@MOLECULE diethyl malonate 23 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.6368 -1.8109 0.1913 C.3 1 UNL1 -0.4632 2 C -3.2605 -0.3704 -0.1102 C.3 1 UNL1 0.0097 3 O -1.9405 -0.2343 0.4468 O.3 1 UNL1 -0.4184 4 C -1.2978 0.9217 0.1789 C.2 1 UNL1 0.6210 5 C 0.0932 0.8611 0.7503 C.3 1 UNL1 -0.4381 6 C 1.0221 0.1565 -0.1945 C.2 1 UNL1 0.6187 7 O 2.2481 0.0869 0.3766 O.3 1 UNL1 -0.4326 8 C 3.2709 -0.5601 -0.4019 C.3 1 UNL1 0.0141 9 C 4.5052 -0.4851 0.4797 C.3 1 UNL1 -0.4647 10 O -1.8017 1.8513 -0.3920 O.2 1 UNL1 -0.4856 11 O 0.7792 -0.2892 -1.2833 O.2 1 UNL1 -0.4827 12 H -4.6328 -2.0488 -0.1990 H 1 UNL1 0.1546 13 H -2.9202 -2.5111 -0.2611 H 1 UNL1 0.1645 14 H -3.6381 -2.0095 1.2707 H 1 UNL1 0.1577 15 H -3.9167 0.3647 0.3866 H 1 UNL1 0.1315 16 H -3.2149 -0.1558 -1.1934 H 1 UNL1 0.1410 17 H 0.0940 0.3461 1.7409 H 1 UNL1 0.2116 18 H 0.4635 1.8954 0.9520 H 1 UNL1 0.2138 19 H 3.3843 -0.0113 -1.3536 H 1 UNL1 0.1363 20 H 2.9476 -1.5958 -0.6083 H 1 UNL1 0.1353 21 H 5.3688 -0.9502 -0.0098 H 1 UNL1 0.1553 22 H 4.7689 0.5553 0.7125 H 1 UNL1 0.1605 23 H 4.3452 -0.9954 1.4388 H 1 UNL1 0.1598 @BOND 1 19 8 1 2 11 6 2 3 16 2 1 4 20 8 1 5 8 7 1 6 8 9 1 7 10 4 2 8 13 1 1 9 12 1 1 10 6 7 1 11 6 5 1 12 2 1 1 13 2 15 1 14 2 3 1 15 21 9 1 16 4 3 1 17 4 5 1 18 1 14 1 19 9 22 1 20 9 23 1 21 5 18 1 22 5 17 1