@MOLECULE testosterone, 17- (4-methylvalerate) 66 69 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9830 0.0883 -0.1916 O.3 1 UNL1111111111 -0.4522 2 O 7.6982 -0.7165 -0.8392 O.2 1 UNL1111111111 -0.4683 3 O -4.3637 1.2120 -1.5622 O.2 1 UNL1111111111 -0.5132 4 C 0.4042 1.3173 -0.2566 C.3 1 UNL1111111111 -0.1463 5 C -0.5956 0.1331 -0.1276 C.3 1 UNL1111111111 0.0462 6 C 1.7292 0.9782 0.4236 C.3 1 UNL1111111111 -0.1209 7 C 2.3400 -0.2470 -0.3061 C.3 1 UNL1111111111 -0.1275 8 C 3.6976 -0.6660 0.3372 C.3 1 UNL1111111111 0.0364 9 C -0.0240 -1.0397 -0.9258 C.3 1 UNL1111111111 -0.2924 10 C 1.3531 -1.4298 -0.3599 C.3 1 UNL1111111111 -0.2777 11 C -1.8656 0.7925 -0.7299 C.3 1 UNL1111111111 0.1170 12 C -0.3964 2.5301 0.2487 C.3 1 UNL1111111111 -0.2758 13 C 2.7038 2.1578 0.3245 C.3 1 UNL1111111111 -0.2759 14 C -1.8402 2.2558 -0.2319 C.3 1 UNL1111111111 -0.3157 15 C 4.6131 0.5384 0.4214 C.2 1 UNL1111111111 0.1119 16 C -0.8886 -0.2887 1.3155 C.3 1 UNL1111111111 -0.4433 17 C 4.0319 1.7958 0.9923 C.3 1 UNL1111111111 -0.3035 18 C 4.3242 -1.7616 -0.5628 C.3 1 UNL1111111111 -0.2779 19 C 3.5265 -1.2093 1.7654 C.3 1 UNL1111111111 -0.4527 20 C 5.7977 -2.0087 -0.2516 C.3 1 UNL1111111111 -0.3822 21 C 5.9078 0.4993 0.0725 C.2 1 UNL1111111111 -0.3772 22 C 6.5751 -0.7228 -0.3940 C.2 1 UNL1111111111 0.4943 23 C -4.2052 0.3848 -0.7026 C.2 1 UNL1111111111 0.6079 24 C -5.2379 -0.4694 -0.0325 C.3 1 UNL1111111111 -0.3442 25 C -6.6376 0.0666 -0.3400 C.3 1 UNL1111111111 -0.2696 26 C -7.7654 -0.7804 0.2773 C.3 1 UNL1111111111 -0.0577 27 C -7.6789 -0.8028 1.8076 C.3 1 UNL1111111111 -0.4541 28 C -7.7654 -2.2089 -0.2784 C.3 1 UNL1111111111 -0.4542 29 H 0.6126 1.4855 -1.3451 H 1 UNL1111111111 0.1424 30 H 1.5532 0.7345 1.4953 H 1 UNL1111111111 0.1429 31 H 2.5560 0.0665 -1.3591 H 1 UNL1111111111 0.1426 32 H 0.0653 -0.7776 -1.9959 H 1 UNL1111111111 0.1401 33 H -0.7091 -1.9063 -0.8830 H 1 UNL1111111111 0.1453 34 H 1.2229 -1.8596 0.6509 H 1 UNL1111111111 0.1426 35 H 1.7751 -2.2414 -0.9819 H 1 UNL1111111111 0.1365 36 H -1.9086 0.7194 -1.8331 H 1 UNL1111111111 0.1353 37 H -0.0069 3.4766 -0.1538 H 1 UNL1111111111 0.1377 38 H -0.3492 2.6128 1.3458 H 1 UNL1111111111 0.1398 39 H 2.2680 