@MOLECULE 6-[(4-nitrobenzyl)sulfanyl]-9-(5-o-phosphono-beta-d-ribofuranosyl)-9h-purine 51 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.9018 1.3619 0.4714 C.3 1 UNL1 0.2365 2 C -3.2641 2.2242 -0.7763 C.3 1 UNL1 0.0301 3 C -4.7651 1.9213 -1.0045 C.3 1 UNL1 0.0905 4 C -5.0527 0.6930 -0.1047 C.3 1 UNL1 0.0418 5 C -1.2360 -0.6238 0.2604 C.ar 1 UNL1 0.1819 6 C 1.0862 3.1681 0.4643 C.ar 1 UNL1 0.2632 7 C 6.6002 0.4943 -0.9078 C.ar 1 UNL1 -0.1814 8 C 6.5761 -0.5007 1.3032 C.ar 1 UNL1 -0.1857 9 C 7.7723 -0.1890 -1.2094 C.ar 1 UNL1 -0.0798 10 C 7.7460 -1.1920 1.0117 C.ar 1 UNL1 -0.0790 11 C -5.5234 -0.5583 -0.8590 C.3 1 UNL1 -0.0077 12 C 4.7517 1.0837 0.6647 C.3 1 UNL1 -0.3646 13 H -2.1702 3.7490 -0.1863 H 1 UNL1 0.3674 14 H -5.1256 3.6990 -0.2077 H 1 UNL1 0.3497 15 C 1.9643 0.9901 0.3647 C.ar 1 UNL1 0.1695 16 C 5.9983 0.3421 0.3466 C.ar 1 UNL1 0.0702 17 C 8.3360 -1.0289 -0.2448 C.ar 1 UNL1 -0.0918 18 O -7.0414 -3.3965 -1.1311 O.2 1 UNL1 -0.2144 19 O 10.0169 -2.5032 0.2879 O.2 1 UNL1 -0.3980 20 O -3.1122 3.5811 -0.4645 O.3 1 UNL1 -0.5531 21 O -5.6300 2.9480 -0.6018 O.3 1 UNL1 -0.5370 22 O -8.7213 -1.7482 -0.2418 O.3 1 UNL1 -0.2992 23 O -7.3188 -2.9509 1.4292 O.3 1 UNL1 -0.3363 24 O -6.2829 -1.2112 0.1667 O.3 1 UNL1 -0.3839 25 H -8.8996 -1.1372 0.5643 H 1 UNL1 0.3103 26 H -6.4341 -2.6770 1.8793 H 1 UNL1 0.3252 27 O -3.8329 0.3122 0.5526 O.3 1 UNL1 -0.4135 28 O 10.0779 -1.5621 -1.6461 O.2 1 UNL1 -0.3986 29 N 0.0854 -0.7896 0.2420 N.ar 1 UNL1 -0.3363 30 N -0.2100 2.8038 0.4210 N.ar 1 UNL1 -0.4873 31 N 2.1518 2.3195 0.4439 N.ar 1 UNL1 -0.4946 32 P -7.3001 -2.4329 -0.0830 P.3 1 UNL1 0.3561 33 N 9.5614 -1.7480 -0.5557 N.pl3 1 UNL1 0.6226 34 S 3.3565 -0.0709 0.3401 S.3 1 UNL1 0.2050 35 C -0.4020 1.4629 0.3633 C.ar 1 UNL1 0.2246 36 C 0.6557 0.4802 0.3112 C.ar 1 UNL1 -0.0896 37 N -1.5879 0.7459 0.3279 N.ar 1 UNL1 -0.3735 38 H -2.9417 1.9498 1.4271 H 1 UNL1 0.1701 39 H -2.6443 1.9839 -1.6647 H 1 UNL1 0.1521 40 H -5.0066 1.7549 -2.0753 H 1 UNL1 0.1539 41 H -5.7633 0.9625 0.7165 H 1 UNL1 0.1808 42 H -1.9887 -1.4046 0.2314 H 1 UNL1 0.2201 43 H -6.1217 -0.2878 -1.7511 H 1 UNL1 0.1386 44 H -4.6667 -1.1963 -1.1599 H 1 UNL1 0.1445 45 H 1.3130 4.2468 0.5219 H 1 UNL1 0.2073 46 H 4.7168 1.4291 1.7180 H 1 UNL1 0.1834 47 H 4.6371 2.0125 0.0629 H 1 UNL1 0.1969 48 H 6.1484 1.1488 -1.6542 H 1 UNL1 0.1708 49 H 6.1082 -0.6202 2.2814 H 1 UNL1 0.1715 50 H 8.2504 -0.0748 -2.1879 H 1 UNL1 0.1853 51 H 8.2026 -1.8564 1.7528 H 1 UNL1 0.1852 @BOND 1 50 9 1 2 40 3 1 3 43 11 1 4 39 2 1 5 48 7 1 6 28 33 2 7 9 7 ar 8 9 17 ar 9 44 11 1 10 18 32 2 11 3 2 1 12 3 21 1 13 3 4 1 14 7 16 ar 15 11 4 1 16 11 24 1 17 2 20 1 18 2 1 1 19 21 14 1 20 33 17 1 21 33 19 2 22 20 13 1 23 17 10 ar 24 22 32 1 25 22 25 1 26 4 27 1 27 4 41 1 28 32 24 1 29 32 23 1 30 47 12 1 31 42 5 1 32 29 5 ar 33 29 36 ar 34 5 37 ar 35 36 35 ar 36 36 15 ar 37 37 35 ar 38 37 1 1 39 34 15 1 40 34 12 1 41 16 12 1 42 16 8 ar 43 35 30 ar 44 15 31 ar 45 30 6 ar 46 31 6 ar 47 6 45 1 48 1 27 1 49 1 38 1 50 12 46 1 51 10 8 ar 52 10 51 1 53 8 49 1 54 23 26 1