@MOLECULE 17-acetoxy-6-methylene-4-pregnene-3,20-dione 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0902 0.8093 0.8683 O.3 1 UNL1111 -0.4551 2 O -4.5048 -0.9633 -1.8185 O.2 1 UNL1111 -0.4473 3 O 6.4376 1.3614 1.1005 O.2 1 UNL1111 -0.4594 4 O -5.1995 0.3105 1.4758 O.2 1 UNL1111 -0.5042 5 C -1.5890 -0.1016 -0.6954 C.3 1 UNL1111 0.0630 6 C -0.7783 -0.8285 0.4132 C.3 1 UNL1111 -0.1391 7 C 0.6800 -0.9985 -0.0070 C.3 1 UNL1111 -0.1149 8 C 1.2869 0.4153 -0.1982 C.3 1 UNL1111 -0.1332 9 C -3.0349 -0.2269 -0.1090 C.3 1 UNL1111 0.1460 10 C -1.0338 1.3178 -0.8200 C.3 1 UNL1111 -0.2886 11 C -1.6079 -2.0871 0.7083 C.3 1 UNL1111 -0.2735 12 C 2.7830 0.3343 -0.6291 C.3 1 UNL1111 0.0441 13 C 0.4584 1.2544 -1.1916 C.3 1 UNL1111 -0.2744 14 C -3.0736 -1.6167 0.5603 C.3 1 UNL1111 -0.3072 15 C 1.4683 -1.7562 1.0733 C.3 1 UNL1111 -0.3029 16 C -1.5638 -0.8110 -2.0526 C.3 1 UNL1111 -0.4676 17 C 3.5357 -0.5543 0.3409 C.2 1 UNL1111 0.0684 18 C 3.3615 1.7712 -0.6132 C.3 1 UNL1111 -0.2776 19 C 2.9041 -1.8429 0.6666 C.2 1 UNL1111 0.0076 20 C -4.1215 -0.0262 -1.1649 C.2 1 UNL1111 0.4644 21 C 2.9568 -0.2820 -2.0259 C.3 1 UNL1111 -0.4533 22 C 4.8877 1.7968 -0.6434 C.3 1 UNL1111 -0.3808 23 C 4.7286 -0.2319 0.8627 C.2 1 UNL1111 -0.3388 24 C 5.4427 1.0055 0.5154 C.2 1 UNL1111 0.4871 25 C -4.6464 1.3567 -1.3781 C.3 1 UNL1111 -0.5462 26 C 3.5686 -2.9987 0.5839 C.2 1 UNL1111 -0.3294 27 C -4.1973 0.9545 1.6402 C.2 1 UNL1111 0.6303 28 C -3.9474 2.0142 2.6577 C.3 1 UNL1111 -0.5108 29 H -0.8002 -0.1875 1.3336 H 1 UNL1111 0.1494 30 H 0.7401 -1.5692 -0.9619 H 1 UNL1111 0.1484 31 H 1.2540 0.9302 0.7950 H 1 UNL1111 0.1421 32 H -1.1634 1.8711 0.1300 H 1 UNL1111 0.1515 33 H -1.5884 1.8931 -1.5820 H 1 UNL1111 0.1385 34 H -1.4091 -2.4850 1.7141 H 1 UNL1111 0.1379 35 H -1.3765 -2.8978 -0.0018 H 1 UNL1111 0.1448 36 H 0.5646 0.8452 -2.2139 H 1 UNL1111 0.1448 37 H 0.8572 2.2851 -1.2346 H 1 UNL1111 0.1357 38 H -3.6607 -2.3286 -0.0516 H 1 UNL1111 0.1749 39 H -3.5862 -1.5742 1.5349 H 1 UNL1111 0.1597 40 H 1.0269 -2.7601 1.2298 H 1 UNL1111 0.1544 41 H 1.3828 -1.2405 2.0525 H 1 UNL1111 0.1577 42 H -2.0765 -0.2242 -2.8237 H 1 UNL1111 0.1517 43 H -0.5416 -0.9837 -2.4055 H 1 UNL1111 0.1537 44 H -2.0601 -1.7909 -2.0117 H 1 UNL1111 0.1680 45 H 3.0060 2.3040 0.2919 H 1 UNL1111 0.1475 46 H 2.9657 2.3422 -1.4746 H 1 UNL1111 0.1461 47 H 2.5074 0.3426 -2.8044 H 1 UNL1111 0.1492 48 H 4.0178 -0.4035 -2.2758 H 1 UNL1111 0.1532 49 H 2.4958 -1.2749 -2.0878 H 1 UNL1111 0.1536 50 H 5.2633 2.8398 -0.6118 H 1 UNL1111 0.1711 51 H 5.2777 1.3736 -1.5912 H 1 UNL1111 0.1693 52 H 5.2464 -0.8774 1.5730 H 1 UNL1111 0.1824 53 H -3.9244 2.1365 -1.1097 H 1 UNL1111 0.1699 54 H -4.9511 1.5098 -2.4245 H 1 UNL1111 0.1809 55 H -5.5527 1.5102 -0.7656 H 1 UNL1111 0.1940 56 H 3.1282 -3.9586 0.8013 H 1 UNL1111 0.1513 57 H 4.6040 -3.0717 0.2875 H 1 UNL1111 0.1543 58 H -3.1551 2.7155 2.3547 H 1 UNL1111 0.1837 59 H -3.6352 1.5620 3.6135 H 1 UNL1111 0.1875 60 H -4.8645 2.5925 2.8528 H 1 UNL1111 0.1862 @BOND 1 1 9 1 2 1 27 1 3 2 20 2 4 3 24 2 5 4 27 2 6 5 6 1 7 5 9 1 8 5 10 1 9 5 16 1 10 6 7 1 11 6 11 1 12 6 29 1 13 7 8 1 14 7 15 1 15 7 30 1 16 8 12 1 17 8 13 1 18 8 31 1 19 9 14 1 20 9 20 1 21 10 13 1 22 10 32 1 23 10 33 1 24 11 14 1 25 11 34 1 26 11 35 1 27 12 17 1 28 12 18 1 29 12 21 1 30 13 36 1 31 13 37 1 32 14 38 1 33 14 39 1 34 15 19 1 35 15 40 1 36 15 41 1 37 16 42 1 38 16 43 1 39 16 44 1 40 17 19 1 41 17 23 2 42 18 22 1 43 18 45 1 44 18 46 1 45 19 26 2 46 20 25 1 47 21 47 1 48 21 48 1 49 21 49 1 50 22 24 1 51 22 50 1 52 22 51 1 53 23 24 1 54 23 52 1 55 25 53 1 56 25 54 1 57 25 55 1 58 26 56 1 59 26 57 1 60 27 28 1 61 28 58 1 62 28 59 1 63 28 60 1