@MOLECULE 5'-o-[hydroxy({hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl}methyl)phosphoryl]adenosine 72 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 6.2452 -0.5346 -1.0853 C.3 1 UNL1 0.2448 2 C 6.3628 -1.7893 -0.1688 C.3 1 UNL1 0.0302 3 C 4.9206 -2.0059 0.3660 C.3 1 UNL1 0.0958 4 C 4.0339 -1.1497 -0.5670 C.3 1 UNL1 0.0056 5 C 6.1852 1.5537 0.4371 C.ar 1 UNL1 0.1458 6 C 10.2204 1.3892 -1.4361 C.ar 1 UNL1 0.3043 7 C 3.0193 -0.2338 0.1479 C.3 1 UNL1 -0.0248 8 C -4.4982 0.6000 -0.3401 C.3 1 UNL1 -0.2886 9 C -0.6070 -1.7566 0.0842 C.3 1 UNL1 -0.1034 10 C -4.0615 0.0048 1.0158 C.3 1 UNL1 0.0286 11 C -8.3101 3.4999 1.2724 C.3 1 UNL1 -0.4271 12 C -5.1498 3.9510 0.5226 C.3 1 UNL1 -0.1892 13 H 7.5867 -2.8002 -1.3429 H 1 UNL1 0.3442 14 H 4.8535 -3.8208 -0.4296 H 1 UNL1 0.3487 15 H -7.1355 -1.4899 -2.0840 H 1 UNL1 0.3581 16 H 10.5557 4.6384 0.6733 H 1 UNL1 0.3248 17 H 8.9674 4.5464 1.3537 H 1 UNL1 0.3291 18 C 9.4312 3.0333 0.0488 C.ar 1 UNL1 0.4660 19 C -6.8786 0.0968 -0.9856 C.ar 1 UNL1 0.3655 20 C -5.9510 0.9254 -0.3080 C.ar 1 UNL1 -0.1697 21 C -7.8335 2.3391 0.4782 C.ar 1 UNL1 -0.1109 22 C -6.4534 2.0148 0.3972 C.ar 1 UNL1 0.2507 23 O -9.4360 -1.2720 -2.2047 O.2 1 UNL1 -0.4671 24 O 1.1963 -1.5226 2.4100 O.2 1 UNL1 -0.3267 25 O -3.2349 -2.8128 -0.1273 O.2 1 UNL1 -0.2823 26 C -10.1915 1.5279 -0.3347 C.3 1 UNL1 -0.0491 27 O 6.6790 -2.8975 -0.9723 O.3 1 UNL1 -0.5472 28 O 4.5135 -3.3393 0.3629 O.3 1 UNL1 -0.5373 29 O -6.3923 -0.9447 -1.6782 O.3 1 UNL1 -0.4170 30 O 1.5273 -3.2186 0.4833 O.3 1 UNL1 -0.4016 31 O -2.4047 -2.6065 2.2100 O.3 1 UNL1 -0.3318 32 O 1.7044 -0.7475 -0.0180 O.3 1 UNL1 -0.3600 33 O -5.5672 2.7424 1.1523 O.3 1 UNL1 -0.3531 34 O -2.7094 -0.4580 0.8781 O.3 1 UNL1 -0.3499 35 C -9.3788 -0.2913 -1.5155 C.2 1 UNL1 0.6271 36 H 2.5158 -3.3448 0.7278 H 1 UNL1 0.3418 37 H -1.7369 -2.1116 2.8126 H 1 UNL1 0.3159 38 C -8.2300 0.3934 -0.9241 C.ar 1 UNL1 -0.3894 39 C -8.6973 1.5074 -0.1959 C.ar 1 UNL1 0.0372 40 O 4.8860 -0.2663 -1.3051 O.3 1 UNL1 -0.4074 41 O -10.5305 0.3934 -1.1634 O.3 1 UNL1 -0.3755 42 N 9.6748 4.1697 0.7492 N.pl3 1 UNL1 -0.5482 43 N 6.9911 2.5535 0.7799 