@MOLECULE 2-(hydroxyamino)-1,4-naphthoquinone 21 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.8865 2.3218 -0.2712 O.2 1 UNL1 -0.4081 2 O 0.2786 -2.8547 -0.0932 O.2 1 UNL1 -0.4129 3 O -3.9435 -0.2254 -0.1387 O.3 1 UNL1 -0.3353 4 N -2.9441 0.6555 0.3232 N.4 1 UNL1 -0.2721 5 C 0.8102 0.7086 0.0156 C.ar 1 UNL1 -0.1314 6 C 1.1124 -0.6579 -0.0134 C.ar 1 UNL1 -0.1032 7 C -0.5870 1.1695 -0.0623 C.2 1 UNL1 0.4314 8 C -1.6637 0.1239 0.0740 C.2 1 UNL1 0.0804 9 C 0.0222 -1.6744 -0.0245 C.2 1 UNL1 0.4562 10 C 1.8346 1.6509 0.0801 C.ar 1 UNL1 -0.0851 11 C -1.3618 -1.1873 0.0629 C.2 1 UNL1 -0.3233 12 C 2.4390 -1.0759 -0.0286 C.ar 1 UNL1 -0.1037 13 C 3.1649 1.2259 0.0956 C.ar 1 UNL1 -0.1452 14 C 3.4673 -0.1302 0.0218 C.ar 1 UNL1 -0.1225 15 H 1.5929 2.7170 0.1114 H 1 UNL1 0.1746 16 H -2.1257 -1.9651 0.1132 H 1 UNL1 0.2002 17 H 2.6692 -2.1441 -0.0837 H 1 UNL1 0.1793 18 H 3.9650 1.9625 0.1630 H 1 UNL1 0.1579 19 H 4.5061 -0.4612 0.0065 H 1 UNL1 0.1571 20 H -3.1495 1.5370 -0.1582 H 1 UNL1 0.2979 21 H -4.3795 -0.5437 0.7065 H 1 UNL1 0.3079 @BOND 1 1 7 2 2 20 4 1 3 3 4 1 4 3 21 1 5 2 9 2 6 17 12 1 7 7 5 1 8 7 8 1 9 12 6 ar 10 12 14 ar 11 9 6 1 12 9 11 1 13 6 5 ar 14 19 14 1 15 5 10 ar 16 14 13 ar 17 11 8 2 18 11 16 1 19 8 4 1 20 10 13 ar 21 10 15 1 22 13 18 1