@MOLECULE diethyl ether 15 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 H -3.2942 0.0288 0.0176 H 1 UNL1 0.1464 2 C -2.3129 -0.4542 0.0009 C.3 1 UNL1 -0.4557 3 H -2.2374 -1.1153 0.8742 H 1 UNL1 0.1580 4 H -2.2574 -1.0965 -0.8875 H 1 UNL1 0.1575 5 C -1.1863 0.5740 0.0003 C.3 1 UNL1 -0.0251 6 H -1.2095 1.2117 -0.9006 H 1 UNL1 0.1105 7 H -1.2075 1.2094 0.9029 H 1 UNL1 0.1104 8 O -0.0000 -0.2100 -0.0027 O.3 1 UNL1 -0.4044 9 C 1.1866 0.5744 0.0002 C.3 1 UNL1 -0.0250 10 H 1.2094 1.2122 -0.9006 H 1 UNL1 0.1105 11 H 1.2069 1.2100 0.9026 H 1 UNL1 0.1105 12 C 2.3127 -0.4543 0.0010 C.3 1 UNL1 -0.4557 13 H 2.2407 -1.1119 0.8773 H 1 UNL1 0.1579 14 H 2.2535 -1.0999 -0.8849 H 1 UNL1 0.1576 15 H 3.2946 0.0274 0.0118 H 1 UNL1 0.1464 @BOND 1 10 9 1 2 6 5 1 3 4 2 1 4 14 12 1 5 8 9 1 6 8 5 1 7 9 12 1 8 9 11 1 9 5 2 1 10 5 7 1 11 2 1 1 12 2 3 1 13 12 15 1 14 12 13 1