@MOLECULE thymine 15 15 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.1744 0.5701 -0.0004 C.ar 1 UNL1 -0.2193 2 C -0.7664 -0.8337 -0.0007 C.ar 1 UNL1 0.6035 3 C -0.2413 1.5553 -0.0012 C.ar 1 UNL1 0.1002 4 N 1.1150 1.2684 -0.0010 N.ar 1 UNL1 -0.5301 5 C 1.5978 -0.0581 0.0002 C.ar 1 UNL1 0.6955 6 N 0.6369 -1.0674 -0.0005 N.ar 1 UNL1 -0.6217 7 O -1.4798 -1.8085 -0.0006 O.2 1 UNL1 -0.4708 8 C -2.6300 0.8551 0.0019 C.3 1 UNL1 -0.4144 9 H -0.5032 2.6204 -0.0015 H 1 UNL1 0.1725 10 H 1.8046 2.0142 -0.0013 H 1 UNL1 0.3386 11 O 2.7901 -0.2742 0.0016 O.2 1 UNL1 -0.4963 12 H 0.9683 -2.0361 0.0006 H 1 UNL1 0.3483 13 H -3.2333 -0.0716 0.0020 H 1 UNL1 0.1817 14 H -2.9369 1.4240 0.8921 H 1 UNL1 0.1562 15 H -2.9400 1.4263 -0.8852 H 1 UNL1 0.1562 @BOND 1 15 8 1 2 9 3 1 3 10 4 1 4 3 4 ar 5 3 1 ar 6 4 5 ar 7 2 7 2 8 2 6 ar 9 2 1 ar 10 6 5 ar 11 6 12 1 12 1 8 1 13 5 11 2 14 8 13 1 15 8 14 1