@MOLECULE (1s,4r,4as,5r,7r,7as)-9-[(2s)-1-hydroxy-2-propanyl]-8-(1h-indol-3-yl)-4,4a,7-trimethyl-2,3,4,4a,5,6,7,7a,10,11-decahydro-1h-benzo[d]naphthalene-1,5-diol 70 74 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.0101 -0.0244 2.8417 O.3 1 UNL111111 -0.5650 2 O 4.5475 -0.1687 -1.8264 O.3 1 UNL111111 -0.5672 3 O -2.3989 -3.7990 -0.6993 O.3 1 UNL111111 -0.5498 4 N -3.6085 0.7072 -2.1532 N.ar 1 UNL111111 -0.3764 5 C 1.6178 -0.2892 0.5073 C.3 1 UNL111111 0.0215 6 C 3.0264 0.1675 -0.0131 C.3 1 UNL111111 0.0394 7 C 0.5146 -0.0089 -0.5569 C.3 1 UNL111111 -0.1377 8 C 3.0718 1.7175 -0.1228 C.3 1 UNL111111 -0.0853 9 C 1.1982 0.4852 1.7917 C.3 1 UNL111111 0.1410 10 C 3.2368 -0.5065 -1.3978 C.3 1 UNL111111 0.1383 11 C 0.8037 -0.4805 -2.0082 C.3 1 UNL111111 -0.0634 12 C 1.6168 -1.7885 0.8597 C.3 1 UNL111111 -0.2789 13 C 2.2136 -0.0563 -2.4395 C.3 1 UNL111111 -0.3572 14 C 2.7616 2.3738 1.2349 C.3 1 UNL111111 -0.2712 15 C 1.3557 2.0056 1.6963 C.3 1 UNL111111 -0.3367 16 C -0.8137 -0.5795 -0.1240 C.2 1 UNL111111 -0.0752 17 C 4.1543 -0.3389 0.8961 C.3 1 UNL111111 -0.4551 18 C 0.2462 -2.3053 1.3290 C.3 1 UNL111111 -0.2746 19 C -0.9354 -1.6277 0.7066 C.2 1 UNL111111 0.0226 20 C 4.4121 2.2715 -0.6214 C.3 1 UNL111111 -0.4516 21 C 0.6011 -1.9774 -2.2458 C.3 1 UNL111111 -0.4574 22 C -1.9501 0.1134 -0.7086 C.ar 1 UNL111111 -0.0772 23 C -2.2838 -2.1565 1.1143 C.3 1 UNL111111 -0.1624 24 C -2.6132 1.2749 -0.1695 C.ar 1 UNL111111 -0.1194 25 C -2.5693 -0.2017 -1.9058 C.ar 1 UNL111111 -0.0678 26 C -2.4707 -3.6268 0.7015 C.3 1 UNL111111 -0.0028 27 C -2.4852 -2.0343 2.6307 C.3 1 UNL111111 -0.4394 28 C -3.6481 1.6217 -1.1108 C.ar 1 UNL111111 0.1389 29 C -2.4299 2.0303 0.9966 C.ar 1 UNL111111 -0.0625 30 C -4.5067 2.7225 -0.8913 C.ar 1 UNL111111 -0.2841 31 C -3.2631 3.1195 1.2341 C.ar 1 UNL111111 -0.2468 32 C -4.2126 3.3502 0.2696 C.ar 1 UNL111111 0.0548 33 H 0.4086 1.1101 -0.6195 H 1 UNL111111 0.1505 34 H 2.2862 2.0347 -0.8498 H 1 UNL111111 0.1308 35 H 0.1437 0.2308 2.0606 H 1 UNL111111 0.1165 36 H 3.2244 -1.6178 -1.2903 H 1 UNL111111 0.1151 37 H 0.0656 0.0588 -2.6609 H 1 UNL111111 0.1337 38 H 2.3514 -1.9798 1.6697 H 1 UNL111111 0.1606 39 H 1.9563 -2.3808 -0.0070 H 1 UNL111111 0.1382 40 H 2.4524 -0.4857 -3.4279 H 1 UNL111111 0.1393 