@MOLECULE 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-6-thioxo-1,3,4,6-tetrahydrobenzo[g]pteridin-10(2h)-yl)pentitol 28 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -2.6898 -1.4599 2.4168 S.2 1 UNL1 -0.0066 2 O 1.7861 -1.1735 -0.4084 O.2 1 UNL1 -0.6151 3 O 1.2680 0.7771 -2.5415 O.2 2 UNL2 -0.6089 4 O -0.9942 -1.9926 -1.3682 O.2 3 UNL3 -0.5047 5 O 4.9020 -4.7380 -0.6716 O.2 4 UNL4 -0.4469 6 O 2.2876 -0.1881 2.1997 O.2 1 UNL1 -0.4484 7 O 2.9864 4.0979 0.7265 O.2 1 UNL1 -0.3679 8 N -0.6236 1.7515 -1.0446 N.pl3 1 UNL1 -0.5095 9 N 1.2546 2.9016 -0.1904 N.2 1 UNL1 -0.5049 10 N -0.4335 0.0742 1.2887 N.2 1 UNL1 -0.2778 11 N 2.6879 1.9747 1.5766 N.am 1 UNL1 -0.7028 12 C 2.3323 -1.8204 0.3771 C.2 1 UNL1 0.6156 13 C -0.5069 2.2543 -2.2482 C.3 1 UNL1 0.8938 14 C 2.1799 0.0761 -2.4853 C.2 2 UNL2 0.6172 15 C -1.7004 0.9115 -0.6189 C.2 1 UNL1 0.1016 16 C -0.1267 -2.6903 -1.1085 C.2 3 UNL3 0.4999 17 C 0.4719 1.9215 -0.0500 C.3 1 UNL1 0.2792 18 C -1.6196 0.1491 0.5326 C.3 1 UNL1 0.1193 19 C 0.5234 0.8723 0.9936 C.2 1 UNL1 0.0141 20 C -2.8745 0.8068 -1.3878 C.2 1 UNL1 -0.3635 21 C -3.9326 0.0093 -0.9944 C.2 1 UNL1 -0.0890 22 C 4.1434 -3.8904 -0.6113 C.2 4 UNL4 0.4482 23 C -2.7465 -0.6697 1.0180 C.2 1 UNL1 0.0476 24 C -3.9533 -0.7429 0.1897 C.2 1 UNL1 -0.5406 25 C 1.9605 0.8529 1.6902 C.2 1 UNL1 0.6449 26 C 2.4192 3.0497 0.8044 C.1 1 UNL1 0.7099 27 C -4.0216 0.7571 -2.2386 C.3 1 UNL1 0.3387 28 C -5.0325 -1.4799 0.5337 C.3 1 UNL1 0.6566 @BOND 1 3 14 2 2 13 8 1 3 27 20 1 4 27 21 1 5 20 21 1 6 20 15 2 7 4 16 2 8 8 15 1 9 8 17 1 10 21 24 2 11 5 22 2 12 15 18 1 13 2 12 2 14 9 17 1 15 9 26 2 16 17 19 1 17 24 28 1 18 24 23 1 19 18 23 1 20 18 10 1 21 7 26 2 22 26 11 am 23 19 10 2 24 19 25 1 25 23 1 2 26 11 25 am 27 25 6 2