@MOLECULE 8-cyclohexadecenone 45 45 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.9233 -0.3890 1.1095 O.2 1 UNL1111111111 -0.4691 2 C 0.9521 2.8371 0.5914 C.3 1 UNL1111111111 -0.2694 3 C -0.1882 2.6958 -0.4270 C.3 1 UNL1111111111 -0.2710 4 C 1.6700 1.5091 0.8614 C.3 1 UNL1111111111 -0.2501 5 C -1.4180 2.0236 0.1966 C.3 1 UNL1111111111 -0.2729 6 C 1.0043 -2.0788 -0.1943 C.3 1 UNL1111111111 -0.2753 7 C 1.7493 -1.4198 -1.3629 C.3 1 UNL1111111111 -0.2532 8 C -0.5066 -2.0640 -0.4445 C.3 1 UNL1111111111 -0.2789 9 C 2.7751 1.2423 -0.1692 C.3 1 UNL1111111111 -0.3827 10 C -2.5998 2.0256 -0.7812 C.3 1 UNL1111111111 -0.2622 11 C 3.2183 -1.1678 -1.0121 C.3 1 UNL1111111111 -0.3898 12 C -1.2646 -2.6427 0.7568 C.3 1 UNL1111111111 -0.2559 13 C 3.3550 -0.1298 0.0779 C.2 1 UNL1111111111 0.4878 14 C -3.7779 1.2042 -0.2270 C.3 1 UNL1111111111 -0.2812 15 C -2.7833 -2.4567 0.5929 C.3 1 UNL1111111111 -0.2821 16 C -3.4812 -0.2572 -0.3333 C.2 1 UNL1111111111 -0.1665 17 C -3.1386 -1.0093 0.7163 C.2 1 UNL1111111111 -0.1600 18 H 0.5510 3.2414 1.5411 H 1 UNL1111111111 0.1394 19 H 1.6769 3.5939 0.2369 H 1 UNL1111111111 0.1356 20 H 0.1530 2.1201 -1.3069 H 1 UNL1111111111 0.1344 21 H -0.4649 3.6958 -0.8113 H 1 UNL1111111111 0.1329 22 H 0.9386 0.6767 0.8607 H 1 UNL1111111111 0.1466 23 H 2.1126 1.5144 1.8785 H 1 UNL1111111111 0.1521 24 H -1.7024 2.5385 1.1328 H 1 UNL1111111111 0.1369 25 H -1.1762 0.9829 0.4900 H 1 UNL1111111111 0.1466 26 H 1.3613 -3.1152 -0.0493 H 1 UNL1111111111 0.1418 27 H 1.2362 -1.5521 0.7523 H 1 UNL1111111111 0.1449 28 H 1.2516 -0.4707 -1.6434 H 1 UNL1111111111 0.1415 29 H 1.6846 -2.0647 -2.2603 H 1 UNL1111111111 0.1405 30 H -0.7508 -2.6335 -1.3593 H 1 UNL1111111111 0.1357 31 H -0.8503 -1.0274 -0.6362 H 1 UNL1111111111 0.1461 32 H 3.5784 2.0005 -0.0680 H 1 UNL1111111111 0.1667 33 H 2.3834 1.3488 -1.1965 H 1 UNL1111111111 0.1564 34 H -2.2859 1.6187 -1.7603 H 1 UNL1111111111 0.1372 35 H -2.9275 3.0641 -0.9736 H 1 UNL1111111111 0.1336 36 H 3.7827 -0.8403 -1.9062 H 1 UNL1111111111 0.1594 37 H 3.6993 -2.1149 -0.6868 H 1 UNL1111111111 0.1731 38 H -0.9273 -2.1555 1.6915 H 1 UNL1111111111 0.1408 39 H -1.0287 -3.7168 0.8707 H 1 UNL1111111111 0.1353 40 H -4.7010 1.4456 -0.7920 H 1 UNL1111111111 0.1416 41 H -3.9883 1.5041 0.8182 H 1 UNL1111111111 0.1443 42 H -3.3189 -3.0463 1.3642 H 1 UNL1111111111 0.1424 43 H -3.1122 -2.8774 -0.3771 H 1 UNL1111111111 0.1420 44 H -3.5418 -0.6635 -1.3406 H 1 UNL1111111111 0.1414 45 H -3.0718 -0.6045 1.7237 H 1 UNL1111111111 0.1435 @BOND 1 1 13 2 2 2 3 1 3 2 4 1 4 2 18 1 5 2 19 1 6 3 5 1 7 3 20 1 8 3 21 1 9 4 9 1 10 4 22 1 11 4 23 1 12 5 10 1 13 5 24 1 14 5 25 1 15 6 7 1 16 6 8 1 17 6 26 1 18 6 27 1 19 7 11 1 20 7 28 1 21 7 29 1 22 8 12 1 23 8 30 1 24 8 31 1 25 9 13 1 26 9 32 1 27 9 33 1 28 10 14 1 29 10 34 1 30 10 35 1 31 11 13 1 32 11 36 1 33 11 37 1 34 12 15 1 35 12 38 1 36 12 39 1 37 14 16 1 38 14 40 1 39 14 41 1 40 15 17 1 41 15 42 1 42 15 43 1 43 16 17 2 44 16 44 1 45 17 45 1