@MOLECULE n-(6-aminohexyl)cytidine 5'-(tetrahydrogen triphosphate) 65 66 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -2.7179 -1.1291 -2.2698 P.3 1 UNL1 0.3779 2 P -0.7710 -1.7990 0.0090 P.3 1 UNL1 0.3728 3 P -2.9464 -3.4029 1.4702 P.3 1 UNL1 0.3917 4 O -2.4879 1.4937 0.9448 O.3 1 UNL1 -0.4432 5 O -4.6388 3.8279 0.2448 O.3 1 UNL1 -0.5530 6 O -3.0737 4.3434 2.2125 O.3 1 UNL1 -0.5421 7 O -3.3922 0.1864 -1.6843 O.3 1 UNL1 -0.2607 8 O -0.6790 3.5705 -0.8677 O.2 1 UNL1 -0.5525 9 O -1.4836 -1.5515 -1.3827 O.3 1 UNL1 -0.2920 10 O -1.9126 -0.7251 -3.5813 O.3 1 UNL1 -0.3191 11 O -3.7643 -2.1137 -2.4642 O.2 1 UNL1 -0.2098 12 O -1.9188 -2.3317 0.9353 O.3 1 UNL1 -0.2448 13 O -0.5797 -0.3838 0.6760 O.3 1 UNL1 -0.3381 14 O 0.4637 -2.5104 -0.2374 O.2 1 UNL1 -0.1870 15 O -2.1211 -4.6448 2.0091 O.3 1 UNL1 -0.3100 16 O -3.7261 -4.0491 0.2519 O.3 1 UNL1 -0.3788 17 O -3.6953 -2.7281 2.5101 O.2 1 UNL1 -0.1856 18 N -0.3207 2.3585 1.0312 N.ar 1 UNL1 -0.5230 19 N 1.2773 2.3880 -0.7933 N.ar 1 UNL1 -0.6487 20 N 3.2315 1.2109 -0.7063 N.pl3 1 UNL1 -0.4946 21 N 11.5282 -0.9839 0.6825 N.3 1 UNL1 -0.6478 22 C -3.3069 3.4886 -0.0781 C.3 1 UNL1 0.0492 23 C -2.3682 3.8695 1.1004 C.3 1 UNL1 0.0614 24 C -3.2848 1.9470 -0.1517 C.3 1 UNL1 0.0768 25 C -1.7017 2.5281 1.5037 C.3 1 UNL1 0.2382 26 C -2.7107 1.4349 -1.4811 C.3 1 UNL1 -0.0671 27 C 0.4891 1.4813 1.7240 C.ar 1 UNL1 0.2085 28 C 0.0858 2.8240 -0.2923 C.ar 1 UNL1 0.7363 29 C 1.7103 1.1062 1.2354 C.ar 1 UNL1 -0.4347 30 C 2.0743 1.5607 -0.0805 C.ar 1 UNL1 0.5061 31 C 4.1913 0.2665 -0.1231 C.3 1 UNL1 -0.0702 32 C 5.5893 0.5226 -0.7110 C.3 1 UNL1 -0.3025 33 C 6.6433 -0.2399 0.1008 C.3 1 UNL1 -0.2645 34 C 8.0311 -0.0789 -0.5334 C.3 1 UNL1 -0.2737 35 C 9.1097 -0.6870 0.3679 C.3 1 UNL1 -0.2855 36 C 10.4962 -0.5485 -0.2859 C.3 1 UNL1 -0.1023 37 H -4.7698 4.7988 0.1765 H 1 UNL1 0.3295 38 H -3.9724 3.9334 2.2626 H 1 UNL1 0.3392 39 H -0.9341 -0.5218 -3.3224 H 1 UNL1 0.3250 40 H -1.4939 0.1107 0.7452 H 1 UNL1 0.3557 41 H -1.7231 -5.1547 1.2099 H 1 UNL1 0.3133 42 H -3.9085 -3.3329 -0.4673 H 1 UNL1 0.3554 43 H 3.3952 1.5323 -1.6536 H 1 UNL1 0.3292 44 H 12.4578 -0.8589 0.3188 H 1 UNL1 0.2481 45 H 11.4104 -1.9468 0.9515 H 1 UNL1 0.2459 46 H -3.0118 3.9871 -1.0240 H 1 UNL1 0.1605 47 H -1.6513 4.6852 0.8691 H 1 UNL1 0.1843 48 H -4.2867 1.4951 0.0635 H 1 UNL1 0.1895 49 H -1.7605 2.3501 2.6088 H 1 UNL1 0.1655 50 H -3.0237 2.0858 -2.3271 H 1 UNL1 0.1429 51 H -1.6050 1.4083 -1.4602 H 1 UNL1 0.1542 52 H 0.1177 1.1037 2.6891 H 1 UNL1 0.1752 53 H 2.3465 0.4288 1.7896 H 1 UNL1 0.1871 54 H 3.8593 -0.7792 -0.3305 H 1 UNL1 0.1538 55 H 4.2195 0.3860 0.9848 H 1 UNL1 0.1493 56 H 5.8179 1.6088 -0.6990 H 1 UNL1 0.1564 57 H 5.6259 0.2155 -1.7724 H 1 UNL1 0.1463 58 H 6.3815 -1.3130 0.1646 H 1 UNL1 0.1401 59 H 6.6612 0.1328 1.1436 H 1 UNL1 0.1428 60 H 8.2471 0.9928 -0.7077 H 1 UNL1 0.1417 61 H 8.0502 -0.5597 -1.5295 H 1 UNL1 0.1373 62 H 8.8885 -1.7488 0.5779 H 1 UNL1 0.1371 63 H 9.1219 -0.1823 1.3553 H 1 UNL1 0.1593 64 H 10.5297 -1.1157 -1.2395 H 1 UNL1 0.1065 65 H 10.6944 0.5186 -0.5325 H 1 UNL1 0.1414 @BOND 1 10 39 1 2 10 1 1 3 11 1 2 4 50 26 1 5 1 7 1 6 1 9 1 7 57 32 1 8 7 26 1 9 43 20 1 10 61 34 1 11 26 51 1 12 26 24 1 13 9 2 1 14 64 36 1 15 46 22 1 16 8 28 2 17 19 28 ar 18 19 30 ar 19 32 56 1 20 32 31 1 21 32 33 1 22 60 34 1 23 20 31 1 24 20 30 1 25 34 33 1 26 34 35 1 27 65 36 1 28 42 16 1 29 54 31 1 30 28 18 ar 31 36 35 1 32 36 21 1 33 14 2 2 34 24 22 1 35 24 48 1 36 24 4 1 37 31 55 1 38 30 29 ar 39 22 5 1 40 22 23 1 41 2 13 1 42 2 12 1 43 33 58 1 44 33 59 1 45 37 5 1 46 16 3 1 47 44 21 1 48 35 62 1 49 35 63 1 50 13 40 1 51 21 45 1 52 47 23 1 53 12 3 1 54 4 25 1 55 18 25 1 56 18 27 ar 57 23 25 1 58 23 6 1 59 41 15 1 60 29 27 ar 61 29 53 1 62 3 15 1 63 3 17 2 64 25 49 1 65 27 52 1 66 6 38 1