@MOLECULE (6z)-6-[(hydroxyamino)methylene]-2,4-cyclohexadien-1-one 17 17 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.3224 -1.8105 0.0495 O.2 1 UNL1 -0.5658 2 O 3.4884 0.2957 -0.2735 O.3 1 UNL1 -0.3244 3 N 2.2494 -0.0947 0.2560 N.4 1 UNL1 -0.2616 4 C -0.0636 0.5031 0.0450 C.2 1 UNL1 -0.3392 5 C -0.4945 -0.8979 0.0150 C.2 1 UNL1 0.5123 6 C -1.0764 1.5260 0.0535 C.2 1 UNL1 -0.0516 7 C -1.9298 -1.1679 -0.0761 C.2 1 UNL1 -0.2990 8 C -2.3940 1.2182 -0.0057 C.2 1 UNL1 -0.2378 9 C -2.8237 -0.1570 -0.0787 C.2 1 UNL1 -0.0428 10 C 1.2715 0.8357 0.0211 C.2 1 UNL1 0.1614 11 H -0.7449 2.5636 0.1094 H 1 UNL1 0.1418 12 H -2.2141 -2.2160 -0.1287 H 1 UNL1 0.1768 13 H -3.1599 1.9885 -0.0008 H 1 UNL1 0.1548 14 H -3.8967 -0.3464 -0.1356 H 1 UNL1 0.1479 15 H 1.6020 1.8805 -0.0959 H 1 UNL1 0.1707 16 H 2.0897 -1.0872 0.0205 H 1 UNL1 0.3511 17 H 4.0711 0.4090 0.5384 H 1 UNL1 0.3055 @BOND 1 2 3 1 2 2 17 1 3 14 9 1 4 12 7 1 5 15 10 1 6 9 7 2 7 9 8 1 8 7 5 1 9 8 13 1 10 8 6 2 11 5 4 1 12 5 1 2 13 16 3 1 14 10 4 2 15 10 3 1 16 4 6 1 17 6 11 1