.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5088 -5.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5015 -4.4063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2244 -5.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2172 -5.6420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7953 -5.2202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2120 -5.6457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5110 -6.4559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8021 -4.3104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9328 -5.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0797 -5.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6505 -5.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3619 -5.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -7.3125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -7.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 11 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 6 9 1 6 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 14 15 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00012622 > F > 53460 > S > H1007 > - > - $$$$ 23 24 0 0 1 0 0 0 0 0 1 V2000 5.2667 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -1.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -2.4875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0542 -2.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -4.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -4.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -6.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -6.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 2 1 6 0 0 0 5 1 2 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 12 2 0 0 0 0 16 13 2 0 0 0 0 17 13 1 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 20 17 2 0 0 0 0 21 14 2 0 0 0 0 22 21 1 0 0 0 0 23 20 1 0 0 0 0 23 19 2 0 0 0 0 22 18 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00038796 > F > 09968 > - > - > - > - $$$$ 13 13 0 0 1 0 0 0 0 0 1 V2000 5.0250 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -5.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -4.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7375 -4.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -3.3083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5958 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4536 -4.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7416 -4.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7422 -5.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4607 -5.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1697 -5.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 6 1 0 0 0 0 7 9 2 0 0 0 0 2 1 2 0 0 0 0 9 10 1 0 0 0 0 3 1 1 0 0 0 0 10 11 2 0 0 0 0 4 1 1 0 0 0 0 11 12 1 0 0 0 0 3 5 1 1 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00063091 > A > 294365 > F > 53565 > - > - $$$$ 13 13 0 0 1 0 0 0 0 0 1 V2000 5.4477 -6.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8602 -6.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4477 -5.4036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8602 -4.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4477 -3.9740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6855 -4.6903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7049 -5.4359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8602 -7.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4448 -8.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8602 -8.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6796 -8.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0951 -8.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6796 -7.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 0 0 0 1 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 8 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00002619 > A > 294373 > - > - > - > - $$$$ 17 18 0 0 1 0 0 0 0 0 1 V2000 7.4292 -7.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -6.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -6.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7667 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -8.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -4.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -5.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 4 3 1 6 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 9 10 1 0 0 0 0 15 17 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00674555 > F > 96304 > - > - > - > - $$$$ 17 16 0 0 1 0 0 0 0 0 1 V2000 4.6417 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -7.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -6.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2375 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -6.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -5.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -7.3375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -7.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -7.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -7.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 1 0 0 0 7 4 1 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 9 2 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 11 2 0 0 0 0 16 14 2 0 0 0 0 17 8 1 0 0 0 0 15 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD03095466 > F > 75854 > - > - > - > - $$$$ 30 33 0 0 1 0 0 0 0 0 1 V2000 0.4542 -0.3083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4333 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8542 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3708 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -1.5583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8833 -0.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -0.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -0.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -1.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5833 -3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5542 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -4.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8583 -4.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9167 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6833 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -5.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 11 1 0 0 0 0 7 6 1 0 0 0 0 8 10 1 0 0 0 0 9 1 1 0 0 0 0 10 7 1 1 0 0 0 11 9 1 0 0 0 0 12 6 2 0 0 0 0 13 8 2 0 0 0 0 14 10 1 0 0 0 0 15 8 1 0 0 0 0 16 14 1 0 0 0 0 17 2 1 0 0 0 0 18 3 1 0 0 0 0 19 5 1 0 0 0 0 20 4 1 0 0 0 0 21 16 1 0 0 0 0 22 21 2 0 0 0 0 23 21 1 0 0 0 0 24 25 1 0 0 0 0 25 20 2 0 0 0 0 26 19 2 0 0 0 0 27 26 1 0 0 0 0 28 22 1 0 0 0 0 29 23 2 0 0 0 0 30 28 2 0 0 0 0 3 2 1 0 0 0 0 24 18 2 0 0 0 0 17 27 2 0 0 0 0 29 30 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00151917 > F > 47429 > - > - > - > - $$$$ 30 33 0 0 1 0 0 0 0 0 1 V2000 5.2497 -5.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9592 -5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9513 -4.4008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6608 -3.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 -3.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3798 -4.3867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2576 -6.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 -3.8064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5455 -6.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 -7.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2733 -8.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9874 -7.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9763 -6.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3215 -4.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0592 -3.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2370 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9913 -4.2971 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6615 -4.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7561 -5.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5107 -5.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1707 -5.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0762 -4.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4628 -2.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0441 -2.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2220 -2.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8184 -2.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2119 -4.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5952 -4.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8159 -4.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6521 -5.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 3 8 1 6 0 0 0 8 29 1 0 0 0 0 7 9 2 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 2 3 1 0 0 0 0 10 11 2 0 0 0 0 3 4 1 0 0 0 0 11 12 1 0 0 0 0 4 5 2 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 4 6 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 14 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 14 22 1 0 0 0 0 15 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 16 26 1 0 0 0 0 17 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 G 29 8 Fmoc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 M SAL 1 2 29 30 M SBL 1 1 3 M SMT 1 Fmoc M SBV 1 3 0.5300 0.4700 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00077046 > F > 47430 > - > - > - > - $$$$ 22 23 0 0 1 0 0 0 0 0 1 V2000 3.7417 -0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -1.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -1.6875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3250 -0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7333 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3208 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5583 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0333 -0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3792 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 1 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 10 2 0 0 0 0 13 9 2 0 0 0 0 14 9 1 0 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 17 14 2 0 0 0 0 18 15 2 0 0 0 0 19 12 1 0 0 0 0 20 13 1 0 0 0 0 21 19 2 0 0 0 0 22 17 1 0 0 0 0 22 20 2 0 0 0 0 18 21 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD03453231 > F > 71044 > - > - > - > - $$$$ 20 20 0 0 1 0 0 0 0 0 1 V2000 6.9951 -6.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7136 -7.0699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7173 -7.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4358 -8.