@MOLECULE 9-[5-o-(hydroxy{[5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanoyl]oxy}phosphoryl)pentofuranosyl]-9h-purin-6-amine 38 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 4.2226 6.1643 -0.2894 N.1 1 UNL1 -0.0054 2 C 4.4684 5.0513 -0.4862 C.1 1 UNL1 0.0141 3 N 1.8666 4.1388 2.1303 N.1 1 UNL1 -0.0632 4 C 2.5443 3.3860 1.5661 C.1 1 UNL1 0.1637 5 N 3.2637 2.4015 0.9807 N.pl3 1 UNL1 -0.2236 6 C 4.1231 2.5464 0.0573 C.ar 1 UNL1 0.2244 7 N 4.7808 1.3877 -0.5301 N.ar 1 UNL1 -0.5306 8 C 5.6906 1.7958 -1.6231 C.ar 1 UNL1 0.6562 9 N 5.6026 3.2275 -1.6201 N.ar 1 UNL1 -0.4777 10 C 4.7749 3.6923 -0.7382 C.ar 1 UNL1 0.2866 11 C1* 4.5948 0.1185 -0.1197 C.3 1 UNL1 0.2828 12 O4* 3.8127 -0.1293 0.9032 O.2 1 UNL1 0.1274 13 C4* 3.9119 -1.5223 1.1946 C.2 1 UNL1 -0.4398 14 C5* 2.9777 -2.0569 2.0315 C.1 1 UNL1 0.6991 15 O5* 2.4474 -2.7110 2.8136 O.2 1 UNL1 -0.1133 16 P 1.1004 -3.2568 -0.8914 P.3 2 UNL2 0.4288 17 O -0.2419 -3.4225 -1.3392 O.2 2 UNL2 -0.0876 18 O 2.4022 -3.7890 -1.1772 O.2 2 UNL2 -0.1654 19 O 1.3631 -2.2431 0.2781 O.3 2 UNL2 -0.4739 20 C 0.6733 -1.2108 0.9101 C.2 2 UNL2 0.8044 21 O 1.4681 -0.6982 1.7136 O.2 2 UNL2 -0.5867 22 C -0.6289 -0.9155 0.6258 C.1 2 UNL2 -0.5685 23 C -1.8074 -0.6909 0.3275 C.1 2 UNL2 0.4673 24 C -3.0489 -0.4248 -0.0411 C.1 2 UNL2 -0.5002 25 C -4.1798 -0.1787 -0.4949 C.1 2 UNL2 0.3917 26 C -5.3759 0.0692 -1.0531 C.3 2 UNL2 -0.4850 27 S -6.6475 -1.1119 -0.8911 S.3 2 UNL2 0.2786 28 C -7.8316 -0.3511 -0.0425 C.1 2 UNL2 -0.1950 29 C -8.7604 0.2075 0.5239 C.1 2 UNL2 0.0707 30 N -9.7278 0.7794 1.2152 N.2 2 UNL2 -0.3843 31 C -10.8049 1.3142 0.9080 C.1 2 UNL2 0.5675 32 O -11.8514 1.8314 0.9674 O.2 2 UNL2 -0.2953 33 N -5.8363 2.1529 -2.4593 N.1 2 UNL2 -0.3444 34 C -5.6227 1.2095 -1.8174 C.1 2 UNL2 0.2128 35 C3* 4.8637 -2.2198 0.3882 C.2 1 UNL1 0.4299 36 O3* 5.3209 -3.3187 0.4338 O.2 1 UNL1 -0.2899 37 C2* 5.2943 -1.1722 -0.6735 C.2 1 UNL1 0.3066 38 O2* 5.9273 -1.2081 -1.6639 O.2 1 UNL1 -0.1827 @BOND 1 33 34 3 2 34 26 1 3 38 37 2 4 8 9 ar 5 8 7 ar 6 9 10 ar 7 17 16 2 8 18 16 2 9 26 27 1 10 26 25 1 11 16 19 1 12 27 28 1 13 10 2 1 14 10 6 ar 15 37 11 1 16 37 35 1 17 7 11 1 18 7 6 ar 19 25 24 3 20 2 1 3 21 11 12 1 22 28 29 3 23 24 23 1 24 6 5 1 25 19 20 1 26 23 22 3 27 35 36 2 28 35 13 1 29 29 30 1 30 22 20 1 31 12 13 1 32 31 32 2 33 31 30 2 34 20 21 2 35 5 4 1 36 13 14 2 37 4 3 3 38 14 15 2