@MOLECULE (17z)-11,20-dihydroxy-3-oxopregna-4,17-dien-21-al 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6439 2.5017 -0.2340 O.3 1 UNL1111111111 -0.5798 2 O 4.1606 1.7413 0.0005 O.2 1 UNL1111111111 -0.4597 3 O -6.1428 0.4458 -1.3759 O.2 1 UNL1111111111 -0.4700 4 O 6.5749 0.9184 -0.8401 O.2 1 UNL1111111111 -0.4289 5 C -0.3049 -1.1873 0.2788 C.3 1 UNL1111111111 -0.1279 6 C 1.1159 -1.1843 -0.2722 C.3 1 UNL1111111111 -0.1481 7 C -0.9646 0.1708 -0.0747 C.3 1 UNL1111111111 -0.1669 8 C 1.9743 -0.0862 0.4255 C.3 1 UNL1111111111 0.0931 9 C -2.4184 0.2425 0.4831 C.3 1 UNL1111111111 0.0546 10 C -0.0889 1.3553 0.4006 C.3 1 UNL1111111111 0.1574 11 C 1.3981 1.2612 0.0025 C.3 1 UNL1111111111 -0.3621 12 C 1.9733 -2.4517 -0.1337 C.3 1 UNL1111111111 -0.2691 13 C -1.1204 -2.3261 -0.3460 C.3 1 UNL1111111111 -0.2721 14 C 3.3568 -0.4376 -0.0703 C.2 1 UNL1111111111 -0.0391 15 C -3.1887 -0.9727 0.0040 C.2 1 UNL1111111111 0.1035 16 C 3.4207 -1.9219 -0.3153 C.3 1 UNL1111111111 -0.2781 17 C -2.5444 -2.3099 0.2133 C.3 1 UNL1111111111 -0.3024 18 C -3.0749 1.5459 -0.0319 C.3 1 UNL1111111111 -0.2728 19 C 2.0196 -0.1900 1.9592 C.3 1 UNL1111111111 -0.4555 20 C -2.4530 0.2330 2.0219 C.3 1 UNL1111111111 -0.4568 21 C -4.5984 1.5358 0.0652 C.3 1 UNL1111111111 -0.3859 22 C -4.4128 -0.9055 -0.5391 C.2 1 UNL1111111111 -0.3721 23 C 4.3727 0.4163 -0.2585 C.2 1 UNL1111111111 0.0264 24 C -5.1459 0.3576 -0.6982 C.2 1 UNL1111111111 0.4960 25 C 5.7303 0.0591 -0.7262 C.2 1 UNL1111111111 0.3056 26 H -0.2842 -1.3196 1.3854 H 1 UNL1111111111 0.1444 27 H 1.0598 -0.9382 -1.3651 H 1 UNL1111111111 0.1494 28 H -1.0360 0.2439 -1.1906 H 1 UNL1111111111 0.1629 29 H -0.1942 1.5131 1.4962 H 1 UNL1111111111 0.1205 30 H 1.5104 1.4045 -1.0897 H 1 UNL1111111111 0.1635 31 H 1.9660 2.0912 0.4678 H 1 UNL1111111111 0.1676 32 H 1.7190 -3.2110 -0.8864 H 1 UNL1111111111 0.1382 33 H 1.8397 -2.9263 0.8507 H 1 UNL1111111111 0.1406 34 H -0.6416 -3.3005 -0.1389 H 1 UNL1111111111 0.1378 35 H -1.1420 -2.2262 -1.4485 H 1 UNL1111111111 0.1482 36 H 3.7869 -2.1477 -1.3332 H 1 UNL1111111111 0.1496 37 H 4.1125 -2.4182 0.3878 H 1 UNL1111111111 0.1501 38 H -2.5337 -2.5441 1.2992 H 1 UNL1111111111 0.1557 39 H -3.1381 -3.1229 -0.2528 H 1 UNL1111111111 0.1531 40 H -2.7702 1.7271 -1.0836 H 1 UNL1111111111 0.1613 41 H -2.6744 2.4149 0.5308 H 1 UNL1111111111 0.1678 42 H 1.0392 -0.0209 2.4143 H 1 UNL1111111111 0.1479 43 H 2.3691 -1.1742 2.2879 H 1 UNL1111111111 0.1480 44 H 2.7081 0.5601 2.3705 H 1 UNL1111111111 0.1590 45 H -3.4835 0.1552 2.3889 H 1 UNL1111111111 0.1522 46 H -1.8903 -0.6057 2.4420 H 1 UNL1111111111 0.1426 47 H -2.0343 1.1567 2.4360 H 1 UNL1111111111 0.1524 48 H -5.0190 2.4829 -0.3293 H 1 UNL1111111111 0.1718 49 H -4.9336 1.4783 1.1191 H 1 UNL1111111111 0.1641 50 H -4.9455 -1.7858 -0.8952 H 1 UNL1111111111 0.1760 51 H 0.0129 3.2194 -0.3029 H 1 UNL1111111111 0.3193 52 H 5.9484 -0.9887 -0.9615 H 1 UNL1111111111 0.1251 53 H 4.9971 2.2592 -0.1729 H 1 UNL1111111111 0.3417 @BOND 1 1 10 1 2 1 51 1 3 2 23 1 4 2 53 1 5 3 24 2 6 4 25 2 7 5 6 1 8 5 7 1 9 5 13 1 10 5 26 1 11 6 8 1 12 6 12 1 13 6 27 1 14 7 9 1 15 7 10 1 16 7 28 1 17 8 11 1 18 8 14 1 19 8 19 1 20 9 15 1 21 9 18 1 22 9 20 1 23 10 11 1 24 10 29 1 25 11 30 1 26 11 31 1 27 12 16 1 28 12 32 1 29 12 33 1 30 13 17 1 31 13 34 1 32 13 35 1 33 14 16 1 34 14 23 2 35 15 17 1 36 15 22 2 37 16 36 1 38 16 37 1 39 17 38 1 40 17 39 1 41 18 21 1 42 18 40 1 43 18 41 1 44 19 42 1 45 19 43 1 46 19 44 1 47 20 45 1 48 20 46 1 49 20 47 1 50 21 24 1 51 21 48 1 52 21 49 1 53 22 24 1 54 22 50 1 55 23 25 1 56 25 52 1