@MOLECULE 5,6-trimethyleneuracil 19 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.3495 -2.6134 0.0049 O.2 1 UNL1 -0.4700 2 O 2.9432 1.1189 0.0431 O.2 1 UNL1 -0.4953 3 N 0.6916 1.4316 -0.0308 N.ar 1 UNL1 -0.5350 4 N 1.6462 -0.7743 0.0212 N.ar 1 UNL1 -0.6270 5 C -2.9088 0.5219 0.1917 C.3 1 UNL1 -0.2521 6 C -1.8515 1.6298 -0.0801 C.3 1 UNL1 -0.2985 7 C -2.1969 -0.8376 -0.0750 C.3 1 UNL1 -0.2139 8 C -0.5602 0.8663 -0.0519 C.ar 1 UNL1 0.2684 9 C -0.7454 -0.4858 -0.0485 C.ar 1 UNL1 -0.3068 10 C 0.3610 -1.4072 -0.0080 C.ar 1 UNL1 0.6186 11 C 1.8471 0.6039 0.0153 C.ar 1 UNL1 0.6990 12 H -3.7994 0.6464 -0.4376 H 1 UNL1 0.1416 13 H -3.2498 0.5733 1.2417 H 1 UNL1 0.1449 14 H -1.8990 2.4386 0.6675 H 1 UNL1 0.1600 15 H -2.0141 2.1015 -1.0693 H 1 UNL1 0.1666 16 H -2.4890 -1.2582 -1.0569 H 1 UNL1 0.1536 17 H -2.4621 -1.6023 0.6740 H 1 UNL1 0.1578 18 H 0.8322 2.4348 -0.0325 H 1 UNL1 0.3391 19 H 2.4783 -1.3682 0.0585 H 1 UNL1 0.3489 @BOND 1 15 6 1 2 16 7 1 3 12 5 1 4 6 8 1 5 6 5 1 6 6 14 1 7 7 9 1 8 7 5 1 9 7 17 1 10 8 9 ar 11 8 3 ar 12 9 10 ar 13 18 3 1 14 3 11 ar 15 10 1 2 16 10 4 ar 17 11 4 ar 18 11 2 2 19 4 19 1 20 5 13 1