@MOLECULE amrinone 23 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.0501 -0.6154 0.1286 O.2 1 UNL1 -0.5277 2 N -1.9994 -1.5023 0.3987 N.ar 1 UNL1 -0.4518 3 N -3.0596 1.9171 -0.4394 N.pl3 1 UNL1 -0.5883 4 N 4.2136 0.1734 -0.0233 N.ar 1 UNL1 -0.3772 5 C -0.0313 -0.1864 0.0366 C.ar 1 UNL1 -0.0980 6 C 1.4269 -0.0629 0.0125 C.ar 1 UNL1 0.0838 7 C -0.8338 0.9520 -0.2786 C.ar 1 UNL1 -0.2482 8 C -0.6185 -1.3779 0.3656 C.ar 1 UNL1 0.0008 9 C -2.1975 0.8529 -0.2432 C.ar 1 UNL1 0.1133 10 C -2.8470 -0.4321 0.1019 C.ar 1 UNL1 0.5267 11 C 2.0638 0.9357 0.7547 C.ar 1 UNL1 -0.2509 12 C 2.2033 -0.9397 -0.7505 C.ar 1 UNL1 -0.2593 13 C 3.4598 1.0158 0.7087 C.ar 1 UNL1 0.0572 14 C 3.5942 -0.7830 -0.7396 C.ar 1 UNL1 0.0579 15 H -0.3375 1.8824 -0.5410 H 1 UNL1 0.1726 16 H -0.0446 -2.2722 0.6207 H 1 UNL1 0.1712 17 H -2.4208 -2.3933 0.6440 H 1 UNL1 0.3250 18 H 1.4864 1.6296 1.3600 H 1 UNL1 0.1742 19 H 1.7396 -1.7175 -1.3492 H 1 UNL1 0.1697 20 H 4.0117 1.7755 1.2743 H 1 UNL1 0.1702 21 H 4.2511 -1.4407 -1.3209 H 1 UNL1 0.1698 22 H -2.7279 2.7224 -0.9268 H 1 UNL1 0.2958 23 H -4.0392 1.7121 -0.5329 H 1 UNL1 0.3133 @BOND 1 19 12 1 2 21 14 1 3 22 3 1 4 12 14 ar 5 12 6 ar 6 14 4 ar 7 15 7 1 8 23 3 1 9 3 9 1 10 7 9 ar 11 7 5 ar 12 9 10 ar 13 4 13 ar 14 6 5 1 15 6 11 ar 16 5 8 ar 17 10 1 2 18 10 2 ar 19 8 2 ar 20 8 16 1 21 2 17 1 22 13 11 ar 23 13 20 1 24 11 18 1