@MOLECULE alloxan 12 12 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.4304 -0.0085 -0.0130 O.2 1 UNL11111111 -0.1987 2 O -0.9637 -2.3914 0.0085 O.2 1 UNL11111111 -0.3623 3 O -0.9793 2.3881 0.0082 O.2 1 UNL11111111 -0.3616 4 O 2.8822 0.0074 -0.0053 O.2 1 UNL11111111 -0.4455 5 N 0.9481 -1.1995 0.0003 N.am 1 UNL11111111 -0.6283 6 N 0.9396 1.2031 0.0010 N.am 1 UNL11111111 -0.6295 7 C -1.2372 -0.0028 -0.0033 C.2 1 UNL11111111 0.2459 8 C -0.4473 -1.3068 0.0029 C.2 1 UNL11111111 0.4775 9 C -0.4566 1.3066 0.0027 C.2 1 UNL11111111 0.4788 10 C 1.6756 0.0041 -0.0020 C.2 1 UNL11111111 0.7129 11 H 1.4971 -2.0685 0.0010 H 1 UNL11111111 0.3555 12 H 1.4880 2.0735 0.0020 H 1 UNL11111111 0.3553 @BOND 1 1 7 2 2 4 10 2 3 7 9 1 4 7 8 1 5 10 5 am 6 10 6 am 7 5 11 1 8 5 8 am 9 6 12 1 10 6 9 am 11 9 3 2 12 8 2 2