@MOLECULE (11beta,17alpha)-11,17,18,21-tetrahydroxypregn-4-ene-3,20-dione 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2383 -0.9076 -0.3052 O.3 1 UNL1111111111 -0.5882 2 O 0.4991 -1.2831 -2.0444 O.3 1 UNL1111111111 -0.5869 3 O -2.3580 -2.2333 -1.6977 O.3 1 UNL1111111111 -0.5877 4 O -2.8887 2.1094 0.7861 O.2 1 UNL1111111111 -0.4617 5 O -4.8579 3.0070 -0.8019 O.3 1 UNL1111111111 -0.5312 6 O 6.2452 1.7616 0.0213 O.2 1 UNL1111111111 -0.4696 7 C -1.7808 -0.5849 -0.0944 C.3 1 UNL1111111111 -0.0110 8 C -0.9582 -0.2636 1.1793 C.3 1 UNL1111111111 -0.1497 9 C 0.4985 -0.6988 1.0195 C.3 1 UNL1111111111 -0.1187 10 C 1.1069 0.0996 -0.1584 C.3 1 UNL1111111111 -0.1701 11 C -3.2211 -0.2291 0.3833 C.3 1 UNL1111111111 0.1831 12 C -1.2310 0.2403 -1.2505 C.3 1 UNL1111111111 -0.3639 13 C 2.6096 -0.2463 -0.3761 C.3 1 UNL1111111111 0.0598 14 C 0.2757 -0.0157 -1.4608 C.3 1 UNL1111111111 0.1657 15 C -1.7948 -0.8755 2.3153 C.3 1 UNL1111111111 -0.2777 16 C -3.2599 -0.6535 1.8753 C.3 1 UNL1111111111 -0.2996 17 C 1.2788 -0.3843 2.3035 C.3 1 UNL1111111111 -0.2721 18 C -1.7451 -2.0953 -0.4133 C.3 1 UNL1111111111 -0.0232 19 C 3.3549 -0.1058 0.9374 C.2 1 UNL1111111111 0.1075 20 C 2.7479 -0.7735 2.1330 C.3 1 UNL1111111111 -0.3031 21 C 3.1704 0.7502 -1.4241 C.3 1 UNL1111111111 -0.2807 22 C 2.8365 -1.6865 -0.8589 C.3 1 UNL1111111111 -0.4449 23 C -3.5477 1.2575 0.2405 C.2 1 UNL1111111111 0.3908 24 C 4.6959 0.7574 -1.4693 C.3 1 UNL1111111111 -0.3807 25 C 4.5409 0.5112 1.0446 C.2 1 UNL1111111111 -0.3781 26 C 5.2506 1.0870 -0.1052 C.2 1 UNL1111111111 0.4944 27 C -4.7535 1.6184 -0.5891 C.3 1 UNL1111111111 -0.0888 28 H -0.9664 0.8534 1.3259 H 1 UNL1111111111 0.1762 29 H 0.5678 -1.7889 0.8077 H 1 UNL1111111111 0.1434 30 H 1.0669 1.1849 0.1330 H 1 UNL1111111111 0.1516 31 H -1.3863 1.3236 -1.0673 H 1 UNL1111111111 0.1691 32 H -1.7803 0.0167 -2.1880 H 1 UNL1111111111 0.1683 33 H 0.6674 0.7084 -2.2188 H 1 UNL1111111111 0.1267 34 H -1.5860 -0.3851 3.2797 H 1 UNL1111111111 0.1477 35 H -1.5720 -1.9434 2.4589 H 1 UNL1111111111 0.1367 36 H -3.8676 -1.5683 1.9876 H 1 UNL1111111111 0.1622 37 H -3.7495 0.1129 2.4985 H 1 UNL1111111111 0.1545 38 H 0.8395 -0.9264 3.1611 H 1 UNL1111111111 0.1395 39 H 1.1966 0.6920 2.5519 H 1 UNL1111111111 0.1503 40 H -2.3150 -2.6906 0.3216 H 1 UNL1111111111 0.1295 41 H -0.7118 -2.4858 -0.4823 H 1 UNL1111111111 0.1479 42 H 2.8411 -1.8754 2.0142 H 1 UNL1111111111 0.1586 43 H 3.3085 -0.5326 3.0598 H 1 UNL1111111111 0.1535 44 H 2.8078 1.7731 -1.2012 H 1 UNL1111111111 0.1445 45 H 2.7720 0.4922 -2.4256 H 1 UNL1111111111 0.1545 46 H 2.5989 -1.7912 -1.9278 H 1 UNL1111111111 0.1738 47 H 2.1938 -2.3980 -0.3320 H 1 UNL1111111111 0.1461 48 H 3.8769 -1.9996 -0.7240 H 1 UNL1111111111 0.1419 49 H -3.8740 -1.4043 -1.0759 H 1 UNL1111111111 0.3602 50 H 5.0641 1.4842 -2.2210 H 1 UNL1111111111 0.1709 51 H 5.0904 -0.2271 -1.7930 H 1 UNL1111111111 0.1700 52 H -0.3358 -1.6693 -2.3826 H 1 UNL1111111111 0.3340 53 H 5.0640 0.6131 1.9945 H 1 UNL1111111111 0.1773 54 H -2.5241 -3.1751 -1.8989 H 1 UNL1111111111 0.3289 55 H -5.6901 1.2790 -0.0987 H 1 UNL1111111111 0.1649 56 H -4.7132 1.1769 -1.6059 H 1 UNL1111111111 0.1711 57 H -4.3203 3.4996 -0.1387 H 1 UNL1111111111 0.3321 @BOND 1 1 11 1 2 1 49 1 3 2 14 1 4 2 52 1 5 3 18 1 6 3 54 1 7 4 23 2 8 5 27 1 9 5 57 1 10 6 26 2 11 7 8 1 12 7 11 1 13 7 12 1 14 7 18 1 15 8 9 1 16 8 15 1 17 8 28 1 18 9 10 1 19 9 17 1 20 9 29 1 21 10 13 1 22 10 14 1 23 10 30 1 24 11 16 1 25 11 23 1 26 12 14 1 27 12 31 1 28 12 32 1 29 13 19 1 30 13 21 1 31 13 22 1 32 14 33 1 33 15 16 1 34 15 34 1 35 15 35 1 36 16 36 1 37 16 37 1 38 17 20 1 39 17 38 1 40 17 39 1 41 18 40 1 42 18 41 1 43 19 20 1 44 19 25 2 45 20 42 1 46 20 43 1 47 21 24 1 48 21 44 1 49 21 45 1 50 22 46 1 51 22 47 1 52 22 48 1 53 23 27 1 54 24 26 1 55 24 50 1 56 24 51 1 57 25 26 1 58 25 53 1 59 27 55 1 60 27 56 1