@MOLECULE n-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.9025 1.2674 -2.5308 C.ar 1 UNL1111111111 -0.1903 2 C 4.0981 2.2967 -1.6115 C.ar 1 UNL1111111111 -0.0492 3 C 4.2478 1.9904 -0.2595 C.ar 1 UNL1111111111 -0.1675 4 C 4.1968 0.6654 0.1794 C.ar 1 UNL1111111111 -0.0181 5 C 3.9797 -0.3519 -0.7441 C.ar 1 UNL1111111111 -0.4011 6 C 3.8479 -0.0572 -2.0990 C.ar 1 UNL1111111111 -0.0338 7 S 3.8924 -2.0363 -0.1960 S.O2 1 UNL1111111111 2.2163 8 O 4.2874 -2.8667 -1.3132 O.2 1 UNL1111111111 -0.9000 9 O 4.5554 -2.1015 1.0872 O.2 1 UNL1111111111 -0.8903 10 C 2.1648 -2.2807 0.0713 C.ar 1 UNL1111111111 -0.3911 11 C 1.6031 -1.9721 1.3080 C.ar 1 UNL1111111111 -0.0694 12 C 0.2378 -2.1572 1.5153 C.ar 1 UNL1111111111 -0.1832 13 C -0.5609 -2.6623 0.4883 C.ar 1 UNL1111111111 0.0030 14 C 0.0062 -2.9808 -0.7461 C.ar 1 UNL1111111111 -0.1776 15 C 1.3719 -2.7953 -0.9516 C.ar 1 UNL1111111111 -0.0744 16 C -2.0331 -2.8652 0.7169 C.3 1 UNL1111111111 -0.0830 17 N -2.7518 -1.6132 0.4361 N.am 1 UNL1111111111 -0.5998 18 C -4.1318 -1.6465 0.4196 C.2 1 UNL1111111111 0.6030 19 O -4.7064 -2.6975 0.6403 O.2 1 UNL1111111111 -0.5322 20 C -4.8669 -0.3932 0.1303 C.ar 1 UNL1111111111 -0.2690 21 C -6.2314 -0.4099 0.3196 C.ar 1 UNL1111111111 0.0417 22 C -6.9500 0.7631 0.0344 C.ar 1 UNL1111111111 -0.2191 23 C -8.2937 1.1825 0.0681 C.ar 1 UNL1111111111 -0.0758 24 N -8.3018 2.4867 -0.3558 N.ar 1 UNL1111111111 -0.1054 25 N -7.0736 2.9660 -0.6678 N.ar 1 UNL1111111111 -0.2553 26 C -6.2073 1.9299 -0.4420 C.ar 1 UNL1111111111 0.2256 27 N -4.8472 1.9259 -0.6286 N.ar 1 UNL1111111111 -0.3313 28 C -4.2232 0.7989 -0.3517 C.ar 1 UNL1111111111 0.0957 29 C 4.4707 3.0659 0.7623 C.3 1 UNL1111111111 0.5435 30 F 4.5033 4.3118 0.2927 F 1 UNL1111111111 -0.2008 31 F 3.5312 3.0994 1.7096 F 1 UNL1111111111 -0.2023 32 F 5.6168 2.9389 1.4321 F 1 UNL1111111111 -0.1948 33 H 3.7970 1.4992 -3.5898 H 1 UNL1111111111 0.1615 34 H 4.1353 3.3280 -1.9687 H 1 UNL1111111111 0.1655 35 H 4.3416 0.4327 1.2449 H 1 UNL1111111111 0.1883 36 H 3.7147 -0.8560 -2.8391 H 1 UNL1111111111 0.1731 37 H 2.2224 -1.5979 2.1320 H 1 UNL1111111111 0.1740 38 H -0.2030 -1.9146 2.4815 H 1 UNL1111111111 0.1622 39 H -0.6156 -3.3781 -1.5475 H 1 UNL1111111111 0.1618 40 H 1.8083 -3.0734 -1.9181 H 1 UNL1111111111 0.1726 41 H -2.4462 -3.6808 0.0703 H 1 UNL1111111111 0.1708 42 H -2.2452 -3.1916 1.7655 H 1 UNL1111111111 0.1616 43 H -2.2107 -0.7814 0.3049 H 1 UNL1111111111 0.3130 44 H -6.7462 -1.3100 0.6767 H 1 UNL1111111111 0.1883 45 H -9.1753 0.6404 0.3551 H 1 UNL1111111111 0.1904 46 H -9.0847 3.1091 -0.4594 H 1 UNL1111111111 0.3331 47 H -3.1377 0.8136 -0.5247 H 1 UNL1111111111 0.1702 @BOND 1 1 33 1 2 2 1 ar 3 2 34 1 4 3 2 ar 5 4 5 ar 6 4 3 ar 7 4 35 1 8 5 6 ar 9 6 1 ar 10 6 36 1 11 7 8 2 12 7 5 1 13 9 7 2 14 10 15 ar 15 10 7 1 16 11 10 ar 17 11 37 1 18 12 13 ar 19 12 11 ar 20 12 38 1 21 13 14 ar 22 14 15 ar 23 14 39 1 24 15 40 1 25 16 13 1 26 16 41 1 27 16 42 1 28 17 16 1 29 17 43 1 30 18 17 am 31 18 19 2 32 20 18 1 33 21 20 ar 34 21 44 1 35 22 21 ar 36 23 22 ar 37 23 45 1 38 24 25 ar 39 24 23 ar 40 24 46 1 41 25 26 ar 42 26 22 ar 43 26 27 ar 44 27 28 ar 45 28 20 ar 46 28 47 1 47 29 30 1 48 29 3 1 49 29 32 1 50 31 29 1