@MOLECULE 9-{[(1,3-diisopropoxy-2-propanyl)oxy]methyl}-9h-purin-2-amine 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1769 0.3369 0.7359 O.3 1 UNL1111111111 -0.4528 2 O 4.0209 -0.2823 0.2849 O.3 1 UNL1111111111 -0.4333 3 O 0.7945 -2.7124 0.0436 O.3 1 UNL1111111111 -0.4108 4 N -0.6850 1.5902 0.8449 N.ar 1 UNL1111111111 -0.3682 5 N -1.3725 2.7798 -0.9825 N.ar 1 UNL1111111111 -0.3236 6 N -2.6103 0.0416 1.0171 N.ar 1 UNL1111111111 -0.5545 7 N -4.3189 0.5136 -0.6973 N.ar 1 UNL1111111111 -0.5182 8 N -4.5820 -1.2060 0.8656 N.pl3 1 UNL1111111111 -0.5680 9 C 1.8608 -0.8348 1.1570 C.3 1 UNL1111111111 0.0553 10 C 2.8798 -1.0711 0.0265 C.3 1 UNL1111111111 -0.0384 11 C 0.9019 -2.0323 1.2730 C.3 1 UNL1111111111 -0.0948 12 C 0.3113 0.9394 1.6774 C.3 1 UNL1111111111 0.1570 13 C 4.2956 0.7372 -0.6724 C.3 1 UNL1111111111 0.1754 14 C -0.1392 -2.1502 -0.8798 C.3 1 UNL1111111111 0.1525 15 C -1.9054 1.0448 0.4580 C.ar 1 UNL1111111111 0.3115 16 C 3.2469 1.8457 -0.6124 C.3 1 UNL1111111111 -0.4960 17 C 5.6785 1.2372 -0.2457 C.3 1 UNL1111111111 -0.4750 18 C -1.5227 -2.7254 -0.5809 C.3 1 UNL1111111111 -0.4976 19 C 0.3815 -2.6077 -2.2432 C.3 1 UNL1111111111 -0.4676 20 C -0.3898 2.6109 -0.1134 C.ar 1 UNL1111111111 0.1545 21 C -2.3497 1.8268 -0.6742 C.ar 1 UNL1111111111 -0.1753 22 C -3.5978 1.5061 -1.2236 C.ar 1 UNL1111111111 0.1982 23 C -3.8126 -0.1812 0.3914 C.ar 1 UNL1111111111 0.5301 24 H 2.3779 -0.6218 2.1170 H 1 UNL1111111111 0.1361 25 H 2.4296 -0.8741 -0.9610 H 1 UNL1111111111 0.1427 26 H 3.2532 -2.1143 0.0508 H 1 UNL1111111111 0.1499 27 H -0.0920 -1.7347 1.6514 H 1 UNL1111111111 0.1387 28 H 1.3194 -2.8118 1.9402 H 1 UNL1111111111 0.1465 29 H 0.8991 1.7040 2.2348 H 1 UNL1111111111 0.1434 30 H -0.1655 0.2062 2.3639 H 1 UNL1111111111 0.1534 31 H 4.3326 0.2713 -1.6823 H 1 UNL1111111111 0.1089 32 H -0.1339 -1.0411 -0.7966 H 1 UNL1111111111 0.1264 33 H 3.0781 2.1608 0.4251 H 1 UNL1111111111 0.1573 34 H 2.2798 1.5004 -1.0014 H 1 UNL1111111111 0.1625 35 H 3.5527 2.7200 -1.1929 H 1 UNL1111111111 0.1453 36 H 5.6489 1.6550 0.7676 H 1 UNL1111111111 0.1558 37 H 6.4027 0.4134 -0.2297 H 1 UNL1111111111 0.1560 38 H 6.0489 2.0090 -0.9252 H 1 UNL1111111111 0.1472 39 H -1.8972 -2.3733 0.3875 H 1 UNL1111111111 0.1556 40 H -2.2505 -2.4347 -1.3444 H 1 UNL1111111111 0.1505 41 H -1.4909 -3.8201 -0.5398 H 1 UNL1111111111 0.1582 42 H 0.4905 -3.6991 -2.2739 H 1 UNL1111111111 0.1591 43 H 1.3662 -2.1781 -2.4575 H 1 UNL1111111111 0.1497 44 H -0.3030 -2.3107 -3.0439 H 1 UNL1111111111 0.1516 45 H 0.5345 3.1681 -0.0662 H 1 UNL1111111111 0.1994 46 H -4.0236 2.0425 -2.0826 H 1 UNL1111111111 0.1953 47 H -5.4874 -1.3700 0.4711 H 1 UNL1111111111 0.3269 48 H -4.3115 -1.6962 1.6935 H 1 UNL1111111111 0.3230 @BOND 1 1 9 1 2 1 12 1 3 2 10 1 4 2 13 1 5 3 11 1 6 3 14 1 7 4 12 1 8 4 15 ar 9 4 20 ar 10 5 20 ar 11 5 21 ar 12 6 15 ar 13 6 23 ar 14 7 22 ar 15 7 23 ar 16 8 23 1 17 8 47 1 18 8 48 1 19 9 10 1 20 9 11 1 21 9 24 1 22 10 25 1 23 10 26 1 24 11 27 1 25 11 28 1 26 12 29 1 27 12 30 1 28 13 16 1 29 13 17 1 30 13 31 1 31 14 18 1 32 14 19 1 33 14 32 1 34 15 21 ar 35 16 33 1 36 16 34 1 37 16 35 1 38 17 36 1 39 17 37 1 40 17 38 1 41 18 39 1 42 18 40 1 43 18 41 1 44 19 42 1 45 19 43 1 46 19 44 1 47 20 45 1 48 21 22 ar 49 22 46 1