@MOLECULE 1-(7-bromo-8-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-1-deoxy-5-o-phosphonopentitol 31 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -6.3419 1.7438 -0.3870 Br 1 UNL1 0.0140 2 P 5.3847 2.6503 -0.7917 P.3 1 UNL1 0.4986 3 O 2.1309 -2.1499 2.8161 O.2 1 UNL1 -0.3638 4 O 2.8894 0.7449 3.0431 O.2 1 UNL1 -0.3291 5 O 1.4313 0.5921 0.0544 O.2 1 UNL1 -0.4430 6 O 4.0690 1.9999 -0.1430 O.3 1 UNL1 -0.3433 7 O 0.5730 -6.1376 -0.6132 O.2 1 UNL1 -0.2576 8 O 2.4628 -2.1346 -1.9869 O.2 1 UNL1 -0.3567 9 O 4.9481 3.6995 -1.6510 O.2 1 UNL1 -0.1488 10 O 6.4937 2.6098 0.3052 O.3 1 UNL1 -0.0406 11 O 6.5145 1.5850 -0.9289 O.3 1 UNL1 -0.0302 12 N -0.5641 -1.0846 1.1222 N.pl3 1 UNL1 -0.0871 13 N -1.8439 -0.5833 -1.8142 N.pl3 1 UNL1 0.2763 14 N 0.9712 -2.2542 -0.2238 N.am 1 UNL1 -0.5614 15 N 1.5251 -4.1476 -1.5181 N.am 1 UNL1 -0.5912 16 C 1.5949 -1.1663 2.3712 C.2 1 UNL1 0.3110 17 C 2.3891 0.1274 2.1486 C.2 1 UNL1 0.2632 18 C 0.1873 -0.9691 2.1688 C.3 1 UNL1 -0.0007 19 C 2.4525 0.5924 0.6973 C.2 1 UNL1 0.1918 20 C -1.8621 -0.6453 1.1686 C.1 1 UNL1 -0.0282 21 C -0.0833 -1.5348 -0.2240 C.2 1 UNL1 0.4804 22 C 3.8481 0.7589 0.0918 C.3 1 UNL1 0.3621 23 C -2.9708 -0.0506 -1.8266 C.2 1 UNL1 -0.2494 24 C -0.9710 -1.1290 -1.2313 C.3 1 UNL1 -0.1969 25 C -2.9926 -0.1926 1.2099 C.1 1 UNL1 0.0440 26 C -4.2919 0.3421 1.1257 C.2 1 UNL1 -0.4704 27 C -3.9763 0.4286 -1.2094 C.1 1 UNL1 0.1912 28 C -4.7511 0.7652 -0.2008 C.2 1 UNL1 -0.0822 29 C 0.9902 -5.1003 -0.9413 C.1 1 UNL1 0.6291 30 C -5.0381 0.4454 2.2362 C.2 1 UNL1 0.5464 31 C 1.6994 -2.7745 -1.3237 C.2 1 UNL1 0.7727 @BOND 1 8 31 2 2 23 13 1 3 23 27 2 4 13 24 1 5 9 2 2 6 15 31 1 7 15 29 2 8 31 14 1 9 24 21 1 10 27 28 2 11 29 7 2 12 11 2 1 13 11 10 1 14 2 6 1 15 2 10 1 16 1 28 1 17 21 14 2 18 21 12 1 19 28 26 1 20 6 22 1 21 5 19 2 22 22 19 1 23 19 17 1 24 12 20 1 25 12 18 1 26 26 25 1 27 26 30 2 28 20 25 3 29 17 16 1 30 17 4 2 31 18 16 1 32 16 3 2