@MOLECULE 1-deoxy-1-{2,6,8-trioxo-7-[6-(phosphonooxy)hexyl]octahydro-9h-purin-9-yl}-d-ribitol 59 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -10.0106 -0.8702 -0.9423 O.3 1 UNL1 -0.3493 2 P -9.1750 -0.7539 0.4196 P.3 1 UNL1 0.3354 3 O -9.5513 0.2660 1.3803 O.2 1 UNL1 -0.2513 4 O -9.3456 -2.2260 0.9967 O.3 1 UNL1 -0.2981 5 O -7.7164 -0.7047 -0.2361 O.3 1 UNL1 -0.3314 6 C -6.5311 -0.5216 0.5742 C.3 1 UNL1 0.0026 7 C -5.4847 -0.2361 -0.5152 C.3 1 UNL1 -0.3055 8 C -4.0912 -0.1366 0.1102 C.3 1 UNL1 -0.2660 9 C -3.0388 0.1039 -0.9790 C.3 1 UNL1 -0.2650 10 C -1.6383 0.1965 -0.3666 C.3 1 UNL1 -0.3065 11 C -0.6001 0.3508 -1.4906 C.3 1 UNL1 -0.0542 12 N 0.7622 0.4278 -0.9807 N.ar 1 UNL1 -0.3536 13 C 1.3438 1.6174 -0.4822 C.ar 1 UNL1 -0.2546 14 C 0.9548 2.9868 -0.6488 C.ar 1 UNL1 0.6353 15 O -0.0141 3.4498 -1.2021 O.2 1 UNL1 -0.4800 16 N 1.8737 3.9002 -0.0425 N.ar 1 UNL1 -0.6334 17 C 1.4588 -0.6671 -0.4578 C.ar 1 UNL1 0.6520 18 O 1.2625 -1.8469 -0.6060 O.2 1 UNL1 -0.5014 19 N 2.5889 -0.1205 0.2597 N.ar 1 UNL1 -0.4482 20 C 2.5056 1.2619 0.2154 C.ar 1 UNL1 0.3651 21 N 3.3691 2.1848 0.7519 N.ar 1 UNL1 -0.5238 22 C 3.0736 3.5621 0.5955 C.ar 1 UNL1 0.7095 23 O 3.8445 4.3948 1.0153 O.2 1 UNL1 -0.4807 24 C 3.6429 -0.9131 0.8669 C.3 1 UNL1 -0.1013 25 C 4.9686 -0.7340 0.0952 C.3 1 UNL1 0.1050 26 O 5.5573 0.4888 0.4867 O.3 1 UNL1 -0.5833 27 C 5.9422 -1.8959 0.3950 C.3 1 UNL1 0.0746 28 O 6.4135 -1.6599 1.7062 O.3 1 UNL1 -0.5867 29 C 7.1046 -1.8848 -0.6227 C.3 1 UNL1 0.0700 30 O 6.5331 -2.3593 -1.8216 O.3 1 UNL1 -0.5407 31 C 8.2174 -2.8714 -0.2176 C.3 1 UNL1 -0.0490 32 O 8.9004 -2.1919 0.8324 O.3 1 UNL1 -0.5726 33 H -9.9613 0.0242 -1.4376 H 1 UNL1 0.3198 34 H -9.1833 -2.9002 0.2347 H 1 UNL1 0.3098 35 H -6.2990 -1.4572 1.1219 H 1 UNL1 0.1213 36 H -6.6036 0.3184 1.2930 H 1 UNL1 0.1317 37 H -5.7447 0.6972 -1.0508 H 1 UNL1 0.1521 38 H -5.5179 -1.0352 -1.2811 H 1 UNL1 0.1509 39 H -3.8532 -1.0631 0.6671 H 1 UNL1 0.1383 40 H -4.0619 0.6834 0.8530 H 1 UNL1 0.1411 41 H -3.2728 1.0340 -1.5328 H 1 UNL1 0.1444 42 H -3.0759 -0.7135 -1.7245 H 1 UNL1 0.1383 43 H -1.4163 -0.7053 0.2354 H 1 UNL1 0.1512 44 H -1.5757 1.0555 0.3292 H 1 UNL1 0.1550 45 H -0.8015 1.2798 -2.0824 H 1 UNL1 0.1765 46 H -0.6530 -0.5162 -2.1928 H 1 UNL1 0.1579 47 H 1.6595 4.8996 -0.1159 H 1 UNL1 0.3497 48 H 4.3080 1.8915 1.0454 H 1 UNL1 0.3710 49 H 3.3214 -1.9861 0.8596 H 1 UNL1 0.1856 50 H 3.7804 -0.6255 1.9372 H 1 UNL1 0.1704 51 H 4.7996 -0.6179 -1.0009 H 1 UNL1 0.1725 52 H 6.1294 0.3441 1.2803 H 1 UNL1 0.3496 53 H 5.4302 -2.8813 0.4046 H 1 UNL1 0.1556 54 H 7.3967 -1.7689 1.7496 H 1 UNL1 0.3603 55 H 7.5156 -0.8570 -0.7489 H 1 UNL1 0.1537 56 H 6.9692 -1.9597 -2.6026 H 1 UNL1 0.3276 57 H 8.9230 -3.0537 -1.0466 H 1 UNL1 0.1342 58 H 7.8157 -3.8289 0.1532 H 1 UNL1 0.1353 59 H 9.5488 -2.7876 1.2636 H 1 UNL1 0.3332 @BOND 1 56 30 1 2 46 11 1 3 45 11 1 4 30 29 1 5 42 9 1 6 41 9 1 7 11 12 1 8 11 10 1 9 33 1 1 10 38 7 1 11 15 14 2 12 37 7 1 13 57 31 1 14 51 25 1 15 12 13 ar 16 12 17 ar 17 9 10 1 18 9 8 1 19 1 2 1 20 55 29 1 21 14 13 ar 22 14 16 ar 23 29 31 1 24 29 27 1 25 18 17 2 26 7 8 1 27 7 6 1 28 13 20 ar 29 17 19 ar 30 10 43 1 31 10 44 1 32 5 2 1 33 5 6 1 34 31 58 1 35 31 32 1 36 47 16 1 37 16 22 ar 38 25 27 1 39 25 26 1 40 25 24 1 41 8 39 1 42 8 40 1 43 20 19 ar 44 20 21 ar 45 34 4 1 46 19 24 1 47 27 53 1 48 27 28 1 49 2 4 1 50 2 3 2 51 26 52 1 52 6 35 1 53 6 36 1 54 22 21 ar 55 22 23 2 56 21 48 1 57 32 59 1 58 49 24 1 59 24 50 1 60 28 54 1