@MOLECULE 3-(4-amino-1-isopropyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)phenol 35 37 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.7783 3.0182 1.0525 C.3 1 UNL1111 -0.4719 2 C 2.9575 2.0554 -0.1258 C.3 1 UNL1111 0.1523 3 C 2.8995 2.7946 -1.4662 C.3 1 UNL1111 -0.4712 4 N 1.9095 1.0182 -0.0839 N.ar 1 UNL1111 -0.1686 5 N 0.5860 1.3307 -0.2205 N.ar 1 UNL1111 -0.2089 6 C 2.0734 -0.3419 0.0747 C.ar 1 UNL1111 0.2968 7 N 3.2269 -1.0473 0.2452 N.ar 1 UNL1111 -0.5218 8 C 3.0460 -2.3720 0.3877 C.ar 1 UNL1111 0.3115 9 N 1.8604 -3.0367 0.3857 N.ar 1 UNL1111 -0.5858 10 C 0.7041 -2.3305 0.2147 C.ar 1 UNL1111 0.4939 11 N -0.4607 -3.0340 0.2229 N.pl3 1 UNL1111 -0.5702 12 C 0.7579 -0.9262 0.0359 C.ar 1 UNL1111 -0.3832 13 C -0.1255 0.1851 -0.1575 C.ar 1 UNL1111 0.0835 14 C -1.5773 0.1474 -0.2714 C.ar 1 UNL1111 0.0745 15 C -2.3583 0.8634 0.6362 C.ar 1 UNL1111 -0.2842 16 C -2.1717 -0.6162 -1.2798 C.ar 1 UNL1111 -0.2349 17 C -3.5626 -0.6677 -1.3861 C.ar 1 UNL1111 -0.0726 18 C -4.3668 0.0314 -0.4941 C.ar 1 UNL1111 -0.2476 19 C -3.7456 0.7921 0.5031 C.ar 1 UNL1111 0.2986 20 O -4.5874 1.4589 1.3335 O.3 1 UNL1111 -0.4735 21 H 1.9230 3.2791 -1.6131 H 1 UNL1111 0.1740 22 H 3.6707 3.5693 -1.5217 H 1 UNL1111 0.1537 23 H 3.0478 2.1090 -2.3097 H 1 UNL1111 0.1591 24 H 3.9404 1.5072 -0.0286 H 1 UNL1111 0.1672 25 H 2.8284 2.4919 2.0137 H 1 UNL1111 0.1583 26 H 3.5569 3.7880 1.0507 H 1 UNL1111 0.1542 27 H 1.8032 3.5241 1.0102 H 1 UNL1111 0.1713 28 H 3.9487 -2.9930 0.5259 H 1 UNL1111 0.1975 29 H -0.4516 -4.0253 0.3730 H 1 UNL1111 0.3252 30 H -1.3420 -2.5668 0.1357 H 1 UNL1111 0.3224 31 H -1.8908 1.4665 1.4092 H 1 UNL1111 0.1760 32 H -1.5484 -1.1447 -1.9986 H 1 UNL1111 0.1675 33 H -4.0210 -1.2583 -2.1796 H 1 UNL1111 0.1521 34 H -5.4510 0.0064 -0.5591 H 1 UNL1111 0.1739 35 H -4.1007 1.9857 2.0142 H 1 UNL1111 0.3309 @BOND 1 1 25 1 2 1 26 1 3 1 27 1 4 2 1 1 5 2 4 1 6 2 24 1 7 3 2 1 8 3 21 1 9 3 22 1 10 3 23 1 11 4 5 ar 12 4 6 ar 13 5 13 ar 14 6 7 ar 15 6 12 ar 16 7 8 ar 17 8 9 ar 18 8 28 1 19 9 10 ar 20 10 11 1 21 10 12 ar 22 11 29 1 23 11 30 1 24 12 13 ar 25 13 14 1 26 14 15 ar 27 14 16 ar 28 15 19 ar 29 15 31 1 30 16 17 ar 31 16 32 1 32 17 18 ar 33 17 33 1 34 18 19 ar 35 18 34 1 36 19 20 1 37 20 35 1