@MOLECULE [(2r,3s,4r,5r)-5-[3-(aminomethyl)pyridin-1-ium-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphate 72 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 4.0649 -0.5189 0.9853 P.3 1 UNL1 0.2409 2 P 3.4106 2.2022 -0.3279 P.3 1 UNL1 0.1953 3 O -0.4573 -1.9181 2.7841 O.3 1 UNL1 -0.3879 4 O 0.0427 2.1431 -2.6474 O.3 1 UNL1 -0.3266 5 O 0.6942 -4.2704 1.1609 O.3 1 UNL1 -0.5378 6 O -1.1951 -3.3902 -0.3618 O.3 1 UNL1 -0.5436 7 O -2.2234 3.8572 -1.6596 O.3 1 UNL1 -0.5500 8 O -3.3281 1.6611 -2.5037 O.3 1 UNL1 -0.5261 9 O 2.5664 -1.0972 1.1379 O.3 1 UNL1 -0.3794 10 O 1.9457 1.7351 -0.9072 O.3 1 UNL1 -0.3918 11 O 4.0224 0.7177 0.0421 O.3 1 UNL1 -0.1455 12 O 4.5265 -0.1149 2.4672 O.3 1 UNL1 -0.3777 13 O 4.8410 -1.6362 0.4455 O.2 1 UNL1 -0.2264 14 O 4.1919 2.3220 -1.5675 O.2 1 UNL1 -0.1977 15 O 3.2700 3.1017 0.8189 O.3 1 UNL1 -0.3432 16 N -2.4298 -1.2323 1.7606 N.ar 1 UNL1 -0.3754 17 N -0.4436 -0.1416 -2.7976 N.pl3 1 UNL1 -0.1777 18 N -4.5484 -0.3804 1.8239 N.ar 1 UNL1 -0.3310 19 N -1.1921 0.8970 2.1710 N.ar 1 UNL1 -0.4890 20 N -2.6598 2.7923 2.4987 N.ar 1 UNL1 -0.5867 21 N -4.9906 2.6535 2.3701 N.pl3 1 UNL1 -0.5545 22 N -3.1759 -3.3036 -2.5315 N.3 1 UNL1 -0.6428 23 C 0.7543 -2.8786 0.9416 C.3 1 UNL1 0.0952 24 C -0.6402 -2.4130 0.4605 C.3 1 UNL1 0.0542 25 C 0.8793 -2.1452 2.2958 C.3 1 UNL1 0.0310 26 C -1.4054 -2.2763 1.8072 C.3 1 UNL1 0.2382 27 C -1.6205 2.7347 -1.0563 C.3 1 UNL1 0.0423 28 C -2.1206 1.4870 -1.8400 C.3 1 UNL1 0.0541 29 C -0.1113 2.7673 -1.3548 C.3 1 UNL1 0.0236 30 C -0.9904 1.2648 -2.8983 C.3 1 UNL1 0.1732 31 C 1.6020 -0.7876 2.1369 C.3 1 UNL1 -0.0205 32 C 0.7062 1.9859 -0.3015 C.3 1 UNL1 -0.0199 33 C -2.2973 0.1251 2.0102 C.ar 1 UNL1 0.3018 34 C -3.8277 -1.4879 1.6759 C.ar 1 UNL1 0.1221 35 C -1.3215 -1.1654 -3.0443 C.2 1 UNL1 -0.0423 36 C 0.8513 -0.3864 -2.4864 C.2 1 UNL1 0.0974 37 C -3.6386 0.6491 2.0426 C.ar 1 UNL1 -0.2180 38 C -0.9125 -2.4868 -2.9487 C.2 1 UNL1 -0.0236 39 C 1.2965 -1.7108 -2.3696 C.2 1 UNL1 -0.1779 40 C 0.4214 -2.7620 -2.5885 C.3 1 UNL1 -0.0465 41 C -3.7827 2.0355 2.3125 C.ar 1 UNL1 0.4588 42 C -1.8894 -3.6042 -3.2052 C.3 1 UNL1 -0.1185 43 C -1.4426 2.1919 2.4392 C.ar 1 UNL1 0.2772 44 H 1.5565 -2.6648 0.2044 H 1 UNL1 0.1730 45 H -0.5751 -1.4455 -0.0807 H 1 UNL1 0.1302 46 H 1.3388 -2.7793 3.0796 H 1 UNL1 0.1560 47 H -1.8774 -3.2399 2.1285 H 1 UNL1 0.1664 48 H -1.8670 2.6913 0.0198 H 1 UNL1 0.1510 49 H -2.2917 0.6133 -1.1761 H 1 UNL1 0.1605 50 H 0.2916 3.7859 -1.5432 H 1 UNL1 0.1886 51 H -1.3169 1.4320 -3.9529 H 1 UNL1 0.1733 52 H 0.9215 -0.0095 1.7333 H 1 UNL1 0.1554 53 H 1.9996 -0.4395 3.1062 H 1 UNL1 0.1386 54 H 0.2599 0.9895 -0.0956 H 1 UNL1 0.1138 55 H 0.7332 2.5557 0.6524 H 1 UNL1 0.1487 56 H 1.5951 -4.6031 1.3662 H 1 UNL1 0.3209 57 H -2.0665 -3.0991 -0.7285 H 1 UNL1 0.3410 58 H -2.6233 4.4403 -0.9791 H 1 UNL1 0.3387 59 H -3.4459 2.6160 -2.7588 H 1 UNL1 0.3543 60 H -4.2160 -2.4788 1.4937 H 1 UNL1 0.1993 61 H -2.3543 -0.8897 -3.3006 H 1 UNL1 0.1988 62 H 1.5496 0.4860 -2.3145 H 1 UNL1 0.2965 63 H 2.3463 -1.8820 -2.0766 H 1 UNL1 0.2298 64 H 0.7487 -3.7992 -2.4592 H 1 UNL1 0.1868 65 H -1.9942 -3.7687 -4.3023 H 1 UNL1 0.1362 66 H -1.4924 -4.5619 -2.7782 H 1 UNL1 0.1778 67 H -0.5655 2.8453 2.6218 H 1 UNL1 0.2174 68 H 4.4060 0.8932 2.5922 H 1 UNL1 0.3233 69 H -5.0590 3.6212 2.6212 H 1 UNL1 0.3239 70 H -5.8316 2.1149 2.2733 H 1 UNL1 0.3290 71 H -3.7307 -2.6322 -3.0380 H 1 UNL1 0.2554 72 H -3.7242 -4.1392 -2.3901 H 1 UNL1 0.2676 @BOND 1 65 42 1 2 51 30 1 3 61 35 1 4 42 38 1 5 42 66 1 6 42 22 1 7 35 38 2 8 35 17 1 9 71 22 1 10 38 40 1 11 30 17 1 12 30 4 1 13 30 28 1 14 17 36 1 15 59 8 1 16 4 29 1 17 40 64 1 18 40 39 1 19 22 72 1 20 8 28 1 21 36 39 2 22 36 62 1 23 39 63 1 24 28 49 1 25 28 27 1 26 7 27 1 27 7 58 1 28 14 2 2 29 50 29 1 30 29 27 1 31 29 32 1 32 27 48 1 33 10 2 1 34 10 32 1 35 57 6 1 36 6 24 1 37 2 11 1 38 2 15 1 39 32 54 1 40 32 55 1 41 45 24 1 42 11 1 1 43 44 23 1 44 13 1 2 45 24 23 1 46 24 26 1 47 23 5 1 48 23 25 1 49 1 9 1 50 1 12 1 51 9 31 1 52 5 56 1 53 60 34 1 54 34 16 ar 55 34 18 ar 56 52 31 1 57 16 26 1 58 16 33 ar 59 26 47 1 60 26 3 1 61 18 37 ar 62 33 37 ar 63 33 19 ar 64 37 41 ar 65 31 25 1 66 31 53 1 67 19 43 ar 68 70 21 1 69 25 3 1 70 25 46 1 71 41 21 1 72 41 20 ar 73 21 69 1 74 43 20 ar 75 43 67 1 76 12 68 1