@MOLECULE 9-butyl-8-[(3-methoxyphenyl)methyl]purin-6-amine 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.9400 -4.9609 0.7269 C.3 1 UNL1111 -0.4377 2 C 0.9555 -3.7069 -0.1468 C.3 1 UNL1111 -0.2395 3 C -0.0813 -2.6942 0.3493 C.3 1 UNL1111 -0.2922 4 C -0.0508 -1.4365 -0.5362 C.3 1 UNL1111 -0.0736 5 N -0.9858 -0.4371 -0.0381 N.ar 1 UNL1111 -0.3148 6 C -2.3031 -0.3034 -0.4404 C.ar 1 UNL1111 0.2719 7 N -2.9990 -0.9916 -1.3848 N.ar 1 UNL1111 -0.5018 8 C -4.2775 -0.5936 -1.5215 C.ar 1 UNL1111 0.2902 9 C 0.5212 0.6923 1.6906 C.3 1 UNL1111 -0.2833 10 N -4.9072 0.3911 -0.8277 N.ar 1 UNL1111 -0.5761 11 C -2.8507 0.7623 0.3533 C.ar 1 UNL1111 -0.1965 12 C -4.2130 1.0877 0.1189 C.ar 1 UNL1111 0.4645 13 N -4.8638 2.0687 0.7996 N.pl3 1 UNL1111 -0.5612 14 N -1.8742 1.2482 1.2156 N.ar 1 UNL1111 -0.3696 15 C -0.7725 0.5259 0.9818 C.ar 1 UNL1111 0.2525 16 C 1.4305 2.1538 -0.1378 C.ar 1 UNL1111 -0.2350 17 C 1.6255 1.0957 0.7571 C.ar 1 UNL1111 0.0776 18 C 2.8394 0.4199 0.7928 C.ar 1 UNL1111 -0.2905 19 C 2.4504 2.5279 -1.0053 C.ar 1 UNL1111 -0.0589 20 C 3.6782 1.8657 -0.9913 C.ar 1 UNL1111 -0.3110 21 C 3.8580 0.8209 -0.0862 C.ar 1 UNL1111 0.2644 22 O 4.9898 0.0807 0.0544 O.3 1 UNL1111 -0.3219 23 C 6.0966 0.4200 -0.7687 C.3 1 UNL1111 -0.2021 24 H -0.0462 -5.4396 0.7246 H 1 UNL1111 0.1455 25 H 1.1915 -4.7296 1.7678 H 1 UNL1111 0.1423 26 H 1.6639 -5.7020 0.3714 H 1 UNL1111 0.1384 27 H 0.7477 -3.9791 -1.2001 H 1 UNL1111 0.1393 28 H 1.9666 -3.2559 -0.1416 H 1 UNL1111 0.1367 29 H 0.1109 -2.4305 1.4051 H 1 UNL1111 0.1446 30 H -1.0955 -3.1414 0.3303 H 1 UNL1111 0.1588 31 H -0.3311 -1.6973 -1.5876 H 1 UNL1111 0.1740 32 H 0.9741 -0.9957 -0.5696 H 1 UNL1111 0.1617 33 H -4.8893 -1.1196 -2.2749 H 1 UNL1111 0.1980 34 H 0.7732 -0.2404 2.2466 H 1 UNL1111 0.1753 35 H 0.4069 1.4778 2.4840 H 1 UNL1111 0.2009 36 H -5.8265 2.2660 0.6127 H 1 UNL1111 0.3215 37 H -4.3810 2.5915 1.5039 H 1 UNL1111 0.3266 38 H 0.4768 2.6809 -0.1528 H 1 UNL1111 0.1736 39 H 3.0214 -0.4000 1.4819 H 1 UNL1111 0.1740 40 H 2.2914 3.3482 -1.7062 H 1 UNL1111 0.1504 41 H 4.4638 2.1682 -1.6726 H 1 UNL1111 0.1600 42 H 6.8553 -0.3071 -0.4480 H 1 UNL1111 0.1534 43 H 5.8546 0.2792 -1.8267 H 1 UNL1111 0.1349 44 H 6.4358 1.4406 -0.5671 H 1 UNL1111 0.1348 @BOND 1 1 2 1 2 1 24 1 3 1 25 1 4 1 26 1 5 2 3 1 6 2 27 1 7 2 28 1 8 3 4 1 9 3 29 1 10 3 30 1 11 4 5 1 12 4 31 1 13 4 32 1 14 5 6 ar 15 5 15 ar 16 6 7 ar 17 6 11 ar 18 7 8 ar 19 8 10 ar 20 8 33 1 21 9 15 1 22 9 17 1 23 9 34 1 24 9 35 1 25 10 12 ar 26 11 12 ar 27 11 14 ar 28 12 13 1 29 13 36 1 30 13 37 1 31 14 15 ar 32 16 17 ar 33 16 19 ar 34 16 38 1 35 17 18 ar 36 18 21 ar 37 18 39 1 38 19 20 ar 39 19 40 1 40 20 21 ar 41 20 41 1 42 21 22 1 43 22 23 1 44 23 42 1 45 23 43 1 46 23 44 1