@MOLECULE ethylenediamine 12 11 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.5618 -0.5324 -0.0243 C.3 1 UNL1 -0.1074 2 C 0.5622 0.5330 -0.0247 C.3 1 UNL1 -0.1077 3 N 1.8578 -0.1783 -0.0113 N.3 1 UNL1 -0.6532 4 N -1.8589 0.1766 -0.0134 N.3 1 UNL1 -0.6531 5 H -0.4334 -1.2283 0.8296 H 1 UNL1 0.1115 6 H -0.4846 -1.1429 -0.9511 H 1 UNL1 0.1543 7 H 0.4340 1.2322 0.8260 H 1 UNL1 0.1115 8 H 0.4849 1.1401 -0.9543 H 1 UNL1 0.1540 9 H 2.0790 -0.5455 0.8982 H 1 UNL1 0.2450 10 H 2.6133 0.4086 -0.3205 H 1 UNL1 0.2504 11 H -2.0650 0.5742 0.8870 H 1 UNL1 0.2446 12 H -2.6179 -0.4233 -0.2874 H 1 UNL1 0.2502 @BOND 1 8 2 1 2 6 1 1 3 10 3 1 4 12 4 1 5 2 1 1 6 2 3 1 7 2 7 1 8 1 4 1 9 1 5 1 10 4 11 1 11 3 9 1