@MOLECULE minoxidil 15 15 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 2.9126 -0.7684 0.8371 N.pl3 1 UNL1 0.0715 2 C 2.2428 -0.6399 -0.5206 C.cat 1 UNL1 0.1794 3 N 0.8657 -0.8455 -0.3990 N.pl3 1 UNL1 -0.3114 4 C -0.0008 0.1302 -0.1719 C.2 1 UNL1 0.3820 5 C 0.4235 2.7844 0.1030 C.1 1 UNL1 0.1287 6 C 0.2401 1.4703 -0.0352 C.3 1 UNL1 -0.0183 7 N -1.3747 -0.2739 -0.0632 N.pl3 1 UNL1 -0.3001 8 O 3.6214 -1.6678 1.0424 O.2 1 UNL1 0.0531 9 N 2.9632 -0.4203 -1.5246 N.pl3 1 UNL1 -0.2185 10 N 0.5961 3.9390 0.2203 N.1 1 UNL1 -0.1215 11 C -2.3155 0.7831 0.1377 C.3 1 UNL1 0.1950 12 C -1.7693 -1.5826 -0.1464 C.2 1 UNL1 0.1911 13 C -3.0341 -1.9309 -0.0446 C.2 1 UNL1 -0.1342 14 C -3.6124 0.2785 0.2279 C.2 1 UNL1 -0.2235 15 C -3.9520 -0.9733 0.1455 C.2 1 UNL1 0.1267 @BOND 1 9 2 2 2 2 3 1 3 2 1 1 4 3 4 2 5 4 7 1 6 4 6 1 7 12 7 1 8 12 13 2 9 7 11 1 10 13 15 1 11 6 5 1 12 5 10 3 13 11 14 1 14 15 14 2 15 1 8 2