@MOLECULE thymidine 3',5'-bis(dihydrogen phosphate) 41 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -4.3923 -0.3339 0.2988 P.3 1 UNL1 0.3630 2 P 1.1256 3.3428 0.0065 P.3 1 UNL1 0.3507 3 O -0.2723 -0.4557 -1.4450 O.3 1 UNL1 -0.3979 4 O -3.0803 -1.1373 -0.1716 O.3 1 UNL1 -0.3666 5 O 0.3617 2.0348 -0.4744 O.3 1 UNL1 -0.2125 6 O -5.4681 -1.4578 -0.0568 O.3 1 UNL1 -0.3425 7 O -4.6448 0.7055 -0.8722 O.3 1 UNL1 -0.2839 8 O 1.1875 -3.9139 0.2463 O.2 1 UNL1 -0.5417 9 O -4.3968 0.2754 1.6125 O.2 1 UNL1 -0.2504 10 O 2.2936 2.7614 0.9231 O.3 1 UNL1 -0.3259 11 O 0.2233 4.0408 1.1321 O.3 1 UNL1 -0.4332 12 O 5.1607 -1.8647 0.9496 O.2 1 UNL1 -0.4812 13 O 1.4849 4.1315 -1.1562 O.2 1 UNL1 -0.2459 14 N 1.4199 -1.7812 -0.5511 N.ar 1 UNL1 -0.5199 15 N 3.1946 -2.8847 0.5948 N.ar 1 UNL1 -0.6307 16 C -1.7783 -0.8830 0.3549 C.3 1 UNL1 0.1292 17 C -1.0551 0.2180 -0.4623 C.3 1 UNL1 0.0441 18 C -1.0206 -2.1817 -0.0014 C.3 1 UNL1 -0.3748 19 C 0.0137 -1.7738 -1.0611 C.3 1 UNL1 0.3254 20 C -0.1607 1.0626 0.4619 C.3 1 UNL1 -0.0883 21 C 2.2494 -0.6916 -0.7905 C.ar 1 UNL1 0.1253 22 C 1.8907 -2.9322 0.1048 C.ar 1 UNL1 0.6989 23 C 3.5177 -0.6499 -0.3100 C.ar 1 UNL1 -0.2406 24 C 4.0663 -1.7661 0.4456 C.ar 1 UNL1 0.6032 25 C 4.3942 0.5312 -0.5047 C.3 1 UNL1 -0.4017 26 H -1.7695 -0.6868 1.4497 H 1 UNL1 0.1436 27 H -1.7159 0.8582 -1.0899 H 1 UNL1 0.1821 28 H -0.5831 -2.6558 0.8942 H 1 UNL1 0.1895 29 H -1.7148 -2.9457 -0.4103 H 1 UNL1 0.1882 30 H -0.0220 -2.3710 -2.0049 H 1 UNL1 0.1556 31 H 0.6613 0.4628 0.9007 H 1 UNL1 0.1464 32 H -0.7669 1.5063 1.2789 H 1 UNL1 0.1491 33 H 1.8168 0.1340 -1.3852 H 1 UNL1 0.2155 34 H 3.5436 -3.7136 1.0822 H 1 UNL1 0.3450 35 H 4.2638 1.2582 0.3163 H 1 UNL1 0.1690 36 H 4.1793 1.0691 -1.4392 H 1 UNL1 0.1586 37 H 5.4607 0.2550 -0.5186 H 1 UNL1 0.1669 38 H -5.2571 -2.3026 0.4859 H 1 UNL1 0.3227 39 H -4.7819 0.1869 -1.7537 H 1 UNL1 0.3151 40 H 2.5575 3.4798 1.6094 H 1 UNL1 0.3201 41 H -0.4959 4.6116 0.6936 H 1 UNL1 0.3305 @BOND 1 30 19 1 2 39 7 1 3 3 19 1 4 3 17 1 5 36 25 1 6 33 21 1 7 13 2 2 8 27 17 1 9 19 14 1 10 19 18 1 11 7 1 1 12 21 14 ar 13 21 23 ar 14 14 22 ar 15 37 25 1 16 25 23 1 17 25 35 1 18 5 2 1 19 5 20 1 20 17 16 1 21 17 20 1 22 29 18 1 23 23 24 ar 24 4 1 1 25 4 16 1 26 6 1 1 27 6 38 1 28 18 16 1 29 18 28 1 30 2 10 1 31 2 11 1 32 22 8 2 33 22 15 ar 34 1 9 2 35 16 26 1 36 24 15 ar 37 24 12 2 38 20 31 1 39 20 32 1 40 15 34 1 41 41 11 1 42 10 40 1