@MOLECULE 3-[(3r,4s,5r,8s,9r,10s,13r,14r,17r)-3-hydroxy-3-isopropenyl-17-isopropyl-5,8,9,13-tetramethylhexadecahydro-1h-cyclopenta[a]phenanthren-4-yl]propanoic acid 80 83 0 0 0 SMALL USER_CHARGES @ATOM 1 O 3.5667 1.8152 1.3746 O.3 1 UNL111111111 -0.5502 2 O 6.6712 -2.3025 -1.0252 O.co2 1 UNL111111111 -0.1489 3 O 5.4519 -3.1526 0.6556 O.co2 1 UNL111111111 -0.4505 4 C -1.4906 -0.7216 -0.0714 C.3 1 UNL111111111 0.0621 5 C -1.1344 0.7257 0.4332 C.3 1 UNL111111111 0.0683 6 C -2.9739 -0.9397 0.2631 C.3 1 UNL111111111 -0.1577 7 C -3.9706 0.0499 -0.4263 C.3 1 UNL111111111 0.0772 8 C 0.3548 0.9764 0.0688 C.3 1 UNL111111111 -0.1524 9 C 1.3578 -0.0401 0.7040 C.3 1 UNL111111111 0.0925 10 C -2.0678 1.7418 -0.2795 C.3 1 UNL111111111 -0.2890 11 C -0.6114 -1.7319 0.6974 C.3 1 UNL111111111 -0.2874 12 C -3.5686 1.4786 -0.0320 C.3 1 UNL111111111 -0.2955 13 C -5.3027 -0.4808 0.2075 C.3 1 UNL111111111 -0.1467 14 C 0.8850 -1.4955 0.4540 C.3 1 UNL111111111 -0.2909 15 C -3.6139 -2.3160 0.0263 C.3 1 UNL111111111 -0.2815 16 C 2.7098 0.1613 -0.0726 C.3 1 UNL111111111 -0.1662 17 C 0.8247 2.4115 0.3578 C.3 1 UNL111111111 -0.2748 18 C -5.1297 -2.0284 0.1385 C.3 1 UNL111111111 -0.2786 19 C -1.2169 -0.9247 -1.5725 C.3 1 UNL111111111 -0.4616 20 C -1.3592 0.9117 1.9448 C.3 1 UNL111111111 -0.4622 21 C 3.2150 1.6274 0.0202 C.3 1 UNL111111111 0.3665 22 C -4.0657 -0.0427 -1.9530 C.3 1 UNL111111111 -0.4592 23 C 2.1417 2.6678 -0.3753 C.3 1 UNL111111111 -0.3517 24 C 1.5824 0.1445 2.2090 C.3 1 UNL111111111 -0.4508 25 C -6.6285 -0.0363 -0.4338 C.3 1 UNL111111111 -0.0718 26 C 3.8106 -0.8095 0.3978 C.3 1 UNL111111111 -0.2616 27 C 4.4291 1.8405 -0.8675 C.2 1 UNL111111111 -0.5631 28 C -7.8091 -0.6847 0.3091 C.3 1 UNL111111111 -0.4551 29 C -6.7953 1.4879 -0.3854 C.3 1 UNL111111111 -0.4548 30 C 4.5687 -1.4084 -0.7924 C.3 1 UNL111111111 -0.3306 31 C 5.7097 2.1738 -0.1819 C.3 1 UNL111111111 -0.3605 32 C 4.3730 1.7303 -2.1741 C.2 1 UNL111111111 0.3350 33 C 5.6112 -2.4006 -0.2746 C.2 1 UNL111111111 0.4975 34 H -3.0641 -0.7565 1.3709 H 1 UNL111111111 0.1425 35 H 0.4205 0.8389 -1.0424 H 1 UNL111111111 0.1357 36 H -1.8644 1.7411 -1.3644 H 1 UNL111111111 0.1343 37 H -1.8342 2.7651 0.0702 H 1 UNL111111111 0.1340 38 H -0.8737 -2.7602 0.3835 H 1 UNL111111111 0.1358 39 H -0.8338 -1.6886 1.7787 H 1 UNL111111111 0.1389 40 H -3.8168 1.6649 1.0275 H 1 UNL111111111 0.1374 41 H -4.1584 2.2156 -0.6055 H 1 UNL111111111 0.1359 42 H -5.3219 -0.1662 1.2759 H 1 UNL111111111 0.1322 43 H 1.4601 -2.1842 1.1052 H 1 UNL111111111 0.1442 44 H 1.1376 -1.7958 -0.5804 H 1 UNL111111111 0.1320 45 H -3.2800 -3.0559 0.7656 H 1 UNL111111111 0.1322 46 H -3.3546 -2.7240 -0.9628 H 1 UNL111111111 