@MOLECULE 2-amino-5-({[3-(6-amino-9h-purin-9-yl)-4,5-dihydroxy-1-cyclopenten-1-yl]methyl}sulfonio)pentanoate 27 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -1.9370 -0.2561 -0.4179 S.3 1 UNL1 1.3569 2 O 3.0128 -3.4290 0.3218 O.2 1 UNL1 -0.2830 3 O 0.7929 -2.1726 2.0650 O.2 1 UNL1 -0.2995 4 O -11.2845 1.2759 0.4148 O.2 1 UNL1 -0.3269 5 O -9.9378 -0.5537 0.9607 O.2 1 UNL1 -0.3462 6 N 4.3618 -0.7060 -0.4789 N.ar 1 UNL1 -0.4482 7 N 6.5835 -0.6702 -0.9758 N.ar 1 UNL1 -0.4360 8 N 4.0937 1.4548 0.4972 N.pl3 1 UNL1 -0.2986 9 N 4.6216 3.7673 1.3054 N.1 1 UNL1 -0.1631 10 N -8.2670 0.9611 -1.0136 N.1 1 UNL1 -0.2715 11 N 8.0256 2.3709 0.0102 N.1 1 UNL1 -0.0778 12 C 3.0252 -1.0493 -0.3937 C.3 1 UNL1 -0.0302 13 C 2.5645 -2.3398 0.3068 C.2 1 UNL1 0.3583 14 C 1.2187 -1.8103 1.0274 C.2 1 UNL1 0.3652 15 C 0.7360 -0.7550 0.0104 C.3 1 UNL1 0.0231 16 C 1.8836 -0.3688 -0.5534 C.3 1 UNL1 -0.0201 17 C -0.6037 -0.5431 -0.2220 C.3 1 UNL1 -0.6015 18 C 4.8475 0.5870 -0.0535 C.ar 1 UNL1 0.2812 19 C 5.3691 -1.5007 -1.0504 C.ar 1 UNL1 0.5471 20 C -3.2795 0.0115 -0.5995 C.1 1 UNL1 -0.6333 21 C 6.3441 0.4784 -0.4392 C.ar 1 UNL1 0.1891 22 C -4.5964 0.2699 -0.7454 C.1 1 UNL1 0.2062 23 C -5.7891 0.5010 -0.8557 C.1 1 UNL1 -0.2194 24 C -7.1267 0.7520 -0.9505 C.1 1 UNL1 0.2072 25 C 7.2648 1.5245 -0.1920 C.1 1 UNL1 0.0494 26 C 4.4612 2.6872 0.9108 C.1 1 UNL1 0.1991 27 C -10.5950 0.3683 0.6682 C.1 1 UNL1 0.6724 @BOND 1 19 7 ar 2 19 6 ar 3 10 24 3 4 7 21 ar 5 24 23 1 6 23 22 3 7 22 20 1 8 20 1 3 9 16 12 1 10 16 15 1 11 6 12 1 12 6 18 ar 13 21 25 1 14 21 18 ar 15 1 17 1 16 12 13 1 17 17 15 1 18 25 11 3 19 18 8 1 20 15 14 1 21 13 2 2 22 13 14 1 23 4 27 2 24 8 26 1 25 27 5 2 26 26 9 3 27 14 3 2