@MOLECULE amphidinolide b 90 91 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6652 2.4232 -2.0303 O.3 1 UNL11 -0.3739 2 O 6.3442 -0.5902 -1.2957 O.3 1 UNL11 -0.5879 3 O -0.0844 -2.3622 -1.9823 O.3 1 UNL11 -0.5780 4 O 3.7397 -2.2386 1.7135 O.3 1 UNL11 -0.5852 5 O -1.3980 -2.9445 1.2919 O.3 1 UNL11 -0.5362 6 O -4.3189 0.0746 -0.7457 O.3 1 UNL11 -0.4602 7 O 1.0473 -2.3235 2.0202 O.2 1 UNL11 -0.4974 8 O -5.8123 -1.4838 -0.0916 O.2 1 UNL11 -0.5041 9 C -0.3882 2.7487 -1.4754 C.3 1 UNL11 0.0328 10 C -1.6617 3.1544 -0.7941 C.3 1 UNL11 -0.0062 11 C 0.4253 1.5730 -1.0025 C.3 1 UNL11 -0.3155 12 C 1.6960 1.9977 -0.2455 C.3 1 UNL11 -0.0539 13 C 2.6453 2.8027 -1.1576 C.3 1 UNL11 -0.3089 14 C -2.1608 2.4197 0.3794 C.2 1 UNL11 -0.1883 15 C 1.3415 2.7968 1.0107 C.3 1 UNL11 -0.4558 16 C 4.0608 2.7092 -0.6615 C.2 1 UNL11 0.0587 17 C 5.5794 -0.7962 -0.1072 C.3 1 UNL11 0.3340 18 C -2.3317 -1.9908 -1.0717 C.3 1 UNL11 -0.1230 19 C -2.2495 2.9719 1.5932 C.2 1 UNL11 -0.1486 20 C 4.4761 -1.8166 -0.4846 C.3 1 UNL11 -0.3706 21 C -0.8141 -2.0070 -0.8312 C.3 1 UNL11 0.1258 22 C 3.2733 -1.7864 0.4585 C.3 1 UNL11 0.2023 23 C 4.9959 0.5707 0.1921 C.2 1 UNL11 -0.0024 24 C -2.6641 -0.9029 -2.1035 C.3 1 UNL11 -0.3397 25 C 4.6732 1.3872 -0.8197 C.2 1 UNL11 -0.2084 26 C -0.4087 -3.0008 0.2922 C.3 1 UNL11 -0.0116 27 C 2.1554 -2.7288 -0.0393 C.3 1 UNL11 -0.4637 28 C -2.7563 2.2168 2.7823 C.3 1 UNL11 -0.2628 29 C 0.9630 -2.6495 0.8548 C.2 1 UNL11 0.4534 30 C -4.1455 -0.5033 -2.0480 C.3 1 UNL11 0.1657 31 C 6.5033 -1.3319 0.9838 C.3 1 UNL11 -0.5028 32 C -2.8615 -3.3550 -1.5142 C.3 1 UNL11 -0.4523 33 C 4.7180 3.7516 -0.1476 C.2 1 UNL11 -0.3754 34 C 4.8033 0.9215 1.6262 C.3 1 UNL11 -0.4610 35 C -4.2998 2.1520 2.7865 C.3 1 UNL11 -0.2687 36 C -4.4670 0.6194 -3.0263 C.3 1 UNL11 -0.4851 37 C -4.7554 1.3984 1.5820 C.2 1 UNL11 -0.0891 38 C -4.8064 0.0641 1.4883 C.2 1 UNL11 -0.1106 39 C -5.0867 -0.5612 0.1729 C.2 1 UNL11 0.6052 40 C -4.5235 -0.9284 2.5546 C.3 1 UNL11 -0.4307 41 H 0.1643 3.4967 -2.0538 H 1 UNL11 0.1471 42 H -2.0210 4.1847 -0.9000 H 1 UNL11 0.1518 43 H 0.6960 0.9430 -1.8769 H 1 UNL11 0.1608 44 H -0.1861 0.9201 -0.3449 H 1 UNL11 0.1532 45 H 2.2269 1.0616 0.0707 H 1 UNL11 0.1414 46 H 2.5934 2.4172 -2.1967 H 1 UNL11 0.1532 47 H 2.3155 3.8574 -1.2156 H 1 UNL11 0.1459 48 H -2.4732 1.3886 0.1781 H 1 UNL11 0.1841 49 H 0.7549 3.6902 0.7725 H 1 UNL11 0.1437 50 H 2.2449 3.1300 1.5349 H 1 UNL11 0.1473 51 H 0.7495 2.1977 1.7116 H 1 UNL11 0.1471 52 H -2.8172 -1.7268 -0.0925 H 1 UNL11 0.1727 53 H 4.9106 -2.8331 -0.5038 H 1 UNL11 0.1574 54 H 4.1445 -1.5963 -1.5202 H 1 UNL11 0.1674 