@MOLECULE 1,4:3,6-dianhydro-2-deoxy-2-((3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)propyl)amino)-l-iditol 5-nitrate 51 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.2113 -1.0967 -1.6569 O.3 1 UNL1 -0.3835 2 O 3.0773 -0.6432 1.5343 O.3 1 UNL1 -0.3975 3 O 5.1227 1.5165 0.4545 O.2 1 UNL1 -0.3087 4 O 6.9741 1.4166 -0.8083 O.2 1 UNL1 -0.3609 5 O 6.2153 3.3158 -0.0365 O.2 1 UNL1 -0.2949 6 O -1.7979 0.9270 1.0725 O.2 1 UNL1 -0.4915 7 O -5.4363 3.1275 -0.6021 O.2 1 UNL1 -0.4957 8 N 1.2531 -2.5514 -0.6807 N.3 1 UNL1 -0.5588 9 N -3.3722 -1.6913 0.5697 N.ar 1 UNL1 -0.1841 10 N 6.2111 2.1251 -0.2011 N.pl3 1 UNL1 0.7136 11 N -5.5833 0.8537 -0.5481 N.ar 1 UNL1 -0.4122 12 N -5.4550 -1.6169 -0.3211 N.ar 1 UNL1 -0.4361 13 N -3.6097 2.0186 0.2186 N.ar 1 UNL1 -0.5253 14 C 2.6978 -0.7484 0.1761 C.3 1 UNL1 0.0646 15 C 3.8142 -0.1476 -0.6934 C.3 1 UNL1 0.0384 16 C 2.6244 -2.2470 -0.2341 C.3 1 UNL1 -0.0360 17 C 4.9816 0.1072 0.2903 C.3 1 UNL1 -0.0107 18 C 3.6244 -2.3699 -1.4014 C.3 1 UNL1 -0.0689 19 C 4.4724 -0.3914 1.6506 C.3 1 UNL1 -0.0703 20 C 0.3004 -2.6710 0.4458 C.3 1 UNL1 -0.1041 21 C -1.0910 -2.3080 -0.1017 C.3 1 UNL1 -0.2977 22 C -2.0901 -2.1774 1.0585 C.3 1 UNL1 -0.0884 23 C -3.6670 -0.3477 0.3490 C.ar 1 UNL1 -0.2843 24 C -4.9745 -0.3275 -0.2036 C.ar 1 UNL1 0.3104 25 C -4.4596 -2.4229 0.1428 C.ar 1 UNL1 0.1283 26 C -2.9084 0.8481 0.5966 C.ar 1 UNL1 0.6292 27 C -4.9095 2.0715 -0.3231 C.ar 1 UNL1 0.6977 28 C -6.9558 0.8606 -1.0613 C.3 1 UNL1 -0.2058 29 C -2.9541 3.3241 0.4023 C.3 1 UNL1 -0.2089 30 H 1.7190 -0.2288 0.1167 H 1 UNL1 0.1834 31 H 3.5298 0.7530 -1.2715 H 1 UNL1 0.1695 32 H 2.9424 -2.8810 0.6300 H 1 UNL1 0.1373 33 H 5.9207 -0.3803 -0.0446 H 1 UNL1 0.1819 34 H 3.1517 -2.6503 -2.3601 H 1 UNL1 0.1503 35 H 4.4604 -3.0521 -1.1796 H 1 UNL1 0.1305 36 H 4.5526 0.3656 2.4536 H 1 UNL1 0.1655 37 H 4.9563 -1.3298 1.9649 H 1 UNL1 0.1356 38 H 1.2206 -3.3710 -1.2807 H 1 UNL1 0.2618 39 H 0.5844 -1.9569 1.2546 H 1 UNL1 0.1589 40 H 0.2970 -3.6828 0.8998 H 1 UNL1 0.1107 41 H -1.0210 -1.3442 -0.6568 H 1 UNL1 0.1868 42 H -1.4307 -3.0509 -0.8434 H 1 UNL1 0.1473 43 H -2.2347 -3.1502 1.5783 H 1 UNL1 0.1483 44 H -1.6972 -1.4476 1.8172 H 1 UNL1 0.1886 45 H -4.5254 -3.4993 0.1829 H 1 UNL1 0.1953 46 H -7.1971 1.8428 -1.5117 H 1 UNL1 0.1764 47 H -7.6745 0.6575 -0.2461 H 1 UNL1 0.1548 48 H -7.0744 0.0745 -1.8318 H 1 UNL1 0.1666 49 H -1.9829 3.2010 0.9185 H 1 UNL1 0.1770 50 H -3.5930 3.9944 1.0063 H 1 UNL1 0.1594 51 H -2.7776 3.8048 -0.5770 H 1 UNL1 0.1562 @BOND 1 34 18 1 2 48 28 1 3 1 18 1 4 1 15 1 5 46 28 1 6 18 35 1 7 18 16 1 8 38 8 1 9 31 15 1 10 28 11 1 11 28 47 1 12 42 21 1 13 4 10 2 14 15 14 1 15 15 17 1 16 8 16 1 17 8 20 1 18 41 21 1 19 7 27 2 20 51 29 1 21 11 27 ar 22 11 24 ar 23 27 13 ar 24 12 24 ar 25 12 25 ar 26 16 14 1 27 16 32 1 28 24 23 ar 29 10 5 2 30 10 3 1 31 21 20 1 32 21 22 1 33 33 17 1 34 30 14 1 35 25 45 1 36 25 9 ar 37 14 2 1 38 13 29 1 39 13 26 ar 40 17 3 1 41 17 19 1 42 23 9 ar 43 23 26 ar 44 29 49 1 45 29 50 1 46 20 40 1 47 20 39 1 48 9 22 1 49 26 6 2 50 22 43 1 51 22 44 1 52 2 19 1 53 19 37 1 54 19 36 1