@MOLECULE [3-(4-{[1-(dimethylamino)-2-propanyl]oxy}phenyl)-1h-pyrazolo[3,4-b]pyridin-1-yl]acetic acid 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1230 -1.3443 -0.6387 O.3 1 UNL1111111111 -0.3782 2 O 5.3700 3.3006 -0.5524 O.3 1 UNL1111111111 -0.5689 3 O 3.9587 2.3967 0.9267 O.2 1 UNL1111111111 -0.4575 4 N -4.9216 1.6824 0.8266 N.3 1 UNL1111111111 -0.3951 5 N 3.3734 0.3105 -0.9463 N.ar 1 UNL1111111111 -0.1737 6 N 2.0266 0.4740 -1.1457 N.ar 1 UNL1111111111 -0.2135 7 N 4.8002 -1.1562 0.4345 N.ar 1 UNL1111111111 -0.4010 8 C -5.1044 -0.2990 -0.5973 C.3 1 UNL1111111111 0.1352 9 C -5.2038 0.2279 0.8536 C.3 1 UNL1111111111 -0.1826 10 C 1.3775 -0.4981 -0.4780 C.ar 1 UNL1111111111 0.1094 11 C 2.3273 -1.3020 0.2646 C.ar 1 UNL1111111111 -0.2086 12 C -0.0613 -0.6724 -0.5293 C.ar 1 UNL1111111111 -0.0994 13 C 3.6070 -0.7202 -0.0370 C.ar 1 UNL1111111111 0.2491 14 C -6.3695 -1.0233 -1.0466 C.3 1 UNL1111111111 -0.4757 15 C -2.8091 -1.0187 -0.6024 C.ar 1 UNL1111111111 0.2803 16 C -0.6007 -1.9657 -0.5859 C.ar 1 UNL1111111111 -0.0707 17 C -0.9075 0.4406 -0.5220 C.ar 1 UNL1111111111 -0.0328 18 C -1.9729 -2.1498 -0.6214 C.ar 1 UNL1111111111 -0.2572 19 C -2.2877 0.2746 -0.5556 C.ar 1 UNL1111111111 -0.3066 20 C 4.2839 1.3785 -1.2955 C.3 1 UNL1111111111 -0.1206 21 C 2.3038 -2.3863 1.1400 C.ar 1 UNL1111111111 -0.0085 22 C -4.2391 2.1211 2.0614 C.3 1 UNL1111111111 -0.2806 23 C -6.1593 2.4592 0.6063 C.3 1 UNL1111111111 -0.2808 24 C 3.5148 -2.8329 1.6436 C.ar 1 UNL1111111111 -0.2927 25 C 4.7278 -2.2009 1.2661 C.ar 1 UNL1111111111 0.1024 26 C 4.4661 2.3642 -0.1567 C.2 1 UNL1111111111 0.6111 27 H -4.8170 0.5062 -1.3105 H 1 UNL1111111111 0.1495 28 H -4.4469 -0.3016 1.4762 H 1 UNL1111111111 0.1610 29 H -6.1853 -0.0199 1.3031 H 1 UNL1111111111 0.1310 30 H -7.2295 -0.3463 -1.0580 H 1 UNL1111111111 0.1533 31 H -6.6042 -1.8698 -0.3884 H 1 UNL1111111111 0.1617 32 H -6.2467 -1.4343 -2.0581 H 1 UNL1111111111 0.1647 33 H 0.0644 -2.8286 -0.6152 H 1 UNL1111111111 0.1518 34 H -0.4792 1.4451 -0.4891 H 1 UNL1111111111 0.1660 35 H -2.4127 -3.1415 -0.6689 H 1 UNL1111111111 0.1695 36 H -2.9408 1.1477 -0.5346 H 1 UNL1111111111 0.1933 37 H 3.9078 1.9187 -2.2062 H 1 UNL1111111111 0.2082 38 H 5.2806 0.9311 -1.5636 H 1 UNL1111111111 0.2040 39 H 1.3598 -2.8556 1.4185 H 1 UNL1111111111 0.1666 40 H -4.8075 1.9465 2.9857 H 1 UNL1111111111 0.1190 41 H -4.0177 3.1990 1.9869 H 1 UNL1111111111 0.1481 42 H -3.2690 1.5981 2.1385 H 1 UNL1111111111 0.1551 43 H -6.8936 2.3899 1.4220 H 1 UNL1111111111 0.1192 44 H -6.6400 2.1204 -0.3258 H 1 UNL1111111111 0.1428 45 H -5.8922 3.5205 0.4682 H 1 UNL1111111111 0.1475 46 H 3.5518 -3.6698 2.3352 H 1 UNL1111111111 0.1716 47 H 5.6889 -2.5570 1.6600 H 1 UNL1111111111 0.1734 48 H 5.5658 3.9792 0.1395 H 1 UNL1111111111 0.3601 @BOND 1 1 8 1 2 1 15 1 3 2 26 1 4 2 48 1 5 3 26 2 6 4 9 1 7 4 22 1 8 4 23 1 9 5 6 ar 10 5 13 ar 11 5 20 1 12 6 10 ar 13 7 13 ar 14 7 25 ar 15 8 9 1 16 8 14 1 17 8 27 1 18 9 28 1 19 9 29 1 20 10 11 ar 21 10 12 1 22 11 13 ar 23 11 21 ar 24 12 16 ar 25 12 17 ar 26 14 30 1 27 14 31 1 28 14 32 1 29 15 18 ar 30 15 19 ar 31 16 18 ar 32 16 33 1 33 17 19 ar 34 17 34 1 35 18 35 1 36 19 36 1 37 20 26 1 38 20 37 1 39 20 38 1 40 21 24 ar 41 21 39 1 42 22 40 1 43 22 41 1 44 22 42 1 45 23 43 1 46 23 44 1 47 23 45 1 48 24 25 ar 49 24 46 1 50 25 47 1