@MOLECULE wnr bq f1 18 18 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0903 -2.3382 -0.0004 O.3 1 UNL111111111 -0.3928 2 O 2.2488 1.0103 -0.0003 O.2 1 UNL111111111 -0.4448 3 O 2.1770 -1.1258 0.0005 O.2 1 UNL111111111 -0.3675 4 N 1.6219 -0.0428 0.0000 N.pl3 1 UNL111111111 0.6549 5 C -0.5080 1.2510 -0.0001 C.ar 1 UNL111111111 0.1974 6 C 0.1779 0.0168 -0.0001 C.ar 1 UNL111111111 -0.2404 7 C -0.5830 -1.1743 -0.0001 C.ar 1 UNL111111111 0.3546 8 C -1.9063 1.2586 -0.0001 C.ar 1 UNL111111111 -0.2982 9 C 0.1988 2.5562 0.0000 C.3 1 UNL111111111 -0.4654 10 C -1.9822 -1.1531 0.0002 C.ar 1 UNL111111111 -0.3658 11 C -2.6345 0.0721 0.0001 C.ar 1 UNL111111111 0.0082 12 H -2.4359 2.2097 -0.0002 H 1 UNL111111111 0.1694 13 H 0.8633 2.6611 0.8786 H 1 UNL111111111 0.1920 14 H 0.8621 2.6628 -0.8790 H 1 UNL111111111 0.1920 15 H -0.4795 3.4192 0.0015 H 1 UNL111111111 0.1571 16 H -2.5463 -2.0802 0.0004 H 1 UNL111111111 0.1710 17 H -3.7264 0.1063 0.0004 H 1 UNL111111111 0.1524 18 H -0.5194 -3.1262 -0.0004 H 1 UNL111111111 0.3259 @BOND 1 1 7 1 2 1 18 1 3 2 4 2 4 3 4 2 5 4 6 1 6 5 6 ar 7 5 8 ar 8 5 9 1 9 6 7 ar 10 7 10 ar 11 8 11 ar 12 8 12 1 13 9 13 1 14 9 14 1 15 9 15 1 16 10 11 ar 17 10 16 1 18 11 17 1