@MOLECULE mono-methyl_terephthalate 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0978 0.8442 0.0004 O.3 1 UNL1111111111 -0.4039 2 O -3.0538 -1.4014 -0.0004 O.2 1 UNL1111111111 -0.4891 3 O 3.8704 -0.9810 0.0010 O.3 1 UNL1111111111 -0.5562 4 O 3.8616 1.2457 -0.0004 O.2 1 UNL1111111111 -0.4921 5 C -0.9912 -0.1752 -0.0001 C.ar 1 UNL1111111111 -0.0956 6 C 1.7674 0.0531 -0.0002 C.ar 1 UNL1111111111 -0.1022 7 C -0.4080 1.0922 0.0000 C.ar 1 UNL1111111111 -0.1114 8 C -0.2034 -1.3289 -0.0003 C.ar 1 UNL1111111111 -0.1149 9 C 0.9798 1.2070 -0.0003 C.ar 1 UNL1111111111 -0.1059 10 C 1.1842 -1.2149 -0.0003 C.ar 1 UNL1111111111 -0.0941 11 C -2.4587 -0.3533 -0.0000 C.2 1 UNL1111111111 0.5853 12 C 3.2319 0.2193 -0.0001 C.2 1 UNL1111111111 0.6329 13 C -4.5222 0.7858 0.0004 C.3 1 UNL1111111111 -0.1665 14 H -1.0329 1.9882 0.0003 H 1 UNL1111111111 0.1773 15 H -0.6802 -2.3137 -0.0005 H 1 UNL1111111111 0.1816 16 H 1.4545 2.1926 -0.0005 H 1 UNL1111111111 0.1804 17 H 1.8103 -2.1114 -0.0003 H 1 UNL1111111111 0.1813 18 H -4.8798 0.2727 0.8998 H 1 UNL1111111111 0.1430 19 H -4.8799 0.2732 -0.8993 H 1 UNL1111111111 0.1430 20 H -4.8094 1.8439 0.0003 H 1 UNL1111111111 0.1478 21 H 4.8569 -0.8989 0.0012 H 1 UNL1111111111 0.3595 @BOND 1 1 11 1 2 1 13 1 3 2 11 2 4 3 12 1 5 3 21 1 6 4 12 2 7 5 7 ar 8 5 8 ar 9 5 11 1 10 6 9 ar 11 6 10 ar 12 6 12 1 13 7 9 ar 14 7 14 1 15 8 10 ar 16 8 15 1 17 9 16 1 18 10 17 1 19 13 18 1 20 13 19 1 21 13 20 1