@MOLECULE (2s,3r,4s,5s)-3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-1h-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium 37 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -4.5101 -1.2425 -0.2174 S.3 1 UNL1 -0.0124 2 O -1.7694 2.6569 1.5860 O.3 1 UNL1 -0.5708 3 O -0.7793 1.9553 -1.5802 O.3 1 UNL1 -0.6182 4 O 4.9579 -1.5003 -0.2060 O.2 1 UNL1 -0.4330 5 N -1.1363 -0.7895 -1.0067 N.3 1 UNL1 -0.6418 6 N 2.6084 -1.3280 1.7034 N.ar 1 UNL1 -0.2144 7 N 1.8022 0.9903 -0.8935 N.ar 1 UNL1 -0.4737 8 N 3.9110 0.0544 -1.5331 N.ar 1 UNL1 -0.5306 9 C -0.3561 0.7484 1.5631 C.3 1 UNL1 -0.2492 10 C -2.1814 0.2244 -0.7830 C.3 1 UNL1 0.0447 11 C -0.8331 1.9231 0.8000 C.3 1 UNL1 0.1093 12 C -1.6487 1.6594 -0.4919 C.3 1 UNL1 0.0768 13 C 0.8496 0.0938 1.3332 C.ar 1 UNL1 -0.1166 14 C -3.1200 -0.1976 0.3530 C.3 1 UNL1 -0.3555 15 C 1.7978 0.2246 0.2572 C.ar 1 UNL1 0.1080 16 C 1.4061 -0.8990 2.2004 C.ar 1 UNL1 -0.0643 17 C 2.8705 -0.6576 0.5195 C.ar 1 UNL1 -0.1949 18 C 4.0128 -0.7741 -0.3884 C.ar 1 UNL1 0.5936 19 C -3.6970 -2.7735 -0.7644 C.3 1 UNL1 -0.4968 20 C 2.8935 0.8343 -1.7537 C.ar 1 UNL1 0.3044 21 H -0.9785 0.4386 2.3971 H 1 UNL1 0.1671 22 H -2.7397 0.2991 -1.7635 H 1 UNL1 0.1726 23 H -0.3791 -0.4142 -1.5573 H 1 UNL1 0.2587 24 H -0.7371 -1.1342 -0.1446 H 1 UNL1 0.2529 25 H 0.0125 2.6229 0.5681 H 1 UNL1 0.1423 26 H -2.5123 2.3712 -0.5078 H 1 UNL1 0.1526 27 H -3.5825 0.6867 0.8391 H 1 UNL1 0.1789 28 H -2.5646 -0.7220 1.1524 H 1 UNL1 0.1637 29 H -1.4146 2.8316 2.4801 H 1 UNL1 0.3280 30 H -0.9371 2.8513 -1.9308 H 1 UNL1 0.3431 31 H 0.9847 -1.2721 3.1154 H 1 UNL1 0.1814 32 H 3.2129 -2.0226 2.0948 H 1 UNL1 0.3296 33 H 0.9628 1.5063 -1.1597 H 1 UNL1 0.3533 34 H -4.3945 -3.3323 -1.3968 H 1 UNL1 0.1646 35 H -3.4058 -3.4042 0.0794 H 1 UNL1 0.1567 36 H -2.7931 -2.5631 -1.3602 H 1 UNL1 0.1970 37 H 2.8678 1.4468 -2.6733 H 1 UNL1 0.1929 @BOND 1 37 20 1 2 30 3 1 3 22 10 1 4 20 8 ar 5 20 7 ar 6 3 12 1 7 23 5 1 8 8 18 ar 9 34 19 1 10 36 19 1 11 33 7 1 12 5 10 1 13 5 24 1 14 7 15 ar 15 10 12 1 16 10 14 1 17 19 1 1 18 19 35 1 19 26 12 1 20 12 11 1 21 18 4 2 22 18 17 ar 23 1 14 1 24 15 17 ar 25 15 13 ar 26 14 27 1 27 14 28 1 28 17 6 ar 29 25 11 1 30 11 9 1 31 11 2 1 32 13 9 1 33 13 16 ar 34 9 21 1 35 2 29 1 36 6 32 1 37 6 16 ar 38 16 31 1