@MOLECULE [(3e,5z)-6-amino-3-ethyl-5-(hydroxyimino)-6-oxo-3-hexen-2-yl](hydroxy)oxido-lambda~5~-azanyl 15 15 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.6095 1.6866 0.0015 C.1 1 UNL1 0.4489 2 CA 0.4669 0.9240 0.0006 C.2 1 UNL1 0.0395 3 C 0.5479 -0.5599 0.0016 C.2 1 UNL1 -0.0549 4 C -0.6561 -1.1107 0.0014 C.2 1 UNL1 0.0261 5 C -1.9423 -0.5747 -0.0007 C.2 1 UNL1 -0.2725 6 N -3.0570 -1.2321 -0.0024 N.2 1 UNL1 0.1792 7 O -4.2143 -1.0296 -0.0072 O.2 1 UNL1 -0.0124 8 C -1.9239 0.9641 0.0019 C.2 1 UNL1 0.5901 9 O -2.9707 1.5558 0.0050 O.2 1 UNL1 -0.3759 10 N -0.6861 1.6106 -0.0004 N.am 1 UNL1 -0.4582 11 C 1.8137 -1.2743 0.0036 C.2 1 UNL1 -0.5352 12 C 1.8173 -2.6199 0.0125 C.3 1 UNL1 0.5826 13 N 2.9588 -0.4341 -0.0045 N.2 1 UNL1 0.0942 14 O 2.5294 2.3738 -0.0002 O.2 1 UNL1 -0.0959 15 O 4.0412 -0.9259 -0.0080 O.2 1 UNL1 -0.1557 @BOND 1 15 13 1 2 7 6 1 3 13 11 2 4 6 5 2 5 5 4 1 6 5 8 1 7 10 2 1 8 10 8 am 9 14 1 2 10 2 1 2 11 2 3 1 12 4 3 2 13 3 11 1 14 8 9 2 15 11 12 1