@MOLECULE [(2r,3s,4r,5r)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4r,5r)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphate 71 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 3.6372 0.3674 1.6273 P.3 1 UNL1 0.2350 2 P 2.0691 2.9065 0.8025 P.3 1 UNL1 0.2166 3 O 0.8960 -3.3307 1.7064 O.3 1 UNL1 -0.3975 4 O 0.6733 -0.0371 -1.5866 O.3 1 UNL1 -0.3768 5 O 0.0902 -4.2241 -1.2033 O.3 1 UNL1 -0.5511 6 O 2.4140 -3.1269 -1.5047 O.3 1 UNL1 -0.5441 7 O 2.2128 -0.9095 -3.9431 O.3 1 UNL1 -0.5547 8 O -0.2145 -0.5014 -4.8339 O.3 1 UNL1 -0.5352 9 O 2.5699 -0.8750 1.4608 O.3 1 UNL1 -0.3739 10 O 1.2605 2.3049 -0.4874 O.3 1 UNL1 -0.3718 11 O 2.5939 1.5275 1.5472 O.3 1 UNL1 -0.1349 12 O 3.9487 0.3258 3.2063 O.3 1 UNL1 -0.3675 13 O 4.8493 0.1625 0.8411 O.2 1 UNL1 -0.2734 14 O 3.1159 3.8431 0.4176 O.2 1 UNL1 -0.2810 15 O 0.9745 3.0463 1.7862 O.3 1 UNL1 -0.2542 16 N -0.9541 -1.9637 1.4029 N.ar 1 UNL1 -0.3273 17 N -1.3940 0.9672 -1.9457 N.pl3 1 UNL1 -0.0513 18 N -1.4033 0.0906 2.2495 N.ar 1 UNL1 -0.3657 19 N -3.2094 -2.5270 0.5222 N.ar 1 UNL1 -0.3766 20 N -4.8086 -0.8226 0.9253 N.ar 1 UNL1 -0.2988 21 N -4.5190 1.2127 1.8919 N.ar 1 UNL1 -0.4000 22 N -1.9911 2.7995 1.1270 N.pl3 1 UNL1 -0.4660 23 C 0.1614 -2.9835 -0.5470 C.3 1 UNL1 0.0216 24 C 1.6634 -2.6016 -0.4528 C.3 1 UNL1 0.1030 25 C -0.2576 -3.1714 0.9388 C.3 1 UNL1 0.2535 26 C 2.0926 -3.1335 0.9266 C.3 1 UNL1 0.0228 27 C 1.7519 0.3731 -3.6122 C.3 1 UNL1 0.0557 28 C 0.2108 0.4183 -3.8814 C.3 1 UNL1 0.0467 29 C 1.8333 0.6493 -2.1026 C.3 1 UNL1 0.0208 30 C -0.3797 0.0088 -2.4964 C.3 1 UNL1 0.1615 31 C 2.9949 -2.2050 1.7554 C.3 1 UNL1 -0.0223 32 C 1.7992 2.1563 -1.7801 C.3 1 UNL1 -0.0279 33 C -2.3007 -1.7177 1.1599 C.ar 1 UNL1 0.0987 34 C -0.4450 -0.8353 2.0622 C.ar 1 UNL1 0.2119 35 C -2.5647 -0.4219 1.7040 C.ar 1 UNL1 -0.0214 36 C -1.2360 1.4329 -0.7020 C.2 1 UNL1 -0.0819 37 C -2.5048 1.2518 -2.6848 C.2 1 UNL1 -0.1936 38 C -3.8866 0.0737 1.5749 C.ar 1 UNL1 0.2585 39 C -2.2197 2.2869 -0.1008 C.2 1 UNL1 0.2547 40 C -3.5092 2.0517 -2.1344 C.2 1 UNL1 -0.0746 41 C -4.4377 -2.0753 0.4285 C.ar 1 UNL1 0.2072 42 C -3.3881 2.5631 -0.8558 