@MOLECULE [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [5-(3-carbamoyl-3,4-dihydro-2h-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate 75 79 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5419 1.0678 -2.6697 O.3 1 UNL1111 -0.1420 2 P -0.5631 -0.0714 -2.8034 P.3 1 UNL1111 0.3703 3 P 1.4417 1.8530 -1.6163 P.3 1 UNL1111 0.3678 4 C 6.0777 1.0901 1.4769 C.3 1 UNL1111 0.2391 5 C 5.8195 2.5577 1.0424 C.3 1 UNL1111 0.0363 6 C 4.2911 2.6348 0.7733 C.3 1 UNL1111 0.0476 7 C 3.7911 1.1818 0.8582 C.3 1 UNL1111 0.0258 8 C 3.4467 0.5116 -0.4862 C.3 1 UNL1111 -0.0330 9 O 6.2313 3.3730 2.1085 O.3 1 UNL1111 -0.5382 10 O 3.6838 3.4461 1.7510 O.3 1 UNL1111 -0.5307 11 O 4.8253 0.4093 1.4541 O.3 1 UNL1111 -0.4781 12 O 2.0470 0.6404 -0.7479 O.3 1 UNL1111 -0.3273 13 C -5.0141 -1.1843 0.9169 C.3 1 UNL1111 0.2488 14 N -10.0713 -0.1180 1.2878 N.ar 1 UNL1111 -0.5674 15 N 7.0382 0.4209 0.6124 N.pl3 1 UNL1111 -0.4403 16 O 0.4926 2.5786 -0.5798 O.3 1 UNL1111 -0.3091 17 O 0.1600 -1.4675 -2.6328 O.3 1 UNL1111 -0.3083 18 C -5.2564 -1.9783 -0.4035 C.3 1 UNL1111 0.0325 19 O -5.8713 -3.2007 -0.1174 O.3 1 UNL1111 -0.5580 20 C -9.4207 -1.2805 1.0506 C.ar 1 UNL1111 0.3116 21 C 7.7996 -0.6693 1.2444 C.3 1 UNL1111 -0.0749 22 O 2.3193 2.7485 -2.3420 O.2 1 UNL1111 -0.2031 23 O -1.2660 0.0810 -4.0585 O.2 1 UNL1111 -0.1885 24 C -3.8222 -2.2376 -0.9225 C.3 1 UNL1111 0.0893 25 O -3.2733 -3.4457 -0.4601 O.3 1 UNL1111 -0.5435 26 N -8.0842 -1.4535 0.9522 N.ar 1 UNL1111 -0.5554 27 C 7.1899 -2.0551 0.9342 C.3 1 UNL1111 -0.2421 28 C -2.9973 -1.1014 -0.2823 C.3 1 UNL1111 0.0468 29 O -3.7465 -0.5820 0.8311 O.3 1 UNL1111 -0.4348 30 C -7.3684 -0.3089 1.1201 C.ar 1 UNL1111 0.2736 31 C 7.2065 -2.2719 -0.5881 C.3 1 UNL1111 -0.2481 32 C -2.7198 0.0970 -1.2063 C.3 1 UNL1111 -0.0304 33 O -1.3038 0.1348 -1.3893 O.3 1 UNL1111 -0.3567 34 C -7.9379 0.9849 1.3672 C.ar 1 UNL1111 -0.1948 35 C 6.7477 -1.0476 -1.3062 C.2 1 UNL1111 -0.2748 36 C -9.3562 1.0379 1.4542 C.ar 1 UNL1111 0.4699 37 N -10.0384 2.1848 1.6923 N.pl3 1 UNL1111 -0.5421 38 C 6.6211 0.1509 -0.7096 C.2 1 UNL1111 0.0397 39 N -6.9182 1.9291 1.4756 N.ar 1 UNL1111 -0.3409 40 C 8.0276 -3.1079 1.6278 C.2 1 UNL1111 0.5793 41 N 7.5194 -4.3926 1.6751 N.am 1 UNL1111 -0.6960 42 O 9.1024 -2.8747 2.1416 O.2 1 UNL1111 -0.5257 43 C -5.7738 1.2684 1.3090 C.ar 1 UNL1111 0.1537 44 N -5.9960 -0.1133 1.0810 N.ar 1 UNL1111 -0.3821 45 H 6.4069 1.0365 2.5464 H 1 UNL1111 0.1675 46 H 6.4362 2.8722 0.1758 H 1 UNL1111 0.1604 47 H 4.0507 3.1715 -0.1697 H 1 UNL1111 0.1836 48 H 2.9343 1.0824 1.5668 H 1 UNL1111 0.1612 49 H 4.1199 0.8261 -1.3039 H 1 UNL1111 0.1371 50 H 3.5300 -0.5970 -0.3793 H 1 UNL1111 0.1511 51 H 5.4942 3.9621 2.3962 H 1 UNL1111 0.3366 52 H 3.5590 2.9581 2.5955 H 1 UNL1111 0.3190 53 H -5.0115 -1.8374 1.8283 H 1 UNL1111 0.1724 54 H -5.8737 -1.4179 -1.1365 H 1 UNL1111 0.1507 55 H -6.7814 -3.0191 0.2569 H 1 UNL1111 0.3747 56 H -10.0538 -2.1786 0.9277 H 1 UNL1111 0.2035 57 H 8.8452 -0.6178 0.8491 H 1 UNL1111 0.1720 58 H 7.8846 -0.5106 2.3404 H 1 UNL1111 0.1547 59 H -3.7573 -2.2761 -2.0304 H 1 UNL1111 0.1596 60 H -3.9825 -4.0417 -0.1256 H 1 UNL1111 0.3473 61 H 6.1377 -2.0772 1.3083 H 1 UNL1111 0.1734 62 H -2.0603 -1.4946 0.1815 H 1 UNL1111 0.1855 63 H 8.2332 -2.5364 -0.9250 H 1 UNL1111 0.1606 64 H 6.5697 -3.1364 -0.8611 H 1 UNL1111 0.1411 65 H -3.3403 0.0826 -2.1212 H 1 UNL1111 0.1384 66 H -2.9231 1.0539 -0.6677 H 1 UNL1111 0.1467 67 H 6.5256 -1.1795 -2.3597 H 1 UNL1111 0.1542 68 H -11.0394 2.1848 1.7433 H 1 UNL1111 0.3255 69 H -9.5395 3.0470 1.8142 H 1 UNL1111 0.3301 70 H 6.2434 1.0318 -1.2395 H 1 UNL1111 0.1503 71 H 6.6510 -4.6508 1.2686 H 1 UNL1111 0.3015 72 H 8.0460 -5.1159 2.1259 H 1 UNL1111 0.3147 73 H -4.7757 1.6836 1.3376 H 1 UNL1111 0.2090 74 H -0.2266 1.9161 -0.2547 H 1 UNL1111 0.3273 75 H 0.7298 -1.4515 -1.7744 H 1 UNL1111 0.3246 @BOND 1 1 2 1 2 1 3 1 3 2 17 1 4 2 23 2 5 2 33 1 6 3 12 1 7 3 16 1 8 3 22 2 9 4 5 1 10 4 11 1 11 4 15 1 12 4 45 1 13 5 6 1 14 5 9 1 15 5 46 1 16 6 7 1 17 6 10 1 18 6 47 1 19 7 8 1 20 7 11 1 21 7 48 1 22 8 12 1 23 8 49 1 24 8 50 1 25 9 51 1 26 10 52 1 27 13 18 1 28 13 29 1 29 13 44 1 30 13 53 1 31 14 20 ar 32 14 36 ar 33 15 21 1 34 15 38 1 35 16 74 1 36 17 75 1 37 18 19 1 38 18 24 1 39 18 54 1 40 19 55 1 41 20 26 ar 42 20 56 1 43 21 27 1 44 21 57 1 45 21 58 1 46 24 25 1 47 24 28 1 48 24 59 1 49 25 60 1 50 26 30 ar 51 27 31 1 52 27 40 1 53 27 61 1 54 28 29 1 55 28 32 1 56 28 62 1 57 30 34 ar 58 30 44 ar 59 31 35 1 60 31 63 1 61 31 64 1 62 32 33 1 63 32 65 1 64 32 66 1 65 34 36 ar 66 34 39 ar 67 35 38 2 68 35 67 1 69 36 37 1 70 37 68 1 71 37 69 1 72 38 70 1 73 39 43 ar 74 40 41 am 75 40 42 2 76 41 71 1 77 41 72 1 78 43 44 ar 79 43 73 1