@MOLECULE 1-[4-(5-phenyl-1h-pyrazolo[3,4-b]pyridin-4-yl)-2-morpholinyl]methanamine 43 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.5697 -2.1999 0.6258 O.3 1 UNL1 -0.5460 2 N 0.3028 -0.5793 0.4620 N.pl3 1 UNL1 -0.3644 3 N 4.4204 -2.5511 -1.0969 N.4 1 UNL1 -0.2116 4 N -3.5646 1.1154 -0.4381 N.ar 1 UNL1 -0.5377 5 N -4.3611 -1.1971 -0.3574 N.ar 1 UNL1 -0.2678 6 N -3.8360 -2.4346 -0.1081 N.ar 1 UNL1 -0.2909 7 C 2.3610 -1.3284 -0.4765 C.3 1 UNL1 0.1262 8 C 0.8671 -1.1610 -0.7822 C.3 1 UNL1 -0.1644 9 C 0.3935 -1.5717 1.5529 C.3 1 UNL1 -0.1440 10 C 1.8912 -1.7866 1.8182 C.3 1 UNL1 0.0122 11 C -1.0118 -0.0795 0.2337 C.ar 1 UNL1 -0.0492 12 C 3.0801 -2.0643 -1.6335 C.3 1 UNL1 -0.2223 13 C -2.1617 -0.8924 0.0876 C.ar 1 UNL1 -0.2274 14 C -1.1671 1.3230 0.0018 C.ar 1 UNL1 -0.2140 15 C -3.3865 -0.2157 -0.2434 C.ar 1 UNL1 0.2895 16 C -0.0116 2.2092 0.0689 C.ar 1 UNL1 0.1064 17 C -2.4207 1.8425 -0.3099 C.ar 1 UNL1 0.0784 18 C -2.5113 -2.2657 0.1533 C.ar 1 UNL1 -0.1183 19 C 0.8319 2.2095 1.1908 C.ar 1 UNL1 -0.1527 20 C 0.2803 3.0684 -0.9986 C.ar 1 UNL1 -0.2014 21 C 1.9492 3.0343 1.2326 C.ar 1 UNL1 -0.1656 22 C 1.3984 3.8967 -0.9506 C.ar 1 UNL1 -0.1486 23 C 2.2383 3.8798 0.1604 C.ar 1 UNL1 -0.2078 24 H 2.8298 -0.3459 -0.2375 H 1 UNL1 0.1518 25 H 0.6975 -0.4352 -1.6095 H 1 UNL1 0.1708 26 H 0.3892 -2.1173 -1.0738 H 1 UNL1 0.1371 27 H -0.1115 -2.5335 1.3295 H 1 UNL1 0.1352 28 H -0.1105 -1.1447 2.4509 H 1 UNL1 0.1756 29 H 2.3784 -0.8640 2.1798 H 1 UNL1 0.1308 30 H 2.0889 -2.6311 2.4975 H 1 UNL1 0.1249 31 H 3.2224 -1.3974 -2.5083 H 1 UNL1 0.1816 32 H 2.4804 -2.9450 -1.9617 H 1 UNL1 0.1924 33 H 5.0352 -1.7507 -0.8874 H 1 UNL1 0.2883 34 H 4.8911 -3.1790 -1.7557 H 1 UNL1 0.2770 35 H 4.2456 -3.0564 -0.1980 H 1 UNL1 0.3222 36 H -2.5601 2.9172 -0.4652 H 1 UNL1 0.1534 37 H -1.8874 -3.1053 0.3681 H 1 UNL1 0.1479 38 H -5.3343 -1.1007 -0.5329 H 1 UNL1 0.3285 39 H 0.5970 1.5458 2.0210 H 1 UNL1 0.1620 40 H -0.3727 3.0785 -1.8682 H 1 UNL1 0.1560 41 H 2.5941 3.0299 2.1054 H 1 UNL1 0.1280 42 H 1.6140 4.5621 -1.7814 H 1 UNL1 0.1308 43 H 3.1056 4.5279 0.1987 H 1 UNL1 0.1274 @BOND 1 31 12 1 2 32 12 1 3 40 20 1 4 42 22 1 5 34 3 1 6 12 3 1 7 12 7 1 8 25 8 1 9 3 33 1 10 3 35 1 11 26 8 1 12 20 22 ar 13 20 16 ar 14 22 23 ar 15 8 7 1 16 8 2 1 17 38 5 1 18 7 24 1 19 7 1 1 20 36 17 1 21 4 17 ar 22 4 15 ar 23 5 15 ar 24 5 6 ar 25 17 14 ar 26 15 13 ar 27 6 18 ar 28 14 16 1 29 14 11 ar 30 16 19 ar 31 13 18 ar 32 13 11 ar 33 18 37 1 34 23 43 1 35 23 21 ar 36 11 2 1 37 2 9 1 38 1 10 1 39 19 21 ar 40 19 39 1 41 21 41 1 42 27 9 1 43 9 10 1 44 9 28 1 45 10 29 1 46 10 30 1