@MOLECULE dimethyl phthalate 24 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.4114 0.6379 -0.3551 C.2 1 UNL1 0.5864 2 C -0.6801 -0.6342 -0.1464 C.ar 1 UNL1 -0.0779 3 C 0.6852 -0.6223 0.1435 C.ar 1 UNL1 -0.0805 4 C 1.3941 0.6634 0.3437 C.2 1 UNL1 0.5863 5 C 1.3832 -1.8206 0.2779 C.ar 1 UNL1 -0.1083 6 C 0.7089 -3.0343 0.1382 C.ar 1 UNL1 -0.1298 7 C -0.6584 -3.0433 -0.1309 C.ar 1 UNL1 -0.1287 8 C -1.3574 -1.8450 -0.2741 C.ar 1 UNL1 -0.1101 9 O -1.1090 1.5357 -1.0953 O.2 1 UNL1 -0.4679 10 O -2.5370 0.6432 0.4033 O.3 1 UNL1 -0.3876 11 O 1.0577 1.5753 1.0516 O.2 1 UNL1 -0.4684 12 O 2.5424 0.6662 -0.3803 O.3 1 UNL1 -0.3886 13 C -3.3078 1.8410 0.3473 C.3 1 UNL1 -0.1724 14 C 3.2999 1.8725 -0.3236 C.3 1 UNL1 -0.1721 15 H 2.4543 -1.8071 0.4862 H 1 UNL1 0.1696 16 H 1.2529 -3.9723 0.2402 H 1 UNL1 0.1570 17 H -1.1869 -3.9912 -0.2313 H 1 UNL1 0.1567 18 H -2.4286 -1.8526 -0.4826 H 1 UNL1 0.1696 19 H -4.1446 1.6242 1.0208 H 1 UNL1 0.1459 20 H -3.6502 2.0261 -0.6760 H 1 UNL1 0.1401 21 H -2.7129 2.6868 0.7113 H 1 UNL1 0.1475 22 H 3.6091 2.0794 0.7061 H 1 UNL1 0.1401 23 H 2.7075 2.7050 -0.7208 H 1 UNL1 0.1474 24 H 4.1588 1.6519 -0.9672 H 1 UNL1 0.1458 @BOND 1 9 1 2 2 24 14 1 3 23 14 1 4 20 13 1 5 18 8 1 6 12 14 1 7 12 4 1 8 1 2 1 9 1 10 1 10 14 22 1 11 8 2 ar 12 8 7 ar 13 17 7 1 14 2 3 ar 15 7 6 ar 16 6 16 1 17 6 5 ar 18 3 5 ar 19 3 4 1 20 5 15 1 21 4 11 2 22 13 10 1 23 13 21 1 24 13 19 1