@MOLECULE cytidine 3',5'-bis(trihydrogen diphosphate) 50 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.0488 0.8062 0.3594 C.3 1 UNL1 0.0596 2 C 0.3986 2.5108 -1.2813 C.3 1 UNL1 0.2343 3 C 1.6057 2.0355 -0.4143 C.3 1 UNL1 0.0828 4 C -0.2711 0.4482 -0.3707 C.3 1 UNL1 0.0484 5 C -1.4895 0.4095 0.5596 C.3 1 UNL1 -0.0284 6 H 2.7359 0.7850 -1.4746 H 1 UNL1 0.3617 7 H -2.5914 6.8598 1.8380 H 1 UNL1 0.3262 8 H -2.7060 7.6298 0.3092 H 1 UNL1 0.3116 9 O 3.1680 -0.1516 2.4704 O.2 1 UNL1 -0.2020 10 O -0.3248 2.8049 1.3738 O.2 1 UNL1 -0.5185 11 O -0.9730 -2.8814 1.1593 O.2 1 UNL1 -0.2139 12 O 5.4179 -3.0773 -0.7582 O.2 1 UNL1 -0.2233 13 O -4.4775 -4.1778 -1.5659 O.2 1 UNL1 -0.1508 14 O 2.6316 1.7572 -1.3211 O.3 1 UNL1 -0.5619 15 O 2.1363 -2.3318 1.6318 O.3 1 UNL1 -0.2831 16 O -2.9303 -1.8979 2.4039 O.3 1 UNL1 -0.3320 17 O 5.9569 -0.6090 -0.8989 O.3 1 UNL1 -0.3150 18 O 3.7780 -1.3792 -1.9058 O.3 1 UNL1 -0.4247 19 O -4.3169 -1.6150 -1.9138 O.3 1 UNL1 -0.4149 20 O -5.6790 -2.5219 -0.0414 O.3 1 UNL1 -0.3541 21 O 1.8814 -0.3259 0.1401 O.3 1 UNL1 -0.3417 22 O 4.1515 -1.2206 0.5451 O.3 1 UNL1 -0.1409 23 O -2.2744 -0.7419 0.2424 O.3 1 UNL1 -0.3654 24 O -3.1668 -2.9492 0.0320 O.3 1 UNL1 -0.1575 25 C -0.6644 3.7379 0.6839 C.ar 1 UNL1 0.7228 26 C -1.7166 5.8123 0.2955 C.ar 1 UNL1 0.5064 27 H 1.3272 -2.4886 1.0058 H 1 UNL1 0.3371 28 H -3.8779 -1.5418 2.2426 H 1 UNL1 0.3161 29 H 5.5058 0.3103 -0.7923 H 1 UNL1 0.3221 30 H 3.9724 -1.8976 -2.7553 H 1 UNL1 0.3176 31 H -3.4692 -1.0775 -1.7107 H 1 UNL1 0.3495 32 H -6.0456 -1.6041 -0.3166 H 1 UNL1 0.3169 33 O -0.5213 1.4570 -1.3582 O.3 1 UNL1 -0.4372 34 N -2.3912 6.8607 0.8542 N.pl3 1 UNL1 -0.5836 35 C -0.7172 4.6830 -1.5745 C.ar 1 UNL1 0.1918 36 C -1.4176 5.7685 -1.1098 C.ar 1 UNL1 -0.4804 37 P 2.8011 -0.9423 1.3123 P.3 1 UNL1 0.3858 38 P -2.2123 -2.1451 1.0137 P.3 1 UNL1 0.3750 39 P 4.8523 -1.7467 -0.7784 P.3 1 UNL1 0.3710 40 P -4.4234 -2.8721 -0.9466 P.3 1 UNL1 0.3883 41 N -0.2985 3.6924 -0.7274 N.ar 1 UNL1 -0.5084 42 N -1.3601 4.8271 1.1362 N.ar 1 UNL1 -0.6300 43 H 0.8800 1.0729 1.4324 H 1 UNL1 0.1824 44 H 0.7000 2.7088 -2.3406 H 1 UNL1 0.1562 45 H 2.0168 2.8222 0.2530 H 1 UNL1 0.1643 46 H -0.1676 -0.4811 -0.9829 H 1 UNL1 0.1797 47 H -1.2173 0.5241 1.6278 H 1 UNL1 0.1561 48 H -2.2034 1.2275 0.3043 H 1 UNL1 0.1471 49 H -0.4643 4.5840 -2.6412 H 1 UNL1 0.1698 50 H -1.7375 6.5621 -1.7680 H 1 UNL1 0.1870 @BOND 1 30 18 1 2 49 35 1 3 44 2 1 4 19 31 1 5 19 40 1 6 18 39 1 7 50 36 1 8 35 36 ar 9 35 41 ar 10 13 40 2 11 6 14 1 12 33 2 1 13 33 4 1 14 14 3 1 15 2 41 1 16 2 3 1 17 36 26 ar 18 46 4 1 19 40 20 1 20 40 24 1 21 17 29 1 22 17 39 1 23 39 12 2 24 39 22 1 25 41 25 ar 26 3 45 1 27 3 1 1 28 4 1 1 29 4 5 1 30 32 20 1 31 24 38 1 32 21 1 1 33 21 37 1 34 23 5 1 35 23 38 1 36 26 34 1 37 26 42 ar 38 48 5 1 39 8 34 1 40 1 43 1 41 22 37 1 42 5 47 1 43 25 42 ar 44 25 10 2 45 34 7 1 46 27 15 1 47 38 11 2 48 38 16 1 49 37 15 1 50 37 9 2 51 28 16 1