@MOLECULE bis{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl} dihydrogen diphosphate (non-preferred name) 71 76 0 0 0 SMALL GASTEIGER @ATOM 1 P 3.7547 1.9306 0.0158 P.3 1 UNL11 0.3745 2 P 4.9888 -0.7860 0.6281 P.3 1 UNL11 0.3747 3 O -0.3957 2.6813 -2.1660 O.3 1 UNL11 -0.4267 4 O 1.3176 -3.0412 0.8598 O.3 1 UNL11 -0.3765 5 O 0.5043 4.4001 0.6184 O.3 1 UNL11 -0.5706 6 O 1.1745 -4.9570 -1.5533 O.3 1 UNL11 -0.5428 7 O -1.9287 4.6647 -0.1582 O.3 1 UNL11 -0.5116 8 O -1.1595 -3.6499 -1.5368 O.3 1 UNL11 -0.5336 9 O 2.2486 1.3912 -0.0364 O.3 1 UNL11 -0.2509 10 O 3.7338 -1.7495 0.5991 O.3 1 UNL11 -0.1665 11 O 4.5532 0.7403 0.6652 O.3 1 UNL11 -0.1526 12 O 4.1082 2.0860 -1.5286 O.3 1 UNL11 -0.3988 13 O 5.6563 -0.9934 -0.8078 O.3 1 UNL11 -0.4140 14 O 3.9359 3.0824 0.8786 O.2 1 UNL11 -0.2320 15 O 5.7859 -0.9884 1.8230 O.2 1 UNL11 -0.2000 16 N -2.2122 1.3971 -1.5689 N.ar 1 UNL11 -0.3725 17 N -0.5478 -1.7043 1.0872 N.ar 1 UNL11 -0.3799 18 N -2.4001 -0.8244 -2.0398 N.ar 1 UNL11 -0.3869 19 N -0.6433 0.4100 1.9187 N.ar 1 UNL11 -0.3670 20 N -4.3928 1.7040 -0.4132 N.ar 1 UNL11 -0.5064 21 N -2.8975 -2.3842 1.5384 N.ar 1 UNL11 -0.5300 22 N -5.7240 -0.3164 -0.3725 N.ar 1 UNL11 -0.5569 23 N -4.1809 -0.6407 2.6155 N.ar 1 UNL11 -0.5652 24 N -5.0342 -2.3476 -1.3041 N.pl3 1 UNL11 -0.5376 25 N -3.3576 1.5041 3.0480 N.pl3 1 UNL11 -0.5348 26 C 0.0162 3.1587 0.1639 C.3 1 UNL11 0.0621 27 C 1.2421 -3.5595 -1.4810 C.3 1 UNL11 0.0848 28 C -1.4951 3.3370 -0.1325 C.3 1 UNL11 0.0826 29 C -0.0877 -2.8825 -1.0743 C.3 1 UNL11 0.0278 30 C 0.6516 2.8114 -1.1978 C.3 1 UNL11 0.0202 31 C 2.1571 -3.1928 -0.2864 C.3 1 UNL11 0.0341 32 C -1.6651 2.7631 -1.5711 C.3 1 UNL11 0.2587 33 C -0.0393 -2.9285 0.4861 C.3 1 UNL11 0.2354 34 C 1.4034 1.4701 -1.1891 C.3 1 UNL11 -0.0541 35 C 2.8833 -1.8657 -0.5650 C.3 1 UNL11 -0.0850 36 C -3.4429 0.9936 -1.0708 C.ar 1 UNL11 0.2850 37 C -1.8503 -1.5213 1.5347 C.ar 1 UNL11 0.2818 38 C -1.6289 0.2582 -2.1678 C.ar 1 UNL11 0.1295 39 C 0.1566 -0.5096 1.3838 C.ar 1 UNL11 0.1556 40 C -3.5515 -0.4064 -1.3823 C.ar 1 UNL11 -0.2037 41 C -1.9004 -0.1786 2.0405 C.ar 1 UNL11 -0.2085 42 C -4.7645 -1.0462 -1.0118 C.ar 1 UNL11 