@MOLECULE 4-amino-1-(beta-d-ribofuranosyl)-1h-pyrazolo[3,4-d]pyrimidine-3-carboxamide 36 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C1* -1.5825 1.0237 -0.5293 C.3 1 UNL1 0.2435 2 C2* -2.6180 0.1321 -1.2661 C.3 1 UNL1 0.0558 3 C3* -3.3194 -0.6600 -0.1237 C.3 1 UNL1 0.0467 4 C4* -2.7442 -0.0819 1.1831 C.3 1 UNL1 0.0332 5 C 2.3649 2.9365 0.1295 C.ar 1 UNL1 0.3251 6 C5* -1.8822 -1.0923 1.9568 C.3 1 UNL1 -0.0477 7 H2* -4.0631 1.4832 -1.3322 H 1 UNL1 0.3355 8 H3* -5.1143 -0.5848 -0.9572 H 1 UNL1 0.3303 9 H5* -0.4978 0.2434 2.3340 H 1 UNL1 0.3234 10 H 5.2741 0.3957 0.4599 H 1 UNL1 0.3250 11 H 4.3003 -1.0098 0.1156 H 1 UNL1 0.3542 12 H 1.5898 -4.3489 -0.6602 H 1 UNL1 0.3160 13 H 0.2115 -3.3342 -0.7690 H 1 UNL1 0.3188 14 C 1.3668 -1.0052 -0.4604 C.ar 1 UNL1 0.0133 15 C 3.2870 0.7724 0.1032 C.ar 1 UNL1 0.4876 16 O 3.2156 -2.4863 -0.3326 O.2 1 UNL1 -0.5618 17 O2* -3.5223 0.9381 -1.9574 O.3 1 UNL1 -0.5209 18 O3* -4.6963 -0.3671 -0.0934 O.3 1 UNL1 -0.5406 19 O5* -1.0210 -0.4175 2.8441 O.3 1 UNL1 -0.5117 20 C 2.0123 -2.3371 -0.4767 C.2 1 UNL1 0.6226 21 O4* -1.9286 1.0365 0.8298 O.3 1 UNL1 -0.3929 22 N 4.3777 -0.0065 0.2559 N.pl3 1 UNL1 -0.5306 23 N 0.0509 -0.8231 -0.6890 N.ar 1 UNL1 -0.2358 24 N 1.0967 2.5561 -0.1582 N.ar 1 UNL1 -0.5217 25 N 3.4368 2.1284 0.2668 N.ar 1 UNL1 -0.5729 26 C 0.9458 1.2213 -0.3114 C.ar 1 UNL1 0.3306 27 C 2.0001 0.2515 -0.2063 C.ar 1 UNL1 -0.3583 28 N 1.1992 -3.4281 -0.6481 N.am 1 UNL1 -0.6315 29 N -0.2118 0.5177 -0.6492 N.ar 1 UNL1 -0.2140 30 H1* -1.5807 2.1035 -0.8447 H 1 UNL1 0.1998 31 H2* -2.1747 -0.5084 -2.0574 H 1 UNL1 0.1809 32 H3* -3.1893 -1.7545 -0.2253 H 1 UNL1 0.1384 33 H4* -3.5302 0.3738 1.8295 H 1 UNL1 0.1797 34 H 2.5387 4.0191 0.2693 H 1 UNL1 0.2029 35 H5*1 -2.4987 -1.7288 2.6187 H 1 UNL1 0.1488 36 H5*2 -1.2759 -1.7306 1.2895 H 1 UNL1 0.1282 @BOND 1 31 2 1 2 17 7 1 3 17 2 1 4 2 1 1 5 2 3 1 6 8 18 1 7 30 1 1 8 13 28 1 9 23 29 ar 10 23 14 ar 11 12 28 1 12 29 1 1 13 29 26 ar 14 28 20 am 15 1 21 1 16 20 14 1 17 20 16 2 18 14 27 ar 19 26 27 ar 20 26 24 ar 21 32 3 1 22 27 15 ar 23 24 5 ar 24 3 18 1 25 3 4 1 26 15 22 1 27 15 25 ar 28 11 22 1 29 5 25 ar 30 5 34 1 31 22 10 1 32 21 4 1 33 4 33 1 34 4 6 1 35 36 6 1 36 6 35 1 37 6 19 1 38 9 19 1