@MOLECULE 4'-methylthymidine 5'-(tetrahydrogen triphosphate) 49 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.5010 2.4897 1.9866 C.3 1 UNL1 -0.4652 2 N 4.1104 0.2385 0.3137 N.ar 1 UNL1 -0.4909 3 O -2.6502 0.3177 -1.6019 O.3 1 UNL1 -0.1800 4 P -1.9878 1.5594 -0.8864 P.3 1 UNL1 0.3843 5 C 3.5315 -0.3765 -0.8139 C.ar 1 UNL1 0.7142 6 O 2.5998 0.1106 -1.4195 O.2 1 UNL1 -0.5259 7 P -3.2382 -1.1467 -1.4377 P.3 1 UNL1 0.4158 8 N 4.1067 -1.5768 -1.2415 N.ar 1 UNL1 -0.6324 9 O -3.8677 -1.0781 -0.0084 O.3 1 UNL1 -0.3130 10 P -4.0524 -1.2429 1.5364 P.3 1 UNL1 0.4119 11 C 5.1961 -2.2220 -0.5961 C.ar 1 UNL1 0.6009 12 O 5.5818 -3.2628 -1.0737 O.2 1 UNL1 -0.4706 13 C 5.7178 -1.5290 0.5778 C.ar 1 UNL1 -0.2230 14 O -4.8555 -0.1438 2.0296 O.2 1 UNL1 -0.2244 15 C 5.1548 -0.3713 1.0016 C.ar 1 UNL1 0.1039 16 O -4.6852 -2.6688 1.7823 O.3 1 UNL1 -0.2635 17 O -2.5820 -1.4379 2.1223 O.3 1 UNL1 -0.4147 18 O -2.0250 -2.1612 -1.3983 O.3 1 UNL1 -0.3359 19 O -4.1735 -1.4117 -2.5020 O.2 1 UNL1 -0.1325 20 C 3.4375 1.4149 0.9225 C.3 1 UNL1 0.3299 21 O -1.2597 2.3479 -1.8620 O.2 1 UNL1 -0.2358 22 O -3.1250 2.3765 -0.1550 O.3 1 UNL1 -0.2840 23 C 3.1865 2.5421 -0.0839 C.3 1 UNL1 -0.3688 24 C 1.6635 2.5433 -0.3030 C.3 1 UNL1 0.1308 25 O 1.2576 3.8863 -0.1657 O.3 1 UNL1 -0.5654 26 C 1.0857 1.6715 0.8480 C.3 1 UNL1 0.2098 27 O 2.2058 0.9637 1.4200 O.3 1 UNL1 -0.4674 28 C 0.1469 0.5376 0.3716 C.3 1 UNL1 -0.0380 29 O -1.2107 0.9778 0.4019 O.3 1 UNL1 -0.3548 30 C 6.8674 -2.1594 1.2711 C.3 1 UNL1 -0.4096 31 H -0.4224 3.0070 1.6933 H 1 UNL1 0.1759 32 H 0.2642 1.8532 2.8470 H 1 UNL1 0.1530 33 H 1.2058 3.2631 2.3185 H 1 UNL1 0.1569 34 H 3.7099 -2.0128 -2.0783 H 1 UNL1 0.3457 35 H 5.5120 0.1547 1.8974 H 1 UNL1 0.1743 36 H -4.0370 -3.3804 1.4110 H 1 UNL1 0.3105 37 H -2.0199 -0.6075 1.9074 H 1 UNL1 0.3379 38 H -1.3094 -1.8399 -0.7425 H 1 UNL1 0.3159 39 H 4.0272 1.7322 1.8180 H 1 UNL1 0.1384 40 H -3.6824 1.7417 0.4428 H 1 UNL1 0.3379 41 H 3.5095 3.5234 0.3168 H 1 UNL1 0.1788 42 H 3.7303 2.4060 -1.0342 H 1 UNL1 0.1790 43 H 1.3838 2.1734 -1.3143 H 1 UNL1 0.1651 44 H 0.3321 3.9835 -0.4804 H 1 UNL1 0.3389 45 H 0.5013 0.1033 -0.5855 H 1 UNL1 0.1574 46 H 0.1241 -0.2747 1.1347 H 1 UNL1 0.1363 47 H 7.4486 -2.8059 0.5907 H 1 UNL1 0.1787 48 H 7.5682 -1.4245 1.6889 H 1 UNL1 0.1516 49 H 6.5309 -2.8088 2.0952 H 1 UNL1 0.1621 @BOND 1 19 7 2 2 34 8 1 3 21 4 2 4 3 7 1 5 3 4 1 6 7 18 1 7 7 9 1 8 6 5 2 9 18 38 1 10 43 24 1 11 8 5 ar 12 8 11 ar 13 12 11 2 14 42 23 1 15 4 22 1 16 4 29 1 17 5 2 ar 18 11 13 ar 19 45 28 1 20 44 25 1 21 24 25 1 22 24 23 1 23 24 26 1 24 22 40 1 25 23 41 1 26 23 20 1 27 9 10 1 28 2 20 1 29 2 15 ar 30 28 29 1 31 28 26 1 32 28 46 1 33 13 15 ar 34 13 30 1 35 47 30 1 36 26 27 1 37 26 1 1 38 20 27 1 39 20 39 1 40 15 35 1 41 30 48 1 42 30 49 1 43 36 16 1 44 10 16 1 45 10 14 2 46 10 17 1 47 31 1 1 48 37 17 1 49 1 33 1 50 1 32 1