0.4568 43 C -3.1452 0.2505 2.5714 C.ar 1 UNL11 0.4624 44 C -5.4968 0.9935 -0.1029 C.ar 1 UNL11 0.3090 45 C -4.0121 -1.8880 2.1199 C.ar 1 UNL11 0.2997 46 H 0.1971 2.3900 0.9532 H 1 UNL11 0.1892 47 H 1.6225 -3.2314 -2.4678 H 1 UNL11 0.1466 48 H -2.1586 2.8426 0.6096 H 1 UNL11 0.1737 49 H -0.1584 -1.8472 -1.4665 H 1 UNL11 0.1489 50 H 1.2686 3.6504 -1.5895 H 1 UNL11 0.1633 51 H 2.8492 -4.0128 0.0050 H 1 UNL11 0.1816 52 H -2.2836 3.4162 -2.2378 H 1 UNL11 0.1821 53 H -0.5843 -3.8126 0.9099 H 1 UNL11 0.1858 54 H 0.7027 0.6309 -0.9667 H 1 UNL11 0.1376 55 H 1.8870 1.2768 -2.1649 H 1 UNL11 0.1445 56 H 2.1612 -1.0233 -0.5864 H 1 UNL11 0.1443 57 H 3.4199 -1.9130 -1.5334 H 1 UNL11 0.1443 58 H 1.4240 4.2879 0.9520 H 1 UNL11 0.3531 59 H 0.2433 -5.2698 -1.4689 H 1 UNL11 0.3498 60 H -1.1637 5.2871 -0.2070 H 1 UNL11 0.3392 61 H -1.9694 -3.0759 -1.5363 H 1 UNL11 0.3567 62 H -0.6826 0.3062 -2.6877 H 1 UNL11 0.2040 63 H 1.2288 -0.4197 1.2265 H 1 UNL11 0.2336 64 H -6.3054 1.5277 0.4271 H 1 UNL11 0.2046 65 H -4.8823 -2.5650 2.1924 H 1 UNL11 0.2039 66 H 5.0981 2.3041 -1.6300 H 1 UNL11 0.3265 67 H 6.6677 -0.9097 -0.7304 H 1 UNL11 0.3242 68 H -4.2996 -2.9299 -1.6542 H 1 UNL11 0.3183 69 H -5.8516 -2.7869 -0.9220 H 1 UNL11 0.3233 70 H -2.6577 2.2096 2.9132 H 1 UNL11 0.3269 71 H -4.2743 1.7838 3.3418 H 1 UNL11 0.3239 @BOND 1 1 9 1 2 1 11 1 3 1 12 1 4 1 14 2 5 2 10 1 6 2 11 1 7 2 13 1 8 2 15 2 9 3 30 1 10 3 32 1 11 4 31 1 12 4 33 1 13 5 26 1 14 5 58 1 15 6 27 1 16 6 59 1 17 7 28 1 18 7 60 1 19 8 29 1 20 8 61 1 21 9 34 1 22 10 35 1 23 12 66 1 24 13 67 1 25 16 32 1 26 16 36 ar 27 16 38 ar 28 17 33 1 29 17 37 ar 30 17 39 ar 31 18 38 ar 32 18 40 ar 33 19 39 ar 34 19 41 ar 35 20 36 ar 36 20 44 ar 37 21 37 ar 38 21 45 ar 39 22 42 ar 40 22 44 ar 41 23 43 ar 42 23 45 ar 43 24 42 1 44 24 68 1 45 24 69 1 46 25 43 1 47 25 70 1 48 25 71 1 49 26 28 1 50 26 30 1 51 26 46 1 52 27 29 1 53 27 31 1 54 27 47 1 55 28 32 1 56 28 48 1 57 29 33 1 58 29 49 1 59 30 34 1 60 30 50 1 61 31 35 1 62 31 51 1 63 32 52 1 64 33 53 1 65 34 54 1 66 34 55 1 67 35 56 1 68 35 57 1 69 36 40 ar 70 37 41 ar 71 38 62 1 72 39 63 1 73 40 42 ar 74 41 43 ar 75 44 64 1 76 45 65 1