@MOLECULE 5'-o-[(s)-{[(s)-{[(8r)-2-amino-4-hydroxy-6,7-disulfanyl-8h-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine 44 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 3.2293 1.9098 0.6266 N.3 1 UNL1 0.1181 2 C -0.8253 4.9655 -0.2295 C.2 1 UNL1 0.7316 3 N -0.5327 4.9785 1.1657 N.am 1 UNL1 -0.4643 4 C 0.4289 4.3770 1.7005 C.2 1 UNL1 0.3612 5 C 1.5847 3.4650 1.7450 C.3 1 UNL1 0.0610 6 C 2.4693 2.6495 1.1584 C.3 1 UNL1 -0.0209 7 O -0.0690 5.3910 -1.0605 O.2 1 UNL1 -0.4092 8 N 1.1627 4.0764 2.8577 N.2 1 UNL1 -0.2416 9 C1* 4.0930 1.2553 -0.0444 C.3 1 UNL1 -0.0145 10 C2* 5.2691 0.4666 0.3878 C.2 1 UNL1 0.3719 11 O2* 5.8941 0.5589 1.3973 O.2 1 UNL1 -0.3149 12 C3* 5.4928 -0.5086 -0.7933 C.2 1 UNL1 0.4139 13 C4* 4.4272 -0.1758 -1.7233 C.2 1 UNL1 -0.3338 14 O4* 3.8299 1.0623 -1.4084 O.2 1 UNL1 -0.1230 15 O3* 6.3391 -1.3488 -0.8658 O.2 1 UNL1 -0.3608 16 C5* 3.8718 -0.9128 -2.6813 C.1 1 UNL1 0.5557 17 O5* 3.4546 -1.5354 -3.5557 O.2 1 UNL1 -0.1705 18 P 0.5087 -0.0856 -0.7902 P.3 1 UNL1 0.4411 19 O 1.1354 0.7812 -1.7370 O.2 1 UNL1 -0.1169 20 O -0.8291 -0.2996 -0.3141 O.2 1 UNL1 -0.2469 21 O 1.5071 -1.0335 -0.1213 O.3 1 UNL1 -0.3372 22 P 2.4202 -2.0501 0.6458 P.3 1 UNL1 0.4211 23 O 2.7175 -3.1634 -0.2134 O.2 1 UNL1 -0.1839 24 O 2.9885 -1.4132 1.8031 O.3 1 UNL1 -0.1734 25 O 1.0058 -2.8524 1.6292 O.3 1 UNL1 -0.0399 26 C -0.1438 -2.8084 1.4066 C.3 1 UNL1 0.5168 27 C -1.4688 -2.7905 1.2338 C.3 1 UNL1 -0.1591 28 C -2.2224 -3.7165 0.4337 C.2 1 UNL1 0.0385 29 S -1.5585 -5.0774 -0.1103 S.2 1 UNL1 -0.0758 30 C -3.5826 -3.2666 0.1073 C.2 1 UNL1 -0.0554 31 S -4.8077 -4.2463 -0.1782 S.2 1 UNL1 0.0550 32 C -3.7322 -1.8039 0.1084 C.2 1 UNL1 0.0654 33 C -2.9563 -1.0804 0.9700 C.2 1 UNL1 0.3421 34 O -2.1082 -1.7187 1.8587 O.2 1 UNL1 -0.1675 35 N -4.6291 -1.2110 -0.7398 N.1 1 UNL1 -0.5245 36 C -5.4229 -0.7199 -1.4705 C.1 1 UNL1 0.3601 37 N -3.0102 0.2687 1.2473 N.pl3 1 UNL1 -0.3843 38 C -2.6119 1.2909 0.7005 C.3 1 UNL1 0.5811 39 N -2.1567 2.4291 0.4550 N.pl3 1 UNL1 -0.4964 40 C -2.7501 3.4991 -0.2325 C.2 1 UNL1 0.6984 41 N -2.1491 4.5948 -0.5465 N.am 1 UNL1 -0.5531 42 N -4.0794 3.2738 -0.6090 N.pl3 1 UNL1 -0.5965 43 C -4.9250 4.0020 -1.1697 C.1 1 UNL1 0.6523 44 O -5.8736 4.4536 -1.6630 O.2 1 UNL1 -0.2211 @BOND 1 17 16 2 2 16 13 2 3 19 18 2 4 13 14 1 5 13 12 1 6 44 43 2 7 36 35 3 8 14 9 1 9 43 42 2 10 7 2 2 11 15 12 2 12 12 10 1 13 18 20 2 14 18 21 1 15 35 32 1 16 42 40 2 17 41 40 1 18 41 2 am 19 40 39 1 20 2 3 am 21 23 22 2 22 31 30 2 23 21 22 1 24 29 28 2 25 9 10 1 26 9 1 1 27 30 32 1 28 30 28 1 29 32 33 2 30 10 11 2 31 28 27 1 32 39 38 1 33 1 6 1 34 22 25 1 35 22 24 1 36 38 37 1 37 33 37 1 38 33 34 1 39 6 5 1 40 3 4 1 41 27 26 1 42 27 34 1 43 26 25 1 44 4 5 1 45 4 8 2 46 5 8 1