@MOLECULE chuanxingzine 22 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -0.0001 1.3913 0.0001 N.ar 1 UNL1 -0.3611 2 N 0.0001 -1.3913 -0.0002 N.ar 1 UNL1 -0.3610 3 C -1.1606 0.7093 -0.0000 C.ar 1 UNL1 0.1083 4 C -1.1605 -0.7093 -0.0001 C.ar 1 UNL1 0.1082 5 C 1.1605 0.7093 -0.0000 C.ar 1 UNL1 0.1083 6 C 1.1606 -0.7093 0.0000 C.ar 1 UNL1 0.1083 7 C -2.4204 1.5034 0.0000 C.3 1 UNL1 -0.4334 8 C -2.4202 -1.5036 0.0001 C.3 1 UNL1 -0.4334 9 C 2.4202 1.5037 -0.0000 C.3 1 UNL1 -0.4334 10 C 2.4204 -1.5034 0.0001 C.3 1 UNL1 -0.4334 11 H -2.2166 2.5886 0.0012 H 1 UNL1 0.1796 12 H -3.0295 1.2892 -0.8904 H 1 UNL1 0.1630 13 H -3.0315 1.2862 0.8883 H 1 UNL1 0.1630 14 H -3.0291 -1.2895 0.8906 H 1 UNL1 0.1630 15 H -3.0314 -1.2866 -0.8881 H 1 UNL1 0.1630 16 H -2.2162 -2.5887 -0.0014 H 1 UNL1 0.1796 17 H 3.0304 1.2880 0.8893 H 1 UNL1 0.1630 18 H 2.2163 2.5887 0.0011 H 1 UNL1 0.1796 19 H 3.0295 1.2891 -0.8902 H 1 UNL1 0.1631 20 H 2.2167 -2.5885 -0.0014 H 1 UNL1 0.1796 21 H 3.0296 -1.2889 0.8904 H 1 UNL1 0.1631 22 H 3.0307 -1.2877 -0.8892 H 1 UNL1 0.1630 @BOND 1 12 7 1 2 19 9 1 3 22 10 1 4 15 8 1 5 16 8 1 6 20 10 1 7 2 4 ar 8 2 6 ar 9 4 3 ar 10 4 8 1 11 7 3 1 12 7 11 1 13 7 13 1 14 6 5 ar 15 6 10 1 16 5 9 1 17 5 1 ar 18 3 1 ar 19 9 18 1 20 9 17 1 21 10 21 1 22 8 14 1