@MOLECULE 5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-1-o-thiophosphono-d-ribitol 52 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 7.2670 -0.1469 -0.4706 S.3 1 UNL1 0.0252 2 P 5.5442 0.4693 -0.1283 P.3 1 UNL1 0.2881 3 O 0.1954 1.8871 -1.0574 O.3 1 UNL1 -0.5851 4 O 2.2384 1.5994 0.5768 O.3 1 UNL1 -0.5983 5 O 2.0426 -1.8903 -0.1533 O.3 1 UNL1 -0.5739 6 O 4.5655 -0.7309 0.3313 O.3 1 UNL1 -0.3822 7 O -6.5416 1.6503 -0.1994 O.2 1 UNL1 -0.3969 8 O -3.1276 4.6213 -0.0030 O.2 1 UNL1 -0.4186 9 O 5.3684 1.6014 0.9878 O.3 1 UNL1 -0.3961 10 O 4.7882 1.0570 -1.4077 O.3 1 UNL1 -0.4009 11 N -2.0013 0.1623 0.4229 N.ar 1 UNL1 -0.3060 12 N -4.7012 -0.5118 -0.0801 N.ar 1 UNL1 -0.1662 13 N -2.5325 2.4141 0.1647 N.ar 1 UNL1 -0.6377 14 N -4.8334 3.1238 -0.0886 N.ar 1 UNL1 -0.6724 15 C 0.2762 0.6091 -0.4615 C.3 1 UNL1 0.0872 16 C 1.7895 0.4747 -0.1547 C.3 1 UNL1 0.0894 17 C -0.6227 0.5322 0.7869 C.3 1 UNL1 -0.1505 18 C 2.1584 -0.7644 0.6844 C.3 1 UNL1 0.0833 19 C -2.3573 -1.1750 0.2269 C.ar 1 UNL1 0.1758 20 C -2.9361 1.1607 0.2011 C.ar 1 UNL1 0.3856 21 C -3.7255 -1.4871 -0.0075 C.ar 1 UNL1 -0.0274 22 C 3.5555 -0.6952 1.3286 C.3 1 UNL1 -0.0465 23 C -1.4112 -2.2159 0.2389 C.ar 1 UNL1 -0.2869 24 C -4.3354 0.7303 0.0093 C.ar 1 UNL1 -0.0727 25 C -1.8064 -3.5269 0.0347 C.ar 1 UNL1 0.1285 26 C -4.1135 -2.8341 -0.1928 C.ar 1 UNL1 -0.0731 27 C -3.1748 -3.8439 -0.1745 C.ar 1 UNL1 -0.0439 28 C -5.3545 1.8213 -0.1013 C.ar 1 UNL1 0.5883 29 C -0.7749 -4.5991 0.0233 C.3 1 UNL1 -0.4632 30 C -3.5943 -5.2557 -0.3941 C.3 1 UNL1 -0.4384 31 C -3.4524 3.4628 0.0266 C.ar 1 UNL1 0.7199 32 H -0.0289 -0.1365 -1.2339 H 1 UNL1 0.1531 33 H 2.3274 0.4650 -1.1369 H 1 UNL1 0.1502 34 H -0.2399 -0.1935 1.5406 H 1 UNL1 0.1666 35 H -0.6268 1.5277 1.3109 H 1 UNL1 0.2066 36 H 1.4080 -0.9635 1.4863 H 1 UNL1 0.1369 37 H 3.6054 0.1344 2.0613 H 1 UNL1 0.1435 38 H 3.7641 -1.6494 1.8711 H 1 UNL1 0.1451 39 H -0.3482 -2.0013 0.3761 H 1 UNL1 0.1946 40 H -0.6686 2.3292 -0.8552 H 1 UNL1 0.3723 41 H -5.1761 -3.0422 -0.3602 H 1 UNL1 0.1887 42 H 1.7147 2.3945 0.2994 H 1 UNL1 0.3618 43 H 2.8666 -2.0039 -0.6846 H 1 UNL1 0.3502 44 H 0.2520 -4.2047 0.1038 H 1 UNL1 0.1772 45 H -0.9145 -5.3031 0.8581 H 1 UNL1 0.1671 46 H -0.8122 -5.1883 -0.9066 H 1 UNL1 0.1696 47 H -4.6851 -5.3672 -0.4740 H 1 UNL1 0.1612 48 H -3.1613 -5.6625 -1.3215 H 1 UNL1 0.1630 49 H -3.2723 -5.9100 0.4303 H 1 UNL1 0.1606 50 H -5.4974 3.8979 -0.1927 H 1 UNL1 0.3479 51 H 4.3900 1.8943 1.0563 H 1 UNL1 0.3300 52 H 3.8775 1.4473 -1.1776 H 1 UNL1 0.3195 @BOND 1 10 52 1 2 10 2 1 3 48 30 1 4 32 15 1 5 33 16 1 6 3 40 1 7 3 15 1 8 46 29 1 9 43 5 1 10 47 30 1 11 1 2 1 12 15 16 1 13 15 17 1 14 30 27 1 15 30 49 1 16 41 26 1 17 7 28 2 18 26 27 ar 19 26 21 ar 20 50 14 1 21 27 25 ar 22 16 4 1 23 16 18 1 24 5 18 1 25 2 6 1 26 2 9 1 27 28 14 ar 28 28 24 ar 29 14 31 ar 30 12 21 ar 31 12 24 ar 32 21 19 ar 33 8 31 2 34 24 20 ar 35 29 25 1 36 29 44 1 37 29 45 1 38 31 13 ar 39 25 23 ar 40 13 20 ar 41 20 11 ar 42 19 23 ar 43 19 11 ar 44 23 39 1 45 42 4 1 46 6 22 1 47 11 17 1 48 18 22 1 49 18 36 1 50 17 35 1 51 17 34 1 52 9 51 1 53 22 38 1 54 22 37 1