@MOLECULE (1r,3as,3br,15ar,15bs,17as)-1-ethynyl-15a,17a-dimethyl-2,3,3a,3b,4,5,15,15a,15b,16,17,17a-dodecahydro-1h-benzimidazo[2,1-b]cyclopenta[5,6]naphtho[1,2-g]quinazolin-1-ol 64 70 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.8744 -1.1053 0.2549 C.3 1 UNL1 -0.1173 2 C 1.8036 -0.0427 -0.0970 C.3 1 UNL1 -0.1279 3 C 4.2208 -0.6011 -0.2633 C.3 1 UNL1 -0.1533 4 C 0.3862 -0.4760 0.3845 C.3 1 UNL1 0.0553 5 C 4.6190 0.7258 0.4383 C.3 1 UNL1 0.0639 6 C 6.0739 0.9112 -0.1142 C.3 1 UNL1 0.2924 7 C -6.0408 2.2754 0.1477 C.ar 1 UNL1 -0.1533 8 C -7.9352 0.1339 -0.0954 C.ar 1 UNL1 -0.1348 9 C -7.4064 2.5008 0.1950 C.ar 1 UNL1 -0.1503 10 C -8.3365 1.4464 0.0748 C.ar 1 UNL1 -0.1416 11 C 0.2381 -0.4153 1.9135 C.3 1 UNL1 -0.4529 12 C 4.7052 0.6256 1.9642 C.3 1 UNL1 -0.4438 13 H 7.6445 1.9649 0.4962 H 1 UNL1 0.3148 14 C 2.5044 -2.4301 -0.4223 C.3 1 UNL1 -0.2779 15 C 2.1873 1.3469 0.4531 C.3 1 UNL1 -0.2754 16 C 5.4531 -1.5015 -0.0829 C.3 1 UNL1 -0.2733 17 C 1.1636 -2.9268 0.1164 C.3 1 UNL1 -0.2965 18 C -0.6301 0.5004 -0.2723 C.3 1 UNL1 -0.2744 19 C 3.5988 1.7906 0.0313 C.3 1 UNL1 -0.2977 20 C 6.6530 -0.5365 -0.2000 C.3 1 UNL1 -0.3213 21 O 6.7876 1.6567 0.8531 O.3 1 UNL1 -0.5417 22 C -4.5844 -1.0778 -0.2868 C.ar 1 UNL1 0.4237 23 C -1.1567 -2.3028 -0.3657 C.2 1 UNL1 -0.2704 24 C -3.0953 0.8892 -0.0867 C.ar 1 UNL1 0.0634 25 N -5.8945 -1.3439 -0.3049 N.ar 1 UNL1 -0.4000 26 C 6.1312 1.5781 -1.3948 C.1 1 UNL1 -0.1355 27 C 0.0799 -1.9043 -0.0161 C.2 1 UNL1 0.0863 28 C -2.0369 0.0243 -0.2069 C.ar 1 UNL1 -0.1797 29 C -2.2908 -1.3912 -0.3351 C.ar 1 UNL1 0.2722 30 C -5.6215 0.9565 -0.0241 C.ar 1 UNL1 0.0027 31 C -6.5600 -0.1266 -0.1467 C.ar 1 UNL1 0.1224 32 N -3.5079 -1.9114 -0.3839 N.ar 1 UNL1 -0.3855 33 C 6.1882 2.1414 -2.4641 C.1 1 UNL1 -0.1862 34 N -4.3594 0.3615 -0.1144 N.ar 1 UNL1 -0.3226 35 H 2.9187 -1.2513 1.3572 H 1 UNL1 0.1456 36 H 1.7687 0.0312 -1.2136 H 1 UNL1 0.1407 37 H 4.1115 -0.3978 -1.3605 H 1 UNL1 0.1437 38 H 2.4540 -2.3032 -1.5203 H 1 UNL1 0.1454 39 H 3.2903 -3.1868 -0.2420 H 1 UNL1 0.1402 40 H 1.4587 2.1030 0.1055 H 1 UNL1 0.1355 41 H 2.1237 1.3476 1.5579 H 1 UNL1 0.1461 42 H 5.4397 -2.0044 0.8977 H 1 UNL1 0.1434 43 H 5.4951 -2.2962 -0.8423 H 1 UNL1 0.1370 44 H 0.8865 -3.8748 -0.3913 H 1 UNL1 0.1553 45 H 1.2650 -3.1943 1.1928 H 1 UNL1 0.1598 46 H -0.5264 1.5006 0.1955 H 1 UNL1 0.1545 47 H -0.3582 0.6411 -1.3445 H 1 UNL1 0.1623 48 H 0.3151 0.6097 2.2909 H 1 UNL1 0.1510 49 H -0.7418 -0.7984 2.2284 H 1 UNL1 0.1593 50 H 1.0050 -1.0131 2.4168 H 1 UNL1 0.1481 51 H 3.8490 2.7606 0.5002 H 1 UNL1 0.1497 52 H 3.6313 1.9681 -1.0596 H 1 UNL1 0.1436 53 H 5.4490 -0.1149 2.2798 H 1 UNL1 0.1523 54 H 5.0185 1.5875 2.3950 H 1 UNL1 0.1629 55 H 3.7480 0.3529 2.4167 H 1 UNL1 0.1420 56 H 7.2037 -0.6945 -1.1385 H 1 UNL1 0.1453 57 H 7.3726 -0.6930 0.6209 H 1 UNL1 0.1581 58 H -1.3872 -3.3356 -0.6375 H 1 UNL1 0.1877 59 H -2.9890 1.9716 0.0259 H 1 UNL1 0.1782 60 H 6.2359 2.6189 -3.3744 H 1 UNL1 0.1887 61 H -5.3264 3.0866 0.2405 H 1 UNL1 0.1567 62 H -8.6451 -0.6862 -0.1879 H 1 UNL1 0.1770 63 H -7.7802 3.5148 0.3279 H 1 UNL1 0.1529 64 H -9.3995 1.6831 0.1189 H 1 UNL1 0.1534 @BOND 1 60 33 1 2 33 26 3 3 38 14 1 4 26 6 1 5 37 3 1 6 47 18 1 7 36 2 1 8 56 20 1 9 52 19 1 10 43 16 1 11 58 23 1 12 14 39 1 13 14 17 1 14 14 1 1 15 44 17 1 16 32 29 ar 17 32 22 ar 18 23 29 1 19 23 27 2 20 29 28 ar 21 25 22 ar 22 25 31 ar 23 22 34 ar 24 18 28 1 25 18 46 1 26 18 4 1 27 3 16 1 28 3 1 1 29 3 5 1 30 28 24 ar 31 20 6 1 32 20 16 1 33 20 57 1 34 62 8 1 35 31 8 ar 36 31 30 ar 37 34 24 ar 38 34 30 ar 39 6 5 1 40 6 21 1 41 2 1 1 42 2 4 1 43 2 15 1 44 8 10 ar 45 24 59 1 46 16 42 1 47 30 7 ar 48 27 17 1 49 27 4 1 50 19 5 1 51 19 15 1 52 19 51 1 53 10 64 1 54 10 9 ar 55 40 15 1 56 17 45 1 57 7 9 ar 58 7 61 1 59 9 63 1 60 1 35 1 61 4 11 1 62 5 12 1 63 15 41 1 64 13 21 1 65 11 49 1 66 11 48 1 67 11 50 1 68 12 53 1 69 12 54 1 70 12 55 1