@MOLECULE progesterone 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.8775 -1.5984 -0.3159 C.3 1 UNL1111111111 -0.2775 2 C 4.3720 -1.6189 -0.0077 C.3 1 UNL1111111111 -0.3820 3 C 4.9993 -0.3012 -0.3939 C.2 1 UNL1111111111 0.4940 4 O 6.1233 -0.2507 -0.8350 O.2 1 UNL1111111111 -0.4682 5 C 4.1896 0.9026 -0.1696 C.2 1 UNL1111111111 -0.3776 6 C 2.8993 0.8637 0.1963 C.2 1 UNL1111111111 0.1135 7 C 2.1767 2.1366 0.5142 C.3 1 UNL1111111111 -0.3017 8 C 0.8095 2.1966 -0.1700 C.3 1 UNL1111111111 -0.2767 9 C -0.0168 0.9626 0.2112 C.3 1 UNL1111111111 -0.1239 10 C 0.7238 -0.3146 -0.2614 C.3 1 UNL1111111111 -0.1306 11 C 2.1364 -0.4311 0.3859 C.3 1 UNL1111111111 0.0363 12 C -0.1198 -1.5786 -0.0015 C.3 1 UNL1111111111 -0.2760 13 C -1.5357 -1.4870 -0.5982 C.3 1 UNL1111111111 -0.3017 14 C -2.2421 -0.2361 -0.0626 C.3 1 UNL1111111111 0.0910 15 C -1.3794 0.9894 -0.4807 C.3 1 UNL1111111111 -0.1412 16 C -2.3064 2.1864 -0.2306 C.3 1 UNL1111111111 -0.2788 17 C -3.7125 1.6547 -0.5979 C.3 1 UNL1111111111 -0.2607 18 C -3.5938 0.1161 -0.7531 C.3 1 UNL1111111111 -0.2561 19 C -2.4624 -0.3543 1.4494 C.3 1 UNL1111111111 -0.4675 20 C 2.0644 -0.6992 1.8982 C.3 1 UNL1111111111 -0.4518 21 C -4.7583 -0.6130 -0.1254 C.2 1 UNL1111111111 0.4951 22 O -5.4597 -0.1089 0.7158 O.2 1 UNL1111111111 -0.4653 23 C -5.0278 -2.0070 -0.6175 C.3 1 UNL1111111111 -0.5562 24 H 2.7319 -1.5219 -1.4124 H 1 UNL1111111111 0.1472 25 H 2.4254 -2.5631 -0.0176 H 1 UNL1111111111 0.1445 26 H 4.8718 -2.4531 -0.5404 H 1 UNL1111111111 0.1709 27 H 4.5577 -1.8057 1.0692 H 1 UNL1111111111 0.1686 28 H 4.7275 1.8393 -0.3134 H 1 UNL1111111111 0.1788 29 H 2.7764 3.0246 0.2253 H 1 UNL1111111111 0.1550 30 H 2.0542 2.2150 1.6169 H 1 UNL1111111111 0.1593 31 H 0.9336 2.2566 -1.2678 H 1 UNL1111111111 0.1455 32 H 0.2774 3.1204 0.1249 H 1 UNL1111111111 0.1433 33 H -0.1494 0.9390 1.3162 H 1 UNL1111111111 0.1445 34 H 0.8721 -0.2227 -1.3669 H 1 UNL1111111111 0.1410 35 H 0.3900 -2.4635 -0.4268 H 1 UNL1111111111 0.1362 36 H -0.1941 -1.7650 1.0865 H 1 UNL1111111111 0.1455 37 H -1.4800 -1.4597 -1.7016 H 1 UNL1111111111 0.1394 38 H -2.1030 -2.3995 -0.3416 H 1 UNL1111111111 0.1377 39 H -1.1996 0.9298 -1.5852 H 1 UNL1111111111 0.1391 40 H -2.0292 3.0589 -0.8392 H 1 UNL1111111111 0.1349 41 H -2.2676 2.5126 0.8210 H 1 UNL1111111111 0.1424 42 H -4.0830 2.1128 -1.5267 H 1 UNL1111111111 0.1341 43 H -4.4437 1.9161 0.1897 H 1 UNL1111111111 0.1640 44 H -3.5366 -0.1432 -1.8335 H 1 UNL1111111111 0.1526 45 H -2.9962 -1.2769 1.7042 H 1 UNL1111111111 0.1476 46 H -1.5209 -0.3585 2.0071 H 1 UNL1111111111 0.1487 47 H -3.0637 0.4815 1.8331 H 1 UNL1111111111 0.1653 48 H 3.0529 -0.6102 2.3651 H 1 UNL1111111111 0.1530 49 H 1.3985 0.0090 2.4032 H 1 UNL1111111111 0.1493 50 H 1.6954 -1.7083 2.1113 H 1 UNL1111111111 0.1498 51 H -5.5707 -2.5942 0.1386 H 1 UNL1111111111 0.1809 52 H -5.6636 -1.9782 -1.5140 H 1 UNL1111111111 0.1779 53 H -4.1129 -2.5518 -0.8742 H 1 UNL1111111111 0.1667 @BOND 1 1 2 1 2 1 11 1 3 1 24 1 4 1 25 1 5 2 3 1 6 2 26 1 7 2 27 1 8 3 4 2 9 3 5 1 10 5 6 2 11 5 28 1 12 6 7 1 13 6 11 1 14 7 8 1 15 7 29 1 16 7 30 1 17 8 9 1 18 8 31 1 19 8 32 1 20 9 10 1 21 9 15 1 22 9 33 1 23 10 11 1 24 10 12 1 25 10 34 1 26 11 20 1 27 12 13 1 28 12 35 1 29 12 36 1 30 13 14 1 31 13 37 1 32 13 38 1 33 14 15 1 34 14 18 1 35 14 19 1 36 15 16 1 37 15 39 1 38 16 17 1 39 16 40 1 40 16 41 1 41 17 18 1 42 17 42 1 43 17 43 1 44 18 21 1 45 18 44 1 46 19 45 1 47 19 46 1 48 19 47 1 49 20 48 1 50 20 49 1 51 20 50 1 52 21 22 2 53 21 23 1 54 23 51 1 55 23 52 1 56 23 53 1