@MOLECULE [[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-oxido-phosphoryl] [3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl phosphate 51 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -7.2006 -0.1412 0.8588 N.pl3 1 UNL1 -0.2592 2 N 7.6932 1.7780 -0.2895 N.2 1 UNL1 -0.5864 3 C -8.2716 -2.1189 -2.2353 C.2 1 UNL1 0.5136 4 C 8.8245 1.0016 -0.3466 C.2 1 UNL1 0.5789 5 P -0.5308 -0.5370 2.3271 P.3 1 UNL1 0.3661 6 P 1.2754 1.3359 0.7746 P.3 1 UNL1 0.4113 7 C -8.2729 0.4598 0.2247 C.2 1 UNL1 0.3458 8 N 10.0627 1.5829 -0.2713 N.2 1 UNL1 -0.5254 9 C 7.7600 -0.8645 0.4372 C.1 1 UNL1 0.1704 10 C -8.2939 1.9279 0.1473 C.3 1 UNL1 0.0895 11 N -7.2337 2.6695 0.4889 N.1 1 UNL1 -0.5393 12 C -6.1661 -0.6909 0.3962 C.1 1 UNL1 0.2534 13 C 6.5279 1.9620 -0.5845 C.1 1 UNL1 0.6331 14 C -6.2936 3.3448 0.8147 C.1 1 UNL1 0.4863 15 O 0.4222 0.6475 1.8575 O.3 1 UNL1 -0.2292 16 O -0.1464 -3.7106 0.1733 O.3 1 UNL1 -0.2534 17 C 5.3227 2.3418 -0.8115 C.1 1 UNL1 -0.8146 18 C 10.5560 2.7172 -0.3265 C.1 1 UNL1 0.6144 19 P -2.4072 -0.4708 -0.1536 P.3 1 UNL1 0.3737 20 P 2.2408 -1.0791 -0.9332 P.3 1 UNL1 0.4480 21 O -1.7976 -0.2889 1.2102 O.3 1 UNL1 -0.1528 22 O 0.5661 1.4781 -0.5588 O.2 1 UNL1 -0.0453 23 C -0.6701 -2.7470 -0.2013 C.3 1 UNL1 0.7514 24 O 5.6204 -0.5045 -2.0383 O.2 1 UNL1 -0.4363 25 C -5.0710 -1.2503 0.1549 C.1 1 UNL1 -0.1532 26 C 6.7472 -1.5265 0.5311 C.1 1 UNL1 -0.2621 27 C -9.5373 2.6015 -0.3394 C.2 1 UNL1 0.1822 28 C 4.4859 -1.7339 -0.2507 C.3 1 UNL1 -0.1432 29 N -9.3102 -0.2845 -0.1589 N.2 1 UNL1 -0.3904 30 N -10.6387 1.6903 -0.7142 N.2 1 UNL1 -0.3485 31 C 5.5352 -2.2615 0.6246 C.2 1 UNL1 0.5140 32 O 1.1697 -1.8134 -1.5528 O.2 1 UNL1 -0.2391 33 O 0.0439 -1.8536 2.1570 O.2 1 UNL1 -0.2823 34 C -3.7871 -1.7624 -0.1071 C.2 1 UNL1 0.4721 35 O -1.3704 0.0878 3.3396 O.3 1 UNL1 -0.1411 36 O 2.2536 2.2149 1.3634 O.3 1 UNL1 -0.1836 37 C 4.6498 -0.8984 -1.4561 C.2 1 UNL1 0.5782 38 C -10.3682 0.4808 -0.5684 C.2 1 UNL1 0.3501 39 O 8.8814 -0.2106 0.3733 O.2 1 UNL1 -0.1646 40 O -2.0882 0.1193 -1.5802 O.3 1 UNL1 0.0429 41 O 3.3885 -0.5606 -1.9608 O.3 1 UNL1 -0.2897 42 O -1.2271 -1.8109 -0.7027 O.3 1 UNL1 -0.3118 43 O 3.2142 -1.9903 0.0772 O.3 1 UNL1 -0.0424 44 O 2.1234 0.1519 0.0091 O.3 1 UNL1 -0.1164 45 O -3.1213 0.8710 -0.6806 O.3 1 UNL1 -0.1780 46 O 11.2463 3.6528 -0.3939 O.2 1 UNL1 -0.2423 47 O -7.4505 -1.4036 -1.8844 O.2 1 UNL1 -0.5133 48 N -9.7143 3.8357 -0.4686 N.2 1 UNL1 -0.1160 49 O -3.4939 -2.9249 -0.2507 O.2 1 UNL1 -0.3576 50 C 4.1146 2.7099 -1.0634 C.3 1 UNL1 0.5168 51 O 5.3647 -3.2141 1.3511 O.2 1 UNL1 -0.3744 @BOND 1 3 47 2 2 24 37 2 3 41 37 1 4 41 20 1 5 40 45 1 6 40 19 1 7 32 20 2 8 37 28 1 9 50 17 1 10 20 44 1 11 20 43 1 12 17 13 3 13 30 38 2 14 30 27 1 15 42 23 1 16 42 19 1 17 45 19 1 18 13 2 1 19 38 29 1 20 22 6 2 21 48 27 2 22 46 18 2 23 4 2 2 24 4 8 1 25 4 39 1 26 27 10 1 27 18 8 2 28 49 34 2 29 28 43 1 30 28 31 1 31 23 16 1 32 29 7 2 33 19 34 1 34 19 21 1 35 34 25 1 36 44 6 1 37 10 7 1 38 10 11 1 39 25 12 3 40 7 1 1 41 39 9 1 42 12 1 1 43 9 26 3 44 11 14 3 45 26 31 1 46 31 51 2 47 6 36 1 48 6 15 1 49 21 5 1 50 15 5 1 51 33 5 2 52 5 35 1