@MOLECULE 9-(5-o-{hydroxy[(hydroxy{[(4e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexen-1-yl]oxy}phosphoryl)methyl]phosphoryl}-l-ribofuranosyl)-9h-purin-6-amine 85 89 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 3.6644 0.7299 -1.2050 P.3 1 UNL1 0.2689 2 P 0.4699 1.3467 -0.3584 P.3 1 UNL1 0.2766 3 O 6.2331 -1.6519 -0.8469 O.3 1 UNL1 -0.4360 4 O 5.8059 -3.8259 1.6290 O.3 1 UNL1 -0.5393 5 O 8.0504 -3.9328 0.3852 O.3 1 UNL1 -0.5500 6 O 3.7122 -0.1166 0.1621 O.3 1 UNL1 -0.2660 7 O 4.0126 -0.3527 -2.3456 O.3 1 UNL1 -0.4447 8 O 4.4896 1.9284 -1.2806 O.2 1 UNL1 -0.3053 9 O -0.0206 -0.1197 0.0870 O.3 1 UNL1 -0.3303 10 O 1.2338 1.9285 0.9127 O.3 1 UNL1 -0.3312 11 O -0.5654 2.2173 -0.9112 O.2 1 UNL1 -0.3674 12 O -11.3194 2.7452 0.8678 O.3 1 UNL1 -0.4067 13 O -9.2078 -2.7831 0.1731 O.3 1 UNL1 -0.3508 14 O -7.5124 1.5947 -0.7767 O.3 1 UNL1 -0.4113 15 O -9.5459 3.7756 -0.0041 O.2 1 UNL1 -0.4049 16 N 8.2890 -0.5865 -0.6053 N.ar 1 UNL1 -0.3863 17 N 9.2739 1.2746 -1.4887 N.ar 1 UNL1 -0.3267 18 N 8.0077 0.2367 1.7310 N.ar 1 UNL1 -0.5465 19 N 8.8402 2.4885 2.0421 N.ar 1 UNL1 -0.5698 20 N 9.8067 3.7572 0.3325 N.pl3 1 UNL1 -0.5446 21 C 6.3033 -2.5413 1.3756 C.3 1 UNL1 0.0671 22 C 7.7238 -2.6116 0.7509 C.3 1 UNL1 0.0398 23 C 5.4366 -1.8077 0.3318 C.3 1 UNL1 0.0278 24 C 7.5986 -1.8695 -0.6042 C.3 1 UNL1 0.2774 25 C 4.9473 -0.4334 0.8082 C.3 1 UNL1 -0.0545 26 C 8.3808 0.3393 0.4282 C.ar 1 UNL1 0.3022 27 C 8.8255 0.0553 -1.7603 C.ar 1 UNL1 0.1447 28 C 9.0139 1.4971 -0.1371 C.ar 1 UNL1 -0.1979 29 C 1.8227 0.7289 -1.4754 C.3 1 UNL1 -0.0419 30 C 9.2286 2.5978 0.7330 C.ar 1 UNL1 0.4694 31 C 8.2620 1.3421 2.4671 C.ar 1 UNL1 0.3064 32 C -1.2128 -0.3912 0.8303 C.3 1 UNL1 0.0074 33 C -2.4244 -0.5367 -0.1022 C.3 1 UNL1 -0.3091 34 C -10.6545 0.5092 0.6717 C.ar 1 UNL1 0.0340 35 C -8.3364 -0.6492 -0.3678 C.ar 1 UNL1 -0.2265 36 C -3.5312 -1.3425 0.5912 C.3 1 UNL1 -0.2921 37 C -9.6285 1.3297 0.1614 C.ar 1 UNL1 -0.3130 38 C -10.5624 -0.8660 0.6825 C.ar 1 UNL1 -0.1175 39 C -7.1029 -1.2845 -0.9197 C.3 1 UNL1 -0.2529 40 C -9.3838 -1.4196 0.1310 C.ar 1 UNL1 0.2662 41 C -8.4653 0.7588 -0.3352 C.ar 1 UNL1 0.3578 42 C -4.6965 -1.5593 -0.3283 C.2 1 UNL1 0.0419 43 C -11.7556 1.4075 1.1520 C.3 1 UNL1 -0.0455 44 C -5.9056 -1.0503 -0.0526 C.2 1 UNL1 -0.2411 45 C -10.0475 2.7320 0.2844 C.2 1 UNL1 0.6201 46 C -11.6320 -1.7175 1.2619 C.3 1 UNL1 -0.4257 47 C -4.4300 -2.3782 -1.5473 C.3 1 UNL1 -0.4596 48 C -9.8525 -3.4558 -0.9057 C.3 1 UNL1 -0.1920 49 H -6.0877 -0.4678 0.8481 H 1 UNL1 0.1621 50 H 5.8138 -4.3745 0.8100 