@MOLECULE (2r,3r,4s,5r)-5-[6-amino-2-(1-hexyn-1-yl)-9h-purin-9-yl]-n-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6608 2.5194 -0.3451 O.3 1 UNL11 -0.3544 2 O -0.7929 1.4536 2.7039 O.3 1 UNL11 -0.5039 3 O 1.0662 -0.2315 1.6891 O.3 1 UNL11 -0.5504 4 O 3.2638 3.0308 -0.5048 O.2 1 UNL11 -0.4961 5 N -1.5877 2.2598 0.1374 N.ar 1 UNL11 -0.3556 6 N 3.8464 0.8451 -0.3450 N.am 1 UNL11 -0.6118 7 N -3.5163 2.3843 -1.0877 N.ar 1 UNL11 -0.3280 8 N -1.4873 -0.2160 0.3604 N.ar 1 UNL11 -0.5942 9 N -3.3365 -1.3551 -0.7136 N.ar 1 UNL11 -0.5525 10 N -5.0575 -0.2332 -1.8178 N.pl3 1 UNL11 -0.5384 11 C 0.2022 2.0656 1.9651 C.3 1 UNL11 0.0594 12 C -0.3108 2.7412 0.6509 C.3 1 UNL11 0.2219 13 C 1.3432 1.1156 1.4968 C.3 1 UNL11 0.0847 14 C 1.5089 1.4298 -0.0087 C.3 1 UNL11 -0.0571 15 C 2.9341 1.8811 -0.3263 C.2 1 UNL11 0.5530 16 C -2.0174 0.9557 -0.0639 C.ar 1 UNL11 0.3187 17 C -2.5324 3.0882 -0.5415 C.ar 1 UNL11 0.1394 18 C -3.2371 1.0463 -0.8172 C.ar 1 UNL11 -0.2124 19 C 5.2484 1.0870 -0.6991 C.3 1 UNL11 -0.0416 20 C -3.8924 -0.1731 -1.1273 C.ar 1 UNL11 0.4772 21 C -2.1814 -1.3334 -0.0032 C.ar 1 UNL11 0.4920 22 C 5.6154 0.3493 -1.9908 C.3 1 UNL11 -0.4707 23 C -1.6156 -2.5611 0.4054 C.1 1 UNL11 -0.1847 24 C 1.0627 -4.7474 0.7679 C.3 1 UNL11 -0.2554 25 C -0.4269 -4.7969 1.1657 C.3 1 UNL11 -0.2615 26 C 1.2319 -4.7890 -0.7559 C.3 1 UNL11 -0.2503 27 C -1.0896 -3.5954 0.7600 C.1 1 UNL11 0.0795 28 C 2.7085 -4.7147 -1.1416 C.3 1 UNL11 -0.4406 29 H 0.5836 2.8485 2.6622 H 1 UNL11 0.1635 30 H -0.3646 3.8575 0.7377 H 1 UNL11 0.1648 31 H 2.2726 1.2643 2.0889 H 1 UNL11 0.1636 32 H 1.1908 0.5769 -0.6516 H 1 UNL11 0.1731 33 H -1.0335 0.5667 2.3321 H 1 UNL11 0.3452 34 H 0.2202 -0.4977 1.2312 H 1 UNL11 0.3607 35 H -2.4286 4.1625 -0.5668 H 1 UNL11 0.1987 36 H 3.5621 -0.1106 -0.2094 H 1 UNL11 0.3160 37 H 5.4213 2.1848 -0.8193 H 1 UNL11 0.1674 38 H 5.8955 0.7523 0.1428 H 1 UNL11 0.1300 39 H 5.4930 -0.7342 -1.8941 H 1 UNL11 0.1457 40 H 4.9869 0.6809 -2.8279 H 1 UNL11 0.1612 41 H 6.6574 0.5424 -2.2687 H 1 UNL11 0.1499 42 H -5.4891 -1.1152 -2.0171 H 1 UNL11 0.3240 43 H -5.4907 0.6111 -2.1426 H 1 UNL11 0.3293 44 H 1.5299 -3.8288 1.1761 H 1 UNL11 0.1544 45 H 1.5993 -5.5931 1.2346 H 1 UNL11 0.1369 46 H -0.9127 -5.6947 0.7153 H 1 UNL11 0.1697 47 H -0.5149 -4.9393 2.2703 H 1 UNL11 0.1713 48 H 0.6779 -3.9477 -1.2202 H 1 UNL11 0.1495 49 H 0.7783 -5.7104 -1.1664 H 1 UNL11 0.1327 50 H 3.1749 -3.7959 -0.7685 H 1 UNL11 0.1435 51 H 2.8338 -4.7285 -2.2305 H 1 UNL11 0.1429 52 H 3.2744 -5.5609 -0.7370 H 1 UNL11 0.1395 @BOND 1 1 12 1 2 1 14 1 3 2 11 1 4 2 33 1 5 3 13 1 6 3 34 1 7 4 15 2 8 5 12 1 9 5 16 ar 10 5 17 ar 11 6 15 am 12 6 19 1 13 6 36 1 14 7 17 ar 15 7 18 ar 16 8 16 ar 17 8 21 ar 18 9 20 ar 19 9 21 ar 20 10 20 1 21 10 42 1 22 10 43 1 23 11 12 1 24 11 29 1 25 12 30 1 26 13 11 1 27 13 31 1 28 14 13 1 29 14 15 1 30 14 32 1 31 16 18 ar 32 17 35 1 33 18 20 ar 34 19 22 1 35 19 37 1 36 19 38 1 37 21 23 1 38 22 39 1 39 22 40 1 40 22 41 1 41 23 27 3 42 24 25 1 43 24 26 1 44 24 44 1 45 24 45 1 46 25 27 1 47 25 46 1 48 25 47 1 49 26 28 1 50 26 48 1 51 26 49 1 52 28 50 1 53 28 51 1 54 28 52 1