@MOLECULE 5-[2-(1-{1-[(2-hydroxy-2-methylpropyl)amino]-2-propanyl}-7a-methyloctahydro-4h-inden-4-ylidene)ethylidene]-4-methylene-1,3-cyclohexanediol 73 75 0 0 0 SMALL USER_CHARGES @ATOM 1 O -6.1263 -3.6266 1.1087 O.3 1 UNL1111111 -0.5885 2 O 5.1726 -2.9117 -2.0895 O.3 1 UNL1111111 -0.5704 3 O 5.5687 -1.5258 2.0073 O.3 1 UNL1111111 -0.5497 4 N -4.7640 -0.3673 0.0709 N.3 1 UNL1111111 -0.5373 5 C -1.4639 1.2592 0.1914 C.3 1 UNL1111111 0.0844 6 C -2.6553 1.5415 -0.7797 C.3 1 UNL1111111 -0.1350 7 C -0.2417 1.3653 -0.7750 C.3 1 UNL1111111 -0.1536 8 C -2.1152 2.6061 -1.7674 C.3 1 UNL1111111 -0.2843 9 C -0.5791 2.5232 -1.7355 C.3 1 UNL1111111 -0.2731 10 C -1.3870 2.3111 1.3105 C.3 1 UNL1111111 -0.2927 11 C -3.9785 1.9981 -0.1408 C.3 1 UNL1111111 -0.1049 12 C 1.0717 1.5627 -0.0784 C.2 1 UNL1111111 0.0620 13 C -1.5127 -0.1538 0.7774 C.3 1 UNL1111111 -0.4637 14 C -0.0291 2.2941 2.0175 C.3 1 UNL1111111 -0.2511 15 C 1.0925 2.5855 1.0111 C.3 1 UNL1111111 -0.2919 16 C -4.5901 0.9196 0.7843 C.3 1 UNL1111111 -0.1262 17 C -4.9972 2.3797 -1.2269 C.3 1 UNL1111111 -0.4558 18 C 2.1374 0.8302 -0.4542 C.2 1 UNL1111111 -0.2557 19 C 3.4534 0.9083 0.1446 C.2 1 UNL1111111 -0.1483 20 C -5.4405 -1.3607 0.9309 C.3 1 UNL1111111 -0.1823 21 C 4.5182 0.1859 -0.2461 C.2 1 UNL1111111 -0.0400 22 C -5.4452 -2.7463 0.2246 C.3 1 UNL1111111 0.3498 23 C 4.5417 -0.7830 -1.3824 C.3 1 UNL1111111 -0.3091 24 C 5.8012 0.2934 0.4620 C.2 1 UNL1111111 -0.0504 25 C 5.0414 -2.1538 -0.8972 C.3 1 UNL1111111 0.1783 26 C 6.3552 -1.0259 0.9468 C.3 1 UNL1111111 0.1595 27 C 6.4020 -2.0519 -0.1955 C.3 1 UNL1111111 -0.3988 28 C -6.3074 -2.7560 -1.0376 C.3 1 UNL1111111 -0.4785 29 C -4.0291 -3.2539 -0.0360 C.3 1 UNL1111111 -0.5023 30 C 6.4373 1.4484 0.6612 C.2 1 UNL1111111 -0.3105 31 H -2.8558 0.5963 -1.3408 H 1 UNL1111111 0.1553 32 H -0.2108 0.4190 -1.3727 H 1 UNL1111111 0.1474 33 H -2.4479 3.6167 -1.4803 H 1 UNL1111111 0.1340 34 H -2.5056 2.4268 -2.7808 H 1 UNL1111111 0.1348 35 H -0.1424 3.4726 -1.3848 H 1 UNL1111111 0.1369 36 H -0.1568 2.3437 -2.7361 H 1 UNL1111111 0.1361 37 H -1.5651 3.3172 0.8835 H 1 UNL1111111 0.1416 38 H -2.1939 2.1400 2.0457 H 1 UNL1111111 0.1335 39 H -3.7870 2.9023 0.4879 H 1 UNL1111111 0.1341 40 H -2.2484 -0.2382 1.5840 H 1 UNL1111111 0.1482 41 H -0.5384 -0.4492 1.1819 H 1 UNL1111111 0.1467 42 H -1.8038 -0.8934 0.0210 H 1 UNL1111111 