41 H 2.2681 1.0368 -2.5763 H 1 UNL111111 0.1539 42 H 2.8596 3.4736 1.1535 H 1 UNL111111 0.1304 43 H 3.5052 2.0559 1.9874 H 1 UNL111111 0.1475 44 H 1.1455 2.4694 2.6777 H 1 UNL111111 0.1338 45 H 0.6020 2.4243 1.0008 H 1 UNL111111 0.1491 46 H 5.1337 -0.0207 0.5148 H 1 UNL111111 0.1577 47 H 4.0462 0.0374 1.9189 H 1 UNL111111 0.1638 48 H 4.1883 -1.4313 0.9545 H 1 UNL111111 0.1387 49 H 0.1823 -2.1893 2.4335 H 1 UNL111111 0.1525 50 H 0.1953 -3.3994 1.1371 H 1 UNL111111 0.1484 51 H 4.6320 1.9394 -1.6433 H 1 UNL111111 0.1639 52 H 4.4186 3.3634 -0.6302 H 1 UNL111111 0.1291 53 H 5.2522 1.9378 0.0047 H 1 UNL111111 0.1482 54 H 1.3294 -2.5889 -1.7021 H 1 UNL111111 0.1483 55 H -0.3887 -2.3126 -1.9073 H 1 UNL111111 0.1606 56 H 0.6910 -2.2277 -3.3096 H 1 UNL111111 0.1358 57 H 1.7956 0.4205 3.6804 H 1 UNL111111 0.3039 58 H 4.7283 -0.5505 -2.7032 H 1 UNL111111 0.3047 59 H -3.0881 -1.5512 0.6168 H 1 UNL111111 0.1540 60 H -2.3505 -0.9948 -2.5982 H 1 UNL111111 0.1714 61 H -1.6615 -4.2837 1.0698 H 1 UNL111111 0.1403 62 H -3.4459 -4.0191 1.0459 H 1 UNL111111 0.1143 63 H -2.2366 -1.0248 2.9775 H 1 UNL111111 0.1525 64 H -3.5263 -2.2288 2.9097 H 1 UNL111111 0.1439 65 H -1.8535 -2.7373 3.1870 H 1 UNL111111 0.1460 66 H -4.1945 0.7118 -2.9548 H 1 UNL111111 0.3154 67 H -1.6470 1.7603 1.7021 H 1 UNL111111 0.1582 68 H -2.9323 -3.1242 -1.1590 H 1 UNL111111 0.3100 69 H -5.2946 3.0130 -1.5685 H 1 UNL111111 0.1757 70 H -3.1739 3.7426 2.1142 H 1 UNL111111 0.1721 @BOND 1 62 26 1 2 68 3 1 3 3 26 1 4 66 4 1 5 26 61 1 6 26 23 1 7 60 25 1 8 59 23 1 9 4 25 ar 10 4 28 ar 11 69 30 1 12 64 27 1 13 25 22 ar 14 23 27 1 15 23 19 1 16 55 21 1 17 28 30 ar 18 28 24 ar 19 30 32 ar 20 27 65 1 21 27 63 1 22 56 21 1 23 22 24 ar 24 22 16 1 25 21 54 1 26 21 11 1 27 19 16 2 28 19 18 1 29 50 18 1 30 24 29 ar 31 32 31 ar 32 16 7 1 33 37 11 1 34 18 49 1 35 18 12 1 36 11 7 1 37 11 13 1 38 29 31 ar 39 29 67 1 40 31 70 1 41 39 12 1 42 7 33 1 43 7 5 1 44 40 13 1 45 12 38 1 46 12 5 1 47 13 41 1 48 13 10 1 49 35 9 1 50 36 10 1 51 5 9 1 52 5 6 1 53 10 6 1 54 10 2 1 55 9 1 1 56 9 15 1 57 58 2 1 58 45 15 1 59 6 17 1 60 6 8 1 61 1 57 1 62 34 8 1 63 48 17 1 64 15 44 1 65 15 14 1 66 17 47 1 67 17 46 1 68 8 14 1 69 8 20 1 70 14 42 1 71 14 43 1 72 51 20 1 73 20 52 1 74 20 53 1