@MOLECULE (17alpha,20e)-21-iodo-19-norpregna-1,3,5(10),20-tetraene-3,17-diol 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 I -4.5293 1.2169 0.3243 I 1 UNL11 -0.0354 2 O -2.0238 -2.3475 -1.6819 O.3 1 UNL11 -0.5534 3 O 7.7045 1.8767 -0.1060 O.3 1 UNL11 -0.4765 4 C -0.0286 -1.3408 -0.8220 C.3 1 UNL11 0.0622 5 C 0.6917 -1.5441 0.5418 C.3 1 UNL11 -0.1481 6 C 2.1776 -1.2222 0.4076 C.3 1 UNL11 -0.1113 7 C -1.4484 -1.9009 -0.4753 C.3 1 UNL11 0.2621 8 C 2.2946 0.2858 0.0563 C.3 1 UNL11 -0.1086 9 C 0.0524 0.1445 -1.1819 C.3 1 UNL11 -0.2941 10 C 0.2792 -2.9605 0.9700 C.3 1 UNL11 -0.2695 11 C -1.1808 -3.0995 0.4816 C.3 1 UNL11 -0.3335 12 C 1.5231 0.5951 -1.2446 C.3 1 UNL11 -0.2694 13 C 2.9425 -1.4807 1.7091 C.3 1 UNL11 -0.2789 14 C 0.5429 -2.1874 -1.9641 C.3 1 UNL11 -0.4395 15 C 3.7404 0.7001 -0.0164 C.ar 1 UNL11 -0.0968 16 C 4.4372 -1.2588 1.4623 C.3 1 UNL11 -0.2868 17 C -2.3357 -0.8668 0.1661 C.2 1 UNL11 -0.2031 18 C 4.7314 -0.0203 0.6701 C.ar 1 UNL11 0.0732 19 C 4.1013 1.8500 -0.7227 C.ar 1 UNL11 -0.0909 20 C 6.0622 0.3954 0.6219 C.ar 1 UNL11 -0.2877 21 C -3.2861 -0.2499 -0.5291 C.2 1 UNL11 -0.1956 22 C 5.4225 2.2834 -0.7850 C.ar 1 UNL11 -0.3193 23 C 6.3869 1.5390 -0.1075 C.ar 1 UNL11 0.2938 24 H 0.2558 -0.8272 1.2840 H 1 UNL11 0.1378 25 H 2.6319 -1.8308 -0.4079 H 1 UNL11 0.1496 26 H 1.8220 0.8747 0.8863 H 1 UNL11 0.1470 27 H -0.4957 0.7596 -0.4449 H 1 UNL11 0.1396 28 H -0.4415 0.3296 -2.1545 H 1 UNL11 0.1492 29 H 0.3609 -3.1008 2.0576 H 1 UNL11 0.1361 30 H 0.9275 -3.7225 0.5069 H 1 UNL11 0.1438 31 H -1.3233 -4.0488 -0.0616 H 1 UNL11 0.1553 32 H -1.8861 -3.1149 1.3243 H 1 UNL11 0.1422 33 H 2.0322 0.1117 -2.0995 H 1 UNL11 0.1472 34 H 1.5479 1.6823 -1.4493 H 1 UNL11 0.1362 35 H 2.7652 -2.5104 2.0686 H 1 UNL11 0.1381 36 H 2.5796 -0.8113 2.5110 H 1 UNL11 0.1426 37 H -0.0299 -2.0225 -2.8879 H 1 UNL11 0.1617 38 H 1.5890 -1.9454 -2.1742 H 1 UNL11 0.1450 39 H 0.4831 -3.2588 -1.7451 H 1 UNL11 0.1483 40 H 4.8606 -2.1344 0.9219 H 1 UNL11 0.1566 41 H 4.9721 -1.2241 2.4350 H 1 UNL11 0.1533 42 H -2.1128 -0.6702 1.2148 H 1 UNL11 0.1677 43 H -2.8638 -2.8181 -1.5157 H 1 UNL11 0.3144 44 H 3.3385 2.4349 -1.2387 H 1 UNL11 0.1524 45 H 6.8465 -0.1493 1.1404 H 1 UNL11 0.1752 46 H -3.5070 -0.4157 -1.5781 H 1 UNL11 0.1831 47 H 5.6875 3.1735 -1.3421 H 1 UNL11 0.1595 48 H 7.8771 2.6955 -0.6282 H 1 UNL11 0.3252 @BOND 1 1 21 1 2 2 7 1 3 2 43 1 4 3 23 1 5 3 48 1 6 4 5 1 7 4 7 1 8 4 9 1 9 4 14 1 10 5 6 1 11 5 10 1 12 5 24 1 13 6 8 1 14 6 13 1 15 6 25 1 16 7 11 1 17 7 17 1 18 8 12 1 19 8 15 1 20 8 26 1 21 9 12 1 22 9 27 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 33 1 30 12 34 1 31 13 16 1 32 13 35 1 33 13 36 1 34 14 37 1 35 14 38 1 36 14 39 1 37 15 18 ar 38 15 19 ar 39 16 18 1 40 16 40 1 41 16 41 1 42 17 21 2 43 17 42 1 44 18 20 ar 45 19 22 ar 46 19 44 1 47 20 23 ar 48 20 45 1 49 21 46 1 50 22 23 ar 51 22 47 1