3.0535 0.8052 H 1 UNL1111111111 0.1420 40 H 2.8710 2.4341 -0.7342 H 1 UNL1111111111 0.1468 41 H -2.5682 2.3995 0.5828 H 1 UNL1111111111 0.1528 42 H -2.1435 2.9462 -1.0349 H 1 UNL1111111111 0.1543 43 H -1.3396 0.5290 1.8891 H 1 UNL1111111111 0.1503 44 H -1.5985 -1.1256 1.3371 H 1 UNL1111111111 0.1543 45 H 0.0137 -0.6069 1.8455 H 1 UNL1111111111 0.1413 46 H 3.8835 1.6593 2.0858 H 1 UNL1111111111 0.1581 47 H 4.7387 2.6461 0.8986 H 1 UNL1111111111 0.1546 48 H 4.2202 -1.4699 -1.6277 H 1 UNL1111111111 0.1481 49 H 3.7592 -2.7065 -0.4522 H 1 UNL1111111111 0.1454 50 H 2.9506 -0.5215 2.3940 H 1 UNL1111111111 0.1487 51 H 3.0048 -2.1723 1.7700 H 1 UNL1111111111 0.1499 52 H 4.4980 -1.3628 2.2506 H 1 UNL1111111111 0.1520 53 H 6.2163 -2.7872 -0.9214 H 1 UNL1111111111 0.1708 54 H 5.9317 -2.4013 0.7763 H 1 UNL1111111111 0.1677 55 H 6.5541 1.3748 0.1232 H 1 UNL1111111111 0.1785 56 H -5.1302 -1.5189 -0.3818 H 1 UNL1111111111 0.1779 57 H -5.0579 -0.5050 1.0629 H 1 UNL1111111111 0.1772 58 H -6.7787 0.1265 -1.4394 H 1 UNL1111111111 0.1551 59 H -6.7233 1.1125 0.0177 H 1 UNL1111111111 0.1479 60 H -8.7350 -0.2968 -0.0089 H 1 UNL1111111111 0.1304 61 H -7.6225 0.2103 2.2196 H 1 UNL1111111111 0.1442 62 H -6.8006 -1.3540 2.1587 H 1 UNL1111111111 0.1437 63 H -8.5596 -1.2866 2.2441 H 1 UNL1111111111 0.1414 64 H -7.7709 -2.2108 -1.3739 H 1 UNL1111111111 0.1453 65 H -6.8886 -2.7749 0.0501 H 1 UNL1111111111 0.1429 66 H -8.6505 -2.7611 0.0560 H 1 UNL1111111111 0.1419 @BOND 1 1 11 1 2 1 23 1 3 2 22 2 4 3 23 2 5 4 5 1 6 4 6 1 7 4 12 1 8 4 29 1 9 5 9 1 10 5 11 1 11 5 16 1 12 6 7 1 13 6 13 1 14 6 30 1 15 7 8 1 16 7 10 1 17 7 31 1 18 8 15 1 19 8 18 1 20 8 19 1 21 9 10 1 22 9 32 1 23 9 33 1 24 10 34 1 25 10 35 1 26 11 14 1 27 11 36 1 28 12 14 1 29 12 37 1 30 12 38 1 31 13 17 1 32 13 39 1 33 13 40 1 34 14 41 1 35 14 42 1 36 15 17 1 37 15 21 2 38 16 43 1 39 16 44 1 40 16 45 1 41 17 46 1 42 17 47 1 43 18 20 1 44 18 48 1 45 18 49 1 46 19 50 1 47 19 51 1 48 19 52 1 49 20 22 1 50 20 53 1 51 20 54 1 52 21 22 1 53 21 55 1 54 23 24 1 55 24 25 1 56 24 56 1 57 24 57 1 58 25 26 1 59 25 58 1 60 25 59 1 61 26 27 1 62 26 28 1 63 26 60 1 64 27 61 1 65 27 62 1 66 27 63 1 67 28 64 1 68 28 65 1 69 28 66 1