@MOLECULE 7,8-dimethyl-10-[(3r,4r)-3,4,5-trihydroxy-5-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}pentyl]benzo[g]pteridine-2,4(3h,10h)-dione 38 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.8503 0.5514 -1.0300 O.3 1 UNL1 -0.2344 2 O -3.1314 0.2389 0.2884 O.2 1 UNL1 -0.4625 3 O -7.1330 0.3202 2.0744 O.2 1 UNL1 -0.2245 4 O -8.3469 -0.1365 -0.5428 O.2 1 UNL1 -0.3360 5 O -4.8713 -1.6683 1.6871 O.2 1 UNL1 -0.2461 6 O -6.6367 0.0255 -3.7750 O.2 1 UNL1 -0.1006 7 O -1.9092 -2.0771 -0.6932 O.2 1 UNL1 -0.4034 8 O -3.1839 3.0513 0.2719 O.2 2 UNL2 -0.4194 9 O -1.3295 0.6702 2.1928 O.3 2 UNL2 -0.0764 10 O 7.5161 1.7929 -1.1632 O.2 2 UNL2 -0.3675 11 O 4.0903 4.4909 0.2677 O.2 2 UNL2 -0.3964 12 N 3.2662 -0.0738 0.3512 N.ar 2 UNL2 -0.3111 13 N 5.9489 -0.4987 -0.5897 N.ar 2 UNL2 -0.2681 14 N 3.7188 2.2307 0.2783 N.2 2 UNL2 -0.5049 15 N 5.8545 3.1964 -0.4532 N.am 2 UNL2 -0.6914 16 C -6.6030 -0.0844 1.0879 C.2 1 UNL1 0.2547 17 C -7.1730 -0.0038 -0.3242 C.2 1 UNL1 0.3938 18 C -5.2214 -0.7120 1.0670 C.2 1 UNL1 0.2366 19 C -6.1517 0.1710 -1.3356 C.2 1 UNL1 -0.3333 20 C -4.2966 0.0140 0.0981 C.2 1 UNL1 0.5036 21 C -6.4012 0.0898 -2.6540 C.1 1 UNL1 0.5529 22 C -1.2816 -1.4649 0.0308 C.2 1 UNL1 0.4057 23 C -2.1472 2.6417 0.5043 C.2 2 UNL2 0.4171 24 C -0.3009 0.4963 1.7235 C.1 2 UNL2 0.6899 25 C 0.9082 0.2979 1.2409 C.1 2 UNL2 -0.4575 26 C 2.0543 0.1170 0.7971 C.3 2 UNL2 0.5613 27 C 3.7546 -1.3928 0.1560 C.ar 2 UNL2 0.1153 28 C 4.1690 1.0737 0.0716 C.ar 2 UNL2 0.2724 29 C 5.0962 -1.5708 -0.3053 C.ar 2 UNL2 0.2097 30 C 2.9851 -2.5201 0.4019 C.ar 2 UNL2 -0.3801 31 C 5.5131 0.6935 -0.4181 C.ar 2 UNL2 0.0176 32 C 3.4311 -3.8489 0.2378 C.ar 2 UNL2 -0.1442 33 C 5.4948 -2.9011 -0.4524 C.ar 2 UNL2 -0.2654 34 C 4.7152 -4.0369 -0.1965 C.ar 2 UNL2 -0.2126 35 C 6.4268 2.0119 -0.7254 C.2 2 UNL2 0.6410 36 C 2.0816 -3.6334 0.6878 C.3 2 UNL2 0.3892 37 C 6.0910 -4.2188 -0.6636 C.3 2 UNL2 0.4556 38 C 4.6217 3.4496 0.0145 C.1 2 UNL2 0.7191 @BOND 1 6 21 2 2 21 19 2 3 19 1 1 4 19 17 1 5 10 35 2 6 1 20 1 7 35 15 am 8 35 31 1 9 7 22 2 10 37 33 1 11 37 34 1 12 13 31 ar 13 13 29 ar 14 4 17 2 15 15 38 am 16 33 29 ar 17 33 34 ar 18 31 28 ar 19 17 16 1 20 29 27 ar 21 34 32 ar 22 38 11 2 23 38 14 2 24 28 14 1 25 28 12 ar 26 20 2 2 27 20 18 1 28 27 12 ar 29 27 30 ar 30 32 30 ar 31 32 36 1 32 8 23 2 33 12 26 1 34 30 36 1 35 26 25 1 36 18 16 1 37 18 5 2 38 16 3 2 39 25 24 3 40 24 9 1