C.3 1 UNL1 -0.2665 43 C -6.0444 -0.1667 0.8893 C.ar 1 UNL1 -0.1574 44 C -5.8408 1.0740 1.4875 C.ar 1 UNL1 -0.0117 45 H -0.4506 -2.2419 -1.0887 H 1 UNL1 0.1337 46 H 1.8286 -1.5002 -0.5459 H 1 UNL1 0.2066 47 H -0.8979 -4.0689 1.1295 H 1 UNL1 0.1729 48 H 2.5419 -4.1485 0.8476 H 1 UNL1 0.1439 49 H 2.3325 1.0539 -4.2613 H 1 UNL1 0.1671 50 H -0.1418 1.4032 -4.2438 H 1 UNL1 0.1594 51 H 2.6725 0.1271 -1.5865 H 1 UNL1 0.2049 52 H -0.8481 -1.0079 -2.5140 H 1 UNL1 0.1705 53 H 4.0569 -2.4245 1.5070 H 1 UNL1 0.1466 54 H 2.8315 -2.3975 2.8398 H 1 UNL1 0.1391 55 H 2.8115 2.5898 -1.9432 H 1 UNL1 0.1552 56 H 1.0833 2.6968 -2.4345 H 1 UNL1 0.1037 57 H -0.8465 -4.4807 -1.3496 H 1 UNL1 0.3371 58 H 2.1989 -4.0754 -1.6609 H 1 UNL1 0.3388 59 H 0.6044 -0.7431 2.3661 H 1 UNL1 0.2654 60 H 2.1982 -1.5205 -3.1589 H 1 UNL1 0.3581 61 H 0.4748 -1.2120 -4.9515 H 1 UNL1 0.3554 62 H -0.3261 1.1433 -0.1128 H 1 UNL1 0.2866 63 H -2.5842 0.8335 -3.6903 H 1 UNL1 0.1966 64 H -4.3992 2.2660 -2.7314 H 1 UNL1 0.1717 65 H -5.2140 -2.6867 -0.0558 H 1 UNL1 0.2081 66 H -4.1779 3.1721 -0.4179 H 1 UNL1 0.1866 67 H -6.9232 -0.6076 0.4687 H 1 UNL1 0.1886 68 H -6.5449 1.8703 1.6593 H 1 UNL1 0.1898 69 H -1.1281 2.5395 1.6152 H 1 UNL1 0.3620 70 H -2.7626 3.0899 1.7055 H 1 UNL1 0.3255 71 H 3.2082 0.8361 3.6964 H 1 UNL1 0.3169 @BOND 1 61 8 1 2 8 28 1 3 49 27 1 4 50 28 1 5 7 27 1 6 7 60 1 7 28 27 1 8 28 30 1 9 63 37 1 10 27 29 1 11 64 40 1 12 37 40 2 13 37 17 1 14 52 30 1 15 30 17 1 16 30 4 1 17 56 32 1 18 40 42 1 19 29 32 1 20 29 4 1 21 29 51 1 22 17 36 1 23 55 32 1 24 32 10 1 25 58 6 1 26 6 24 1 27 57 5 1 28 5 23 1 29 45 23 1 30 42 66 1 31 42 39 1 32 36 62 1 33 36 39 2 34 23 24 1 35 23 25 1 36 46 24 1 37 10 2 1 38 24 26 1 39 39 22 1 40 65 41 1 41 14 2 2 42 41 19 ar 43 41 20 ar 44 67 43 1 45 19 33 ar 46 2 11 1 47 2 15 1 48 13 1 2 49 48 26 1 50 43 20 ar 51 43 44 ar 52 20 38 ar 53 26 3 1 54 26 31 1 55 25 47 1 56 25 16 1 57 25 3 1 58 22 69 1 59 22 70 1 60 33 16 ar 61 33 35 ar 62 16 34 ar 63 9 1 1 64 9 31 1 65 44 68 1 66 44 21 ar 67 53 31 1 68 11 1 1 69 38 35 ar 70 38 21 ar 71 1 12 1 72 35 18 ar 73 31 54 1 74 34 18 ar 75 34 59 1 76 12 71 1