@MOLECULE 9-(4-hydroxy-2-buten-1-yl)guanine 27 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.7512 -0.9602 0.5471 O.2 1 UNL1 -0.3616 2 O 3.4690 -1.5957 0.3094 O.3 1 UNL1 -0.5337 3 N -0.1741 1.8626 -0.3712 N.ar 1 UNL1 -0.3219 4 N 0.1339 -0.6012 -0.7424 N.ar 1 UNL1 -0.5296 5 N -2.3256 1.7939 0.3500 N.ar 1 UNL1 -0.2640 6 N -1.7461 -1.9063 0.0349 N.ar 1 UNL1 -0.5994 7 N 0.3426 -2.9297 -0.3825 N.pl3 1 UNL1 -0.6171 8 C -0.5688 0.5328 -0.3668 C.ar 1 UNL1 0.2160 9 C 1.1955 2.3419 -0.5281 C.3 1 UNL1 -0.0824 10 C -1.9114 0.5023 0.0822 C.ar 1 UNL1 -0.1670 11 C -1.2943 2.5997 0.0989 C.ar 1 UNL1 0.0723 12 C -2.6036 -0.7782 0.2544 C.ar 1 UNL1 0.6157 13 C 2.0934 1.5347 0.3708 C.2 1 UNL1 -0.1954 14 C -0.5108 -1.8116 -0.3572 C.ar 1 UNL1 0.5571 15 C 2.9991 0.6806 -0.1066 C.2 1 UNL1 -0.1945 16 C 3.7468 -0.2843 0.7641 C.3 1 UNL1 -0.0075 17 H 1.2430 3.4278 -0.2683 H 1 UNL1 0.1708 18 H 1.4916 2.2677 -1.6040 H 1 UNL1 0.1636 19 H -1.2774 3.6704 0.1967 H 1 UNL1 0.1947 20 H 1.1288 -0.5622 -0.9223 H 1 UNL1 0.3290 21 H 1.8994 1.6570 1.4374 H 1 UNL1 0.1706 22 H 3.2229 0.5808 -1.1705 H 1 UNL1 0.1634 23 H 0.8901 -3.0640 -1.2190 H 1 UNL1 0.2940 24 H -0.1059 -3.7928 -0.0785 H 1 UNL1 0.3194 25 H 3.5006 -0.2030 1.8384 H 1 UNL1 0.1303 26 H 4.8461 -0.2010 0.6389 H 1 UNL1 0.1570 27 H 2.5320 -1.8343 0.4762 H 1 UNL1 0.3201 @BOND 1 18 9 1 2 23 7 1 3 22 15 1 4 20 4 1 5 4 8 ar 6 4 14 ar 7 9 3 1 8 9 17 1 9 9 13 1 10 7 14 1 11 7 24 1 12 3 8 ar 13 3 11 ar 14 8 10 ar 15 14 6 ar 16 15 13 2 17 15 16 1 18 6 12 ar 19 10 12 ar 20 10 5 ar 21 11 19 1 22 11 5 ar 23 12 1 2 24 2 27 1 25 2 16 1 26 13 21 1 27 26 16 1 28 16 25 1