N.ar 1 UNL1 -0.3370 44 N 9.0965 0.6362 -1.4423 N.ar 1 UNL1 -0.5228 45 N 10.4286 2.5359 -0.7451 N.ar 1 UNL1 -0.5683 46 P 1.0003 -1.8006 0.9920 P.3 1 UNL1 0.2844 47 P -2.3585 -2.0231 0.7295 P.3 1 UNL1 0.2824 48 C 8.0980 1.1398 -0.6748 C.ar 1 UNL1 0.2877 49 C 8.1955 2.3362 0.1114 C.ar 1 UNL1 -0.2028 50 N 6.8235 0.6408 -0.4430 N.ar 1 UNL1 -0.3890 51 H 6.7055 -0.6779 -2.0998 H 1 UNL1 0.1840 52 H 7.1162 -1.6891 0.6361 H 1 UNL1 0.1542 53 H 4.8318 -1.7264 1.4425 H 1 UNL1 0.1650 54 H 3.5374 -1.7808 -1.3451 H 1 UNL1 0.1746 55 H 5.1653 1.4159 0.7529 H 1 UNL1 0.2017 56 H 3.3096 -0.0173 1.1909 H 1 UNL1 0.1324 57 H 2.9261 0.7360 -0.4000 H 1 UNL1 0.1533 58 H 11.0624 1.0349 -2.0603 H 1 UNL1 0.2028 59 H -10.7304 1.3787 0.6192 H 1 UNL1 0.1625 60 H -10.5816 2.4137 -0.8685 H 1 UNL1 0.1608 61 H -3.8892 1.4958 -0.5665 H 1 UNL1 0.1480 62 H -4.2743 -0.1213 -1.1619 H 1 UNL1 0.1875 63 H -0.6401 -0.7147 -0.4289 H 1 UNL1 0.2320 64 H -0.5047 -2.5481 -0.7656 H 1 UNL1 0.2338 65 H -9.2633 3.2894 1.7793 H 1 UNL1 0.1557 66 H -7.5955 3.7789 2.0631 H 1 UNL1 0.1690 67 H -8.4662 4.3874 0.6401 H 1 UNL1 0.1542 68 H -3.9369 0.8030 1.7815 H 1 UNL1 0.1323 69 H -4.8008 -0.7324 1.3832 H 1 UNL1 0.1391 70 H -6.0001 4.5718 0.2340 H 1 UNL1 0.1314 71 H -4.5645 4.4398 1.3148 H 1 UNL1 0.1512 72 H -4.5193 3.7211 -0.3455 H 1 UNL1 0.1333 @BOND 1 23 35 2 2 51 1 1 3 15 29 1 4 58 6 1 5 29 19 1 6 35 41 1 7 35 38 1 8 44 6 ar 9 44 48 ar 10 6 45 ar 11 54 4 1 12 13 27 1 13 40 1 1 14 40 4 1 15 41 26 1 16 62 8 1 17 1 50 1 18 1 2 1 19 19 38 ar 20 19 20 ar 21 27 2 1 22 38 39 ar 23 60 26 1 24 64 9 1 25 45 18 ar 26 48 50 ar 27 48 49 ar 28 4 7 1 29 4 3 1 30 61 8 1 31 50 5 ar 32 14 28 1 33 63 9 1 34 57 7 1 35 72 12 1 36 8 20 1 37 8 10 1 38 26 39 1 39 26 59 1 40 20 22 ar 41 39 21 ar 42 2 3 1 43 2 52 1 44 25 47 2 45 32 7 1 46 32 46 1 47 18 49 ar 48 18 42 1 49 9 47 1 50 9 46 1 51 49 43 ar 52 7 56 1 53 70 12 1 54 28 3 1 55 3 53 1 56 22 21 ar 57 22 33 1 58 5 55 1 59 5 43 ar 60 21 11 1 61 30 36 1 62 30 46 1 63 12 33 1 64 12 71 1 65 67 11 1 66 16 42 1 67 47 34 1 68 47 31 1 69 42 17 1 70 34 10 1 71 46 24 2 72 10 69 1 73 10 68 1 74 11 65 1 75 11 66 1 76 31 37 1