@MOLECULE hoobt 17 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.4076 2.0237 0.0029 O.2 1 UNL1 -0.3861 2 O 3.1502 0.0121 -0.2361 O.3 1 UNL1 -0.2013 3 N 1.8568 -0.2225 0.2161 N.ar 1 UNL1 -0.2630 4 N 0.2819 -1.8382 0.0026 N.ar 1 UNL1 -0.1985 5 N 1.4814 -1.5200 0.0207 N.ar 1 UNL1 0.0933 6 C -0.4410 0.4987 0.0357 C.ar 1 UNL1 -0.1976 7 C -0.7583 -0.8737 0.0092 C.ar 1 UNL1 0.0996 8 C -1.4611 1.4513 0.0114 C.ar 1 UNL1 -0.0654 9 C 0.9739 0.9057 0.0443 C.ar 1 UNL1 0.5369 10 C -2.0926 -1.2940 -0.0301 C.ar 1 UNL1 -0.1450 11 C -2.7855 1.0308 -0.0251 C.ar 1 UNL1 -0.1611 12 C -3.0970 -0.3339 -0.0453 C.ar 1 UNL1 -0.0962 13 H -1.2081 2.5159 0.0269 H 1 UNL1 0.1810 14 H -2.3232 -2.3606 -0.0500 H 1 UNL1 0.1821 15 H -3.5893 1.7676 -0.0363 H 1 UNL1 0.1658 16 H -4.1427 -0.6461 -0.0745 H 1 UNL1 0.1609 17 H 3.7403 -0.3363 0.5095 H 1 UNL1 0.2946 @BOND 1 2 3 1 2 2 17 1 3 16 12 1 4 14 10 1 5 12 10 ar 6 12 11 ar 7 15 11 1 8 10 7 ar 9 11 8 ar 10 4 7 ar 11 4 5 ar 12 1 9 2 13 7 6 ar 14 8 13 1 15 8 6 ar 16 5 3 ar 17 6 9 ar 18 9 3 ar