@MOLECULE amphidinolide b 90 91 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.2399 -0.6728 -0.1489 O.3 1 UNL11 -0.3685 2 O -0.3495 4.5089 0.8894 O.3 1 UNL11 -0.5881 3 O 4.6016 0.6647 -2.3398 O.3 1 UNL11 -0.5559 4 O 2.7854 1.8310 2.4808 O.3 1 UNL11 -0.5808 5 O 3.9828 0.5044 0.4714 O.3 1 UNL11 -0.5382 6 O 1.6096 -3.1552 0.8263 O.3 1 UNL11 -0.4550 7 O 2.9023 2.6859 -1.7848 O.2 1 UNL11 -0.4873 8 O 0.6964 -1.1554 1.2909 O.2 1 UNL11 -0.5541 9 C -4.4325 0.0907 -1.0560 C.3 1 UNL11 0.0351 10 C -3.8262 -0.8951 -0.1135 C.3 1 UNL11 -0.0137 11 C -4.3253 1.5621 -0.7496 C.3 1 UNL11 -0.3189 12 C -3.6312 2.3647 -1.8654 C.3 1 UNL11 -0.0655 13 C -2.3799 1.6595 -2.4216 C.3 1 UNL11 -0.3095 14 C -3.3044 -2.1969 -0.5606 C.2 1 UNL11 -0.2074 15 C -4.6090 2.6425 -3.0135 C.3 1 UNL11 -0.4581 16 C -1.3591 1.3106 -1.3773 C.2 1 UNL11 0.0756 17 C -0.5738 3.4233 1.7800 C.3 1 UNL11 0.3279 18 C 3.9886 -1.4489 -1.5293 C.3 1 UNL11 -0.0960 19 C -3.7654 -3.3529 -0.0775 C.2 1 UNL11 -0.1158 20 C 0.7608 3.1229 2.5015 C.3 1 UNL11 -0.3987 21 C 3.4897 -0.0121 -1.7979 C.3 1 UNL11 0.1438 22 C 1.7149 2.2680 1.6554 C.3 1 UNL11 0.1824 23 C -1.0238 2.2642 0.9126 C.2 1 UNL11 -0.0109 24 C 2.8389 -2.3503 -1.0471 C.3 1 UNL11 -0.3402 25 C -1.0266 2.3687 -0.4225 C.2 1 UNL11 -0.1961 26 C 2.9854 0.6740 -0.5038 C.3 1 UNL11 -0.0267 27 C 2.2701 3.0185 0.4477 C.3 1 UNL11 -0.4639 28 C -3.1332 -4.6685 -0.4004 C.3 1 UNL11 -0.2700 29 C 2.7347 2.1686 -0.7043 C.2 1 UNL11 0.4642 30 C 2.8713 -2.5430 0.4735 C.3 1 UNL11 0.1652 31 C -1.6585 3.8387 2.7803 C.3 1 UNL11 -0.5080 32 C 4.5980 -2.0114 -2.8172 C.3 1 UNL11 -0.4476 33 C -0.7157 0.1385 -1.4045 C.2 1 UNL11 -0.3867 34 C -1.4290 1.0490 1.6716 C.3 1 UNL11 -0.4619 35 C -2.1316 -5.0446 0.7128 C.3 1 UNL11 -0.2752 36 C 3.8977 -3.5715 0.9303 C.3 1 UNL11 -0.4773 37 C -0.9079 -4.1956 0.6157 C.2 1 UNL11 -0.0853 38 C -0.6353 -3.1570 1.4176 C.2 1 UNL11 -0.1131 39 C 0.5886 -2.3559 1.1893 C.2 1 UNL11 0.6262 40 C -1.4781 -2.6819 2.5456 C.3 1 UNL11 -0.4340 41 H -4.5919 -0.1746 -2.1042 H 1 UNL11 0.1527 42 H -3.3578 -0.5351 0.8155 H 1 UNL11 0.1604 43 H -3.7718 1.7194 0.2000 H 1 UNL11 0.1554 44 H -5.3404 1.9712 -0.5652 H 1 UNL11 0.1590 45 H -3.3123 3.3443 -1.4255 H 1 UNL11 0.1405 46 H -1.8990 2.3195 -3.1772 H 1 UNL11 0.1558 47 H -2.6829 0.7541 -2.9850 H 1 UNL11 0.1493 48 H -2.4711 -2.1364 -1.2605 H 1 UNL11 0.1610 49 H -4.9926 1.7153 -3.4525 H 1 UNL11 0.1458 50 H -5.4733 3.2207 -2.6682 H 1 UNL11 0.1457 51 H -4.1323 3.2164 -3.8156 H 1 UNL11 0.1448 52 H 4.7918 -1.3881 -0.7514 H 1 UNL11 0.1690 53 H 0.5616 2.5864 3.4516 H 1 UNL11 0.1684 54 H 1.2446 4.0720 2.7905 H 1 UNL11 0.1482 55 H -4.6121 -3.3928 0.6072 H 1 UNL11 0.1508 56 H 2.6763 0.0048 -2.5607 H 1 UNL11 0.1205 57 H 1.2376 1.2893 1.3812 H 1 UNL11 0.1812 58 H 1.8585 -1.9348 -1.3499 H 1 UNL11 0.1499 59 H 2.8884 -3.3380 -1.5442 H 1 UNL11 0.1521 60 H 2.0418 0.1759 -0.1586 H 1 UNL11 0.1612 61 H -0.7488 3.3134 -0.9105 H 1 UNL11 0.1789 62 H 3.1051 3.6861 0.7491 H 1 UNL11 0.1816 63 H 1.4928 3.7271 0.0548 H 1 UNL11 0.2217 64 H -3.9040 -5.4600 -0.4897 H 1 UNL11 0.1454 65 H -2.6199 -4.6465 -1.3821 H 1 UNL11 0.1498 66 H 2.9840 -1.5776 1.0200 H 1 UNL11 0.1635 67 H -1.3437 4.6865 3.3957 H 1 UNL11 0.1458 68 H -2.5736 4.1349 2.2494 H 1 UNL11 0.1680 69 H -1.9238 3.0199 3.4579 H 1 UNL11 0.1630 70 H 3.8592 -2.0860 -3.6204 H 1 UNL11 0.1388 71 H 5.4033 -1.3538 -3.1801 H 1 UNL11 0.1700 72 H 5.0329 -3.0018 -2.6571 H 1 UNL11 0.1340 73 H -0.9027 -0.6307 -2.1328 H 1 UNL11 0.1426 74 H 0.0468 -0.1355 -0.6915 H 1 UNL11 0.1622 75 H -0.7849 0.8579 2.5425 H 1 UNL11 0.1639 76 H -1.3591 0.1357 1.0541 H 1 UNL11 0.1854 77 H -2.4625 1.1311 2.0334 H 1 UNL11 0.1492 78 H -1.8563 -6.1157 0.6182 H 1 UNL11 0.1491 79 H -2.6200 -4.9558 1.7041 H 1 UNL11 0.1545 80 H -0.2552 5.3518 1.3662 H 1 UNL11 0.3224 81 H 3.6982 -4.5603 0.4997 H 1 UNL11 0.1558 82 H 4.9101 -3.2705 0.6327 H 1 UNL11 0.1638 83 H 3.8866 -3.6855 2.0211 H 1 UNL11 0.1553 84 H 4.3695 1.6094 -2.4818 H 1 UNL11 0.3367 85 H 3.3213 2.5751 2.8142 H 1 UNL11 0.3221 86 H 3.6734 0.8816 1.3343 H 1 UNL11 0.3428 87 H -0.2247 -4.4754 -0.1919 H 1 UNL11 0.1574 88 H -1.3770 -3.3360 3.4242 H 1 UNL11 0.1577 89 H -2.5453 -2.6592 2.2728 H 1 UNL11 0.1648 90 H -1.2112 -1.6624 2.8685 H 1 UNL11 0.1698 @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