@MOLECULE 18-norpregn-4-ene-3,20-dione, 21-hydroxy-13-(2-propynyl)- 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3023 -1.3896 -1.5691 O.2 1 UNL1111111111 -0.4529 2 O 6.4311 0.6685 0.3454 O.2 1 UNL1111111111 -0.4668 3 O -4.7011 0.5980 -2.6852 O.3 1 UNL1111111111 -0.5211 4 C -1.8249 0.1360 0.8373 C.3 1 UNL1111111111 0.0948 5 C -0.8771 -1.0560 1.1746 C.3 1 UNL1111111111 -0.1394 6 C 0.3785 -1.0972 0.2822 C.3 1 UNL1111111111 -0.1215 7 C 1.0703 0.2797 0.2572 C.3 1 UNL1111111111 -0.1280 8 C 2.3891 0.2580 -0.5768 C.3 1 UNL1111111111 0.0413 9 C -3.2514 -0.4773 0.6480 C.3 1 UNL1111111111 -0.2535 10 C -1.3308 0.8811 -0.4073 C.3 1 UNL1111111111 -0.3075 11 C 0.1089 1.3788 -0.2399 C.3 1 UNL1111111111 -0.2773 12 C -1.7195 -2.3361 1.0087 C.3 1 UNL1111111111 -0.2773 13 C -3.1731 -1.9013 1.2243 C.3 1 UNL1111111111 -0.2550 14 C 1.3464 -2.1525 0.8403 C.3 1 UNL1111111111 -0.2777 15 C -1.8747 1.1049 2.0524 C.3 1 UNL1111111111 -0.2818 16 C 3.2661 -0.8883 -0.1201 C.2 1 UNL1111111111 0.1095 17 C 2.6079 -2.2291 -0.0207 C.3 1 UNL1111111111 -0.3018 18 C 3.0979 1.6168 -0.3413 C.3 1 UNL1111111111 -0.2779 19 C 2.1319 0.0530 -2.0791 C.3 1 UNL1111111111 -0.4505 20 C -3.6596 -0.5286 -0.8036 C.2 1 UNL1111111111 0.4269 21 C 4.5598 1.6013 -0.7799 C.3 1 UNL1111111111 -0.3831 22 C 4.5771 -0.7578 0.1294 C.2 1 UNL1111111111 -0.3780 23 C 5.2994 0.5087 -0.0455 C.2 1 UNL1111111111 0.4937 24 C -2.7292 2.2303 1.8133 C.1 1 UNL1111111111 -0.0536 25 C -4.6047 0.5585 -1.2814 C.3 1 UNL1111111111 -0.1210 26 C -3.4552 3.1762 1.6049 C.1 1 UNL1111111111 -0.2412 27 H -0.5511 -0.9739 2.2372 H 1 UNL1111111111 0.1362 28 H 0.0835 -1.3789 -0.7566 H 1 UNL1111111111 0.1515 29 H 1.3582 0.5198 1.3120 H 1 UNL1111111111 0.1370 30 H -3.9996 0.1219 1.2173 H 1 UNL1111111111 0.1612 31 H -1.9904 1.7407 -0.6321 H 1 UNL1111111111 0.1484 32 H -1.3782 0.2179 -1.2966 H 1 UNL1111111111 0.1596 33 H 0.4455 1.7938 -1.2094 H 1 UNL1111111111 0.1470 34 H 0.1323 2.2355 0.4604 H 1 UNL1111111111 0.1384 35 H -1.4145 -3.1251 1.7108 H 1 UNL1111111111 0.1346 36 H -1.6017 -2.7546 -0.0101 H 1 UNL1111111111 0.1589 37 H -3.8798 -2.5903 0.7320 H 1 UNL1111111111 0.1487 38 H -3.4324 -1.9010 2.2969 H 1 UNL1111111111 0.1374 39 H 0.8544 -3.1424 0.8749 H 1 UNL1111111111 0.1421 40 H 1.6176 -1.9112 1.8860 H 1 UNL1111111111 0.1445 41 H -0.8385 1.4462 2.2906 H 1 UNL1111111111 0.1729 42 H -2.2090 0.5454 2.9580 H 1 UNL1111111111 0.1646 43 H 2.3549 -2.5896 -1.0418 H 1 UNL1111111111 0.1612 44 H 3.2989 -2.9921 0.3928 H 1 UNL1111111111 0.1535 45 H 3.0446 1.8808 0.7344 H 1 UNL1111111111 0.1465 46 H 2.5564 2.4216 -0.8726 H 1 UNL1111111111 0.1466 47 H 1.4667 -0.7989 -2.2621 H 1 UNL1111111111 0.1525 48 H 1.6631 0.9307 -2.5373 H 1 UNL1111111111 0.1516 49 H 3.0666 -0.1342 -2.6207 H 1 UNL1111111111 0.1507 50 H 5.0381 2.5838 -0.5939 H 1 UNL1111111111 0.1709 51 H 4.6504 1.4311 -1.8713 H 1 UNL1111111111 0.1687 52 H 5.1940 -1.5879 0.4694 H 1 UNL1111111111 0.1785 53 H -4.2610 1.5729 -0.9962 H 1 UNL1111111111 0.1647 54 H -5.6266 0.3983 -0.8825 H 1 UNL1111111111 0.1517 55 H -4.0668 3.9838 1.4343 H 1 UNL1111111111 0.1871 56 H -4.4220 -0.2684 -3.0699 H 1 UNL1111111111 0.3336 @BOND 1 1 20 2 2 2 23 2 3 3 25 1 4 3 56 1 5 4 5 1 6 4 9 1 7 4 10 1 8 4 15 1 9 5 6 1 10 5 12 1 11 5 27 1 12 6 7 1 13 6 14 1 14 6 28 1 15 7 8 1 16 7 11 1 17 7 29 1 18 8 16 1 19 8 18 1 20 8 19 1 21 9 13 1 22 9 20 1 23 9 30 1 24 10 11 1 25 10 31 1 26 10 32 1 27 11 33 1 28 11 34 1 29 12 13 1 30 12 35 1 31 12 36 1 32 13 37 1 33 13 38 1 34 14 17 1 35 14 39 1 36 14 40 1 37 15 24 1 38 15 41 1 39 15 42 1 40 16 17 1 41 16 22 2 42 17 43 1 43 17 44 1 44 18 21 1 45 18 45 1 46 18 46 1 47 19 47 1 48 19 48 1 49 19 49 1 50 20 25 1 51 21 23 1 52 21 50 1 53 21 51 1 54 22 23 1 55 22 52 1 56 24 26 3 57 25 53 1 58 25 54 1 59 26 55 1