0.1546 43 H 0.1410 1.3119 2.4988 H 1 UNL1111111 0.1436 44 H -0.0135 3.0415 2.8312 H 1 UNL1111111 0.1301 45 H 0.9601 3.5979 0.5750 H 1 UNL1111111 0.1512 46 H 2.0671 2.6193 1.5364 H 1 UNL1111111 0.1444 47 H -5.5428 1.3016 1.2113 H 1 UNL1111111 0.1109 48 H -3.9056 0.7399 1.6440 H 1 UNL1111111 0.1427 49 H -4.7145 3.3110 -1.7302 H 1 UNL1111111 0.1462 50 H -5.9951 2.5334 -0.8031 H 1 UNL1111111 0.1421 51 H -5.0743 1.6075 -1.9995 H 1 UNL1111111 0.1450 52 H 2.0316 0.1059 -1.2670 H 1 UNL1111111 0.1567 53 H -5.2810 -0.2302 -0.7966 H 1 UNL1111111 0.2542 54 H 3.5604 1.6023 0.9859 H 1 UNL1111111 0.1531 55 H -6.4831 -1.0838 1.1932 H 1 UNL1111111 0.1270 56 H -4.8837 -1.4441 1.8882 H 1 UNL1111111 0.1419 57 H 5.2114 -0.4101 -2.1895 H 1 UNL1111111 0.1730 58 H 3.5542 -0.9010 -1.8715 H 1 UNL1111111 0.1649 59 H 4.2867 -2.6569 -0.2538 H 1 UNL1111111 0.1162 60 H 7.3540 -0.9208 1.4325 H 1 UNL1111111 0.1459 61 H 6.7033 -3.0361 0.2083 H 1 UNL1111111 0.1575 62 H 7.1790 -1.7639 -0.9295 H 1 UNL1111111 0.1666 63 H -6.4655 -3.7867 -1.3839 H 1 UNL1111111 0.1651 64 H -5.8383 -2.1939 -1.8498 H 1 UNL1111111 0.1508 65 H -7.3013 -2.3366 -0.8434 H 1 UNL1111111 0.1555 66 H -4.0395 -4.2310 -0.5293 H 1 UNL1111111 0.1534 67 H -3.4826 -2.5488 -0.6804 H 1 UNL1111111 0.1771 68 H -3.4508 -3.3454 0.8887 H 1 UNL1111111 0.1476 69 H -5.5515 -3.9308 1.8304 H 1 UNL1111111 0.3167 70 H 7.3811 1.5343 1.1768 H 1 UNL1111111 0.1485 71 H 6.0588 2.3997 0.3179 H 1 UNL1111111 0.1533 72 H 5.5368 -3.7959 -1.9039 H 1 UNL1111111 0.3157 73 H 4.6133 -1.4614 1.8012 H 1 UNL1111111 0.3201 @BOND 1 34 8 1 2 36 9 1 3 57 23 1 4 2 72 1 5 2 25 1 6 51 17 1 7 58 23 1 8 64 28 1 9 8 9 1 10 8 33 1 11 8 6 1 12 9 35 1 13 9 7 1 14 49 17 1 15 63 28 1 16 23 25 1 17 23 21 1 18 32 7 1 19 31 6 1 20 52 18 1 21 17 50 1 22 17 11 1 23 28 65 1 24 28 22 1 25 62 27 1 26 25 59 1 27 25 27 1 28 53 4 1 29 6 11 1 30 6 5 1 31 7 12 1 32 7 5 1 33 67 29 1 34 66 29 1 35 18 12 2 36 18 19 1 37 21 19 2 38 21 24 1 39 27 61 1 40 27 26 1 41 11 39 1 42 11 16 1 43 12 15 1 44 29 22 1 45 29 68 1 46 42 13 1 47 4 16 1 48 4 20 1 49 19 54 1 50 5 13 1 51 5 10 1 52 22 20 1 53 22 1 1 54 71 30 1 55 24 30 2 56 24 26 1 57 45 15 1 58 30 70 1 59 13 41 1 60 13 40 1 61 16 47 1 62 16 48 1 63 37 10 1 64 20 55 1 65 20 56 1 66 26 60 1 67 26 3 1 68 15 46 1 69 15 14 1 70 1 69 1 71 10 14 1 72 10 38 1 73 73 3 1 74 14 43 1 75 14 44 1