@MOLECULE [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate 66 70 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.9119 1.7676 1.2998 S.3 1 UNL11 -0.0033 2 P 4.1513 2.1714 0.9548 P.3 1 UNL11 0.3737 3 O 3.0943 -2.0068 0.5917 O.3 1 UNL11 -0.3753 4 O 4.8512 -3.3014 -1.6135 O.3 1 UNL11 -0.5299 5 O 2.3813 -4.1314 -2.0670 O.3 1 UNL11 -0.5003 6 O -4.1983 -1.6412 -1.6274 O.2 1 UNL11 -0.5324 7 O 3.9566 0.6145 0.7344 O.3 1 UNL11 -0.1479 8 O 2.7228 2.7225 0.4043 O.3 1 UNL11 -0.3967 9 O 5.2514 2.6177 -0.0890 O.3 1 UNL11 -0.3735 10 O 3.4053 4.3855 -0.9500 O.2 1 UNL11 -0.5868 11 O 4.3310 2.4497 2.3593 O.2 1 UNL11 -0.1524 12 N -3.3622 0.5085 -1.3508 N.am 1 UNL11 -0.6160 13 N -5.5699 0.2256 -1.8591 N.am 1 UNL11 -0.6206 14 N 0.8224 -2.2678 0.2116 N.ar 1 UNL11 -0.3536 15 N -1.0088 -0.9167 0.1904 N.ar 1 UNL11 -0.3859 16 N -0.1721 -4.2276 1.3571 N.ar 1 UNL11 -0.5100 17 N -2.5102 -3.9259 1.8857 N.ar 1 UNL11 -0.5615 18 N -3.7232 -1.9865 1.4032 N.pl3 1 UNL11 -0.5275 19 C -3.9374 1.8505 -1.1927 C.3 1 UNL11 0.0552 20 C -5.5035 1.6048 -1.3523 C.3 1 UNL11 0.0521 21 C -3.6700 2.5241 0.1606 C.3 1 UNL11 -0.2056 22 C -6.2087 1.7720 0.0010 C.3 1 UNL11 -0.3926 23 C -2.2391 2.3970 0.6621 C.3 1 UNL11 -0.2776 24 C -4.3525 -0.4415 -1.6016 C.2 1 UNL11 0.6997 25 C -1.3014 3.1642 -0.2840 C.3 1 UNL11 -0.2749 26 C 3.9206 -2.2499 -1.6229 C.3 1 UNL11 0.0430 27 C 2.4807 -2.8293 -1.5845 C.3 1 UNL11 0.0265 28 C 4.0088 -1.4213 -0.3281 C.3 1 UNL11 0.0180 29 C 2.1366 -2.8163 -0.0624 C.3 1 UNL11 0.2244 30 C 0.1551 3.0411 0.1715 C.3 1 UNL11 -0.2387 31 C 3.6581 0.0547 -0.5664 C.3 1 UNL11 -0.0883 32 C 1.0485 3.9250 -0.7045 C.3 1 UNL11 -0.3523 33 C -0.2011 -2.9798 0.8299 C.ar 1 UNL11 0.2958 34 C 0.2781 -1.0114 -0.1418 C.ar 1 UNL11 0.1411 35 C -1.3527 -2.1236 0.7976 C.ar 1 UNL11 -0.1795 36 C 2.5152 3.7333 -0.4426 C.2 1 UNL11 0.6640 37 C -2.5470 -2.6714 1.3433 C.ar 1 UNL11 0.4718 38 C -1.3526 -4.6288 1.8757 C.ar 1 UNL11 0.3032 39 H -3.5624 2.4903 -2.0301 H 1 UNL11 0.1512 40 H -5.9319 2.2929 -2.1175 H 1 UNL11 0.1537 41 H -3.9225 3.6097 0.0760 H 1 UNL11 0.1558 42 H -6.9301 0.9617 0.2053 H 1 UNL11 0.1745 43 H -6.7863 2.7109 0.0421 H 1 UNL11 0.1653 44 H -2.1453 2.8024 1.6907 H 1 UNL11 0.1568 45 H -1.9136 1.3364 0.7491 H 1 UNL11 0.1837 46 H -2.4859 0.2421 -0.9124 H 1 UNL11 0.3651 47 H -6.4380 -0.2781 -1.8193 H 1 UNL11 0.3235 48 H -1.4018 2.7722 -1.3154 H 1 UNL11 0.1407 49 H -1.5996 4.2279 -0.3300 H 1 UNL11 0.1308 50 H 4.1614 -1.7051 -2.5555 H 1 UNL11 0.1665 51 H 1.7557 -2.2515 -2.1959 H 1 UNL11 0.1653 52 H 4.9915 -1.5186 0.1933 H 1 UNL11 0.1824 53 H 2.2146 -3.8355 0.4108 H 1 UNL11 0.1970 54 H 0.4758 1.9798 0.1260 H 1 UNL11 0.1610 55 H 0.2639 3.3240 1.2376 H 1 UNL11 0.1586 56 H 2.5800 0.1867 -0.7868 H 1 UNL11 0.1323 57 H 4.2581 0.4679 -1.4018 H 1 UNL11 0.1461 58 H 0.8603 3.7287 -1.7825 H 1 UNL11 0.1733 59 H 0.8023 4.9988 -0.5504 H 1 UNL11 0.1747 60 H 4.8778 -3.7437 -0.7330 H 1 UNL11 0.3286 61 H 3.2745 -4.5481 -2.1493 H 1 UNL11 0.3342 62 H 0.8688 -0.2359 -0.6056 H 1 UNL11 0.1923 63 H -1.3840 -5.6344 2.3303 H 1 UNL11 0.2014 64 H 4.9813 3.5390 -0.4901 H 1 UNL11 0.3653 65 H -3.8553 -1.2195 0.7702 H 1 UNL11 0.3174 66 H -4.5521 -2.4638 1.7147 H 1 UNL11 0.3175 @BOND 1 1 21 1 2 1 22 1 3 2 7 1 4 2 8 1 5 2 9 1 6 2 11 2 7 3 28 1 8 3 29 1 9 4 26 1 10 4 60 1 11 5 27 1 12 5 61 1 13 6 24 2 14 7 31 1 15 8 36 1 16 9 64 1 17 10 36 2 18 12 19 1 19 12 24 am 20 12 46 1 21 13 20 1 22 13 24 am 23 13 47 1 24 14 29 1 25 14 33 ar 26 14 34 ar 27 15 34 ar 28 15 35 ar 29 16 33 ar 30 16 38 ar 31 17 37 ar 32 17 38 ar 33 18 37 1 34 18 65 1 35 18 66 1 36 19 20 1 37 19 39 1 38 20 22 1 39 20 40 1 40 21 19 1 41 21 23 1 42 21 41 1 43 22 42 1 44 22 43 1 45 23 25 1 46 23 44 1 47 23 45 1 48 25 30 1 49 25 48 1 50 25 49 1 51 26 27 1 52 26 50 1 53 27 29 1 54 27 51 1 55 28 26 1 56 28 31 1 57 28 52 1 58 29 53 1 59 30 32 1 60 30 54 1 61 30 55 1 62 31 56 1 63 31 57 1 64 32 36 1 65 32 58 1 66 32 59 1 67 33 35 ar 68 34 62 1 69 35 37 ar 70 38 63 1