@MOLECULE 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-2h-benzo[g]pteridin-3-id-10(4h)-yl)-d-ribitol 27 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.6854 0.8599 -0.0529 C.2 1 UNL1 0.3479 2 C 1.2878 -0.4369 -0.3246 C.2 1 UNL1 0.0296 3 C -1.4850 -0.1776 -0.5551 C.2 1 UNL1 0.2591 4 C -0.7633 -1.4249 -0.7673 C.3 1 UNL1 0.0300 5 C -2.8753 -0.1953 -0.7438 C.2 1 UNL1 -0.4267 6 C -1.5525 -2.5183 -1.1188 C.2 1 UNL1 -0.1766 7 C -2.9442 -2.5114 -1.2860 C.2 1 UNL1 -0.2899 8 C -3.6216 -1.3303 -1.0995 C.3 1 UNL1 -0.0549 9 C 4.5005 0.1269 -1.8675 C.1 1 UNL1 0.6441 10 N 0.6064 -1.4990 -0.6476 N.2 1 UNL1 -0.1917 11 N 1.1767 2.0173 0.3036 N.am 1 UNL1 -0.4517 12 C 2.7899 -0.5443 -0.2512 C.2 1 UNL1 0.7047 13 O 3.4177 -0.9431 0.6885 O.2 1 UNL1 -0.4092 14 O 5.4365 0.4145 -2.4957 O.2 1 UNL1 -0.2603 15 N 3.3589 -0.1033 -1.4452 N.am 1 UNL1 -0.6024 16 N -0.7537 0.9034 -0.2006 N.pl3 1 UNL1 -0.2270 17 C -1.1622 2.2261 0.0780 C.2 1 UNL1 -0.4120 18 C 0.1125 2.9745 0.4225 C.2 1 UNL1 0.6283 19 C -2.3845 2.7528 0.0484 C.1 1 UNL1 0.5490 20 O 0.2070 4.1219 0.7287 O.2 1 UNL1 -0.3753 21 C -2.0126 -1.5587 3.0422 C.2 1 UNL1 0.5067 22 O -3.4129 3.2614 0.0506 O.2 1 UNL1 -0.0976 23 C 2.3105 -1.2153 2.9703 C.2 2 UNL2 0.4463 24 O -2.2647 -1.2562 1.9690 O.2 1 UNL1 -0.5066 25 O 3.0411 -1.6530 3.7288 O.2 2 UNL2 -0.4496 26 C -4.3041 -0.0647 -0.9024 C.3 1 UNL1 0.3794 27 C -2.2567 -3.7556 -1.4925 C.3 1 UNL1 0.4067 @BOND 1 14 9 2 2 9 15 2 3 27 7 1 4 27 6 1 5 15 12 1 6 7 6 2 7 7 8 1 8 6 4 1 9 8 26 1 10 8 5 1 11 26 5 1 12 4 10 1 13 4 3 1 14 5 3 2 15 10 2 2 16 3 16 1 17 2 12 1 18 2 1 1 19 12 13 2 20 16 1 1 21 16 17 1 22 1 11 2 23 19 22 2 24 19 17 2 25 17 18 1 26 11 18 1 27 18 20 2 28 24 21 2 29 23 25 2