@MOLECULE (2beta)-2-hydroxypregn-4-ene-3,20-dione 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.6081 0.2114 -0.4416 O.2 1 UNL1111111111 -0.4636 2 O 4.2836 2.5229 0.6290 O.3 1 UNL1111111111 -0.5447 3 O 5.6160 0.2017 1.0054 O.2 1 UNL1111111111 -0.4524 4 C -1.5039 -0.9097 0.5955 C.3 1 UNL1111111111 -0.1439 5 C -2.3508 0.2411 -0.0230 C.3 1 UNL1111111111 0.0890 6 C -0.2329 -1.1489 -0.2183 C.3 1 UNL1111111111 -0.1254 7 C 0.6152 0.1521 -0.1342 C.3 1 UNL1111111111 -0.1244 8 C 1.9629 -0.0184 -0.8986 C.3 1 UNL1111111111 0.0364 9 C -3.6208 0.1685 0.8766 C.3 1 UNL1111111111 -0.2564 10 C -1.5309 1.5306 0.0972 C.3 1 UNL1111111111 -0.3014 11 C -0.1884 1.3651 -0.6381 C.3 1 UNL1111111111 -0.2736 12 C -2.5106 -2.0589 0.7420 C.3 1 UNL1111111111 -0.2809 13 C 0.5484 -2.3494 0.3352 C.3 1 UNL1111111111 -0.2744 14 C -3.8379 -1.3501 1.1044 C.3 1 UNL1111111111 -0.2595 15 C 2.6362 -1.2306 -0.2792 C.2 1 UNL1111111111 0.1217 16 C -2.7479 0.0022 -1.4835 C.3 1 UNL1111111111 -0.4678 17 C 1.8812 -2.5152 -0.4113 C.3 1 UNL1111111111 -0.3025 18 C 2.8474 1.2417 -0.7690 C.3 1 UNL1111111111 -0.3349 19 C 1.7514 -0.2597 -2.4025 C.3 1 UNL1111111111 -0.4543 20 C -4.8163 0.8258 0.2282 C.2 1 UNL1111111111 0.4943 21 C 3.5557 1.3197 0.5859 C.3 1 UNL1111111111 0.0496 22 C 3.7759 -1.1752 0.4265 C.2 1 UNL1111111111 -0.3832 23 C 4.4519 0.0902 0.7053 C.2 1 UNL1111111111 0.4321 24 C -4.9898 2.2975 0.4755 C.3 1 UNL1111111111 -0.5557 25 H -1.1944 -0.6018 1.6276 H 1 UNL1111111111 0.1400 26 H -0.4972 -1.3547 -1.2808 H 1 UNL1111111111 0.1447 27 H 0.8635 0.3290 0.9415 H 1 UNL1111111111 0.1406 28 H -3.4112 0.6616 1.8519 H 1 UNL1111111111 0.1525 29 H -1.3510 1.7800 1.1588 H 1 UNL1111111111 0.1406 30 H -2.0824 2.3877 -0.3293 H 1 UNL1111111111 0.1390 31 H -0.3692 1.2757 -1.7254 H 1 UNL1111111111 0.1446 32 H 0.4056 2.2916 -0.5044 H 1 UNL1111111111 0.1432 33 H -2.2083 -2.7787 1.5160 H 1 UNL1111111111 0.1348 34 H -2.6093 -2.6291 -0.1958 H 1 UNL1111111111 0.1424 35 H -0.0559 -3.2702 0.2389 H 1 UNL1111111111 0.1429 36 H 0.7352 -2.2220 1.4185 H 1 UNL1111111111 0.1466 37 H -4.6640 -1.7289 0.4741 H 1 UNL1111111111 0.1636 38 H -4.1278 -1.5507 2.1460 H 1 UNL1111111111 0.1343 39 H -3.2748 0.8678 -1.9014 H 1 UNL1111111111 0.1497 40 H -1.8825 -0.1916 -2.1241 H 1 UNL1111111111 0.1472 41 H -3.4240 -0.8585 -1.5809 H 1 UNL1111111111 0.1657 42 H 1.7041 -2.7719 -1.4744 H 1 UNL1111111111 0.1585 43 H 2.4460 -3.3732 0.0040 H 1 UNL1111111111 0.1538 44 H 2.2580 2.1648 -0.9292 H 1 UNL1111111111 0.1673 45 H 3.6104 1.2598 -1.5744 H 1 UNL1111111111 0.1632 46 H 1.4209 0.6549 -2.9089 H 1 UNL1111111111 0.1530 47 H 2.6803 -0.5853 -2.8863 H 1 UNL1111111111 0.1531 48 H 0.9932 -1.0252 -2.5991 H 1 UNL1111111111 0.1509 49 H 2.8420 1.3856 1.4386 H 1 UNL1111111111 0.1534 50 H 4.2558 -2.0614 0.8396 H 1 UNL1111111111 0.1839 51 H -5.4291 2.4725 1.4675 H 1 UNL1111111111 0.1770 52 H -4.0415 2.8448 0.4291 H 1 UNL1111111111 0.1684 53 H -5.6746 2.7455 -0.2603 H 1 UNL1111111111 0.1813 54 H 5.2494 2.3391 0.7198 H 1 UNL1111111111 0.3398 @BOND 1 1 20 2 2 2 21 1 3 2 54 1 4 3 23 2 5 4 5 1 6 4 6 1 7 4 12 1 8 4 25 1 9 5 9 1 10 5 10 1 11 5 16 1 12 6 7 1 13 6 13 1 14 6 26 1 15 7 8 1 16 7 11 1 17 7 27 1 18 8 15 1 19 8 18 1 20 8 19 1 21 9 14 1 22 9 20 1 23 9 28 1 24 10 11 1 25 10 29 1 26 10 30 1 27 11 31 1 28 11 32 1 29 12 14 1 30 12 33 1 31 12 34 1 32 13 17 1 33 13 35 1 34 13 36 1 35 14 37 1 36 14 38 1 37 15 17 1 38 15 22 2 39 16 39 1 40 16 40 1 41 16 41 1 42 17 42 1 43 17 43 1 44 18 21 1 45 18 44 1 46 18 45 1 47 19 46 1 48 19 47 1 49 19 48 1 50 20 24 1 51 21 23 1 52 21 49 1 53 22 23 1 54 22 50 1 55 24 51 1 56 24 52 1 57 24 53 1