@MOLECULE n~2~-(2-cyclohexylethyl)-9-(d-ribofuranosyl)-9h-purine-2,6-diamine 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 O4* 1.7067 -2.2280 -0.9977 O.3 1 UNL1111 -0.4231 2 O2* 1.8140 -3.2215 2.1991 O.3 1 UNL1111 -0.5501 3 O3* -0.9505 -1.7139 1.2216 O.3 1 UNL1111 -0.5390 4 O5* -0.3336 -2.4968 -3.0378 O.3 1 UNL1111 -0.5368 5 N 3.1315 -0.7696 0.1272 N.ar 1 UNL1111 -0.4123 6 N -0.3316 2.5432 0.2085 N.pl3 1 UNL1111 -0.4764 7 N 1.2221 0.7920 0.1802 N.ar 1 UNL1111 -0.6094 8 N 4.8071 0.7496 -0.1905 N.ar 1 UNL1111 -0.3093 9 N 1.9068 3.1464 -0.0499 N.ar 1 UNL1111 -0.6495 10 N 4.1288 3.8017 -0.2782 N.pl3 1 UNL1111 -0.5608 11 C -3.8719 1.1753 -0.1421 C.3 1 UNL1111 -0.0840 12 C -5.2253 1.9015 -0.2452 C.3 1 UNL1111 -0.2843 13 C -3.9705 0.0333 0.8839 C.3 1 UNL1111 -0.2818 14 C2* 1.4576 -2.1347 1.3826 C.3 1 UNL1111 0.0336 15 C1* 2.4530 -2.0528 0.1832 C.3 1 UNL1111 0.2616 16 C3* 0.1042 -2.5034 0.7317 C.3 1 UNL1111 0.0985 17 C -6.3220 0.9139 -0.6647 C.3 1 UNL1111 -0.2635 18 C -5.0733 -0.9542 0.4819 C.3 1 UNL1111 -0.2658 19 C4* 0.2997 -2.1035 -0.7436 C.3 1 UNL1111 0.0376 20 C -6.4234 -0.2385 0.3433 C.3 1 UNL1111 -0.2677 21 C -2.7708 2.1778 0.2507 C.3 1 UNL1111 -0.3207 22 C -1.3928 1.5267 0.0863 C.3 1 UNL1111 -0.0539 23 C5* -0.3683 -3.0490 -1.7393 C.3 1 UNL1111 -0.0232 24 C 2.5277 0.4824 0.0766 C.ar 1 UNL1111 0.3567 25 C 4.5285 -0.5408 -0.0832 C.ar 1 UNL1111 0.1147 26 C 3.5928 1.4295 -0.0952 C.ar 1 UNL1111 -0.2670 27 C 0.9695 2.1444 0.1010 C.ar 1 UNL1111 0.5729 28 C 3.2193 2.8001 -0.1411 C.ar 1 UNL1111 0.5082 29 H -3.6275 0.7377 -1.1411 H 1 UNL1111 0.1418 30 H -5.4847 2.3632 0.7244 H 1 UNL1111 0.1364 31 H -5.1629 2.7286 -0.9746 H 1 UNL1111 0.1306 32 H -3.0019 -0.5010 0.9552 H 1 UNL1111 0.1537 33 H -4.1746 0.4410 1.8894 H 1 UNL1111 0.1322 34 H2* 1.3976 -1.1953 1.9701 H 1 UNL1111 0.1674 35 H1* 3.2066 -2.8797 0.1794 H 1 UNL1111 0.1637 36 H3* -0.1471 -3.5736 0.8848 H 1 UNL1111 0.1462 37 H -7.2927 1.4348 -0.7462 H 1 UNL1111 0.1281 38 H -6.1047 0.5137 -1.6729 H 1 UNL1111 0.1372 39 H -4.8066 -1.4480 -0.4715 H 1 UNL1111 0.1393 40 H -5.1482 -1.7621 1.2317 H 1 UNL1111 0.1263 41 H4* 0.0163 -1.0357 -0.9168 H 1 UNL1111 0.1932 42 H -7.2027 -0.9537 0.0245 H 1 UNL1111 0.1279 43 H -6.7468 0.1483 1.3269 H 1 UNL1111 0.1339 44 H -2.9151 2.5202 1.2919 H 1 UNL1111 0.1484 45 H -2.8509 3.0824 -0.3816 H 1 UNL1111 0.1413 46 H -1.3115 1.0105 -0.9000 H 1 UNL1111 0.1488 47 H -1.2240 0.7357 0.8613 H 1 UNL1111 0.1783 48 H5*1 0.1211 -4.0395 -1.7651 H 1 UNL1111 0.1268 49 H5*2 -1.4500 -3.1607 -1.5309 H 1 UNL1111 0.1531 50 H2* 2.5306 -2.9760 2.8190 H 1 UNL1111 0.3258 51 H3* -1.0364 -1.8196 2.1919 H 1 UNL1111 0.3237 52 H 5.2325 -1.3542 -0.1243 H 1 UNL1111 0.1909 53 H -0.5600 3.5141 0.0509 H 1 UNL1111 0.3250 54 H5* 0.5704 -2.1636 -3.2300 H 1 UNL1111 0.3255 55 H 3.8353 4.7571 -0.3190 H 1 UNL1111 0.3214 56 H 5.1007 3.5798 -0.3757 H 1 UNL1111 0.3280 @BOND 1 1 15 1 2 1 19 1 3 2 14 1 4 2 50 1 5 3 16 1 6 3 51 1 7 4 23 1 8 4 54 1 9 5 15 1 10 5 24 ar 11 5 25 ar 12 6 22 1 13 6 27 1 14 6 53 1 15 7 24 ar 16 7 27 ar 17 8 25 ar 18 8 26 ar 19 9 27 ar 20 9 28 ar 21 10 28 1 22 10 55 1 23 10 56 1 24 11 12 1 25 11 13 1 26 11 21 1 27 11 29 1 28 12 17 1 29 12 30 1 30 12 31 1 31 13 18 1 32 13 32 1 33 13 33 1 34 14 15 1 35 14 16 1 36 14 34 1 37 15 35 1 38 16 19 1 39 16 36 1 40 17 20 1 41 17 37 1 42 17 38 1 43 18 20 1 44 18 39 1 45 18 40 1 46 19 23 1 47 19 41 1 48 20 42 1 49 20 43 1 50 21 22 1 51 21 44 1 52 21 45 1 53 22 46 1 54 22 47 1 55 23 48 1 56 23 49 1 57 24 26 ar 58 25 52 1 59 26 28 ar