@MOLECULE 9-(alpha-l-lyxofuranosyl)-n-(2-phenylethyl)-9h-purin-6-amine 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.6474 0.9452 0.6704 C.3 1 UNL1111 -0.3097 2 C 3.7504 0.0881 -0.2438 C.3 1 UNL1111 -0.0576 3 C 1.2871 -0.1113 -0.2924 C.ar 1 UNL1111 0.4576 4 O5* -6.2463 2.5928 1.0617 O.3 1 UNL1111 -0.5402 5 C5* -6.2568 1.1876 0.9455 C.3 1 UNL1111 -0.0058 6 C4* -4.8215 0.6700 0.8310 C.3 1 UNL1111 0.0360 7 C3* -4.6891 -0.8551 1.0217 C.3 1 UNL1111 0.0500 8 O3* -5.9928 -1.3638 1.1741 O.3 1 UNL1111 -0.5483 9 O4* -4.4213 0.9579 -0.5193 O.3 1 UNL1111 -0.4375 10 C1* -3.6195 -0.0766 -1.0325 C.3 1 UNL1111 0.2514 11 C2* -4.0498 -1.3742 -0.2969 C.3 1 UNL1111 0.0356 12 O2* -4.9873 -2.0508 -1.0800 O.3 1 UNL1111 -0.5100 13 N -2.2304 0.3216 -0.8001 N.ar 1 UNL1111 -0.3924 14 C -1.7663 1.6621 -0.9255 C.ar 1 UNL1111 0.1468 15 N -0.4523 1.7486 -0.7481 N.ar 1 UNL1111 -0.3437 16 C -0.0042 0.4534 -0.4986 C.ar 1 UNL1111 -0.2101 17 C -1.1162 -0.4536 -0.5150 C.ar 1 UNL1111 0.2962 18 N 1.3829 -1.4640 -0.0987 N.ar 1 UNL1111 -0.5779 19 C 0.2580 -2.2167 -0.1016 C.ar 1 UNL1111 0.3059 20 N -1.0072 -1.7906 -0.2997 N.ar 1 UNL1111 -0.5362 21 N 2.4003 0.6587 -0.2938 N.pl3 1 UNL1111 -0.4622 22 C 6.0668 0.5014 0.4943 C.ar 1 UNL1111 0.0085 23 C 6.8910 1.1424 -0.4329 C.ar 1 UNL1111 -0.1755 24 C 8.2027 0.7105 -0.6152 C.ar 1 UNL1111 -0.1373 25 C 8.6955 -0.3617 0.1266 C.ar 1 UNL1111 -0.1593 26 C 7.8739 -1.0009 1.0537 C.ar 1 UNL1111 -0.1372 27 C 6.5620 -0.5713 1.2385 C.ar 1 UNL1111 -0.1708 28 H 4.5346 2.0229 0.4371 H 1 UNL1111 0.1551 29 H 4.3216 0.8427 1.7265 H 1 UNL1111 0.1653 30 H 4.1676 0.0465 -1.2778 H 1 UNL1111 0.1482 31 H 3.7162 -0.9668 0.1269 H 1 UNL1111 0.1850 32 H5* -5.7981 2.9918 0.2865 H 1 UNL1111 0.3192 33 H5*1 -6.7429 0.8490 1.8823 H 1 UNL1111 0.1640 34 H5*2 -6.8756 0.8906 0.0806 H 1 UNL1111 0.1346 35 H4* -4.1272 1.2387 1.4872 H 1 UNL1111 0.1579 36 H3* -4.0981 -1.1278 1.9190 H 1 UNL1111 0.1471 37 H3* -5.9903 -2.3456 1.0859 H 1 UNL1111 0.3375 38 H1* -3.8322 -0.0956 -2.1323 H 1 UNL1111 0.1756 39 H2* -3.2386 -2.1263 -0.1571 H 1 UNL1111 0.2128 40 H2* -5.8257 -1.5319 -1.1545 H 1 UNL1111 0.3268 41 H -2.4439 2.4776 -1.1340 H 1 UNL1111 0.2068 42 H 0.3967 -3.2985 0.0719 H 1 UNL1111 0.1982 43 H 2.3036 1.6557 -0.4520 H 1 UNL1111 0.3338 44 H 6.5112 1.9790 -1.0153 H 1 UNL1111 0.1522 45 H 8.8436 1.2109 -1.3386 H 1 UNL1111 0.1486 46 H 9.7195 -0.6988 -0.0176 H 1 UNL1111 0.1494 47 H 8.2583 -1.8377 1.6339 H 1 UNL1111 0.1490 48 H 5.9218 -1.0753 1.9604 H 1 UNL1111 0.1565 @BOND 1 1 2 1 2 1 22 1 3 1 28 1 4 1 29 1 5 2 21 1 6 2 30 1 7 2 31 1 8 3 16 ar 9 3 18 ar 10 3 21 1 11 4 5 1 12 4 32 1 13 5 6 1 14 5 33 1 15 5 34 1 16 6 7 1 17 6 9 1 18 6 35 1 19 7 8 1 20 7 11 1 21 7 36 1 22 8 37 1 23 9 10 1 24 10 11 1 25 10 13 1 26 10 38 1 27 11 12 1 28 11 39 1 29 12 40 1 30 13 14 ar 31 13 17 ar 32 14 15 ar 33 14 41 1 34 15 16 ar 35 16 17 ar 36 17 20 ar 37 18 19 ar 38 19 20 ar 39 19 42 1 40 21 43 1 41 22 23 ar 42 22 27 ar 43 23 24 ar 44 23 44 1 45 24 25 ar 46 24 45 1 47 25 26 ar 48 25 46 1 49 26 27 ar 50 26 47 1 51 27 48 1