@MOLECULE 10,17,17-trimethylgona-4,13-dien-3-one 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9087 -0.6312 1.7789 O.2 1 UNL1111111111 -0.4677 2 C -0.3679 -0.3192 -0.4510 C.3 1 UNL1111111111 -0.1194 3 C 0.4412 1.0048 -0.5552 C.3 1 UNL1111111111 -0.1227 4 C -1.8209 -0.1307 -0.9684 C.3 1 UNL1111111111 0.0381 5 C 1.8223 0.7531 -0.0600 C.2 1 UNL1111111111 -0.0643 6 C 0.4097 -1.4210 -1.1893 C.3 1 UNL1111111111 -0.2769 7 C 2.4009 -0.4595 -0.0425 C.2 1 UNL1111111111 -0.0610 8 C -0.2575 2.1380 0.2118 C.3 1 UNL1111111111 -0.2645 9 C 3.8243 -0.4162 0.4689 C.3 1 UNL1111111111 0.1001 10 C 1.7290 -1.7177 -0.4520 C.3 1 UNL1111111111 -0.2727 11 C -2.3938 0.9975 -0.1344 C.2 1 UNL1111111111 0.1111 12 C 2.7403 1.8356 0.4255 C.3 1 UNL1111111111 -0.2728 13 C -1.7017 2.3167 -0.2871 C.3 1 UNL1111111111 -0.3030 14 C -2.6581 -1.4234 -0.8046 C.3 1 UNL1111111111 -0.2784 15 C 4.0574 1.0999 0.7779 C.3 1 UNL1111111111 -0.2910 16 C -1.8600 0.2368 -2.4608 C.3 1 UNL1111111111 -0.4570 17 C -3.1037 -1.6721 0.6335 C.3 1 UNL1111111111 -0.3842 18 C -3.3629 0.8314 0.7760 C.2 1 UNL1111111111 -0.3747 19 C 3.9661 -1.2590 1.7401 C.3 1 UNL1111111111 -0.4609 20 C 4.8033 -0.9062 -0.6026 C.3 1 UNL1111111111 -0.4614 21 C -3.9092 -0.4886 1.1162 C.2 1 UNL1111111111 0.4958 22 H -0.4326 -0.5994 0.6300 H 1 UNL1111111111 0.1497 23 H 0.5141 1.2986 -1.6348 H 1 UNL1111111111 0.1487 24 H 0.6236 -1.1055 -2.2269 H 1 UNL1111111111 0.1417 25 H -0.1891 -2.3460 -1.2649 H 1 UNL1111111111 0.1389 26 H 0.3023 3.0828 0.0889 H 1 UNL1111111111 0.1411 27 H -0.2569 1.9174 1.2966 H 1 UNL1111111111 0.1506 28 H 2.3926 -2.3263 -1.0985 H 1 UNL1111111111 0.1476 29 H 1.5298 -2.3411 0.4457 H 1 UNL1111111111 0.1509 30 H 2.9018 2.6049 -0.3485 H 1 UNL1111111111 0.1427 31 H 2.3260 2.3553 1.3066 H 1 UNL1111111111 0.1450 32 H -1.7137 2.6617 -1.3391 H 1 UNL1111111111 0.1550 33 H -2.2058 3.1177 0.2887 H 1 UNL1111111111 0.1529 34 H -2.0889 -2.2944 -1.1804 H 1 UNL1111111111 0.1459 35 H -3.5568 -1.3589 -1.4530 H 1 UNL1111111111 0.1497 36 H 4.8985 1.4977 0.1910 H 1 UNL1111111111 0.1384 37 H 4.3196 1.2503 1.8347 H 1 UNL1111111111 0.1395 38 H -1.5736 -0.6174 -3.0850 H 1 UNL1111111111 0.1498 39 H -2.8654 0.5500 -2.7660 H 1 UNL1111111111 0.1509 40 H -1.1742 1.0547 -2.7061 H 1 UNL1111111111 0.1501 41 H -2.2352 -1.8213 1.3056 H 1 UNL1111111111 0.1688 42 H -3.6995 -2.6036 0.7073 H 1 UNL1111111111 0.1702 43 H -3.7781 1.6583 1.3495 H 1 UNL1111111111 0.1787 44 H 4.9691 -1.1677 2.1691 H 1 UNL1111111111 0.1454 45 H 3.2440 -0.9455 2.5032 H 1 UNL1111111111 0.1509 46 H 3.7888 -2.3203 1.5367 H 1 UNL1111111111 0.1450 47 H 4.6561 -1.9686 -0.8243 H 1 UNL1111111111 0.1446 48 H 4.6703 -0.3537 -1.5399 H 1 UNL1111111111 0.1494 49 H 5.8420 -0.7779 -0.2809 H 1 UNL1111111111 0.1458 @BOND 1 1 21 2 2 2 3 1 3 2 4 1 4 2 6 1 5 2 22 1 6 3 5 1 7 3 8 1 8 3 23 1 9 4 11 1 10 4 14 1 11 4 16 1 12 5 7 2 13 5 12 1 14 6 10 1 15 6 24 1 16 6 25 1 17 7 9 1 18 7 10 1 19 8 13 1 20 8 26 1 21 8 27 1 22 9 15 1 23 9 19 1 24 9 20 1 25 10 28 1 26 10 29 1 27 11 13 1 28 11 18 2 29 12 15 1 30 12 30 1 31 12 31 1 32 13 32 1 33 13 33 1 34 14 17 1 35 14 34 1 36 14 35 1 37 15 36 1 38 15 37 1 39 16 38 1 40 16 39 1 41 16 40 1 42 17 21 1 43 17 41 1 44 17 42 1 45 18 21 1 46 18 43 1 47 19 44 1 48 19 45 1 49 19 46 1 50 20 47 1 51 20 48 1 52 20 49 1