@MOLECULE diethylcyanamide 17 16 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.4926 -0.0191 -0.0731 C.1 1 UNL1 0.2294 2 N -0.1421 -0.0057 0.0519 N.pl3 1 UNL1 -0.3916 3 N -2.6335 -0.0266 -0.2987 N.1 1 UNL1 -0.3102 4 C 0.4151 1.2605 0.5878 C.3 1 UNL1 -0.0606 5 C 0.4442 -1.2651 0.5751 C.3 1 UNL1 -0.0601 6 C 1.4233 1.8180 -0.4211 C.3 1 UNL1 -0.4471 7 H -0.3989 2.0049 0.7536 H 1 UNL1 0.1453 8 H 0.8999 1.0969 1.5742 H 1 UNL1 0.1317 9 H 1.8017 2.7952 -0.1028 H 1 UNL1 0.1493 10 H 2.2800 1.1466 -0.5497 H 1 UNL1 0.1526 11 H 0.9640 1.9395 -1.4121 H 1 UNL1 0.1646 12 C 1.4918 -1.7688 -0.4218 C.3 1 UNL1 -0.4471 13 H 0.9021 -1.1067 1.5756 H 1 UNL1 0.1313 14 H -0.3491 -2.0368 0.7069 H 1 UNL1 0.1456 15 H 1.8941 -2.7399 -0.1141 H 1 UNL1 0.1494 16 H 1.0581 -1.8847 -1.4249 H 1 UNL1 0.1647 17 H 2.3294 -1.0686 -0.5177 H 1 UNL1 0.1525 @BOND 1 16 12 1 2 11 6 1 3 10 6 1 4 17 12 1 5 12 15 1 6 12 5 1 7 6 9 1 8 6 4 1 9 3 1 3 10 1 2 1 11 2 5 1 12 2 4 1 13 5 14 1 14 5 13 1 15 4 7 1 16 4 8 1