@MOLECULE 1-pentofuranosyl-1,2-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one 31 33 0 0 0 SMALL GASTEIGER @ATOM 1 O4* 2.0029 1.0992 0.1145 O.3 1 UNL1111 -0.4225 2 O2* 1.9667 -0.3640 -2.6937 O.3 1 UNL1111 -0.5105 3 O3* 1.6440 -2.3569 0.1433 O.3 1 UNL1111 -0.5369 4 O5* 4.0498 0.9707 2.1105 O.3 1 UNL1111 -0.5267 5 O -4.8548 0.3332 0.3893 O.2 1 UNL1111 -0.4007 6 N -0.2695 1.0081 -0.1815 N.ar 1 UNL1111 -0.3043 7 N -0.9625 2.2240 -0.4799 N.ar 1 UNL1111 -0.2924 8 N -1.0740 -1.2572 0.2580 N.ar 1 UNL1111 -0.6283 9 N -3.4627 -1.4791 0.5990 N.ar 1 UNL1111 -0.5404 10 C1* 1.0330 0.8690 -0.8692 C.3 1 UNL1111 0.2284 11 C2* 1.3278 -0.5387 -1.4636 C.3 1 UNL1111 0.0393 12 C3* 2.2348 -1.2277 -0.4089 C.3 1 UNL1111 0.0769 13 C4* 2.4660 -0.1438 0.6704 C.3 1 UNL1111 -0.0033 14 C5* 3.9365 0.1053 1.0026 C.3 1 UNL1111 -0.0245 15 C -1.2537 0.0314 0.0387 C.ar 1 UNL1111 0.4145 16 C -2.5460 0.7137 0.0747 C.ar 1 UNL1111 -0.4022 17 C -2.3163 2.0413 -0.1823 C.ar 1 UNL1111 0.1650 18 C -3.7348 -0.1044 0.3551 C.ar 1 UNL1111 0.6050 19 C -2.2574 -1.9660 0.5552 C.ar 1 UNL1111 0.3328 20 H1* 1.1722 1.6906 -1.6183 H 1 UNL1111 0.1745 21 H2* 0.4291 -1.1417 -1.7241 H 1 UNL1111 0.1976 22 H3* 3.1718 -1.6223 -0.8585 H 1 UNL1111 0.1636 23 H4* 1.8644 -0.3397 1.5863 H 1 UNL1111 0.1730 24 H5*1 4.4890 0.5442 0.1524 H 1 UNL1111 0.1254 25 H5*2 4.4381 -0.8219 1.3460 H 1 UNL1111 0.1599 26 H -0.4400 3.0477 -0.1832 H 1 UNL1111 0.3333 27 H2* 2.8692 0.0091 -2.5868 H 1 UNL1111 0.3166 28 H3* 0.6884 -2.1846 0.3720 H 1 UNL1111 0.3614 29 H -3.0130 2.8729 -0.2392 H 1 UNL1111 0.2041 30 H5* 3.4834 1.7606 1.9748 H 1 UNL1111 0.3204 31 H -2.0886 -3.0400 0.7557 H 1 UNL1111 0.2007 @BOND 1 1 10 1 2 1 13 1 3 2 11 1 4 2 27 1 5 3 12 1 6 3 28 1 7 4 14 1 8 4 30 1 9 5 18 2 10 6 7 ar 11 6 10 1 12 6 15 ar 13 7 17 ar 14 7 26 1 15 8 15 ar 16 8 19 ar 17 9 18 ar 18 9 19 ar 19 10 11 1 20 10 20 1 21 11 12 1 22 11 21 1 23 12 13 1 24 12 22 1 25 13 14 1 26 13 23 1 27 14 24 1 28 14 25 1 29 15 16 ar 30 16 17 ar 31 16 18 ar 32 17 29 1 33 19 31 1