@MOLECULE 1-methylpyrazole 12 12 0 0 0 SMALL USER_CHARGES @ATOM 1 N -0.6463 0.0474 0.0002 N.ar 1 UNL111111111 -0.0774 2 N 0.0593 -1.1070 0.0001 N.ar 1 UNL111111111 -0.2614 3 C 0.1798 1.1550 -0.0000 C.ar 1 UNL111111111 -0.0971 4 C -2.0981 0.0065 -0.0002 C.3 1 UNL111111111 -0.2345 5 C 1.4918 0.6685 -0.0000 C.ar 1 UNL111111111 -0.2795 6 C 1.3707 -0.7508 -0.0001 C.ar 1 UNL111111111 -0.0692 7 H -0.1853 2.1603 0.0001 H 1 UNL111111111 0.1708 8 H -2.4712 -0.5376 0.8912 H 1 UNL111111111 0.1701 9 H -2.4714 -0.5304 -0.8957 H 1 UNL111111111 0.1700 10 H -2.5165 1.0270 0.0046 H 1 UNL111111111 0.1557 11 H 2.3965 1.2313 0.0000 H 1 UNL111111111 0.1728 12 H 2.1527 -1.4863 -0.0001 H 1 UNL111111111 0.1797 @BOND 1 9 4 1 2 4 1 1 3 4 10 1 4 4 8 1 5 6 12 1 6 6 5 ar 7 6 2 ar 8 3 5 ar 9 3 7 1 10 3 1 ar 11 5 11 1 12 2 1 ar