@MOLECULE (11beta,17xi)-11-methoxy-19-norpregna-1(10),2,4-trien-20-yne-2,3,17-triol 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.9030 0.1254 1.7877 O.3 1 UNL111111111 -0.5554 2 O 0.1470 1.5833 -0.8878 O.3 1 UNL111111111 -0.3814 3 O 4.7950 1.9544 0.8352 O.3 1 UNL111111111 -0.4564 4 O 5.9974 -0.1994 -0.3520 O.3 1 UNL111111111 -0.4935 5 C -2.4326 0.2026 -0.0710 C.3 1 UNL111111111 0.0795 6 C -1.7927 -1.1604 0.3136 C.3 1 UNL111111111 -0.1472 7 C -0.3455 -1.2018 -0.1643 C.3 1 UNL111111111 -0.1080 8 C 0.4306 -0.1486 0.6653 C.3 1 UNL111111111 -0.1463 9 C -3.9124 -0.0546 0.3799 C.3 1 UNL111111111 0.2904 10 C -1.7036 1.3120 0.6836 C.3 1 UNL111111111 -0.3446 11 C -2.7911 -2.1993 -0.2166 C.3 1 UNL111111111 -0.2681 12 C -0.1780 1.2636 0.4549 C.3 1 UNL111111111 0.1132 13 C -4.1720 -1.5598 0.0585 C.3 1 UNL111111111 -0.3180 14 C 0.3074 -2.5705 0.0402 C.3 1 UNL111111111 -0.2786 15 C -2.4413 0.4847 -1.5760 C.3 1 UNL111111111 -0.4691 16 C 1.9035 -0.1946 0.3607 C.ar 1 UNL111111111 0.0099 17 C 1.6996 -2.5441 -0.5989 C.3 1 UNL111111111 -0.2706 18 C 2.4897 -1.3289 -0.2143 C.ar 1 UNL111111111 -0.0009 19 C -4.8994 0.8129 -0.2142 C.1 1 UNL111111111 -0.1268 20 C 2.7079 0.8945 0.7162 C.ar 1 UNL111111111 -0.2150 21 C 3.8671 -1.3606 -0.4714 C.ar 1 UNL111111111 -0.2629 22 C 0.2043 2.9698 -1.1566 C.3 1 UNL111111111 -0.2011 23 C 4.0746 0.8626 0.4666 C.ar 1 UNL111111111 0.1947 24 C 4.6504 -0.2680 -0.1363 C.ar 1 UNL111111111 0.1353 25 C -5.7343 1.5412 -0.7010 C.1 1 UNL111111111 -0.1909 26 H -1.7969 -1.2422 1.4336 H 1 UNL111111111 0.1555 27 H -0.2866 -0.9293 -1.2462 H 1 UNL111111111 0.1606 28 H 0.3081 -0.3974 1.7542 H 1 UNL111111111 0.1558 29 H -1.9126 1.2307 1.7704 H 1 UNL111111111 0.1674 30 H -2.0956 2.2997 0.3810 H 1 UNL111111111 0.1501 31 H -2.6834 -3.1685 0.2921 H 1 UNL111111111 0.1360 32 H -2.6427 -2.3905 -1.2918 H 1 UNL111111111 0.1401 33 H 0.3095 1.9921 1.1440 H 1 UNL111111111 0.1159 34 H -4.8433 -1.6734 -0.8050 H 1 UNL111111111 0.1458 35 H -4.6673 -2.0437 0.9147 H 1 UNL111111111 0.1478 36 H -0.3075 -3.3676 -0.4139 H 1 UNL111111111 0.1363 37 H 0.3776 -2.8133 1.1162 H 1 UNL111111111 0.1423 38 H -1.4191 0.5413 -1.9788 H 1 UNL111111111 0.1779 39 H -2.9732 -0.2871 -2.1394 H 1 UNL111111111 0.1433 40 H -2.9150 1.4481 -1.7946 H 1 UNL111111111 0.1482 41 H 1.6010 -2.5704 -1.7065 H 1 UNL111111111 0.1519 42 H 2.2514 -3.4659 -0.3247 H 1 UNL111111111 0.1442 43 H -4.8054 0.0682 2.1557 H 1 UNL111111111 0.3155 44 H 2.2862 1.7826 1.1838 H 1 UNL111111111 0.1752 45 H 4.3147 -2.2364 -0.9312 H 1 UNL111111111 0.1583 46 H 0.9843 3.4526 -0.5590 H 1 UNL111111111 0.1235 47 H -0.7661 3.4476 -0.9967 H 1 UNL111111111 0.1183 48 H 0.4731 3.0002 -2.2202 H 1 UNL111111111 0.1428 49 H -6.4421 2.1603 -1.1173 H 1 UNL111111111 0.1864 50 H 5.7567 1.8254 0.6244 H 1 UNL111111111 0.3385 51 H 6.3429 -1.0354 -0.7439 H 1 UNL111111111 0.3344 @BOND 1 1 9 1 2 1 43 1 3 2 12 1 4 2 22 1 5 3 23 1 6 3 50 1 7 4 24 1 8 4 51 1 9 5 6 1 10 5 9 1 11 5 10 1 12 5 15 1 13 6 7 1 14 6 11 1 15 6 26 1 16 7 8 1 17 7 14 1 18 7 27 1 19 8 12 1 20 8 16 1 21 8 28 1 22 9 13 1 23 9 19 1 24 10 12 1 25 10 29 1 26 10 30 1 27 11 13 1 28 11 31 1 29 11 32 1 30 12 33 1 31 13 34 1 32 13 35 1 33 14 17 1 34 14 36 1 35 14 37 1 36 15 38 1 37 15 39 1 38 15 40 1 39 16 18 ar 40 16 20 ar 41 17 18 1 42 17 41 1 43 17 42 1 44 18 21 ar 45 19 25 3 46 20 23 ar 47 20 44 1 48 21 24 ar 49 21 45 1 50 22 46 1 51 22 47 1 52 22 48 1 53 23 24 ar 54 25 49 1