@MOLECULE benzoyl benzoate 27 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.0023 0.5007 0.0008 O.3 1 UNL1 -0.1589 2 O 1.2982 2.3546 0.0254 O.2 1 UNL1 -0.2644 3 O -1.3047 2.3595 -0.0266 O.2 1 UNL1 -0.2774 4 C 2.3030 0.1776 0.0748 C.ar 1 UNL1 0.0366 5 C -2.3036 0.1825 -0.0741 C.ar 1 UNL1 0.0288 6 C 3.5179 0.5616 -0.4999 C.ar 1 UNL1 -0.2456 7 C -3.5195 0.5557 0.5058 C.ar 1 UNL1 -0.2024 8 C 2.1557 -1.0739 0.6681 C.ar 1 UNL1 -0.1085 9 C -2.1534 -1.0679 -0.6729 C.ar 1 UNL1 -0.1282 10 C 1.2059 1.1632 0.0381 C.2 1 UNL1 0.2118 11 C -1.2085 1.1688 -0.0403 C.2 1 UNL1 0.2183 12 C 4.5862 -0.3295 -0.4934 C.ar 1 UNL1 -0.1879 13 C -4.5862 -0.3383 0.4986 C.ar 1 UNL1 -0.1891 14 C 3.2339 -1.9579 0.6764 C.ar 1 UNL1 -0.2041 15 C -3.2269 -1.9574 -0.6807 C.ar 1 UNL1 -0.2154 16 C 4.4443 -1.5876 0.0932 C.ar 1 UNL1 -0.1384 17 C -4.4387 -1.5929 -0.0935 C.ar 1 UNL1 -0.1361 18 H 3.6256 1.5548 -0.9421 H 1 UNL1 0.2119 19 H -3.6247 1.5454 0.9567 H 1 UNL1 0.2166 20 H 1.2069 -1.3547 1.1304 H 1 UNL1 0.1950 21 H -1.2040 -1.3449 -1.1344 H 1 UNL1 0.1707 22 H 5.5324 -0.0415 -0.9455 H 1 UNL1 0.1809 23 H -5.5352 -0.0566 0.9525 H 1 UNL1 0.1913 24 H 3.1304 -2.9375 1.1401 H 1 UNL1 0.2082 25 H -3.1185 -2.9344 -1.1478 H 1 UNL1 0.2022 26 H 5.2852 -2.2806 0.0967 H 1 UNL1 0.1926 27 H -5.2771 -2.2885 -0.1022 H 1 UNL1 0.1917 @BOND 1 25 15 1 2 21 9 1 3 22 12 1 4 18 6 1 5 15 9 ar 6 15 17 ar 7 9 5 ar 8 6 12 ar 9 6 4 ar 10 12 16 ar 11 27 17 1 12 17 13 ar 13 5 11 1 14 5 7 ar 15 11 3 2 16 11 1 1 17 1 10 1 18 2 10 2 19 10 4 1 20 4 8 ar 21 16 26 1 22 16 14 ar 23 13 7 ar 24 13 23 1 25 7 19 1 26 8 14 ar 27 8 20 1 28 14 24 1