@MOLECULE 4-(cyclohexylmethylamino)-1,2-naphthoquinone 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8095 3.0049 0.9415 O.2 1 UNL1111111111 -0.4001 2 O 4.3391 1.4349 -0.8714 O.2 1 UNL1111111111 -0.3578 3 N -0.6394 -0.0952 -0.0917 N.pl3 1 UNL1111111111 -0.5075 4 C -3.0827 0.1769 -0.3494 C.3 1 UNL1111111111 -0.1282 5 C -3.5165 -0.7366 0.8091 C.3 1 UNL1111111111 -0.2766 6 C -4.1560 1.2509 -0.5973 C.3 1 UNL1111111111 -0.2753 7 C -4.8585 -1.4043 0.4829 C.3 1 UNL1111111111 -0.2645 8 C -5.5026 0.5904 -0.9201 C.3 1 UNL1111111111 -0.2614 9 C -5.9346 -0.3436 0.2176 C.3 1 UNL1111111111 -0.2644 10 C -1.7433 0.8719 -0.0315 C.3 1 UNL1111111111 -0.0867 11 C 0.6550 0.2898 0.1067 C.2 1 UNL1111111111 0.3182 12 C 1.6899 -0.7747 0.0373 C.ar 1 UNL1111111111 -0.0370 13 C 1.0161 1.5855 0.3586 C.2 1 UNL1111111111 -0.5314 14 C 3.0231 -0.3933 -0.1698 C.ar 1 UNL1111111111 -0.1277 15 C 1.3915 -2.1279 0.1993 C.ar 1 UNL1111111111 -0.1619 16 C 2.3962 1.9983 0.4233 C.2 1 UNL1111111111 0.4159 17 C 3.3738 1.0454 -0.2714 C.2 1 UNL1111111111 0.3398 18 C 4.0308 -1.3482 -0.2661 C.ar 1 UNL1111111111 -0.0844 19 C 2.4043 -3.0847 0.1182 C.ar 1 UNL1111111111 -0.1186 20 C 3.7201 -2.7003 -0.1238 C.ar 1 UNL1111111111 -0.1473 21 H -2.9726 -0.4351 -1.2770 H 1 UNL1111111111 0.1435 22 H -3.6075 -0.1490 1.7428 H 1 UNL1111111111 0.1451 23 H -2.7506 -1.5054 1.0116 H 1 UNL1111111111 0.1285 24 H -3.8538 1.9134 -1.4296 H 1 UNL1111111111 0.1374 25 H -4.2605 1.9001 0.2924 H 1 UNL1111111111 0.1429 26 H -5.1690 -2.0591 1.3178 H 1 UNL1111111111 0.1337 27 H -4.7523 -2.0643 -0.3978 H 1 UNL1111111111 0.1358 28 H -5.4302 0.0240 -1.8674 H 1 UNL1111111111 0.1371 29 H -6.2731 1.3655 -1.0880 H 1 UNL1111111111 0.1346 30 H -6.8951 -0.8297 -0.0331 H 1 UNL1111111111 0.1326 31 H -6.1206 0.2427 1.1372 H 1 UNL1111111111 0.1386 32 H -1.7767 1.3419 0.9796 H 1 UNL1111111111 0.1517 33 H -1.5503 1.6920 -0.7655 H 1 UNL1111111111 0.1551 34 H -0.8776 -1.0533 -0.2800 H 1 UNL1111111111 0.3114 35 H 0.2916 2.3729 0.5338 H 1 UNL1111111111 0.1930 36 H 0.3759 -2.4587 0.4067 H 1 UNL1111111111 0.1480 37 H 5.0608 -1.0300 -0.4517 H 1 UNL1111111111 0.1766 38 H 2.1605 -4.1391 0.2467 H 1 UNL1111111111 0.1533 39 H 4.5058 -3.4510 -0.1965 H 1 UNL1111111111 0.1578 @BOND 1 1 16 2 2 2 17 2 3 3 10 1 4 3 11 1 5 3 34 1 6 4 5 1 7 4 6 1 8 4 10 1 9 4 21 1 10 5 7 1 11 5 22 1 12 5 23 1 13 6 8 1 14 6 24 1 15 6 25 1 16 7 9 1 17 7 26 1 18 7 27 1 19 8 9 1 20 8 28 1 21 8 29 1 22 9 30 1 23 9 31 1 24 10 32 1 25 10 33 1 26 11 12 1 27 11 13 2 28 12 14 ar 29 12 15 ar 30 13 16 1 31 13 35 1 32 14 17 1 33 14 18 ar 34 15 19 ar 35 15 36 1 36 16 17 1 37 18 20 ar 38 18 37 1 39 19 20 ar 40 19 38 1 41 20 39 1