@MOLECULE (2r,3r,4r,5r)-5-({[{[{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2-[4-(hydrazinocarbonyl)-1-pyridiniumyl]-4-hydroxytetrahydro-3-furanolate 73 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -2.8570 -1.7589 -1.3575 P.3 1 UNL1 0.3967 2 P -4.9005 -0.6163 0.6401 P.3 1 UNL1 0.3903 3 O 0.5588 -3.2518 -0.6809 O.3 1 UNL1 -0.3701 4 O -2.2182 3.5193 1.2999 O.3 1 UNL1 -0.3438 5 O 0.8027 -4.6609 2.4071 O.3 1 UNL1 -0.5324 6 O 2.9846 -4.3498 1.1234 O.3 1 UNL1 -0.5232 7 O -3.5187 4.0538 -1.4084 O.3 1 UNL1 -0.5498 8 O -2.2617 -2.8202 -0.3083 O.3 1 UNL1 -0.3194 9 O -1.2572 3.0929 -2.3510 O.2 1 UNL1 -0.4605 10 O -4.5335 0.9188 0.7596 O.3 1 UNL1 -0.1917 11 O -4.1047 -1.1905 -0.5843 O.3 1 UNL1 -0.3147 12 O -3.5503 -2.7486 -2.3746 O.3 1 UNL1 -0.2146 13 O -4.2585 -1.2490 1.9551 O.3 1 UNL1 -0.3872 14 O -1.9999 -0.7627 -1.9636 O.2 1 UNL1 -0.2345 15 O -6.3162 -0.7762 0.3943 O.2 1 UNL1 -0.1796 16 O 4.0808 1.3754 3.3569 O.2 1 UNL1 -0.5239 17 N 2.1446 -1.5928 -0.8480 N.ar 1 UNL1 -0.3882 18 N 0.0494 3.3229 0.9983 N.pl3 1 UNL1 0.1329 19 N 1.7305 0.5777 -1.4038 N.ar 1 UNL1 -0.3448 20 N 4.5379 -1.6873 -1.5229 N.ar 1 UNL1 -0.4865 21 N 5.3486 0.4259 -2.3881 N.ar 1 UNL1 -0.5657 22 N 4.0137 2.3570 -2.5202 N.pl3 1 UNL1 -0.5569 23 N 4.6980 1.3749 1.1639 N.am 1 UNL1 -0.4766 24 N 5.8355 0.5599 1.4411 N.3 1 UNL1 -0.4350 25 C 0.8179 -3.4494 1.7105 C.3 1 UNL1 0.0465 26 C 2.2068 -3.1811 1.0699 C.3 1 UNL1 0.0265 27 C -0.1663 -3.4908 0.5226 C.3 1 UNL1 0.0062 28 C 1.9157 -2.9778 -0.4430 C.3 1 UNL1 0.2661 29 C -3.1258 2.7758 -0.9517 C.3 1 UNL1 -0.0116 30 C -3.2303 2.8143 0.5745 C.3 1 UNL1 0.0506 31 C -1.7604 2.3891 -1.5077 C.2 1 UNL1 0.3312 32 C -1.1016 3.8623 0.6048 C.3 1 UNL1 -0.1142 33 C -1.2793 -2.4413 0.6639 C.3 1 UNL1 -0.0264 34 C -3.2460 1.3978 1.2011 C.3 1 UNL1 -0.0744 35 C 3.3343 -1.0880 -1.3537 C.ar 1 UNL1 0.2887 36 C 1.1941 -0.5405 -0.9287 C.ar 1 UNL1 0.1541 37 C 3.0643 0.2848 -1.6797 C.ar 1 UNL1 -0.2261 38 C 1.2485 3.7674 0.4329 C.2 1 UNL1 -0.2307 39 C 0.1085 2.3315 1.9749 C.2 1 UNL1 -0.2679 40 C 2.4571 3.2212 0.8064 C.2 1 UNL1 0.0114 41 C 1.3174 1.7871 2.3663 C.2 1 UNL1 0.0149 42 C 4.1389 1.0331 -2.2237 C.ar 1 UNL1 0.4468 43 C 2.5090 