@MOLECULE (2beta,3beta,5beta,14xi)-2,3,14-trihydroxyandrost-7-ene-6,17-dione 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6858 -1.9006 0.1668 O.3 1 UNL1111111111 -0.5468 2 O 3.7800 2.7656 0.3646 O.3 1 UNL1111111111 -0.5816 3 O 4.6645 0.2301 0.6951 O.3 1 UNL1111111111 -0.5500 4 O -4.9131 1.5437 0.2293 O.2 1 UNL1111111111 -0.4312 5 O 1.8064 -3.4219 -0.1052 O.2 1 UNL1111111111 -0.4385 6 C 1.5559 0.0006 -0.9791 C.3 1 UNL1111111111 0.0942 7 C 0.1561 0.3623 -0.4011 C.3 1 UNL1111111111 -0.1549 8 C -2.0850 -0.6370 0.3626 C.3 1 UNL1111111111 0.2712 9 C -2.8602 0.4444 -0.4452 C.3 1 UNL1111111111 -0.0904 10 C -0.6330 -0.8469 0.0133 C.2 1 UNL1111111111 0.0371 11 C 2.2391 -1.0820 -0.1104 C.3 1 UNL1111111111 -0.2348 12 C -0.6548 1.2164 -1.3891 C.3 1 UNL1111111111 -0.2663 13 C -1.9699 1.6581 -0.7489 C.3 1 UNL1111111111 -0.2780 14 C 2.4702 1.2459 -1.0034 C.3 1 UNL1111111111 -0.3571 15 C -2.2528 -0.2357 1.8564 C.3 1 UNL1111111111 -0.3258 16 C 2.5543 -0.6042 1.3119 C.3 1 UNL1111111111 -0.2976 17 C -3.9338 0.9242 0.5336 C.2 1 UNL1111111111 0.4491 18 C 2.7899 1.7485 0.4054 C.3 1 UNL1111111111 0.0959 19 C 1.4399 -0.5445 -2.4115 C.3 1 UNL1111111111 -0.4743 20 C -3.5820 0.5157 1.9467 C.3 1 UNL1111111111 -0.3949 21 C -0.0876 -2.0591 0.1746 C.2 1 UNL1111111111 -0.3001 22 C 1.3496 -2.3078 -0.0301 C.2 1 UNL1111111111 0.4617 23 C 3.4411 0.6437 1.2710 C.3 1 UNL1111111111 0.1346 24 C -3.4907 -0.1225 -1.7066 C.3 1 UNL1111111111 -0.4314 25 H 0.3198 0.9715 0.5292 H 1 UNL1111111111 0.1519 26 H 3.2143 -1.3670 -0.5931 H 1 UNL1111111111 0.1935 27 H -0.8622 0.6454 -2.3154 H 1 UNL1111111111 0.1572 28 H -0.0706 2.1020 -1.7028 H 1 UNL1111111111 0.1409 29 H -1.7685 2.2345 0.1752 H 1 UNL1111111111 0.1419 30 H -2.5095 2.3566 -1.4200 H 1 UNL1111111111 0.1569 31 H 2.0164 2.0487 -1.6092 H 1 UNL1111111111 0.1403 32 H 3.4224 0.9821 -1.5130 H 1 UNL1111111111 0.1716 33 H -1.4102 0.3918 2.1903 H 1 UNL1111111111 0.1539 34 H -2.2336 -1.1367 2.4943 H 1 UNL1111111111 0.1679 35 H 1.6329 -0.4040 1.8861 H 1 UNL1111111111 0.1434 36 H 3.0942 -1.4103 1.8566 H 1 UNL1111111111 0.1735 37 H 1.8997 2.1825 0.9100 H 1 UNL1111111111 0.1199 38 H 2.3905 -0.9688 -2.7585 H 1 UNL1111111111 0.1584 39 H 0.6897 -1.3442 -2.4740 H 1 UNL1111111111 0.1626 40 H 1.1565 0.2320 -3.1279 H 1 UNL1111111111 0.1474 41 H -3.5232 1.4019 2.6053 H 1 UNL1111111111 0.1765 42 H -4.3883 -0.1060 2.3795 H 1 UNL1111111111 0.1756 43 H -0.6742 -2.9353 0.4662 H 1 UNL1111111111 0.1985 44 H 3.6677 1.0295 2.2910 H 1 UNL1111111111 0.1278 45 H -2.7333 -0.5735 -2.3619 H 1 UNL1111111111 0.1620 46 H -4.2251 -0.9090 -1.4904 H 1 UNL1111111111 0.1535 47 H -4.0171 0.6564 -2.2749 H 1 UNL1111111111 0.1595 48 H -3.6310 -1.8875 0.4162 H 1 UNL1111111111 0.3198 49 H 3.6083 3.4024 -0.3501 H 1 UNL1111111111 0.3240 50 H 5.1858 1.0224 0.4390 H 1 UNL1111111111 0.3317 @BOND 1 1 8 1 2 1 48 1 3 2 18 1 4 2 49 1 5 3 23 1 6 3 50 1 7 4 17 2 8 5 22 2 9 6 7 1 10 6 11 1 11 6 14 1 12 6 19 1 13 7 10 1 14 7 12 1 15 7 25 1 16 8 9 1 17 8 10 1 18 8 15 1 19 9 13 1 20 9 17 1 21 9 24 1 22 10 21 2 23 11 16 1 24 11 22 1 25 11 26 1 26 12 13 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 14 18 1 32 14 31 1 33 14 32 1 34 15 20 1 35 15 33 1 36 15 34 1 37 16 23 1 38 16 35 1 39 16 36 1 40 17 20 1 41 18 23 1 42 18 37 1 43 19 38 1 44 19 39 1 45 19 40 1 46 20 41 1 47 20 42 1 48 21 22 1 49 21 43 1 50 23 44 1 51 24 45 1 52 24 46 1 53 24 47 1