@MOLECULE 2-[(2r,4bs,6as,12bs,12cr,14as)-4b-hydroxy-12b,12c-dimethyl-3-oxo-3,4b,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2h-chromeno[5',6':6,7]indeno[1,2-b]indol-2-yl]-2-propanyl acetate 61 66 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2145 1.6260 -1.8845 O.3 1 UNL111111 -0.5614 2 O 2.9854 -1.2189 -0.6935 O.3 1 UNL111111 -0.4224 3 O 4.5264 0.8762 1.6457 O.2 1 UNL111111 -0.4184 4 O 6.1877 -1.0036 0.9466 O.3 1 UNL111111 -0.4367 5 O 6.6490 0.5817 -0.6038 O.2 1 UNL111111 -0.5381 6 N -3.9875 -1.3587 -0.4263 N.ar 1 UNL111111 -0.4329 7 C -0.9176 0.1303 -0.4143 C.3 1 UNL111111 0.0497 8 C -2.3261 0.7348 -0.6179 C.3 1 UNL111111 0.0757 9 C -2.5128 1.9001 0.4424 C.3 1 UNL111111 -0.1121 10 C 0.1583 1.2664 -0.5095 C.3 1 UNL111111 0.2794 11 C -0.5870 -0.9043 -1.5093 C.3 1 UNL111111 -0.2790 12 C -1.5746 3.0478 0.1135 C.3 1 UNL111111 -0.2715 13 C -0.1391 2.5271 0.3230 C.3 1 UNL111111 -0.3268 14 C -3.4978 -0.0882 -0.2579 C.ar 1 UNL111111 -0.0890 15 C -4.0497 2.1370 0.5541 C.3 1 UNL111111 -0.2789 16 C 1.5240 0.6557 -0.2317 C.2 1 UNL111111 0.0067 17 C -0.8355 -0.5413 0.9664 C.3 1 UNL111111 -0.4658 18 C -2.5801 1.2164 -2.0591 C.3 1 UNL111111 -0.4508 19 C -4.5730 0.7720 0.3642 C.ar 1 UNL111111 -0.0088 20 C 0.7995 -1.5240 -1.3227 C.3 1 UNL111111 -0.2784 21 C 1.8896 -0.4469 -1.1868 C.3 1 UNL111111 0.1094 22 C -5.6797 -0.0469 0.5689 C.ar 1 UNL111111 -0.0773 23 C 2.3784 1.0681 0.7096 C.2 1 UNL111111 -0.3373 24 C -5.3209 -1.3843 0.0778 C.ar 1 UNL111111 0.2129 25 C 4.1145 -0.4738 -0.2911 C.3 1 UNL111111 -0.0038 26 C 3.7370 0.5175 0.8099 C.2 1 UNL111111 0.4287 27 C -6.9537 0.1421 1.1085 C.ar 1 UNL111111 -0.1324 28 C 5.1013 -1.5764 0.1664 C.3 1 UNL111111 -0.2676 29 C -6.1853 -2.4421 0.1367 C.ar 1 UNL111111 -0.2737 30 C -7.8361 -0.9486 1.1623 C.ar 1 UNL111111 -0.1802 31 C -7.4691 -2.2036 0.6931 C.ar 1 UNL111111 -0.1078 32 C 5.6309 -2.2744 -1.0029 C.3 1 UNL111111 0.2464 33 C 4.4356 -2.4917 1.0976 C.3 1 UNL111111 0.2771 34 C 6.8333 0.0962 0.4994 C.2 1 UNL111111 0.3452 35 C 7.7688 0.6208 1.4824 C.3 1 UNL111111 0.3241 36 H -2.2139 1.4968 1.4479 H 1 UNL111111 0.1476 37 H -0.6405 -0.4194 -2.5078 H 1 UNL111111 0.1679 38 H -1.3530 -1.6995 -1.5156 H 1 UNL111111 0.1351 39 H -1.7653 3.9202 0.7628 H 1 UNL111111 0.1389 40 H -1.7142 3.4050 -0.9238 H 1 UNL111111 0.1510 41 H 0.5879 3.3213 0.0692 H 1 UNL111111 0.1466 42 H 0.0154 2.3076 1.3982 H 1 UNL111111 0.1584 43 H -4.4175 2.8266 -0.2290 H 1 UNL111111 0.1641 44 H -4.3273 2.5892 1.5212 H 1 UNL111111 0.1560 45 H -1.5815 -1.3410 1.0529 H 1 UNL111111 0.1598 46 H 0.1481 -0.9865 1.1574 H 1 UNL111111 0.1592 47 H -1.0290 0.1617 1.7870 H 1 UNL111111 0.1506 48 H -1.7767 1.8585 -2.4367 H 1 UNL111111 0.1698 49 H -2.6745 0.3684 -2.7464 H 1 UNL111111 0.1462 50 H -3.5141 1.7855 -2.1243 H 1 UNL111111 0.1470 51 H 0.8216 -2.1846 -0.4316 H 1 UNL111111 0.1635 52 H 1.0429 -2.1832 -2.1785 H 1 UNL111111 0.1525 53 H 2.1744 -0.0215 -2.1796 H 1 UNL111111 0.1548 54 H -3.5163 -2.1321 -0.8250 H 1 UNL111111 0.3176 55 H 0.6840 2.4736 -2.0078 H 1 UNL111111 0.3186 56 H 2.1498 1.8429 1.4414 H 1 UNL111111 0.1908 57 H 4.5302 0.0950 -1.1634 H 1 UNL111111 0.1865 58 H -7.2551 1.1158 1.4800 H 1 UNL111111 0.1530 59 H -5.9268 -3.4299 -0.2203 H 1 UNL111111 0.1620 60 H -8.8299 -0.8010 1.5821 H 1 UNL111111 0.1507 61 H -8.1706 -3.0336 0.7496 H 1 UNL111111 0.1476 @BOND 1 59 29 1 2 61 31 1 3 29 31 ar 4 29 24 ar 5 31 30 ar 6 54 6 1 7 60 30 1 8 24 6 ar 9 24 22 ar 10 30 27 ar 11 6 14 ar 12 38 11 1 13 49 18 1 14 52 20 1 15 37 11 1 16 27 22 ar 17 27 58 1 18 22 19 ar 19 11 20 1 20 11 7 1 21 50 18 1 22 14 19 ar 23 14 8 1 24 18 48 1 25 18 8 1 26 20 51 1 27 20 21 1 28 19 15 1 29 8 7 1 30 8 9 1 31 45 17 1 32 53 21 1 33 7 17 1 34 7 10 1 35 21 2 1 36 21 16 1 37 1 10 1 38 1 55 1 39 2 25 1 40 17 46 1 41 17 47 1 42 43 15 1 43 32 28 1 44 15 9 1 45 15 44 1 46 10 16 1 47 10 13 1 48 9 36 1 49 9 12 1 50 33 28 1 51 16 23 2 52 40 12 1 53 57 25 1 54 28 25 1 55 28 4 1 56 25 26 1 57 12 13 1 58 12 39 1 59 13 42 1 60 13 41 1 61 23 26 1 62 23 56 1 63 26 3 2 64 4 34 1 65 5 34 2 66 34 35 1