@MOLECULE 1,4-androstadiene-3,11,17-trione 44 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6579 -1.8108 -0.0802 O.2 1 UNL1111111111 -0.4183 2 O 4.6698 -1.4948 0.1316 O.2 1 UNL1111111111 -0.4384 3 O -5.1038 -1.2471 -0.3977 O.2 1 UNL1111111111 -0.4501 4 C 2.1466 0.9930 -0.3398 C.3 1 UNL1111111111 -0.1466 5 C 0.6465 1.3187 -0.2682 C.3 1 UNL1111111111 -0.1084 6 C 2.5253 -0.5085 -0.4328 C.3 1 UNL1111111111 -0.0154 7 C -0.1091 0.3921 0.7041 C.3 1 UNL1111111111 -0.2411 8 C -1.6292 0.6945 0.7452 C.3 1 UNL1111111111 0.0397 9 C 2.9145 1.5313 0.8922 C.3 1 UNL1111111111 -0.2732 10 C 1.6336 -1.4285 0.4104 C.3 1 UNL1111111111 -0.4001 11 C 0.0150 1.2485 -1.6680 C.3 1 UNL1111111111 -0.2758 12 C 0.1829 -1.0385 0.2917 C.2 1 UNL1111111111 0.4704 13 C 3.9231 -0.5617 0.2070 C.2 1 UNL1111111111 0.4625 14 C 4.2086 0.7134 0.9616 C.3 1 UNL1111111111 -0.3901 15 C -1.4574 1.6671 -1.6078 C.3 1 UNL1111111111 -0.2976 16 C -2.1970 0.7825 -0.6520 C.2 1 UNL1111111111 0.0919 17 C 2.6004 -1.0007 -1.8729 C.3 1 UNL1111111111 -0.4553 18 C -1.8853 2.0400 1.4573 C.3 1 UNL1111111111 -0.4509 19 C -2.3011 -0.3621 1.5876 C.2 1 UNL1111111111 -0.0954 20 C -3.3089 0.1336 -1.0215 C.2 1 UNL1111111111 -0.3315 21 C -3.4099 -1.0054 1.2140 C.2 1 UNL1111111111 -0.2647 22 C -4.0405 -0.7520 -0.0991 C.2 1 UNL1111111111 0.4831 23 H 2.5590 1.5053 -1.2464 H 1 UNL1111111111 0.1501 24 H 0.5447 2.3695 0.1056 H 1 UNL1111111111 0.1440 25 H 0.2981 0.5454 1.7354 H 1 UNL1111111111 0.1602 26 H 2.3219 1.4073 1.8145 H 1 UNL1111111111 0.1427 27 H 3.1124 2.6104 0.7984 H 1 UNL1111111111 0.1424 28 H 1.9300 -1.4076 1.4788 H 1 UNL1111111111 0.1682 29 H 1.7741 -2.4871 0.0946 H 1 UNL1111111111 0.1924 30 H 0.0926 0.2192 -2.0751 H 1 UNL1111111111 0.1591 31 H 0.5647 1.8976 -2.3734 H 1 UNL1111111111 0.1406 32 H 4.5254 0.5037 1.9981 H 1 UNL1111111111 0.1731 33 H 5.0618 1.2453 0.4997 H 1 UNL1111111111 0.1736 34 H -1.9011 1.6217 -2.6243 H 1 UNL1111111111 0.1579 35 H -1.5509 2.7283 -1.2976 H 1 UNL1111111111 0.1535 36 H 1.6022 -1.1267 -2.3116 H 1 UNL1111111111 0.1600 37 H 3.1656 -0.3188 -2.5176 H 1 UNL1111111111 0.1492 38 H 3.1020 -1.9801 -1.9289 H 1 UNL1111111111 0.1723 39 H -1.3903 2.8726 0.9481 H 1 UNL1111111111 0.1492 40 H -2.9599 2.2656 1.4862 H 1 UNL1111111111 0.1636 41 H -1.5266 2.0234 2.4919 H 1 UNL1111111111 0.1498 42 H -1.8213 -0.5552 2.5466 H 1 UNL1111111111 0.1467 43 H -3.7316 0.2029 -2.0221 H 1 UNL1111111111 0.1794 44 H -3.9007 -1.7570 1.8306 H 1 UNL1111111111 0.1775 @BOND 1 1 12 2 2 2 13 2 3 3 22 2 4 4 5 1 5 4 6 1 6 4 9 1 7 4 23 1 8 5 7 1 9 5 11 1 10 5 24 1 11 6 10 1 12 6 13 1 13 6 17 1 14 7 8 1 15 7 12 1 16 7 25 1 17 8 16 1 18 8 18 1 19 8 19 1 20 9 14 1 21 9 26 1 22 9 27 1 23 10 12 1 24 10 28 1 25 10 29 1 26 11 15 1 27 11 30 1 28 11 31 1 29 13 14 1 30 14 32 1 31 14 33 1 32 15 16 1 33 15 34 1 34 15 35 1 35 16 20 2 36 17 36 1 37 17 37 1 38 17 38 1 39 18 39 1 40 18 40 1 41 18 41 1 42 19 21 2 43 19 42 1 44 20 22 1 45 20 43 1 46 21 22 1 47 21 44 1