@MOLECULE 6-isopropoxy-9-(beta-d-ribofuranosyl)-9h-purin-2-amine 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 O4* -3.0089 0.8576 -0.8324 O.3 1 UNL111111111 -0.4259 2 O2* -2.2636 -2.4394 0.0917 O.3 1 UNL111111111 -0.5578 3 O3* -4.7858 -1.6404 -0.0019 O.3 1 UNL111111111 -0.5380 4 O5* -4.2112 2.9870 0.5486 O.3 1 UNL111111111 -0.5203 5 O 3.7737 1.0383 -0.0608 O.3 1 UNL111111111 -0.2748 6 N -0.7497 0.4224 -0.6294 N.ar 1 UNL111111111 -0.3881 7 N 0.9258 1.9601 -0.5573 N.ar 1 UNL111111111 -0.2903 8 N 0.5783 -1.6280 -0.2657 N.ar 1 UNL111111111 -0.6302 9 N 2.9694 -1.1457 0.0116 N.ar 1 UNL111111111 -0.6484 10 N 2.1587 -3.3372 -0.0408 N.pl3 1 UNL111111111 -0.5640 11 C2* -2.4146 -1.0926 0.4379 C.3 1 UNL111111111 0.0358 12 C1* -2.0663 -0.1868 -0.7841 C.3 1 UNL111111111 0.2545 13 C3* -3.9094 -0.7883 0.6877 C.3 1 UNL111111111 0.0882 14 C4* -4.0802 0.6267 0.0946 C.3 1 UNL111111111 0.0255 15 C5* -4.0025 1.7303 1.1537 C.3 1 UNL111111111 -0.0471 16 C 0.4179 -0.2875 -0.4116 C.ar 1 UNL111111111 0.3058 17 C -0.3815 1.7950 -0.7198 C.ar 1 UNL111111111 0.1369 18 C 1.4692 0.6929 -0.3602 C.ar 1 UNL111111111 -0.2067 19 C 2.7706 0.1815 -0.1293 C.ar 1 UNL111111111 0.5164 20 C 1.8861 -1.9955 -0.0918 C.ar 1 UNL111111111 0.5837 21 C 5.1178 0.5310 0.1930 C.3 1 UNL111111111 0.1640 22 C 5.9701 1.6820 -0.3270 C.3 1 UNL111111111 -0.4751 23 C 5.2580 0.3086 1.6897 C.3 1 UNL111111111 -0.4900 24 H2* -1.7885 -0.8690 1.3279 H 1 UNL111111111 0.1509 25 H1* -2.1256 -0.7278 -1.7642 H 1 UNL111111111 0.1735 26 H3* -4.1974 -0.8656 1.7560 H 1 UNL111111111 0.1496 27 H4* -4.9958 0.7112 -0.5357 H 1 UNL111111111 0.1839 28 H5*1 -3.0302 1.7397 1.6786 H 1 UNL111111111 0.1295 29 H5*2 -4.8263 1.6572 1.8890 H 1 UNL111111111 0.1523 30 H2* -1.2910 -2.6118 -0.0630 H 1 UNL111111111 0.3715 31 H3* -4.2930 -2.4095 -0.3762 H 1 UNL111111111 0.3491 32 H -1.1142 2.5647 -0.9043 H 1 UNL111111111 0.2031 33 H5* -3.5626 3.1071 -0.1799 H 1 UNL111111111 0.3190 34 H 5.2706 -0.4040 -0.3896 H 1 UNL111111111 0.1487 35 H 7.0346 1.4920 -0.1567 H 1 UNL111111111 0.1548 36 H 5.8183 1.8356 -1.4040 H 1 UNL111111111 0.1642 37 H 5.7118 2.6288 0.1679 H 1 UNL111111111 0.1680 38 H 6.2962 0.1004 1.9686 H 1 UNL111111111 0.1553 39 H 4.6488 -0.5442 2.0216 H 1 UNL111111111 0.1671 40 H 4.9263 1.1867 2.2593 H 1 UNL111111111 0.1645 41 H 1.3985 -3.9889 -0.0065 H 1 UNL111111111 0.3183 42 H 3.0607 -3.6397 0.2714 H 1 UNL111111111 0.3224 @BOND 1 1 12 1 2 1 14 1 3 2 11 1 4 2 30 1 5 3 13 1 6 3 31 1 7 4 15 1 8 4 33 1 9 5 19 1 10 5 21 1 11 6 12 1 12 6 16 ar 13 6 17 ar 14 7 17 ar 15 7 18 ar 16 8 16 ar 17 8 20 ar 18 9 19 ar 19 9 20 ar 20 10 20 1 21 10 41 1 22 10 42 1 23 11 12 1 24 11 13 1 25 11 24 1 26 12 25 1 27 13 14 1 28 13 26 1 29 14 15 1 30 14 27 1 31 15 28 1 32 15 29 1 33 16 18 ar 34 17 32 1 35 18 19 ar 36 21 22 1 37 21 23 1 38 21 34 1 39 22 35 1 40 22 36 1 41 22 37 1 42 23 38 1 43 23 39 1 44 23 40 1