@MOLECULE 2,6-diamino-7-(3H-thiophen-1-ium-3-id-4-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidin-3-ium-4-one 29 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 3.9738 -0.7943 -0.1299 S.2 1 UNL1 0.2150 2 O -4.1687 -0.8851 -0.6833 O.2 1 UNL1 -0.4646 3 N -2.4761 1.5945 -0.2434 N.ar 1 UNL1 -0.3014 4 N -0.2679 -1.1122 0.5426 N.ar 1 UNL1 -0.4982 5 N -1.3806 3.7156 0.1162 N.pl3 1 UNL1 -0.6000 6 N -2.3485 -2.1531 -0.1188 N.ar 1 UNL1 -0.6182 7 N -0.5412 -3.4631 0.5951 N.pl3 1 UNL1 -0.6151 8 C -0.2933 1.4442 0.4473 C.ar 1 UNL1 -0.2586 9 C -0.8369 0.1351 0.3370 C.ar 1 UNL1 0.1813 10 C 1.0769 1.8052 0.8657 C.3 1 UNL1 -0.2300 11 C -2.1762 0.2421 -0.0892 C.ar 1 UNL1 -0.2253 12 C -1.3433 2.3218 0.0870 C.ar 1 UNL1 0.2966 13 C 2.0884 0.8944 0.2557 C.ar 1 UNL1 -0.0002 14 C -3.0158 -0.9264 -0.3255 C.ar 1 UNL1 0.6267 15 C -1.1026 -2.2162 0.3013 C.ar 1 UNL1 0.5759 16 C 2.1874 0.7143 -1.1721 C.ar 1 UNL1 -0.1754 17 C 2.9890 0.1419 0.9535 C.ar 1 UNL1 -0.3463 18 C 3.1576 -0.1687 -1.5351 C.ar 1 UNL1 -0.2668 19 H 1.1476 1.7843 1.9801 H 1 UNL1 0.1630 20 H 1.3208 2.8565 0.5882 H 1 UNL1 0.1532 21 H -3.3800 1.9431 -0.4777 H 1 UNL1 0.3317 22 H 0.6697 -1.1897 0.9084 H 1 UNL1 0.3341 23 H -1.9395 4.1706 -0.5837 H 1 UNL1 0.2853 24 H -0.4921 4.1659 0.2560 H 1 UNL1 0.2926 25 H 1.5290 1.2367 -1.8511 H 1 UNL1 0.1720 26 H 3.1243 0.1087 2.0182 H 1 UNL1 0.1798 27 H 3.4264 -0.4719 -2.5310 H 1 UNL1 0.1779 28 H 0.4298 -3.6078 0.3947 H 1 UNL1 0.2935 29 H -1.1324 -4.2592 0.3868 H 1 UNL1 0.3211 @BOND 1 27 18 1 2 25 16 1 3 18 16 ar 4 18 1 ar 5 16 13 ar 6 2 14 2 7 23 5 1 8 21 3 1 9 14 6 ar 10 14 11 ar 11 3 11 ar 12 3 12 ar 13 1 17 ar 14 6 15 ar 15 11 9 ar 16 12 5 1 17 12 8 ar 18 5 24 1 19 13 10 1 20 13 17 ar 21 15 4 ar 22 15 7 1 23 9 8 ar 24 9 4 ar 25 29 7 1 26 28 7 1 27 8 10 1 28 4 22 1 29 20 10 1 30 10 19 1 31 17 26 1