55 H -1.9616 4.0028 1.7840 H 1 UNL11 0.1401 56 H -0.4365 -0.9809 -0.6055 H 1 UNL11 0.1456 57 H 2.8765 -0.7515 0.5903 H 1 UNL11 0.1293 58 H -2.0466 0.0052 -1.9200 H 1 UNL11 0.1737 59 H -2.3996 -1.2322 -3.1234 H 1 UNL11 0.1519 60 H -0.4258 -4.0507 -0.0804 H 1 UNL11 0.1599 61 H 4.8515 1.0962 -1.8603 H 1 UNL11 0.1762 62 H 1.8967 -2.4941 -1.0967 H 1 UNL11 0.2094 63 H 2.5357 -3.7732 -0.0576 H 1 UNL11 0.1897 64 H -2.3452 1.1849 2.7934 H 1 UNL11 0.1558 65 H -2.4055 2.6862 3.7219 H 1 UNL11 0.1389 66 H -4.8252 -1.3739 -2.1751 H 1 UNL11 0.1449 67 H 7.0057 -2.2540 0.6753 H 1 UNL11 0.1451 68 H 5.9373 -1.5749 1.8965 H 1 UNL11 0.1854 69 H 7.2738 -0.5983 1.2460 H 1 UNL11 0.1575 70 H -2.6622 -4.1241 -0.7564 H 1 UNL11 0.1566 71 H -3.9550 -3.3248 -1.6337 H 1 UNL11 0.1635 72 H -2.4428 -3.6865 -2.4676 H 1 UNL11 0.1291 73 H 5.7367 3.6902 0.2008 H 1 UNL11 0.1518 74 H 4.2973 4.7362 -0.0427 H 1 UNL11 0.1440 75 H 5.7574 1.2176 2.0871 H 1 UNL11 0.1612 76 H 4.1109 1.7655 1.7607 H 1 UNL11 0.1597 77 H 4.4085 0.0760 2.2118 H 1 UNL11 0.1700 78 H -4.7207 3.1770 2.7953 H 1 UNL11 0.1469 79 H -4.6518 1.6790 3.7245 H 1 UNL11 0.1478 80 H 6.9797 -1.3114 -1.4400 H 1 UNL11 0.3170 81 H -5.5063 0.9522 -2.9197 H 1 UNL11 0.1591 82 H -3.8285 1.4980 -2.8446 H 1 UNL11 0.1743 83 H -4.3124 0.3052 -4.0628 H 1 UNL11 0.1527 84 H -0.5679 -3.0131 -2.5308 H 1 UNL11 0.3308 85 H 2.9826 -2.3006 2.3396 H 1 UNL11 0.3437 86 H -1.0196 -2.5943 2.1364 H 1 UNL11 0.3402 87 H -4.9957 2.0276 0.7186 H 1 UNL11 0.1620 88 H -5.3126 -1.6996 2.5990 H 1 UNL11 0.1728 89 H -4.4553 -0.4757 3.5520 H 1 UNL11 0.1547 90 H -3.5751 -1.4599 2.3677 H 1 UNL11 0.1654 @BOND 1 1 9 1 2 1 10 1 3 2 80 1 4 3 21 1 5 3 84 1 6 4 22 1 7 4 85 1 8 5 26 1 9 5 86 1 10 6 30 1 11 6 39 1 12 7 29 2 13 8 39 2 14 9 10 1 15 9 11 1 16 9 41 1 17 10 14 1 18 10 42 1 19 11 12 1 20 11 43 1 21 11 44 1 22 12 13 1 23 12 15 1 24 12 45 1 25 13 16 1 26 13 46 1 27 13 47 1 28 14 19 2 29 14 48 1 30 15 49 1 31 15 50 1 32 15 51 1 33 16 25 1 34 16 33 2 35 17 2 1 36 17 20 1 37 17 23 1 38 17 31 1 39 18 21 1 40 18 24 1 41 18 32 1 42 18 52 1 43 19 28 1 44 19 55 1 45 20 22 1 46 20 53 1 47 20 54 1 48 21 26 1 49 21 56 1 50 22 27 1 51 22 57 1 52 23 25 2 53 23 34 1 54 24 30 1 55 24 58 1 56 24 59 1 57 25 61 1 58 26 29 1 59 26 60 1 60 27 29 1 61 27 62 1 62 27 63 1 63 28 35 1 64 28 64 1 65 28 65 1 66 30 36 1 67 30 66 1 68 31 67 1 69 31 68 1 70 31 69 1 71 32 70 1 72 32 71 1 73 32 72 1 74 33 73 1 75 33 74 1 76 34 75 1 77 34 76 1 78 34 77 1 79 35 37 1 80 35 78 1 81 35 79 1 82 36 81 1 83 36 82 1 84 36 83 1 85 37 38 2 86 37 87 1 87 38 39 1 88 38 40 1 89 40 88 1 90 40 89 1 91 40 90 1