@MOLECULE 1-(2-o-{2-[2-(2-methoxyethoxy)ethoxy]ethyl}-5-o-phosphonopentofuranosyl)-5-methyl-2,4(1h,3h)-pyrimidinedione 61 62 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -5.7011 -0.9805 -0.1030 P.3 1 UNL1 0.3330 2 O -6.8409 -1.8672 0.0482 O.2 1 UNL1 -0.2153 3 O -5.7824 0.4734 0.5778 O.3 1 UNL1 -0.4394 4 O -5.3249 -0.6037 -1.5939 O.3 1 UNL1 -0.2948 5 O -4.4426 -1.6301 0.6390 O.3 1 UNL1 -0.2678 6 C -3.0641 -1.3916 0.3610 C.3 1 UNL1 -0.0476 7 C -2.6025 0.0670 0.4722 C.3 1 UNL1 0.0210 8 O -1.4340 0.0596 1.3009 O.3 1 UNL1 -0.4338 9 C -2.2113 0.7050 -0.8795 C.3 1 UNL1 0.0927 10 O -3.2037 1.5640 -1.3559 O.3 1 UNL1 -0.5453 11 C -0.8662 1.4253 -0.5809 C.3 1 UNL1 0.0178 12 O -1.2235 2.7408 -0.2116 O.3 1 UNL1 -0.4110 13 C -0.3473 0.7205 0.6984 C.3 1 UNL1 0.2568 14 N 0.6928 -0.3036 0.4728 N.ar 1 UNL1 -0.4672 15 C 0.6775 -1.1102 -0.6802 C.ar 1 UNL1 0.7178 16 O -0.0642 -0.8884 -1.6177 O.2 1 UNL1 -0.5513 17 N 1.5811 -2.1729 -0.7265 N.ar 1 UNL1 -0.6163 18 C 2.4820 -2.5017 0.3199 C.ar 1 UNL1 0.6088 19 O 3.2265 -3.4363 0.1307 O.2 1 UNL1 -0.4932 20 C 2.4014 -1.6503 1.4993 C.ar 1 UNL1 -0.2381 21 C 3.3047 -1.9892 2.6261 C.3 1 UNL1 -0.4039 22 C 1.5298 -0.6116 1.5423 C.ar 1 UNL1 0.1361 23 C -0.2805 3.7465 -0.5301 C.3 1 UNL1 -0.0712 24 C 0.6260 3.9986 0.6773 C.3 1 UNL1 -0.0790 25 O 1.5979 2.9921 0.8423 O.3 1 UNL1 -0.4191 26 C 2.6409 2.9945 -0.1266 C.3 1 UNL1 -0.0535 27 C 3.8198 2.3208 0.5852 C.3 1 UNL1 -0.0582 28 O 4.0521 1.1446 -0.1747 O.3 1 UNL1 -0.4114 29 C 5.1420 0.3732 0.3171 C.3 1 UNL1 -0.0603 30 C 5.2526 -0.7851 -0.6794 C.3 1 UNL1 -0.0681 31 O 6.6200 -0.7741 -1.0732 O.3 1 UNL1 -0.3903 32 C 6.9315 -1.8229 -1.9703 C.3 1 UNL1 -0.1972 33 H -6.4960 0.4743 1.3005 H 1 UNL1 0.3291 34 H -4.6807 0.2129 -1.5758 H 1 UNL1 0.3371 35 H -2.7668 -1.8562 -0.6007 H 1 UNL1 0.1415 36 H -2.6185 -1.9946 1.1928 H 1 UNL1 0.1609 37 H -3.3220 0.7058 1.0384 H 1 UNL1 0.1739 38 H -2.1064 -0.0300 -1.7142 H 1 UNL1 0.1886 39 H -3.2898 2.3656 -0.7909 H 1 UNL1 0.3401 40 H -0.1611 1.4065 -1.4312 H 1 UNL1 0.1669 41 H 0.0207 1.4526 1.4644 H 1 UNL1 0.1768 42 H 1.5879 -2.7435 -1.5764 H 1 UNL1 0.3462 43 H 4.2945 -2.3204 2.2659 H 1 UNL1 0.1710 44 H 3.4686 -1.1497 3.3131 H 1 UNL1 0.1480 45 H 2.9005 -2.8275 3.2186 H 1 UNL1 0.1651 46 H 1.4478 0.0475 2.4176 H 1 UNL1 0.1773 47 H -0.9314 4.6210 -0.7340 H 1 UNL1 0.1469 48 H 0.2877 3.5056 -1.4435 H 1 UNL1 0.1361 49 H 0.0548 3.9199 1.6262 H 1 UNL1 0.1587 50 H 1.1018 4.9935 0.6276 H 1 UNL1 0.1261 51 H 2.8811 4.0172 -0.4538 H 1 UNL1 0.1208 52 H 2.3058 2.3935 -0.9950 H 1 UNL1 0.1473 53 H 3.5605 2.0525 1.6271 H 1 UNL1 0.1366 54 H 4.7245 2.9513 0.5815 H 1 UNL1 0.1218 55 H 4.9140 0.0299 1.3396 H 1 UNL1 0.1222 56 H 6.0671 0.9804 0.3229 H 1 UNL1 0.1391 57 H 4.6071 -0.6145 -1.5624 H 1 UNL1 0.1408 58 H 5.0050 -1.7596 -0.2221 H 1 UNL1 0.1380 59 H 8.0042 -1.6839 -2.1517 H 1 UNL1 0.1427 60 H 6.7452 -2.8003 -1.5127 H 1 UNL1 0.1276 61 H 6.3705 -1.7174 -2.9039 H 1 UNL1 0.1223 @BOND 1 61 32 1 2 59 32 1 3 32 60 1 4 32 31 1 5 38 9 1 6 16 15 2 7 4 34 1 8 4 1 1 9 42 17 1 10 57 30 1 11 48 23 1 12 40 11 1 13 10 9 1 14 10 39 1 15 31 30 1 16 52 26 1 17 9 11 1 18 9 7 1 19 47 23 1 20 17 15 ar 21 17 18 ar 22 15 14 ar 23 30 58 1 24 30 29 1 25 35 6 1 26 11 12 1 27 11 13 1 28 23 12 1 29 23 24 1 30 51 26 1 31 28 29 1 32 28 27 1 33 26 27 1 34 26 25 1 35 1 2 2 36 1 3 1 37 1 5 1 38 19 18 2 39 29 56 1 40 29 55 1 41 18 20 ar 42 6 7 1 43 6 5 1 44 6 36 1 45 7 37 1 46 7 8 1 47 14 13 1 48 14 22 ar 49 3 33 1 50 54 27 1 51 27 53 1 52 50 24 1 53 24 25 1 54 24 49 1 55 13 8 1 56 13 41 1 57 20 22 ar 58 20 21 1 59 22 46 1 60 43 21 1 61 21 45 1 62 21 44 1