@MOLECULE 3-aminonaphthoquinone 20 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4136 -2.2383 0.0001 O.2 1 UNL1111111111 -0.4186 2 O 0.1212 2.8776 -0.0002 O.2 1 UNL1111111111 -0.4470 3 N -3.3433 -0.3599 -0.0005 N.pl3 1 UNL1111111111 -0.5678 4 C 0.3935 -0.7184 0.0000 C.ar 1 UNL1111111111 -0.1434 5 C 0.7813 0.6260 0.0000 C.ar 1 UNL1111111111 -0.0885 6 C -1.0289 -1.0928 0.0000 C.2 1 UNL1111111111 0.4321 7 C -0.2396 1.7206 0.0000 C.2 1 UNL1111111111 0.4852 8 C -2.0387 0.0367 0.0001 C.2 1 UNL1111111111 0.2034 9 C 1.3583 -1.7249 -0.0000 C.ar 1 UNL1111111111 -0.0826 10 C 2.1319 0.9589 -0.0000 C.ar 1 UNL1111111111 -0.1138 11 C -1.6388 1.3340 0.0004 C.2 1 UNL1111111111 -0.4777 12 C 2.7125 -1.3881 -0.0000 C.ar 1 UNL1111111111 -0.1555 13 C 3.0976 -0.0502 -0.0000 C.ar 1 UNL1111111111 -0.1157 14 H 1.0483 -2.7732 -0.0000 H 1 UNL1111111111 0.1722 15 H 2.4276 2.0125 0.0001 H 1 UNL1111111111 0.1813 16 H -2.3465 2.1597 0.0008 H 1 UNL1111111111 0.1933 17 H 3.4659 -2.1745 -0.0001 H 1 UNL1111111111 0.1567 18 H 4.1550 0.2138 0.0000 H 1 UNL1111111111 0.1551 19 H -3.5771 -1.3342 0.0008 H 1 UNL1111111111 0.3217 20 H -4.0866 0.3031 0.0013 H 1 UNL1111111111 0.3095 @BOND 1 1 6 2 2 2 7 2 3 3 8 1 4 3 19 1 5 3 20 1 6 4 5 ar 7 4 6 1 8 4 9 ar 9 5 7 1 10 5 10 ar 11 6 8 1 12 7 11 1 13 8 11 2 14 9 12 ar 15 9 14 1 16 10 13 ar 17 10 15 1 18 11 16 1 19 12 13 ar 20 12 17 1 21 13 18 1