2.2087 1.7732 C.3 1 UNL1 -0.2975 44 C 5.4910 -0.8774 -2.0276 C.ar 1 UNL1 0.3060 45 C 3.7796 1.6047 2.2027 C.2 1 UNL1 0.5769 46 H 0.5522 -2.7086 2.4919 H 1 UNL1 0.1589 47 H 2.7571 -2.3363 1.5298 H 1 UNL1 0.1608 48 H -0.6002 -4.5073 0.3696 H 1 UNL1 0.1684 49 H 2.5105 -3.6731 -1.0979 H 1 UNL1 0.1984 50 H -3.8999 2.0685 -1.3650 H 1 UNL1 0.1935 51 H -4.1489 3.3913 0.8600 H 1 UNL1 0.1755 52 H -1.2851 1.4664 -1.1604 H 1 UNL1 0.1478 53 H -1.1989 4.6537 -0.1200 H 1 UNL1 0.1925 54 H -0.8723 -1.4118 0.6045 H 1 UNL1 0.1358 55 H -1.7949 -2.5576 1.6447 H 1 UNL1 0.1336 56 H -3.2576 1.4679 2.3095 H 1 UNL1 0.1415 57 H -2.3624 0.8137 0.8931 H 1 UNL1 0.1409 58 H 1.1852 -5.3851 1.8521 H 1 UNL1 0.3362 59 H 3.3215 -4.4961 2.0384 H 1 UNL1 0.3350 60 H 0.1582 -0.6780 -0.6529 H 1 UNL1 0.2157 61 H -2.8958 4.3746 -2.1059 H 1 UNL1 0.3383 62 H 1.1788 4.5503 -0.3204 H 1 UNL1 0.1835 63 H -0.8297 2.0357 2.4396 H 1 UNL1 0.1869 64 H 3.3797 3.5890 0.3466 H 1 UNL1 0.1706 65 H 1.3413 1.0235 3.1500 H 1 UNL1 0.1668 66 H 6.4947 -1.3153 -2.1714 H 1 UNL1 0.2036 67 H -4.1947 -3.3648 -1.8481 H 1 UNL1 0.3095 68 H -4.2215 -2.2652 1.8527 H 1 UNL1 0.3223 69 H 3.0918 2.7602 -2.5235 H 1 UNL1 0.3286 70 H 4.7551 2.8413 -2.9890 H 1 UNL1 0.3215 71 H 4.3344 1.1584 0.2366 H 1 UNL1 0.3174 72 H 5.9631 0.4996 2.4551 H 1 UNL1 0.2679 73 H 6.6449 1.0590 1.0614 H 1 UNL1 0.2503 @BOND 1 70 22 1 2 69 22 1 3 22 42 1 4 21 42 ar 5 21 44 ar 6 12 67 1 7 12 1 1 8 9 31 2 9 42 37 ar 10 66 44 1 11 61 7 1 12 44 20 ar 13 14 1 2 14 37 19 ar 15 37 35 ar 16 20 35 ar 17 31 52 1 18 31 29 1 19 7 29 1 20 19 36 ar 21 50 29 1 22 1 11 1 23 1 8 1 24 35 17 ar 25 49 28 1 26 29 30 1 27 36 17 ar 28 36 60 1 29 17 28 1 30 3 28 1 31 3 27 1 32 11 2 1 33 28 26 1 34 62 38 1 35 8 33 1 36 53 32 1 37 71 23 1 38 64 40 1 39 48 27 1 40 15 2 2 41 38 40 2 42 38 18 1 43 27 33 1 44 27 25 1 45 30 51 1 46 30 34 1 47 30 4 1 48 54 33 1 49 32 18 1 50 32 4 1 51 2 10 1 52 2 13 1 53 33 55 1 54 10 34 1 55 40 43 1 56 57 34 1 57 18 39 1 58 73 24 1 59 26 6 1 60 26 47 1 61 26 25 1 62 6 59 1 63 23 24 1 64 23 45 am 65 34 56 1 66 24 72 1 67 25 5 1 68 25 46 1 69 43 45 1 70 43 41 1 71 58 5 1 72 68 13 1 73 39 41 2 74 39 63 1 75 45 16 2 76 41 65 1