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0083 -8.3045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4266 -6.6543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2748 -7.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5558 -6.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5558 -5.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8377 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1222 -5.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1293 -6.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -7.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3552 -6.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1634 -6.0367 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9629 -5.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3638 -6.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9716 -5.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1435 -7.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7409 -6.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 2 3 1 0 0 0 0 10 11 2 0 0 0 0 3 4 2 0 0 0 0 11 12 1 0 0 0 0 3 5 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 2 6 1 1 0 0 0 7 1 1 0 0 0 0 7 8 1 0 0 0 0 6 19 1 0 0 0 0 8 9 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 20 2 0 0 0 0 14 19 1 0 0 0 0 G 19 6 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 14 15 16 17 18 19 20 M SBL 1 1 13 M SMT 1 Boc M SBV 1 13 -0.7200 0.4100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00076905 > F > 15043 > - > - > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -0.1089 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8191 -0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8191 -2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7392 0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7876 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 3.6343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7392 -3.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6593 -0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7876 -2.9648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6593 1.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6593 -2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 9 13 2 0 0 0 0 10 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00063092 > A > 294357 > - > - > - > - $$$$ 20 20 0 0 1 0 0 0 0 0 1 V2000 6.9951 -6.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7136 -7.0699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7173 -7.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4358 -8.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0083 -8.3045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4266 -6.6543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2748 -7.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5558 -6.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5558 -5.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8377 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1222 -5.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1293 -6.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -7.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3552 -6.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1634 -6.0367 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9629 -5.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3638 -6.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9716 -5.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1435 -7.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7409 -6.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 2 3 1 0 0 0 0 10 11 2 0 0 0 0 3 4 2 0 0 0 0 11 12 1 0 0 0 0 3 5 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 2 6 1 6 0 0 0 7 1 1 0 0 0 0 7 8 1 0 0 0 0 6 19 1 0 0 0 0 8 9 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 20 2 0 0 0 0 14 19 1 0 0 0 0 G 19 6 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 14 15 16 17 18 19 20 M SBL 1 1 13 M SMT 1 Boc M SBV 1 13 -0.7200 0.4100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00076904 > F > 15469 > - > - > - > - $$$$ 11 10 0 0 1 0 0 0 0 0 1 V2000 2.0989 -3.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8134 -3.0748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5279 -3.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2423 -3.0748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -2.0614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5279 -4.3094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3845 -3.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -3.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0445 -3.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7589 -3.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0445 -2.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 3 6 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 2 5 1 1 0 0 0 9 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00063118 > F > 06654 > - > - > - > - $$$$ 9 8 0 0 1 0 0 0 0 0 1 V2000 5.1870 -5.3634 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -5.3583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -6.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -7.3792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -6.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5833 -7.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 -5.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 4 3 1 0 0 0 0 5 3 1 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 5 8 1 6 0 0 0 9 5 1 0 0 0 0 9 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00065494 > F > 53527 > S > H6503 > - > - $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 -5.3406 -0.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3406 1.1699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3406 1.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3406 0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7206 -0.2101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1220 0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 -0.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 0.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -0.2829 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 0.4027 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7878 -0.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0478 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0978 -0.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1220 -1.0199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0978 -1.7099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7206 0.3299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 3 4 2 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00069587 > F > 53550 > - > - > - > - $$$$ 16 15 0 0 1 0 0 0 0 0 1 V2000 9.1664 -6.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7377 -6.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8999 -6.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7377 -5.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4587 -6.2030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4481 -6.6242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0501 -6.6470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1664 -7.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -6.6242 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5967 -6.2260 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4587 -5.3836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4481 -7.4664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1558 -6.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7483 -6.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0178 -6.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -6.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 1 3 2 0 0 0 0 2 4 2 0 0 0 0 1 5 1 0 0 0 0 6 13 1 0 0 0 0 2 7 1 0 0 0 0 1 8 1 0 0 0 0 9 15 1 0 0 0 0 9 10 1 0 0 0 0 5 11 1 6 0 0 0 6 12 1 6 0 0 0 13 16 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 0 0 0 0 10 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00020391 > F > 53540 > S > H6010 > - > - $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 2 0 0 0 2 6 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00004898 > F > 53510 > S > H4628 > - > - $$$$ 11 10 0 0 1 0 0 0 0 0 1 V2000 6.3310 -6.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0455 -6.2021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7599 -6.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4744 -6.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0497 -5.3085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7599 -7.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6165 -6.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 -6.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9021 -6.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4756 -6.6131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 -5.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 3 6 2 0 0 0 0 2 5 1 6 0 0 0 1 7 1 0 0 0 0 8 9 1 0 0 0 0 9 7 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > MFCD00002636 > F > 06653 > - > - > - > - $$$$ 17 17 0 0 1 0 0 0 0 0 1 V2000 4.7663 -2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5849 -3.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0728 -3.4025 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5557 -3.0464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3663 -2.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0175 -3.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1278 -3.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6470 -2.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1634 -3.2248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6517 -2.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5891 -4.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1069 -3.9947 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4058 -4.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8079 -3.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6247 -3.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0712 -3.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5534 -4.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 16 1 0 0 0 0 4 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 2 6 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 16 17 2 0 0 0 0 11 16 1 0 0 0 0 G 16 3 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 11 12 13 14 15 16 17 M SBL 1 1 1 M SDI 1 4 4.8600 -3.7900 5.2700 -3.7900 M SMT 1 Boc M SBV 1 1 0.0000 0.5900 M END > (C) 2008 SIGMA-ALDRICH CO. > 16276091 > A_____670618 > A > 670618 > - > - > - > - $$$$