@MOLECULE 1,3,7-trimethyldihydrouric acid 25 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.4376 -2.6391 0.0027 O.2 1 UNL1 -0.4712 2 O 3.1942 1.0076 0.0031 O.2 1 UNL1 -0.4990 3 O -3.7590 0.8372 -0.0003 O.2 1 UNL1 -0.4962 4 N 0.9584 1.4336 -0.0045 N.ar 1 UNL1 -0.4354 5 N -1.9439 -0.6593 0.0076 N.ar 1 UNL1 -0.3397 6 N 1.8056 -0.8226 -0.0106 N.ar 1 UNL1 -0.5232 7 N -1.5326 1.5683 -0.0007 N.ar 1 UNL1 -0.5304 8 C -0.5490 -0.4699 0.0014 C.ar 1 UNL1 -0.2313 9 C -0.3099 0.9105 -0.0012 C.ar 1 UNL1 0.3361 10 C 0.5148 -1.4337 -0.0001 C.ar 1 UNL1 0.6231 11 C 2.0723 0.5486 -0.0012 C.ar 1 UNL1 0.7073 12 C -2.5828 0.5743 0.0002 C.ar 1 UNL1 0.6565 13 C 1.1823 2.8790 0.0028 C.3 1 UNL1 -0.2217 14 C -2.5949 -1.9547 -0.0036 C.3 1 UNL1 -0.1966 15 C 2.9666 -1.7284 0.0030 C.3 1 UNL1 -0.2110 16 H -1.6890 2.5533 -0.0036 H 1 UNL1 0.3439 17 H 0.7316 3.3505 -0.8886 H 1 UNL1 0.1533 18 H 2.2719 3.1005 -0.0185 H 1 UNL1 0.1931 19 H 0.7695 3.3368 0.9195 H 1 UNL1 0.1536 20 H -2.2916 -2.5357 -0.8970 H 1 UNL1 0.1623 21 H -3.6947 -1.8286 -0.0125 H 1 UNL1 0.1691 22 H -2.3068 -2.5397 0.8924 H 1 UNL1 0.1627 23 H 3.8993 -1.1915 -0.2490 H 1 UNL1 0.1718 24 H 2.8167 -2.5401 -0.7346 H 1 UNL1 0.1667 25 H 3.0794 -2.1862 1.0024 H 1 UNL1 0.1560 @BOND 1 20 14 1 2 17 13 1 3 24 15 1 4 23 15 1 5 18 13 1 6 21 14 1 7 6 11 ar 8 6 10 ar 9 6 15 1 10 4 9 ar 11 4 11 ar 12 4 13 1 13 16 7 1 14 14 5 1 15 14 22 1 16 9 7 ar 17 9 8 ar 18 11 2 2 19 7 12 ar 20 3 12 2 21 10 8 ar 22 10 1 2 23 12 5 ar 24 8 5 ar 25 13 19 1 26 15 25 1