@MOLECULE (4'r,4a's,7a'r,12b's)-4a',9'-dihydroxy-3'-methyl-1,1',2',3,3',4',4a',5'-octahydrospiro[indene-2,6'-[4,12]methano[1]benzofuro[3,2-e]isoquinolin]-7'(7a'h)-one 55 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0922 1.9383 -1.4966 O.3 1 UNL1111111111 -0.2315 2 O 0.1488 -2.3423 -0.6253 O.3 1 UNL1111111111 -0.5732 3 O 1.5744 1.9627 -1.1404 O.2 1 UNL1111111111 -0.3943 4 O -2.7058 4.0714 -0.4447 O.3 1 UNL1111111111 -0.4265 5 N -2.4604 -2.8911 -0.1376 N.3 1 UNL1111111111 -0.4432 6 C -1.2500 -0.3770 -0.8367 C.3 1 UNL1111111111 -0.0333 7 C -0.5737 -1.3865 0.1081 C.3 1 UNL1111111111 0.3018 8 C -1.7309 -2.1139 0.8931 C.3 1 UNL1111111111 -0.0138 9 C -0.3501 0.6739 -1.5266 C.3 1 UNL1111111111 -0.0314 10 C 1.5358 0.0147 0.2237 C.3 1 UNL1111111111 -0.0038 11 C 0.4470 -0.7050 1.0213 C.3 1 UNL1111111111 -0.3314 12 C -2.1022 -1.1458 -1.8559 C.3 1 UNL1111111111 -0.2843 13 C -2.1035 0.5217 0.0072 C.ar 1 UNL1111111111 -0.1303 14 C 0.9739 0.9713 -0.8205 C.2 1 UNL1111111111 0.4067 15 C -2.6077 -1.1580 1.7488 C.3 1 UNL1111111111 -0.3241 16 C -3.1397 -2.0296 -1.1360 C.3 1 UNL1111111111 -0.1110 17 C -2.7947 0.2014 1.1598 C.ar 1 UNL1111111111 -0.0007 18 C 2.4695 -0.9823 -0.5327 C.3 1 UNL1111111111 -0.2755 19 C 2.4609 0.8139 1.1969 C.3 1 UNL1111111111 -0.2873 20 C -2.0086 1.8233 -0.4854 C.ar 1 UNL1111111111 0.1223 21 C 3.8585 -0.5641 -0.1791 C.ar 1 UNL1111111111 -0.0092 22 C 3.8545 0.4404 0.8052 C.ar 1 UNL1111111111 -0.0004 23 C -3.3980 -3.8662 0.4500 C.3 1 UNL1111111111 -0.2731 24 C -3.5511 1.2172 1.7534 C.ar 1 UNL1111111111 -0.1717 25 C -2.7747 2.8309 0.1002 C.ar 1 UNL1111111111 0.1875 26 C -3.5597 2.5060 1.2135 C.ar 1 UNL1111111111 -0.2351 27 C 5.0492 -1.0508 -0.6875 C.ar 1 UNL1111111111 -0.1735 28 C 5.0408 0.9630 1.2875 C.ar 1 UNL1111111111 -0.1722 29 C 6.2511 -0.5231 -0.2001 C.ar 1 UNL1111111111 -0.1525 30 C 6.2469 0.4702 0.7748 C.ar 1 UNL1111111111 -0.1532 31 H -1.2512 -2.8575 1.5812 H 1 UNL1111111111 0.1468 32 H -0.1839 0.4870 -2.6057 H 1 UNL1111111111 0.1747 33 H 0.9156 -1.4628 1.6825 H 1 UNL1111111111 0.1664 34 H -0.0745 0.0109 1.6885 H 1 UNL1111111111 0.1628 35 H -1.4481 -1.7679 -2.4976 H 1 UNL1111111111 0.1591 36 H -2.6264 -0.4412 -2.5303 H 1 UNL1111111111 0.1558 37 H -2.1416 -1.0507 2.7525 H 1 UNL1111111111 0.1601 38 H -3.5908 -1.6353 1.9372 H 1 UNL1111111111 0.1569 39 H -3.9286 -1.3914 -0.6809 H 1 UNL1111111111 0.1311 40 H -3.6425 -2.6902 -1.8754 H 1 UNL1111111111 0.1376 41 H 2.2842 -0.9844 -1.6201 H 1 UNL1111111111 0.1602 42 H 2.2808 -2.0273 -0.2093 H 1 UNL1111111111 0.1839 43 H 2.2614 0.5578 2.2517 H 1 UNL1111111111 0.1512 44 H 2.2946 1.9061 1.1092 H 1 UNL1111111111 0.1754 45 H -0.4550 -3.0494 -0.9636 H 1 UNL1111111111 0.3513 46 H -2.8640 -4.5008 1.1765 H 1 UNL1111111111 0.1466 47 H -3.7653 -4.5308 -0.3515 H 1 UNL1111111111 0.1495 48 H -4.2697 -3.4187 0.9518 H 1 UNL1111111111 0.1233 49 H -4.1299 1.0090 2.6496 H 1 UNL1111111111 0.1546 50 H -4.1677 3.2762 1.6815 H 1 UNL1111111111 0.1589 51 H 5.0572 -1.8234 -1.4502 H 1 UNL1111111111 0.1513 52 H 5.0430 1.7435 2.0420 H 1 UNL1111111111 0.1513 53 H 7.1957 -0.8937 -0.5921 H 1 UNL1111111111 0.1461 54 H 7.1882 0.8730 1.1416 H 1 UNL1111111111 0.1461 55 H -3.2528 4.7195 0.0655 H 1 UNL1111111111 0.3171 @BOND 1 1 9 1 2 1 20 1 3 2 7 1 4 2 45 1 5 3 14 2 6 4 25 1 7 4 55 1 8 5 8 1 9 5 16 1 10 5 23 1 11 6 7 1 12 6 9 1 13 6 12 1 14 6 13 1 15 7 8 1 16 7 11 1 17 8 15 1 18 8 31 1 19 9 14 1 20 9 32 1 21 10 11 1 22 10 14 1 23 10 18 1 24 10 19 1 25 11 33 1 26 11 34 1 27 12 16 1 28 12 35 1 29 12 36 1 30 13 17 ar 31 13 20 ar 32 15 17 1 33 15 37 1 34 15 38 1 35 16 39 1 36 16 40 1 37 17 24 ar 38 18 21 1 39 18 41 1 40 18 42 1 41 19 22 1 42 19 43 1 43 19 44 1 44 20 25 ar 45 21 22 ar 46 21 27 ar 47 22 28 ar 48 23 46 1 49 23 47 1 50 23 48 1 51 24 26 ar 52 24 49 1 53 25 26 ar 54 26 50 1 55 27 29 ar 56 27 51 1 57 28 30 ar 58 28 52 1 59 29 30 ar 60 29 53 1 61 30 54 1