H 1 UNL1 0.3279 51 H 8.1016 -4.5021 1.1868 H 1 UNL1 0.3380 52 H 4.9997 -0.5930 -2.2586 H 1 UNL1 0.3400 53 H 0.6063 2.5438 1.4314 H 1 UNL1 0.3045 54 H -6.6775 1.1175 -1.0459 H 1 UNL1 0.3390 55 H 9.9239 4.5189 0.9728 H 1 UNL1 0.3241 56 H 10.0810 3.8756 -0.6252 H 1 UNL1 0.3299 57 H 6.3028 -2.0642 2.3793 H 1 UNL1 0.1748 58 H 8.5140 -2.2110 1.4174 H 1 UNL1 0.1670 59 H 4.5853 -2.4403 -0.0176 H 1 UNL1 0.1725 60 H 7.9521 -2.4847 -1.4740 H 1 UNL1 0.1769 61 H 4.6042 -0.4739 1.8687 H 1 UNL1 0.1515 62 H 5.7440 0.3331 0.7349 H 1 UNL1 0.1579 63 H 8.8580 -0.4371 -2.7203 H 1 UNL1 0.1987 64 H 1.5516 -0.3793 -1.6987 H 1 UNL1 0.2310 65 H 1.6852 1.3377 -2.4560 H 1 UNL1 0.2286 66 H 7.9644 1.3106 3.5302 H 1 UNL1 0.1987 67 H -1.4184 0.3120 1.6571 H 1 UNL1 0.1177 68 H -0.9206 -1.3733 1.2700 H 1 UNL1 0.1260 69 H -2.1153 -1.0292 -1.0443 H 1 UNL1 0.1533 70 H -2.8114 0.4574 -0.4034 H 1 UNL1 0.1641 71 H -3.8459 -0.8225 1.5192 H 1 UNL1 0.1484 72 H -3.1401 -2.3263 0.9251 H 1 UNL1 0.1466 73 H -6.9137 -0.9293 -1.9583 H 1 UNL1 0.1525 74 H -7.2562 -2.3872 -1.0275 H 1 UNL1 0.1729 75 H -12.7088 1.2724 0.6119 H 1 UNL1 0.1566 76 H -11.9218 1.3617 2.2431 H 1 UNL1 0.1583 77 H -11.9812 -1.3280 2.2303 H 1 UNL1 0.1574 78 H -11.2870 -2.7465 1.4508 H 1 UNL1 0.1665 79 H -12.5068 -1.7793 0.5984 H 1 UNL1 0.1534 80 H -3.4733 -2.9148 -1.4958 H 1 UNL1 0.1545 81 H -4.3964 -1.7457 -2.4469 H 1 UNL1 0.1592 82 H -5.2087 -3.1371 -1.7097 H 1 UNL1 0.1538 83 H -9.5851 -4.5045 -0.7243 H 1 UNL1 0.1505 84 H -9.4567 -3.1136 -1.8670 H 1 UNL1 0.1310 85 H -10.9372 -3.3183 -0.8607 H 1 UNL1 0.1336 @BOND 1 63 27 1 2 65 29 1 3 81 47 1 4 7 52 1 5 7 1 1 6 73 39 1 7 84 48 1 8 27 17 ar 9 27 16 ar 10 82 47 1 11 64 29 1 12 47 80 1 13 47 42 1 14 17 28 ar 15 29 1 1 16 29 2 1 17 60 24 1 18 8 1 2 19 1 6 1 20 54 14 1 21 69 33 1 22 74 39 1 23 39 35 1 24 39 44 1 25 11 2 2 26 48 85 1 27 48 83 1 28 48 13 1 29 3 24 1 30 3 23 1 31 14 41 1 32 56 20 1 33 16 24 1 34 16 26 ar 35 24 22 1 36 70 33 1 37 35 41 ar 38 35 40 ar 39 2 9 1 40 2 10 1 41 41 37 ar 42 42 44 2 43 42 36 1 44 28 26 ar 45 28 30 ar 46 33 36 1 47 33 32 1 48 44 49 1 49 59 23 1 50 15 45 2 51 9 32 1 52 40 13 1 53 40 38 ar 54 37 45 1 55 37 34 ar 56 6 25 1 57 45 12 1 58 23 25 1 59 23 21 1 60 20 30 1 61 20 55 1 62 5 22 1 63 5 51 1 64 26 18 ar 65 36 72 1 66 36 71 1 67 79 46 1 68 75 43 1 69 34 38 ar 70 34 43 1 71 38 46 1 72 30 19 ar 73 62 25 1 74 22 21 1 75 22 58 1 76 25 61 1 77 50 4 1 78 32 68 1 79 32 67 1 80 12 43 1 81 10 53 1 82 43 76 1 83 46 78 1 84 46 77 1 85 21 4 1 86 21 57 1 87 18 31 ar 88 19 31 ar 89 31 66 1