@MOLECULE (4bs,7s,8as)-7-[(1r)-1-hydroxy-2-propyn-1-yl]-7-methyl-4b,5,6,7,8,8a,9,10-octahydro-2-phenanthrenol 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.5792 -1.6262 -0.1027 O.3 1 UNL1111111111 -0.5334 2 O 5.9755 -0.2875 0.3484 O.3 1 UNL1111111111 -0.4759 3 C -0.3108 0.9026 0.0174 C.3 1 UNL1111111111 -0.0969 4 C -2.5041 -0.3676 0.1613 C.3 1 UNL1111111111 0.0501 5 C 0.4058 -0.3503 -0.5291 C.3 1 UNL1111111111 -0.1087 6 C -1.7905 0.8836 -0.3866 C.3 1 UNL1111111111 -0.3120 7 C -1.7486 -1.6391 -0.2682 C.3 1 UNL1111111111 -0.2827 8 C -0.2613 -1.5897 0.0976 C.3 1 UNL1111111111 -0.2717 9 C 0.3896 2.1543 -0.5238 C.3 1 UNL1111111111 -0.2822 10 C 1.8867 -0.2917 -0.2670 C.ar 1 UNL1111111111 -0.1013 11 C 1.7963 2.2283 0.0783 C.3 1 UNL1111111111 -0.2881 12 C -3.9282 -0.4292 -0.4825 C.3 1 UNL1111111111 0.1416 13 C -2.6381 -0.3028 1.6858 C.3 1 UNL1111111111 -0.4623 14 C 2.5302 0.9231 -0.0009 C.ar 1 UNL1111111111 0.0801 15 C 2.6477 -1.4648 -0.3500 C.ar 1 UNL1111111111 -0.0991 16 C 3.9120 0.9556 0.2171 C.ar 1 UNL1111111111 -0.3460 17 C -4.7334 0.7206 -0.1428 C.1 1 UNL1111111111 -0.1227 18 C 4.0192 -1.4573 -0.1405 C.ar 1 UNL1111111111 -0.2550 19 C 4.6310 -0.2341 0.1481 C.ar 1 UNL1111111111 0.2940 20 C -5.4199 1.6774 0.1358 C.1 1 UNL1111111111 -0.1915 21 H -0.2370 0.9043 1.1317 H 1 UNL1111111111 0.1429 22 H 0.2628 -0.3912 -1.6402 H 1 UNL1111111111 0.1485 23 H -2.2933 1.7964 -0.0151 H 1 UNL1111111111 0.1448 24 H -1.8777 0.9162 -1.4887 H 1 UNL1111111111 0.1425 25 H -1.8538 -1.7852 -1.3609 H 1 UNL1111111111 0.1416 26 H -2.2248 -2.5271 0.1917 H 1 UNL1111111111 0.1512 27 H -0.1276 -1.5757 1.1947 H 1 UNL1111111111 0.1434 28 H 0.2279 -2.5172 -0.2532 H 1 UNL1111111111 0.1358 29 H -0.1829 3.0649 -0.2730 H 1 UNL1111111111 0.1380 30 H 0.4437 2.1212 -1.6277 H 1 UNL1111111111 0.1442 31 H 1.7322 2.5390 1.1443 H 1 UNL1111111111 0.1556 32 H 2.3759 3.0268 -0.4294 H 1 UNL1111111111 0.1513 33 H -3.8530 -0.5598 -1.5954 H 1 UNL1111111111 0.1617 34 H -3.2098 0.5768 2.0035 H 1 UNL1111111111 0.1487 35 H -3.1322 -1.1931 2.0886 H 1 UNL1111111111 0.1426 36 H -1.6547 -0.2418 2.1690 H 1 UNL1111111111 0.1568 37 H 2.1593 -2.4106 -0.5900 H 1 UNL1111111111 0.1534 38 H 4.4110 1.8932 0.4320 H 1 UNL1111111111 0.1602 39 H -4.7957 -1.6182 0.8527 H 1 UNL1111111111 0.3150 40 H 4.6136 -2.3642 -0.1986 H 1 UNL1111111111 0.1750 41 H -6.0043 2.4908 0.3690 H 1 UNL1111111111 0.1859 42 H 6.3571 0.5997 0.5470 H 1 UNL1111111111 0.3247 @BOND 1 1 12 1 2 1 39 1 3 2 19 1 4 2 42 1 5 3 5 1 6 3 6 1 7 3 9 1 8 3 21 1 9 4 6 1 10 4 7 1 11 4 12 1 12 4 13 1 13 5 8 1 14 5 10 1 15 5 22 1 16 6 23 1 17 6 24 1 18 7 8 1 19 7 25 1 20 7 26 1 21 8 27 1 22 8 28 1 23 9 11 1 24 9 29 1 25 9 30 1 26 10 14 ar 27 10 15 ar 28 11 14 1 29 11 31 1 30 11 32 1 31 12 17 1 32 12 33 1 33 13 34 1 34 13 35 1 35 13 36 1 36 14 16 ar 37 15 18 ar 38 15 37 1 39 16 19 ar 40 16 38 1 41 17 20 3 42 18 19 ar 43 18 40 1 44 20 41 1