@MOLECULE 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine 31 33 0 0 0 SMALL GASTEIGER @ATOM 1 O4* -1.6070 -0.5398 -0.9416 O.3 1 UNL11 -0.4070 2 O3* -4.6102 -0.6843 0.1847 O.3 1 UNL11 -0.5484 3 O5* -1.0724 1.9532 -1.7161 O.3 1 UNL11 -0.5201 4 N -0.0081 -0.4884 0.7450 N.ar 1 UNL11 -0.2424 5 N 0.0152 0.6774 1.4770 N.ar 1 UNL11 -0.2211 6 N 1.6185 -1.7117 -0.6569 N.ar 1 UNL11 -0.5122 7 N 3.8048 -0.6880 -0.7170 N.ar 1 UNL11 -0.5740 8 N 4.3583 1.2684 0.4064 N.pl3 1 UNL11 -0.5635 9 C1* -1.2648 -1.1113 0.3003 C.3 1 UNL11 0.3127 10 C3* -3.4278 0.0081 0.4832 C.3 1 UNL11 0.1330 11 C2* -2.4385 -0.8842 1.2609 C.3 1 UNL11 -0.3888 12 C4* -2.6742 0.3957 -0.8074 C.3 1 UNL11 0.0007 13 C5* -2.0957 1.8173 -0.7549 C.3 1 UNL11 -0.0495 14 C 1.2305 -0.6896 0.1448 C.ar 1 UNL11 0.3289 15 C 2.0869 0.3798 0.5861 C.ar 1 UNL11 -0.3991 16 C 1.2498 1.1906 1.4240 C.ar 1 UNL11 0.0056 17 C 3.4153 0.3358 0.1023 C.ar 1 UNL11 0.4909 18 C 2.9085 -1.6484 -1.0484 C.ar 1 UNL11 0.3192 19 H1* -1.0304 -2.1835 0.0587 H 1 UNL11 0.1793 20 H3* -3.7987 0.8736 1.0698 H 1 UNL11 0.1573 21 H2*1 -2.1212 -0.4024 2.2064 H 1 UNL11 0.1947 22 H2*2 -2.9116 -1.8353 1.5607 H 1 UNL11 0.1749 23 H4* -3.2702 0.2315 -1.7312 H 1 UNL11 0.1673 24 H5*1 -1.6864 2.0688 0.2415 H 1 UNL11 0.1388 25 H5*2 -2.8418 2.5762 -1.0527 H 1 UNL11 0.1468 26 H3* -4.4370 -1.4741 -0.3688 H 1 UNL11 0.3219 27 H 1.5186 2.0866 1.9576 H 1 UNL11 0.1860 28 H5* -0.4040 1.2467 -1.5631 H 1 UNL11 0.3226 29 H 3.2740 -2.4558 -1.7088 H 1 UNL11 0.2043 30 H 4.1437 2.0544 0.9791 H 1 UNL11 0.3140 31 H 5.2828 1.1932 0.0222 H 1 UNL11 0.3274 @BOND 1 1 9 1 2 1 12 1 3 2 10 1 4 2 26 1 5 3 13 1 6 3 28 1 7 4 5 ar 8 4 9 1 9 4 14 ar 10 5 16 ar 11 6 14 ar 12 6 18 ar 13 7 17 ar 14 7 18 ar 15 8 17 1 16 8 30 1 17 8 31 1 18 9 11 1 19 9 19 1 20 10 11 1 21 10 12 1 22 10 20 1 23 11 21 1 24 11 22 1 25 12 13 1 26 12 23 1 27 13 24 1 28 13 25 1 29 14 15 ar 30 15 16 ar 31 15 17 ar 32 16 27 1 33 18 29 1