0.1357 47 H 2.4887 -0.0304 -1.1511 H 1 UNL111111111 0.1348 48 H 0.9516 2.5731 1.4458 H 1 UNL111111111 0.1526 49 H 0.0685 3.1485 0.0317 H 1 UNL111111111 0.1391 50 H -5.6656 -2.4439 -0.7282 H 1 UNL111111111 0.1349 51 H -5.5578 -2.5033 1.0328 H 1 UNL111111111 0.1315 52 H -1.5025 -0.0517 -2.1672 H 1 UNL111111111 0.1452 53 H -0.1596 -1.1139 -1.7849 H 1 UNL111111111 0.1426 54 H -1.7776 -1.7851 -1.9536 H 1 UNL111111111 0.1455 55 H -2.4219 0.9595 2.2053 H 1 UNL111111111 0.1427 56 H -0.9275 0.0955 2.5325 H 1 UNL111111111 0.1519 57 H -0.9035 1.8443 2.2933 H 1 UNL111111111 0.1458 58 H -4.9414 0.4995 -2.3272 H 1 UNL111111111 0.1424 59 H -3.1970 0.4016 -2.4487 H 1 UNL111111111 0.1448 60 H -4.1506 -1.0803 -2.2898 H 1 UNL111111111 0.1468 61 H 1.9747 2.6442 -1.4686 H 1 UNL111111111 0.1457 62 H 2.5128 3.6855 -0.1551 H 1 UNL111111111 0.1436 63 H 0.8159 -0.3623 2.8041 H 1 UNL111111111 0.1428 64 H 2.5519 -0.2523 2.5276 H 1 UNL111111111 0.1535 65 H 1.5906 1.2018 2.5000 H 1 UNL111111111 0.1559 66 H -6.6561 -0.3702 -1.4983 H 1 UNL111111111 0.1321 67 H 4.5101 -0.2881 1.0838 H 1 UNL111111111 0.1707 68 H 3.3856 -1.6306 1.0131 H 1 UNL111111111 0.1701 69 H -7.8089 -0.4159 1.3704 H 1 UNL111111111 0.1439 70 H -8.7657 -0.3607 -0.1137 H 1 UNL111111111 0.1406 71 H -7.7772 -1.7766 0.2431 H 1 UNL111111111 0.1415 72 H -6.6554 1.8736 0.6297 H 1 UNL111111111 0.1441 73 H -7.7951 1.7870 -0.7174 H 1 UNL111111111 0.1411 74 H -6.0735 1.9920 -1.0367 H 1 UNL111111111 0.1433 75 H 3.7836 2.7498 1.5546 H 1 UNL111111111 0.3128 76 H 3.8819 -1.9627 -1.4665 H 1 UNL111111111 0.1745 77 H 5.0297 -0.6047 -1.4003 H 1 UNL111111111 0.1720 78 H 5.7014 3.2116 0.1856 H 1 UNL111111111 0.1438 79 H 5.8597 1.5154 0.6956 H 1 UNL111111111 0.1706 80 H 6.5908 2.0566 -0.8269 H 1 UNL111111111 0.1403 @BOND 1 80 31 1 2 32 27 2 3 78 31 1 4 31 27 1 5 31 79 1 6 62 23 1 7 27 21 1 8 61 23 1 9 23 21 1 10 23 17 1 11 77 30 1 12 21 1 1 13 21 16 1 14 75 1 1 15 49 17 1 16 2 33 ar 17 17 48 1 18 17 8 1 19 47 16 1 20 35 8 1 21 30 76 1 22 30 33 1 23 30 26 1 24 36 10 1 25 16 26 1 26 16 9 1 27 37 10 1 28 67 26 1 29 52 19 1 30 33 3 ar 31 8 9 1 32 8 5 1 33 26 68 1 34 59 22 1 35 10 5 1 36 10 12 1 37 53 19 1 38 41 12 1 39 9 24 1 40 9 14 1 41 19 54 1 42 19 4 1 43 58 22 1 44 65 24 1 45 5 4 1 46 5 20 1 47 22 60 1 48 22 7 1 49 74 29 1 50 44 14 1 51 12 40 1 52 12 7 1 53 57 20 1 54 24 64 1 55 24 63 1 56 14 43 1 57 14 11 1 58 4 11 1 59 4 6 1 60 20 55 1 61 20 56 1 62 7 6 1 63 7 13 1 64 73 29 1 65 29 72 1 66 29 25 1 67 11 38 1 68 11 39 1 69 66 25 1 70 6 34 1 71 6 15 1 72 25 13 1 73 25 28 1 74 46 15 1 75 13 42 1 76 13 18 1 77 15 18 1 78 15 45 1 79 50 18 1 80 18 51 1 81 70 28 1 82 28 69 1 83 28 71 1