@MOLECULE m1g 19 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.1931 2.5132 -0.0000 O.2 1 UNL1 -0.4671 2 N -0.9335 0.5205 0.0006 N.ar 1 UNL1 -0.4872 3 N 2.8006 0.8160 -0.0008 N.pl3 1 UNL1 -0.2936 4 N 0.1977 -1.6340 0.0009 N.2 1 UNL1 -0.3842 5 N 2.6654 -1.4528 0.0002 N.2 1 UNL1 -0.3626 6 N -2.1354 -1.5988 -0.0005 N.ar 1 UNL1 -0.3725 7 C 1.4467 0.4884 0.0001 C.3 1 UNL1 -0.2832 8 C 0.2841 1.3098 0.0002 C.2 1 UNL1 0.6030 9 C 1.3806 -0.9430 0.0005 C.2 1 UNL1 0.3315 10 C -0.9162 -0.9302 0.0004 C.ar 1 UNL1 0.5022 11 C -2.1508 1.1951 0.0006 C.ar 1 UNL1 0.1586 12 C 3.4955 -0.3844 -0.0006 C.2 1 UNL1 0.1512 13 C -3.3230 0.4994 -0.0003 C.ar 1 UNL1 -0.3703 14 C -3.2614 -0.9342 -0.0011 C.ar 1 UNL1 0.1660 15 H 3.1552 1.7487 -0.0014 H 1 UNL1 0.3325 16 H -2.1000 2.2979 0.0013 H 1 UNL1 0.2027 17 H 4.5752 -0.4499 -0.0012 H 1 UNL1 0.1982 18 H -4.2858 0.9999 -0.0005 H 1 UNL1 0.1894 19 H -4.1870 -1.5326 -0.0022 H 1 UNL1 0.1856 @BOND 1 19 14 1 2 15 3 1 3 17 12 1 4 14 6 ar 5 14 13 ar 6 3 12 1 7 3 7 1 8 12 5 2 9 18 13 1 10 6 10 ar 11 13 11 ar 12 1 8 2 13 7 8 1 14 7 9 1 15 5 9 1 16 8 2 am 17 10 2 ar 18 10 4 2 19 9 4 2 20 2 11 ar 21 11 16 1