@MOLECULE (2r,3r,4s,5r)-2-[(3r)-4-amino-3-iodo-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol 34 36 0 0 0 SMALL GASTEIGER @ATOM 1 I 2.8532 1.0974 -0.4942 I 1 UNL11111 -0.1540 2 N 1.1646 -3.4560 0.3401 N.ar 1 UNL11111 -0.5417 3 C -0.1190 -3.3778 -0.0212 C.ar 1 UNL11111 0.3175 4 N -0.8856 -2.2460 -0.0372 N.ar 1 UNL11111 -0.5370 5 C -0.2653 -1.1207 0.3520 C.ar 1 UNL11111 0.4473 6 C 1.1103 -1.0863 0.7427 C.ar 1 UNL11111 -0.4529 7 C 1.8138 -2.2975 0.7279 C.ar 1 UNL11111 0.4804 8 N 3.1168 -2.4431 1.0940 N.pl3 1 UNL11111 -0.5589 9 C 1.4582 0.3130 1.0549 C.3 1 UNL11111 0.0906 10 N 0.1571 1.0106 1.0605 N.3 1 UNL11111 -0.3821 11 N -0.7927 0.1929 0.3221 N.pl3 1 UNL11111 -0.3201 12 C1* -2.1544 0.4945 0.8615 C.3 1 UNL11111 0.2139 13 C2* -2.7309 1.7123 0.0713 C.3 1 UNL11111 0.0510 14 C3* -4.1257 1.2046 -0.3871 C.3 1 UNL11111 0.0476 15 C4* -3.9558 -0.3212 -0.3862 C.3 1 UNL11111 -0.0050 16 O4* -2.9967 -0.6039 0.6397 O.3 1 UNL11111 -0.3687 17 O2* -2.7779 2.8287 0.9041 O.3 1 UNL11111 -0.5276 18 O3* -5.0990 1.6192 0.5400 O.3 1 UNL11111 -0.5395 19 C5* -3.4657 -0.8671 -1.7337 C.3 1 UNL11111 -0.0259 20 O5* -3.3966 -2.2674 -1.6525 O.3 1 UNL11111 -0.5462 21 H -0.6192 -4.3124 -0.3374 H 1 UNL11111 0.2065 22 H 3.5602 -3.3417 1.0093 H 1 UNL11111 0.3280 23 H 3.6949 -1.6544 1.2878 H 1 UNL11111 0.3147 24 H 1.9740 0.5034 2.0217 H 1 UNL11111 0.1810 25 H 0.1396 1.9504 0.6458 H 1 UNL11111 0.3049 26 H1* -2.1316 0.6502 1.9687 H 1 UNL11111 0.1718 27 H2* -2.0839 2.0177 -0.7787 H 1 UNL11111 0.1672 28 H3* -4.4728 1.6463 -1.3401 H 1 UNL11111 0.1667 29 H4* -4.8549 -0.8774 -0.0381 H 1 UNL11111 0.1738 30 H2* -3.6927 2.9678 1.2535 H 1 UNL11111 0.3398 31 H3* -5.0776 1.0590 1.3492 H 1 UNL11111 0.3276 32 H5*1 -4.1929 -0.6774 -2.5439 H 1 UNL11111 0.1416 33 H5*2 -2.4750 -0.4588 -2.0069 H 1 UNL11111 0.1325 34 H5* -2.6657 -2.5017 -1.0199 H 1 UNL11111 0.3550 @BOND 1 1 9 1 2 2 3 ar 3 2 7 ar 4 3 4 ar 5 3 21 1 6 4 5 ar 7 5 6 ar 8 5 11 1 9 6 7 ar 10 6 9 1 11 7 8 1 12 8 22 1 13 8 23 1 14 9 10 1 15 9 24 1 16 10 11 1 17 10 25 1 18 11 12 1 19 12 13 1 20 12 16 1 21 12 26 1 22 13 14 1 23 13 17 1 24 13 27 1 25 14 15 1 26 14 18 1 27 14 28 1 28 15 16 1 29 15 19 1 30 15 29 1 31 17 30 1 32 18 31 1 33 19 20 1 34 19 32 1 35 19 33 1 36 20 34 1