@MOLECULE (1s,3as,3br,10as,10bs,12as)-1-(chloroethynyl)-10a,12a-dimethyl-2,3,3a,3b,6a,10a,10b,11,12,12a-decahydro-1h-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol 50 54 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.6041 -3.3524 -0.7170 Cl 1 UNL11111111111111 0.1153 2 O -4.5460 1.1086 1.3501 O.3 1 UNL11111111111111 -0.5360 3 O 5.9703 -0.8812 -0.6330 O.2 1 UNL11111111111111 -0.1068 4 N 5.9537 -2.0576 0.0554 N.2 1 UNL11111111111111 -0.1237 5 C -2.2386 0.8914 0.7389 C.3 1 UNL11111111111111 0.0675 6 C -1.5479 1.0439 -0.6448 C.3 1 UNL11111111111111 -0.1437 7 C -0.0761 1.4213 -0.4677 C.3 1 UNL11111111111111 -0.1311 8 C 0.6111 0.2446 0.2792 C.3 1 UNL11111111111111 -0.1171 9 C -3.7235 0.6808 0.2837 C.3 1 UNL11111111111111 0.2938 10 C -1.5860 -0.2814 1.4728 C.3 1 UNL11111111111111 -0.2943 11 C -2.4706 2.0023 -1.4147 C.3 1 UNL11111111111111 -0.2713 12 C -0.0775 -0.0220 1.6312 C.3 1 UNL11111111111111 -0.2717 13 C 2.1351 0.5128 0.4244 C.3 1 UNL11111111111111 0.0473 14 C -3.8944 1.6225 -0.9493 C.3 1 UNL11111111111111 -0.3205 15 C -2.1910 2.1521 1.6076 C.3 1 UNL11111111111111 -0.4423 16 C 0.5974 1.6675 -1.7769 C.2 1 UNL11111111111111 -0.1254 17 C 2.7420 0.7913 -0.9527 C.2 1 UNL11111111111111 0.0064 18 C 2.4306 1.7243 1.3239 C.3 1 UNL11111111111111 -0.4460 19 C 2.7983 -0.7112 1.0222 C.2 1 UNL11111111111111 -0.1533 20 C 1.8892 1.3777 -1.9772 C.2 1 UNL11111111111111 -0.1975 21 C -4.0284 -0.6886 -0.0588 C.1 1 UNL11111111111111 -0.1067 22 C 4.0341 0.5204 -1.2161 C.2 1 UNL11111111111111 -0.2229 23 C 4.0768 -0.9539 0.7402 C.2 1 UNL11111111111111 -0.0888 24 C 4.8918 -0.0271 -0.1353 C.3 1 UNL11111111111111 -0.0172 25 C 4.9351 -2.1395 0.8658 C.2 1 UNL11111111111111 -0.0911 26 C -4.2815 -1.8375 -0.3417 C.1 1 UNL11111111111111 -0.1643 27 H -1.5816 0.0525 -1.1681 H 1 UNL11111111111111 0.1481 28 H 0.0035 2.3535 0.1476 H 1 UNL11111111111111 0.1594 29 H 0.4992 -0.6717 -0.3548 H 1 UNL11111111111111 0.1495 30 H -1.7505 -1.2288 0.9261 H 1 UNL11111111111111 0.1446 31 H -2.0556 -0.4235 2.4643 H 1 UNL11111111111111 0.1507 32 H -2.3592 1.8921 -2.5039 H 1 UNL11111111111111 0.1388 33 H -2.2411 3.0544 -1.1804 H 1 UNL11111111111111 0.1435 34 H 0.0819 0.8317 2.3161 H 1 UNL11111111111111 0.1445 35 H 0.3836 -0.8958 2.1292 H 1 UNL11111111111111 0.1373 36 H -4.4689 2.5157 -0.6521 H 1 UNL11111111111111 0.1588 37 H -4.4630 1.1350 -1.7544 H 1 UNL11111111111111 0.1457 38 H -2.7263 1.9858 2.5538 H 1 UNL11111111111111 0.1632 39 H -1.1676 2.4484 1.8529 H 1 UNL11111111111111 0.1419 40 H -2.6795 3.0022 1.1186 H 1 UNL11111111111111 0.1509 41 H -0.0192 2.1114 -2.5553 H 1 UNL11111111111111 0.1477 42 H 2.0419 1.5779 2.3374 H 1 UNL11111111111111 0.1524 43 H 3.5090 1.9013 1.4104 H 1 UNL11111111111111 0.1507 44 H 1.9839 2.6392 0.9177 H 1 UNL11111111111111 0.1551 45 H 2.1877 -1.3670 1.6317 H 1 UNL11111111111111 0.1627 46 H 2.3664 1.5724 -2.9395 H 1 UNL11111111111111 0.1571 47 H -5.4827 0.8751 1.1852 H 1 UNL11111111111111 0.3151 48 H 4.5047 0.6807 -2.1797 H 1 UNL11111111111111 0.1705 49 H 5.4064 0.7791 0.4364 H 1 UNL11111111111111 0.1633 50 H 4.7360 -2.9842 1.5063 H 1 UNL11111111111111 0.1897 @BOND 1 1 26 1 2 2 9 1 3 2 47 1 4 3 4 1 5 3 24 1 6 4 25 2 7 5 6 1 8 5 9 1 9 5 10 1 10 5 15 1 11 6 7 1 12 6 11 1 13 6 27 1 14 7 8 1 15 7 16 1 16 7 28 1 17 8 12 1 18 8 13 1 19 8 29 1 20 9 14 1 21 9 21 1 22 10 12 1 23 10 30 1 24 10 31 1 25 11 14 1 26 11 32 1 27 11 33 1 28 12 34 1 29 12 35 1 30 13 17 1 31 13 18 1 32 13 19 1 33 14 36 1 34 14 37 1 35 15 38 1 36 15 39 1 37 15 40 1 38 16 20 2 39 16 41 1 40 17 20 1 41 17 22 2 42 18 42 1 43 18 43 1 44 18 44 1 45 19 23 2 46 19 45 1 47 20 46 1 48 21 26 3 49 22 24 1 50 22 48 1 51 23 24 1 52 23 25 1 53 24 49 1 54 25 50 1