HT2LIG001205 3D Structure written by MMmdl. 58 61 0 0 1 0 999 V2000 5.1974 1.1465 0.3952 C 0 0 0 0 0 0 4.2406 1.3790 -0.6329 O 0 0 0 0 0 0 2.9812 0.8843 -0.3794 C 0 0 0 0 0 0 2.7669 -0.5125 -0.3341 C 0 0 0 0 0 0 3.8311 -1.3287 -0.5956 O 0 0 0 0 0 0 1.4797 -1.0524 -0.0817 C 0 0 0 0 0 0 0.3904 -0.1580 0.0679 C 0 0 0 0 0 0 -0.8661 -0.6815 0.2933 O 0 0 0 0 0 0 -1.9514 -0.0772 -0.3490 C 0 0 2 0 0 0 -2.7738 -1.0416 -0.9316 O 0 0 0 0 0 0 -3.4553 -1.8921 -0.0146 C 0 0 1 0 0 0 -4.4991 -1.0612 0.7902 C 0 0 1 0 0 0 -4.4624 -1.4279 2.1598 O 0 0 0 0 0 0 -4.2423 0.4590 0.6853 C 0 0 2 0 0 0 -4.8630 1.0390 -0.4618 O 0 0 0 0 0 0 -2.7375 0.8012 0.6722 C 0 0 1 0 0 0 -2.7035 2.1694 0.3256 O 0 0 0 0 0 0 -4.0674 -3.0459 -0.8256 C 0 0 0 0 0 0 -5.2672 -3.3053 -0.8781 O 0 0 0 0 0 0 -3.1205 -3.7473 -1.5036 O 0 0 0 0 0 0 0.6138 1.2368 0.0113 C 0 0 0 0 0 0 1.8960 1.7757 -0.2127 C 0 0 0 0 0 0 2.0557 3.2426 -0.2649 C 0 0 0 0 0 0 3.0183 3.9077 0.5277 C 0 0 0 0 0 0 3.1522 5.3090 0.4826 C 0 0 0 0 0 0 2.3164 6.0690 -0.3560 C 0 0 0 0 0 0 1.3472 5.4230 -1.1452 C 0 0 0 0 0 0 1.2203 4.0211 -1.0977 C 0 0 0 0 0 0 1.2688 -2.5168 -0.0011 C 0 0 0 0 0 0 0.3030 -3.1626 -0.8072 C 0 0 0 0 0 0 0.1043 -4.5545 -0.7267 C 0 0 0 0 0 0 0.8713 -5.3260 0.1655 C 0 0 0 0 0 0 1.8362 -4.6998 0.9754 C 0 0 0 0 0 0 2.0284 -3.3071 0.8916 C 0 0 0 0 0 0 -1.6141 0.5178 -1.1998 H 0 0 0 0 0 0 -2.7231 -2.3366 0.6626 H 0 0 0 0 0 0 -5.5153 -1.2570 0.4463 H 0 0 0 0 0 0 -4.7030 0.9567 1.5401 H 0 0 0 0 0 0 -2.3078 0.6507 1.6637 H 0 0 0 0 0 0 4.7399 1.0727 1.3834 H 0 0 0 0 0 0 5.9041 1.9754 0.4204 H 0 0 0 0 0 0 5.7692 0.2377 0.2098 H 0 0 0 0 0 0 4.5279 -0.8173 -0.9796 H 0 0 0 0 0 0 -5.2406 -1.1044 2.5888 H 0 0 0 0 0 0 -5.7652 0.7557 -0.5000 H 0 0 0 0 0 0 -3.4484 2.2480 -0.2683 H 0 0 0 0 0 0 -3.5444 -4.4311 -1.9934 H 0 0 0 0 0 0 -0.2030 1.9242 0.1641 H 0 0 0 0 0 0 3.6589 3.3386 1.1834 H 0 0 0 0 0 0 3.8957 5.7998 1.0933 H 0 0 0 0 0 0 2.4174 7.1441 -0.3927 H 0 0 0 0 0 0 0.7004 6.0016 -1.7886 H 0 0 0 0 0 0 0.4728 3.5385 -1.7106 H 0 0 0 0 0 0 -0.2980 -2.5825 -1.4930 H 0 0 0 0 0 0 -0.6401 -5.0265 -1.3504 H 0 0 0 0 0 0 0.7218 -6.3938 0.2273 H 0 0 0 0 0 0 2.4317 -5.2855 1.6602 H 0 0 0 0 0 0 2.7764 -2.8360 1.5124 H 0 0 0 0 0 0 1 2 1 0 0 0 1 40 1 0 0 0 1 41 1 0 0 0 1 42 1 0 0 0 2 3 1 0 0 0 3 22 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 5 43 1 0 0 0 6 7 2 0 0 0 6 29 1 0 0 0 7 8 1 0 0 0 7 21 1 0 0 0 8 9 1 0 0 0 9 35 1 0 0 0 9 16 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 36 1 0 0 0 11 12 1 0 0 0 11 18 1 0 0 0 12 37 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 13 44 1 0 0 0 14 38 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 15 45 1 0 0 0 16 39 1 0 0 0 16 17 1 0 0 0 17 46 1 0 0 0 18 19 2 0 0 0 18 20 1 0 0 0 20 47 1 0 0 0 21 22 2 0 0 0 21 48 1 0 0 0 22 23 1 0 0 0 23 28 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 24 49 1 0 0 0 25 26 2 0 0 0 25 50 1 0 0 0 26 27 1 0 0 0 26 51 1 0 0 0 27 28 2 0 0 0 27 52 1 0 0 0 28 53 1 0 0 0 29 34 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 30 54 1 0 0 0 31 32 2 0 0 0 31 55 1 0 0 0 32 33 1 0 0 0 32 56 1 0 0 0 33 34 2 0 0 0 33 57 1 0 0 0 34 58 1 0 0 0 M END > 364583 > 400Mols.39 $$$$