@MOLECULE (17beta)-3-oxoandrost-4-en-17-yl 3-hexylcyclobutanecarboxylate 79 83 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.4717 -1.1177 -0.0596 C.3 1 UNL1 -0.1216 2 C 2.3068 -1.7934 0.6615 C.3 1 UNL1 -0.1435 3 C 3.3698 0.4049 0.2160 C.3 1 UNL1 -0.1268 4 C 0.9457 -1.3017 0.0925 C.3 1 UNL1 0.0327 5 C 4.5316 1.1867 -0.4683 C.3 1 UNL1 0.0370 6 C -0.0260 -2.2437 0.8539 C.3 1 UNL1 0.1129 7 C -3.2857 -2.1270 -0.8247 C.3 1 UNL1 -0.2059 8 C -5.4051 -1.5339 -0.7084 C.3 1 UNL1 -0.0962 9 C -6.0490 -0.5782 0.2831 C.3 1 UNL1 -0.2876 10 C -6.9115 0.4604 -0.4454 C.3 1 UNL1 -0.2691 11 C -7.5660 1.4209 0.5551 C.3 1 UNL1 -0.2738 12 C -8.5365 2.3686 -0.1612 C.3 1 UNL1 -0.2720 13 C -9.2290 3.2989 0.8436 C.3 1 UNL1 -0.2518 14 C 0.7793 -1.5282 -1.4134 C.3 1 UNL1 -0.4446 15 C 4.4186 1.1731 -2.0015 C.3 1 UNL1 -0.4526 16 C -10.2594 4.1867 0.1458 C.3 1 UNL1 -0.4402 17 O 7.8740 3.3549 0.7730 O.2 1 UNL1 -0.4700 18 O -2.1844 -0.6446 0.7572 O.2 1 UNL1 -0.5166 19 C 1.9911 0.9605 -0.1974 C.3 1 UNL1 -0.2773 20 C 4.8117 -1.6412 0.4714 C.3 1 UNL1 -0.2763 21 C 0.8207 0.1844 0.4308 C.3 1 UNL1 -0.2933 22 C 2.1911 -3.3250 0.6097 C.3 1 UNL1 -0.2773 23 C 0.7151 -3.5970 0.9800 C.3 1 UNL1 -0.3008 24 C 5.9649 -0.9359 -0.2450 C.3 1 UNL1 -0.3037 25 C 4.4758 2.6478 0.0470 C.3 1 UNL1 -0.2771 26 C 5.7442 3.4361 -0.2677 C.3 1 UNL1 -0.3826 27 C -4.5322 -2.6470 -0.0545 C.3 1 UNL1 -0.2784 28 C -4.1401 -0.9812 -1.4317 C.3 1 UNL1 -0.2774 29 C -2.2039 -1.6455 0.0879 C.2 1 UNL1 0.6065 30 O -1.1851 -2.5389 0.0762 O.3 1 UNL1 -0.4473 31 C 6.9464 2.7318 0.3128 C.2 1 UNL1 0.4948 32 C 6.9377 1.2654 0.2514 C.2 1 UNL1 -0.3786 33 C 5.8607 0.5525 -0.1114 C.2 1 UNL1 0.1130 34 H 3.4094 -1.3120 -1.1533 H 1 UNL1 0.1424 35 H 2.3621 -1.4991 1.7421 H 1 UNL1 0.1420 36 H 3.4787 0.5501 1.3207 H 1 UNL1 0.1424 37 H 1.9108 2.0240 0.0962 H 1 UNL1 0.1378 38 H 1.8909 0.9417 -1.2984 H 1 UNL1 0.1414 39 H -0.3438 -1.8289 1.8295 H 1 UNL1 0.1390 40 H 4.8852 -1.4803 1.5637 H 1 UNL1 0.1465 41 H 4.8824 -2.7341 0.3210 H 1 UNL1 0.1404 42 H -0.1456 0.5866 0.0688 H 1 UNL1 0.1585 43 H 0.8028 0.3365 1.5257 H 1 UNL1 0.1437 44 H 2.4303 -3.7114 -0.3936 H 1 UNL1 0.1408 45 H 2.8840 -3.8161 1.3077 H 1 UNL1 0.1358 46 H 0.6218 -4.0022 1.9982 H 1 UNL1 0.1423 47 H 0.2631 -4.3463 0.3066 H 1 UNL1 0.1587 48 H 6.9332 -1.3104 0.1468 H 1 UNL1 0.1540 49 H 5.9650 -1.2040 -1.3238 H 1 UNL1 0.1579 50 H 3.6001 3.1646 -0.3895 H 1 UNL1 0.1466 51 H 4.3104 2.6465 1.1436 H 1 UNL1 0.1485 52 H 0.7980 -2.5957 -1.6622 H 1 UNL1 0.1508 53 H -0.1810 -1.1318 -1.7632 H 1 UNL1 0.1464 54 H 1.5667 -1.0377 -1.9937 H 1 UNL1 0.1442 55 H 3.5610 1.7605 -2.3471 H 1 UNL1 0.1510 56 H 5.3140 1.5987 -2.4698 H 1 UNL1 0.1512 57 H 4.2968 0.1557 -2.3884 H 1 UNL1 0.1479 58 H 7.8852 0.7980 0.5169 H 1 UNL1 0.1778 59 H 5.8852 3.5526 -1.3609 H 1 UNL1 0.1676 60 H 5.6746 4.4683 0.1313 H 1 UNL1 0.1708 61 H -2.8985 -2.8424 -1.5729 H 1 UNL1 0.1705 62 H -4.8249 -3.6673 -0.3102 H 1 UNL1 0.1446 63 H -4.4557 -2.5786 1.0348 H 1 UNL1 0.1536 64 H -3.8431 0.0233 -1.1062 H 1 UNL1 0.1648 65 H -4.1963 -0.9857 -2.5212 H 1 UNL1 0.1411 66 H -6.1543 -1.9390 -1.4088 H 1 UNL1 0.1357 67 H -6.6688 -1.1455 1.0038 H 1 UNL1 0.1402 68 H -5.2722 -0.0715 0.8911 H 1 UNL1 0.1564 69 H -6.2930 1.0271 -1.1663 H 1 UNL1 0.1384 70 H -7.6889 -0.0482 -1.0457 H 1 UNL1 0.1340 71 H -8.1042 0.8496 1.3343 H 1 UNL1 0.1364 72 H -6.7893 2.0014 1.0873 H 1 UNL1 0.1399 73 H -7.9958 2.9646 -0.9194 H 1 UNL1 0.1362 74 H -9.2943 1.7860 -0.7173 H 1 UNL1 0.1352 75 H -9.7207 2.7020 1.6350 H 1 UNL1 0.1336 76 H -8.4766 3.9246 1.3594 H 1 UNL1 0.1346 77 H -10.7491 4.8605 0.8574 H 1 UNL1 0.1405 78 H -9.7951 4.8066 -0.6292 H 1 UNL1 0.1423 79 H -11.0427 3.5900 -0.3346 H 1 UNL1 0.1417 @BOND 1 65 28 1 2 56 15 1 3 57 15 1 4 55 15 1 5 15 5 1 6 54 14 1 7 53 14 1 8 52 14 1 9 61 7 1 10 28 64 1 11 28 7 1 12 28 8 1 13 14 4 1 14 66 8 1 15 59 26 1 16 49 24 1 17 38 19 1 18 69 10 1 19 34 1 1 20 70 10 1 21 73 12 1 22 7 27 1 23 7 29 1 24 74 12 1 25 8 27 1 26 8 9 1 27 78 16 1 28 5 33 1 29 5 25 1 30 5 3 1 31 10 9 1 32 10 11 1 33 44 22 1 34 50 25 1 35 79 16 1 36 62 27 1 37 26 25 1 38 26 60 1 39 26 31 1 40 24 33 1 41 24 48 1 42 24 20 1 43 19 37 1 44 19 3 1 45 19 21 1 46 12 11 1 47 12 13 1 48 33 32 2 49 1 3 1 50 1 20 1 51 1 2 1 52 27 63 1 53 25 51 1 54 42 21 1 55 30 29 1 56 30 6 1 57 29 18 2 58 4 21 1 59 4 2 1 60 4 6 1 61 16 13 1 62 16 77 1 63 3 36 1 64 32 31 1 65 32 58 1 66 9 68 1 67 9 67 1 68 47 23 1 69 31 17 2 70 41 20 1 71 21 43 1 72 20 40 1 73 11 72 1 74 11 71 1 75 22 2 1 76 22 23 1 77 22 45 1 78 2 35 1 79 13 76 1 80 13 75 1 81 6 23 1 82 6 39 1 83 23 46 1