@MOLECULE diphenyl oxalate 28 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.0124 -0.2202 0.8266 C.ar 1 UNL111111111 -0.0227 2 C 5.4302 0.6952 -0.1401 C.ar 1 UNL111111111 -0.3100 3 C 4.4977 1.3638 -0.9345 C.ar 1 UNL111111111 -0.0578 4 C 3.1351 1.1224 -0.7715 C.ar 1 UNL111111111 -0.4289 5 C 2.7520 0.2056 0.2028 C.ar 1 UNL111111111 0.2994 6 C 3.6557 -0.4800 1.0089 C.ar 1 UNL111111111 -0.3643 7 O 1.3960 0.0506 0.4683 O.3 1 UNL111111111 -0.1358 8 C 0.7208 -0.8748 -0.2552 C.2 1 UNL111111111 0.2052 9 C -0.7211 -0.8735 0.2466 C.2 1 UNL111111111 0.1850 10 O -1.3967 0.0537 -0.4741 O.3 1 UNL111111111 -0.1582 11 C -2.7525 0.2071 -0.2049 C.ar 1 UNL111111111 0.2811 12 C -3.6562 -0.4446 -1.0387 C.ar 1 UNL111111111 -0.3880 13 C -5.0127 -0.1880 -0.8498 C.ar 1 UNL111111111 -0.0447 14 C -5.4296 0.6914 0.1503 C.ar 1 UNL111111111 -0.3033 15 C -4.4971 1.3256 0.9723 C.ar 1 UNL111111111 -0.0228 16 C -3.1348 1.0866 0.8033 C.ar 1 UNL111111111 -0.4083 17 O -1.1729 -1.5770 1.0975 O.2 1 UNL111111111 -0.1510 18 O 1.1736 -1.5777 -1.1059 O.2 1 UNL111111111 -0.2169 19 H 5.7494 -0.7372 1.4400 H 1 UNL111111111 0.1822 20 H 6.4929 0.8881 -0.2770 H 1 UNL111111111 0.2003 21 H 4.8349 2.0758 -1.6868 H 1 UNL111111111 0.1559 22 H 2.3912 1.6311 -1.3802 H 1 UNL111111111 0.2371 23 H 3.3080 -1.1899 1.7557 H 1 UNL111111111 0.2479 24 H -3.3087 -1.1266 -1.8112 H 1 UNL111111111 0.2353 25 H -5.7496 -0.6788 -1.4843 H 1 UNL111111111 0.1698 26 H -6.4920 0.8825 0.2922 H 1 UNL111111111 0.1998 27 H -4.8342 2.0083 1.7514 H 1 UNL111111111 0.1665 28 H -2.3909 1.5677 1.4340 H 1 UNL111111111 0.2472 @BOND 1 24 12 1 2 21 3 1 3 25 13 1 4 22 4 1 5 18 8 2 6 12 13 ar 7 12 11 ar 8 3 4 ar 9 3 2 ar 10 13 14 ar 11 4 5 ar 12 10 11 1 13 10 9 1 14 20 2 1 15 8 9 1 16 8 7 1 17 11 16 ar 18 2 1 ar 19 14 26 1 20 14 15 ar 21 5 7 1 22 5 6 ar 23 9 17 2 24 16 15 ar 25 16 28 1 26 1 6 ar 27 1 19 1 28 15 27 1 29 6 23 1