@MOLECULE 1-{4-[2-(methylamino)propyl]phenyl}ethanone 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2213 -1.2292 0.3250 O.2 1 UNL111111111 -0.3043 2 N 4.2282 -0.0729 -0.2723 N.3 1 UNL111111111 -0.6927 3 C 2.8260 -0.0635 0.2011 C.3 1 UNL111111111 0.4803 4 C 1.9445 0.0501 -1.0699 C.3 1 UNL111111111 -1.0588 5 C 0.4922 0.0038 -0.7250 C.ar 1 UNL111111111 0.5642 6 C 2.5222 1.0807 1.1814 C.3 1 UNL111111111 -1.0833 7 C -0.2778 1.1698 -0.7835 C.ar 1 UNL111111111 -0.4995 8 C -0.1050 -1.2012 -0.3455 C.ar 1 UNL111111111 -0.4302 9 C -2.2238 -0.0686 -0.0717 C.ar 1 UNL111111111 -0.0995 10 C -1.6293 1.1340 -0.4573 C.ar 1 UNL111111111 -0.1159 11 C -1.4580 -1.2370 -0.0233 C.ar 1 UNL111111111 -0.1418 12 C 5.1704 -0.5998 0.7328 C.3 1 UNL111111111 -0.5604 13 C -3.6612 -0.1588 0.2813 C.2 1 UNL111111111 0.4136 14 C -4.4045 1.1070 0.5966 C.3 1 UNL111111111 -0.8710 15 H 2.6164 -1.0447 0.7007 H 1 UNL111111111 0.1669 16 H 2.2117 -0.7783 -1.7623 H 1 UNL111111111 0.3119 17 H 2.2044 0.9727 -1.6251 H 1 UNL111111111 0.3093 18 H 1.4769 1.0460 1.5123 H 1 UNL111111111 0.3069 19 H 2.6844 2.0610 0.7240 H 1 UNL111111111 0.2933 20 H 3.1495 1.0187 2.0761 H 1 UNL111111111 0.2928 21 H 4.5137 0.8553 -0.5815 H 1 UNL111111111 0.3821 22 H 0.1816 2.1091 -1.0848 H 1 UNL111111111 0.2389 23 H 0.4881 -2.1130 -0.3070 H 1 UNL111111111 0.2595 24 H -2.2178 2.0491 -0.5098 H 1 UNL111111111 0.1806 25 H -1.9329 -2.1792 0.2652 H 1 UNL111111111 0.2312 26 H 6.1823 -0.6127 0.2931 H 1 UNL111111111 0.2259 27 H 4.9057 -1.6443 0.9694 H 1 UNL111111111 0.2309 28 H 5.2047 -0.0285 1.6716 H 1 UNL111111111 0.1971 29 H -4.5618 1.7111 -0.3067 H 1 UNL111111111 0.2440 30 H -3.8720 1.7230 1.3318 H 1 UNL111111111 0.2738 31 H -5.4006 0.8839 1.0107 H 1 UNL111111111 0.2543 @BOND 1 1 13 2 2 2 3 1 3 2 12 1 4 2 21 1 5 3 4 1 6 3 6 1 7 3 15 1 8 4 5 1 9 4 16 1 10 4 17 1 11 5 7 ar 12 5 8 ar 13 6 18 1 14 6 19 1 15 6 20 1 16 7 10 ar 17 7 22 1 18 8 11 ar 19 8 23 1 20 9 10 ar 21 9 11 ar 22 9 13 1 23 10 24 1 24 11 25 1 25 12 26 1 26 12 27 1 27 12 28 1 28 13 14 1 29 14 29 1 30 14 30 1 31 14 31 1