@MOLECULE 2'-deoxy-5-hexyluridine 46 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 2.0816 1.3508 1.2006 O.3 1 UNL1 -0.3918 2 O3* 4.0862 3.1297 -0.4976 O.3 1 UNL1 -0.5388 3 O5* -0.4118 2.4227 0.5906 O.3 1 UNL1 -0.5323 4 O 3.4720 -2.0810 -0.5593 O.2 1 UNL1 -0.5302 5 O -0.6954 -3.8555 -0.4865 O.2 1 UNL1 -0.4772 6 N 1.8108 -0.8177 0.3728 N.ar 1 UNL1 -0.5110 7 N 1.3710 -2.9825 -0.5280 N.ar 1 UNL1 -0.6258 8 C1* 2.7940 0.2652 0.6637 C.3 1 UNL1 0.3173 9 C3* 3.0597 2.2198 -0.7790 C.3 1 UNL1 0.1197 10 C2* 3.5168 0.7627 -0.6000 C.3 1 UNL1 -0.3966 11 C4* 1.9007 2.3812 0.2322 C.3 1 UNL1 0.0319 12 C5* 0.5348 2.2617 -0.4517 C.3 1 UNL1 -0.0543 13 C 0.4953 -0.7192 0.7933 C.ar 1 UNL1 0.1374 14 C -0.4063 -1.6996 0.5250 C.ar 1 UNL1 -0.2866 15 C 2.2992 -1.9810 -0.2591 C.ar 1 UNL1 0.7002 16 C -1.8387 -1.5692 0.9185 C.3 1 UNL1 -0.2347 17 C -2.5399 -0.5271 0.0304 C.3 1 UNL1 -0.2660 18 C -3.9968 -0.3363 0.4653 C.3 1 UNL1 -0.2711 19 C -0.0100 -2.9104 -0.1753 C.ar 1 UNL1 0.6101 20 C -4.6917 0.7049 -0.4212 C.3 1 UNL1 -0.2722 21 C -6.1483 0.9068 0.0173 C.3 1 UNL1 -0.2525 22 C -6.8455 1.9430 -0.8643 C.3 1 UNL1 -0.4407 23 H1* 3.4681 -0.0795 1.4866 H 1 UNL1 0.1613 24 H3* 2.7940 2.4783 -1.8246 H 1 UNL1 0.1562 25 H2*1 4.6157 0.6907 -0.4933 H 1 UNL1 0.1873 26 H2*2 3.2940 0.1496 -1.4929 H 1 UNL1 0.1901 27 H4* 1.9648 3.3090 0.8438 H 1 UNL1 0.1752 28 H5*1 0.3784 1.2678 -0.9110 H 1 UNL1 0.1369 29 H5*2 0.4027 3.0504 -1.2136 H 1 UNL1 0.1254 30 H 0.2176 0.2014 1.3438 H 1 UNL1 0.2164 31 H -2.3602 -2.5491 0.8299 H 1 UNL1 0.1712 32 H -1.9280 -1.2844 1.9867 H 1 UNL1 0.1479 33 H3* 4.4491 2.9990 0.4043 H 1 UNL1 0.3232 34 H -2.4962 -0.8511 -1.0268 H 1 UNL1 0.1435 35 H -1.9984 0.4354 0.0821 H 1 UNL1 0.1302 36 H -4.5374 -1.3005 0.4113 H 1 UNL1 0.1424 37 H -4.0401 -0.0223 1.5249 H 1 UNL1 0.1374 38 H 1.7113 -3.8271 -0.9943 H 1 UNL1 0.3458 39 H -4.6585 0.3845 -1.4794 H 1 UNL1 0.1377 40 H -4.1495 1.6664 -0.3774 H 1 UNL1 0.1274 41 H5* -1.2896 2.6503 0.2225 H 1 UNL1 0.3145 42 H -6.1851 1.2257 1.0760 H 1 UNL1 0.1340 43 H -6.6936 -0.0551 -0.0280 H 1 UNL1 0.1363 44 H -7.8880 2.0869 -0.5588 H 1 UNL1 0.1415 45 H -6.8513 1.6355 -1.9160 H 1 UNL1 0.1428 46 H -6.3491 2.9177 -0.8077 H 1 UNL1 0.1405 @BOND 1 45 22 1 2 24 9 1 3 26 10 1 4 39 20 1 5 29 12 1 6 34 17 1 7 38 7 1 8 28 12 1 9 22 46 1 10 22 44 1 11 22 21 1 12 9 10 1 13 9 2 1 14 9 11 1 15 10 25 1 16 10 8 1 17 4 15 2 18 7 15 ar 19 7 19 ar 20 2 33 1 21 5 19 2 22 12 11 1 23 12 3 1 24 20 40 1 25 20 21 1 26 20 18 1 27 15 6 ar 28 19 14 ar 29 43 21 1 30 21 42 1 31 17 35 1 32 17 18 1 33 17 16 1 34 41 3 1 35 11 27 1 36 11 1 1 37 6 8 1 38 6 13 ar 39 36 18 1 40 18 37 1 41 14 13 ar 42 14 16 1 43 8 1 1 44 8 23 1 45 13 30 1 46 31 16 1 47 16 32 1