@MOLECULE (4z)-4-[amino(hydroxyamino)methylene]-2-hydroxy-2,5-cyclohexadien-1-one 20 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.4464 1.9483 0.0778 O.2 1 UNL1 -0.4194 2 O -3.6373 -0.4388 -0.1166 O.2 1 UNL1 -0.4241 3 O 3.9215 0.8115 -0.1253 O.3 1 UNL1 -0.3616 4 N 2.5228 0.9786 -0.0328 N.4 1 UNL1 -0.3064 5 N 2.6560 -1.4113 0.0672 N.2 1 UNL1 -0.6034 6 C 0.4743 -0.3256 0.0362 C.3 1 UNL1 -0.2615 7 C -0.3002 0.8951 0.0685 C.2 1 UNL1 -0.2523 8 C -0.2566 -1.5694 0.0282 C.2 1 UNL1 -0.0188 9 C 1.8583 -0.2958 0.0106 C.2 1 UNL1 0.3878 10 C -1.6497 0.8536 0.0351 C.2 1 UNL1 0.1226 11 C -1.6040 -1.6207 -0.0104 C.2 1 UNL1 -0.3331 12 C -2.4314 -0.4112 -0.0405 C.2 1 UNL1 0.4566 13 H 0.2231 1.8426 0.1559 H 1 UNL1 0.1544 14 H 0.3126 -2.5007 0.0376 H 1 UNL1 0.1291 15 H -2.1525 -2.5595 -0.0263 H 1 UNL1 0.1755 16 H 2.2999 1.5219 -0.8738 H 1 UNL1 0.2937 17 H 2.2817 -2.2920 0.3542 H 1 UNL1 0.3152 18 H 3.6521 -1.3232 0.0507 H 1 UNL1 0.3178 19 H -1.9184 2.7813 0.1563 H 1 UNL1 0.3072 20 H 4.2442 1.1850 0.7511 H 1 UNL1 0.3207 @BOND 1 16 4 1 2 3 4 1 3 3 20 1 4 2 12 2 5 12 11 1 6 12 10 1 7 4 9 1 8 15 11 1 9 11 8 2 10 9 6 1 11 9 5 2 12 8 6 1 13 8 14 1 14 10 7 2 15 10 1 1 16 6 7 1 17 18 5 1 18 5 17 1 19 7 13 1 20 1 19 1