@MOLECULE 9-{5-o-[{[(4ar,5ar,6s,7r,8r,9s,9as,10as)-2-butyl-4a,7-dihydroxy-6,8-bis(methylamino)-4-oxodecahydro-2h-pyrano[2,3-b][1,4]benzodioxin-9-yl]oxy}(hydroxy)phosphoryl]-beta-d-arabinofuranosyl}-9h-purin-6-amine 90 95 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 0.1783 -2.4567 -0.1150 P.3 1 UNL1 0.3220 2 O 4.0557 1.8621 0.2868 O.3 1 UNL1 -0.4521 3 O 2.3254 0.3835 -1.3221 O.3 1 UNL1 -0.4280 4 O 0.6784 -1.2523 0.8241 O.3 1 UNL1 -0.3217 5 O 4.3508 -0.5255 -1.8620 O.3 1 UNL1 -0.4303 6 O 0.8356 1.5455 3.8000 O.3 1 UNL1 -0.5254 7 O 3.9100 2.9603 -1.7311 O.3 1 UNL1 -0.5464 8 O 6.5521 2.6575 -1.2394 O.2 1 UNL1 -0.4111 9 O -1.0999 -1.8175 -0.8485 O.3 1 UNL1 -0.2818 10 O 1.1678 -2.5753 -1.3487 O.3 1 UNL1 -0.2883 11 O -2.7872 -0.2754 1.1688 O.3 1 UNL1 -0.3976 12 O 0.0609 -3.6717 0.6736 O.2 1 UNL1 -0.2315 13 O -4.0071 -3.1497 2.5445 O.3 1 UNL1 -0.5461 14 O -6.2183 -0.9224 1.7188 O.3 1 UNL1 -0.5243 15 N 2.2770 3.3349 2.4055 N.3 1 UNL1 -0.5472 16 N -0.3952 2.2354 1.3120 N.3 1 UNL1 -0.5359 17 N -4.5851 1.0100 0.5324 N.ar 1 UNL1 -0.3548 18 N -4.7759 2.8724 -0.7805 N.ar 1 UNL1 -0.3396 19 N -5.4412 -0.6600 -1.1095 N.ar 1 UNL1 -0.5675 20 N -6.0630 0.3250 -3.2269 N.ar 1 UNL1 -0.5674 21 N -5.8936 2.6109 -3.6849 N.pl3 1 UNL1 -0.5408 22 C 2.6605 1.7772 0.5798 C.3 1 UNL1 0.0648 23 C 2.2141 0.3951 0.0945 C.3 1 UNL1 -0.0016 24 C 2.5433 1.9108 2.1133 C.3 1 UNL1 -0.0473 25 C 0.7263 0.1129 0.3705 C.3 1 UNL1 0.0524 26 C 0.1850 0.9132 1.6009 C.3 1 UNL1 0.0118 27 C 1.3641 1.0075 2.6072 C.3 1 UNL1 0.0808 28 C 4.3315 1.8043 -1.0902 C.3 1 UNL1 0.2914 29 C 3.5990 0.6500 -1.8355 C.3 1 UNL1 0.2782 30 C 5.8758 1.6736 -1.1204 C.2 1 UNL1 0.4329 31 C 5.2744 -0.7164 -0.7938 C.3 1 UNL1 0.1377 32 C 6.4193 0.2853 -1.0014 C.3 1 UNL1 -0.4424 33 C 5.7169 -2.1732 -0.9321 C.3 1 UNL1 -0.3096 34 C 3.5178 4.1106 2.5858 C.3 1 UNL1 -0.2685 35 C -1.1190 2.3339 0.0331 C.3 1 UNL1 -0.2752 36 C 4.5924 -3.1038 -0.4626 C.3 1 UNL1 -0.2628 37 C -2.7735 -1.6958 1.0390 C.3 1 UNL1 0.0152 38 C -4.1498 -2.2304 1.4830 C.3 1 UNL1 0.0495 39 C -2.4427 -2.0488 -0.4137 C.3 1 UNL1 -0.0354 40 C -4.8850 -1.0083 2.0803 C.3 1 UNL1 0.0884 41 C -4.0255 0.2146 1.6207 C.3 1 UNL1 0.2287 42 C 5.0366 -4.5708 -0.4862 C.3 1 UNL1 -0.2555 43 C 3.8918 -5.4763 -0.0320 C.3 1 UNL1 -0.4380 44 C -5.0769 0.5822 -0.6925 C.ar 1 UNL1 0.2987 45 C -4.3956 2.4185 0.4083 C.ar 1 UNL1 0.1418 46 C -5.2054 1.7610 -1.5035 C.ar 1 UNL1 -0.2092 47 C -5.7213 1.5867 -2.8138 C.ar 1 UNL1 0.4690 48 C -5.9140 -0.7127 -2.3748 C.ar 1 UNL1 0.3046 49 H 1.3687 1.2628 4.5693 H 1 UNL1 0.3049 50 H 4.3375 3.7658 -1.3501 H 1 UNL1 0.3536 51 H 1.5717 -1.6445 -1.5603 H 1 UNL1 0.3341 52 H -3.2923 -3.7915 2.3476 H 1 UNL1 0.3248 53 H -6.3487 -1.0768 0.7506 H 1 UNL1 0.3454 54 H 1.6541 3.4266 3.2127 H 1 UNL1 0.2836 55 H 0.3096 2.9688 1.3882 H 1 UNL1 0.2799 56 H -6.2770 2.4494 -4.5964 H 1 UNL1 0.3240 57 H -5.6691 3.5485 -3.4059 H 1 UNL1 0.3301 58 H 2.1371 2.6054 0.0475 H 1 UNL1 0.1756 59 H 2.8668 -0.4073 0.5144 H 1 UNL1 0.1585 60 H 3.4944 1.5537 2.5842 H 1 UNL1 0.1412 61 H 0.1159 0.3408 -0.5379 H 1 UNL1 0.1740 62 H -0.6458 0.3136 2.0782 H 1 UNL1 0.1936 63 H 1.7407 -0.0241 2.8081 H 1 UNL1 0.1372 64 H 3.3884 0.8742 -2.9100 H 1 UNL1 0.1807 65 H 4.7658 -0.5387 0.1819 H 1 UNL1 0.1377 66 H 7.1574 0.2275 -0.1756 H 1 UNL1 0.1882 67 H 6.9962 0.0355 -1.9198 H 1 UNL1 0.1945 68 H 6.6378 -2.3496 -0.3484 H 1 UNL1 0.1438 69 H 5.9713 -2.3929 -1.9883 H 1 UNL1 0.1588 70 H 4.1684 3.9813 1.7020 H 1 UNL1 0.1578 71 H 4.0968 3.8414 3.4815 H 1 UNL1 0.1169 72 H 3.2499 5.1795 2.6478 H 1 UNL1 0.1487 73 H -1.8188 1.4867 -0.0771 H 1 UNL1 0.1590 74 H -0.4758 2.3778 -0.8594 H 1 UNL1 0.1204 75 H -1.7192 3.2613 0.0593 H 1 UNL1 0.1481 76 H 3.7021 -2.9716 -1.1132 H 1 UNL1 0.1647 77 H 4.2579 -2.8309 0.5561 H 1 UNL1 0.1402 78 H -1.9889 -2.0057 1.7744 H 1 UNL1 0.1794 79 H -4.7376 -2.7187 0.6779 H 1 UNL1 0.1560 80 H -2.7623 -3.0831 -0.6576 H 1 UNL1 0.1371 81 H -2.9557 -1.3419 -1.1141 H 1 UNL1 0.1646 82 H -4.9291 -1.0677 3.1957 H 1 UNL1 0.1812 83 H -3.7704 0.9060 2.4663 H 1 UNL1 0.1685 84 H 5.9178 -4.7158 0.1651 H 1 UNL1 0.1255 85 H 5.3603 -4.8540 -1.5053 H 1 UNL1 0.1313 86 H 3.5562 -5.2252 0.9811 H 1 UNL1 0.1466 87 H 4.1856 -6.5297 -0.0359 H 1 UNL1 0.1333 88 H 3.0163 -5.3715 -0.6875 H 1 UNL1 0.1586 89 H -3.9974 3.0117 1.2219 H 1 UNL1 0.2104 90 H -6.2145 -1.7061 -2.7546 H 1 UNL1 0.2023 @BOND 1 56 21 1 2 21 57 1 3 21 47 1 4 20 47 ar 5 20 48 ar 6 64 29 1 7 47 46 ar 8 90 48 1 9 48 19 ar 10 69 33 1 11 67 32 1 12 5 29 1 13 5 31 1 14 29 3 1 15 29 28 1 16 7 50 1 17 7 28 1 18 51 10 1 19 85 42 1 20 46 18 ar 21 46 44 ar 22 10 1 1 23 3 23 1 24 8 30 2 25 30 28 1 26 30 32 1 27 81 39 1 28 76 36 1 29 19 44 ar 30 28 2 1 31 32 31 1 32 32 66 1 33 33 31 1 34 33 36 1 35 33 68 1 36 74 35 1 37 9 39 1 38 9 1 1 39 31 65 1 40 18 45 ar 41 44 17 ar 42 88 43 1 43 80 39 1 44 61 25 1 45 42 36 1 46 42 43 1 47 42 84 1 48 36 77 1 49 39 37 1 50 1 12 2 51 1 4 1 52 73 35 1 53 87 43 1 54 43 86 1 55 35 75 1 56 35 16 1 57 58 22 1 58 23 25 1 59 23 59 1 60 23 22 1 61 2 22 1 62 25 4 1 63 25 26 1 64 45 17 ar 65 45 89 1 66 17 41 1 67 22 24 1 68 79 38 1 69 53 14 1 70 37 11 1 71 37 38 1 72 37 78 1 73 11 41 1 74 16 55 1 75 16 26 1 76 38 40 1 77 38 13 1 78 26 62 1 79 26 27 1 80 41 40 1 81 41 83 1 82 70 34 1 83 14 40 1 84 40 82 1 85 24 15 1 86 24 60 1 87 24 27 1 88 52 13 1 89 15 34 1 90 15 54 1 91 34 72 1 92 34 71 1 93 27 63 1 94 27 6 1 95 6 49 1