@MOLECULE cis-4-cyclopentadecen-1-one 42 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4776 1.2064 1.3256 O.2 1 UNL1111111111 -0.4576 2 C 0.3879 -3.2081 -0.3555 C.3 1 UNL1111111111 -0.2713 3 C 1.4220 -2.4580 0.4939 C.3 1 UNL1111111111 -0.2703 4 C -0.8376 -2.3601 -0.7269 C.3 1 UNL1111111111 -0.2671 5 C 2.0745 -1.3111 -0.2871 C.3 1 UNL1111111111 -0.2691 6 C -1.5768 -1.8375 0.5110 C.3 1 UNL1111111111 -0.2710 7 C 3.0799 -0.5653 0.5991 C.3 1 UNL1111111111 -0.2659 8 C -2.9719 -1.2968 0.1723 C.3 1 UNL1111111111 -0.2494 9 C 3.7043 0.6391 -0.1188 C.3 1 UNL1111111111 -0.2635 10 C -2.9201 -0.0197 -0.6719 C.3 1 UNL1111111111 -0.3841 11 C 2.6653 1.6884 -0.5529 C.3 1 UNL1111111111 -0.2753 12 C -2.4149 1.1584 0.1246 C.2 1 UNL1111111111 0.4903 13 C -1.8322 2.3046 -0.6738 C.3 1 UNL1111111111 -0.3920 14 C -0.3230 2.0843 -0.8484 C.3 1 UNL1111111111 -0.2516 15 C 1.7445 2.0581 0.5641 C.2 1 UNL1111111111 -0.1571 16 C 0.4247 2.2268 0.4386 C.2 1 UNL1111111111 -0.1804 17 H 0.0559 -4.1116 0.1914 H 1 UNL1111111111 0.1341 18 H 0.8684 -3.5767 -1.2808 H 1 UNL1111111111 0.1319 19 H 2.1991 -3.1663 0.8390 H 1 UNL1111111111 0.1322 20 H 0.9457 -2.0648 1.4125 H 1 UNL1111111111 0.1422 21 H -1.5240 -2.9695 -1.3454 H 1 UNL1111111111 0.1318 22 H -0.5274 -1.5134 -1.3662 H 1 UNL1111111111 0.1290 23 H 1.2938 -0.6089 -0.6376 H 1 UNL1111111111 0.1409 24 H 2.5723 -1.6959 -1.1940 H 1 UNL1111111111 0.1318 25 H -0.9807 -1.0430 1.0037 H 1 UNL1111111111 0.1525 26 H -1.6708 -2.6453 1.2619 H 1 UNL1111111111 0.1391 27 H 3.8799 -1.2568 0.9239 H 1 UNL1111111111 0.1306 28 H 2.5764 -0.2268 1.5262 H 1 UNL1111111111 0.1435 29 H -3.5168 -1.0875 1.1178 H 1 UNL1111111111 0.1550 30 H -3.5602 -2.0710 -0.3543 H 1 UNL1111111111 0.1326 31 H 4.2671 0.2944 -1.0066 H 1 UNL1111111111 0.1319 32 H 4.4504 1.1115 0.5483 H 1 UNL1111111111 0.1331 33 H -3.9345 0.2211 -1.0527 H 1 UNL1111111111 0.1619 34 H -2.2936 -0.1806 -1.5702 H 1 UNL1111111111 0.1611 35 H 2.1074 1.3068 -1.4306 H 1 UNL1111111111 0.1397 36 H 3.1881 2.5993 -0.9130 H 1 UNL1111111111 0.1428 37 H -2.3256 2.4006 -1.6570 H 1 UNL1111111111 0.1528 38 H -2.0173 3.2628 -0.1454 H 1 UNL1111111111 0.1735 39 H 0.0684 2.8133 -1.5905 H 1 UNL1111111111 0.1523 40 H -0.1368 1.0813 -1.2900 H 1 UNL1111111111 0.1469 41 H 2.2340 2.1870 1.5301 H 1 UNL1111111111 0.1470 42 H -0.1919 2.4794 1.3044 H 1 UNL1111111111 0.1653 @BOND 1 1 12 2 2 2 3 1 3 2 4 1 4 2 17 1 5 2 18 1 6 3 5 1 7 3 19 1 8 3 20 1 9 4 6 1 10 4 21 1 11 4 22 1 12 5 7 1 13 5 23 1 14 5 24 1 15 6 8 1 16 6 25 1 17 6 26 1 18 7 9 1 19 7 27 1 20 7 28 1 21 8 10 1 22 8 29 1 23 8 30 1 24 9 11 1 25 9 31 1 26 9 32 1 27 10 12 1 28 10 33 1 29 10 34 1 30 11 15 1 31 11 35 1 32 11 36 1 33 12 13 1 34 13 14 1 35 13 37 1 36 13 38 1 37 14 16 1 38 14 39 1 39 14 40 1 40 15 16 2 41 15 41 1 42 16 42 1