@MOLECULE (11beta)-11,17,21-trihydroxy-19-norpregn-4-ene-3,20-dione 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9804 -0.3178 1.8737 O.3 1 UNL1111111111 -0.5505 2 O 0.4382 1.9418 -1.2669 O.3 1 UNL1111111111 -0.5530 3 O -4.1492 1.5803 -0.3505 O.2 1 UNL1111111111 -0.4373 4 O -6.6463 0.6902 0.0220 O.3 1 UNL1111111111 -0.5271 5 O 6.6833 0.2346 0.9210 O.2 1 UNL1111111111 -0.4595 6 C -1.6440 0.1112 -0.1585 C.3 1 UNL1111111111 0.0505 7 C -0.7623 -1.1244 0.1783 C.3 1 UNL1111111111 -0.1452 8 C 0.6252 -0.9851 -0.4416 C.3 1 UNL1111111111 -0.1176 9 C 1.3162 0.2229 0.2309 C.3 1 UNL1111111111 -0.1824 10 C -2.9940 -0.3605 0.4594 C.3 1 UNL1111111111 0.1668 11 C -1.0132 1.3474 0.4797 C.3 1 UNL1111111111 -0.3236 12 C -1.6382 -2.3156 -0.2445 C.3 1 UNL1111111111 -0.2687 13 C 0.4672 1.5110 0.0817 C.3 1 UNL1111111111 0.1528 14 C -3.0751 -1.8690 0.1183 C.3 1 UNL1111111111 -0.2919 15 C 2.7367 0.4291 -0.3477 C.3 1 UNL1111111111 -0.1476 16 C 1.4599 -2.2486 -0.2065 C.3 1 UNL1111111111 -0.2775 17 C -1.8428 0.3319 -1.6602 C.3 1 UNL1111111111 -0.4621 18 C 2.8450 -2.0797 -0.8337 C.3 1 UNL1111111111 -0.3033 19 C 3.5332 -0.8499 -0.3279 C.2 1 UNL1111111111 0.1211 20 C 3.4489 1.5503 0.4381 C.3 1 UNL1111111111 -0.2691 21 C -4.2284 0.4545 0.0735 C.2 1 UNL1111111111 0.3753 22 C 4.9370 1.6231 0.1055 C.3 1 UNL1111111111 -0.3839 23 C 4.8244 -0.8993 0.0325 C.2 1 UNL1111111111 -0.3744 24 C -5.5774 -0.1648 0.3545 C.3 1 UNL1111111111 -0.1052 25 C 5.5885 0.2947 0.4160 C.2 1 UNL1111111111 0.4927 26 H -0.6442 -1.1782 1.2923 H 1 UNL1111111111 0.1507 27 H 0.5390 -0.7971 -1.5377 H 1 UNL1111111111 0.1547 28 H 1.4102 0.0051 1.3236 H 1 UNL1111111111 0.1505 29 H -1.0779 1.3089 1.5827 H 1 UNL1111111111 0.1353 30 H -1.5683 2.2570 0.1573 H 1 UNL1111111111 0.1810 31 H -1.3559 -3.2392 0.2820 H 1 UNL1111111111 0.1381 32 H -1.5418 -2.5249 -1.3217 H 1 UNL1111111111 0.1412 33 H 0.9150 2.3337 0.6904 H 1 UNL1111111111 0.1113 34 H -3.7700 -2.0654 -0.7106 H 1 UNL1111111111 0.1435 35 H -3.4494 -2.4266 0.9977 H 1 UNL1111111111 0.1658 36 H 2.6485 0.7319 -1.4247 H 1 UNL1111111111 0.1555 37 H 0.9536 -3.1309 -0.6399 H 1 UNL1111111111 0.1422 38 H 1.5525 -2.4579 0.8760 H 1 UNL1111111111 0.1472 39 H -0.8805 0.4401 -2.1814 H 1 UNL1111111111 0.1732 40 H -2.3848 -0.4860 -2.1405 H 1 UNL1111111111 0.1389 41 H -2.3881 1.2659 -1.8568 H 1 UNL1111111111 0.1711 42 H 2.7558 -2.0133 -1.9409 H 1 UNL1111111111 0.1597 43 H 3.4531 -2.9897 -0.6465 H 1 UNL1111111111 0.1570 44 H 3.3242 1.3792 1.5274 H 1 UNL1111111111 0.1523 45 H 2.9750 2.5277 0.2292 H 1 UNL1111111111 0.1400 46 H -2.6719 0.5543 2.2014 H 1 UNL1111111111 0.3223 47 H 1.3195 2.2402 -1.5588 H 1 UNL1111111111 0.3077 48 H 5.4308 2.4349 0.6772 H 1 UNL1111111111 0.1735 49 H 5.1028 1.8689 -0.9618 H 1 UNL1111111111 0.1675 50 H 5.3928 -1.8282 0.0529 H 1 UNL1111111111 0.1797 51 H -5.6856 -0.3946 1.4370 H 1 UNL1111111111 0.1691 52 H -5.7493 -1.0901 -0.2292 H 1 UNL1111111111 0.1565 53 H -6.3052 1.5622 -0.2905 H 1 UNL1111111111 0.3353 @BOND 1 1 10 1 2 1 46 1 3 2 13 1 4 2 47 1 5 3 21 2 6 4 24 1 7 4 53 1 8 5 25 2 9 6 7 1 10 6 10 1 11 6 11 1 12 6 17 1 13 7 8 1 14 7 12 1 15 7 26 1 16 8 9 1 17 8 16 1 18 8 27 1 19 9 13 1 20 9 15 1 21 9 28 1 22 10 14 1 23 10 21 1 24 11 13 1 25 11 29 1 26 11 30 1 27 12 14 1 28 12 31 1 29 12 32 1 30 13 33 1 31 14 34 1 32 14 35 1 33 15 19 1 34 15 20 1 35 15 36 1 36 16 18 1 37 16 37 1 38 16 38 1 39 17 39 1 40 17 40 1 41 17 41 1 42 18 19 1 43 18 42 1 44 18 43 1 45 19 23 2 46 20 22 1 47 20 44 1 48 20 45 1 49 21 24 1 50 22 25 1 51 22 48 1 52 22 49 1 53 23 25 1 54 23 50 1 55 24 51 1 56 24 52 1