@MOLECULE 4-(4-amino-1-piperidinyl)-2-{[(2-amino-5-pyrimidinyl)methyl]amino}-5-nitrobenzamide 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 N 1.8259 -0.2612 0.1327 N.pl3 1 UNL1111 -0.4821 2 N 1.0412 -4.3489 0.5862 N.am 1 UNL1111 -0.6702 3 N 5.6853 1.2030 -1.3346 N.ar 1 UNL1111 -0.5114 4 N 5.8477 1.4247 1.0913 N.ar 1 UNL1111 -0.5147 5 N -2.9347 0.7373 0.0509 N.pl3 1 UNL1111 -0.4385 6 N -6.1496 3.4840 0.3362 N.3 1 UNL1111 -0.6613 7 N 7.7617 1.3840 -0.2624 N.pl3 1 UNL1111 -0.5582 8 N -3.4575 -2.1195 -0.1820 N.pl3 1 UNL1111 0.6783 9 C -1.0746 -2.4810 -0.0637 C.ar 1 UNL1111 0.0670 10 C 0.2433 -2.0817 0.0718 C.ar 1 UNL1111 -0.3563 11 C 0.5398 -0.6758 0.0961 C.ar 1 UNL1111 0.3927 12 C -0.5367 0.2467 0.0785 C.ar 1 UNL1111 -0.4664 13 C -1.8588 -0.1706 -0.0366 C.ar 1 UNL1111 0.3600 14 C -2.1296 -1.5649 -0.1311 C.ar 1 UNL1111 -0.2738 15 C 1.3373 -3.0626 0.1856 C.2 1 UNL1111 0.6407 16 C 2.2176 1.1578 0.1254 C.3 1 UNL1111 -0.0362 17 C 3.7025 1.2405 0.0239 C.ar 1 UNL1111 -0.3430 18 C 4.3540 1.1550 -1.2202 C.ar 1 UNL1111 0.1811 19 C 6.4050 1.3347 -0.1660 C.ar 1 UNL1111 0.5264 20 C 4.5128 1.3708 1.1647 C.ar 1 UNL1111 0.1791 21 C -2.7039 1.9431 0.8798 C.3 1 UNL1111 -0.0949 22 C -4.0785 2.5328 1.2386 C.3 1 UNL1111 -0.2959 23 C -3.5854 1.0768 -1.2374 C.3 1 UNL1111 -0.0666 24 C -4.9775 1.6526 -0.9412 C.3 1 UNL1111 -0.3424 25 C -4.8464 2.9066 -0.0459 C.3 1 UNL1111 0.0712 26 O 2.5124 -2.7935 -0.0404 O.2 1 UNL1111 -0.5986 27 O -3.6245 -3.2045 0.3660 O.2 1 UNL1111 -0.4483 28 O -4.3501 -1.5413 -0.7755 O.2 1 UNL1111 -0.4109 29 H 2.5898 -0.9514 0.0848 H 1 UNL1111 0.3649 30 H 0.1242 -4.6399 0.8426 H 1 UNL1111 0.3086 31 H 1.7808 -5.0174 0.6789 H 1 UNL1111 0.3161 32 H -6.6816 3.7830 -0.4637 H 1 UNL1111 0.2504 33 H -6.7074 2.8452 0.8792 H 1 UNL1111 0.2532 34 H 8.2075 1.3026 -1.1556 H 1 UNL1111 0.3273 35 H 8.3243 1.4628 0.5620 H 1 UNL1111 0.3266 36 H -1.3246 -3.5510 -0.1244 H 1 UNL1111 0.1746 37 H -0.3208 1.3081 0.1315 H 1 UNL1111 0.1747 38 H 1.7294 1.6838 -0.7333 H 1 UNL1111 0.1524 39 H 1.8449 1.6529 1.0563 H 1 UNL1111 0.1520 40 H 3.7954 1.0393 -2.1612 H 1 UNL1111 0.1828 41 H 4.0873 1.4331 2.1770 H 1 UNL1111 0.1798 42 H -2.1705 1.6444 1.8098 H 1 UNL1111 0.1460 43 H -2.0798 2.7042 0.3649 H 1 UNL1111 0.1181 44 H -4.6595 1.7971 1.8289 H 1 UNL1111 0.1612 45 H -3.9608 3.4229 1.8829 H 1 UNL1111 0.1531 46 H -2.9735 1.8075 -1.8117 H 1 UNL1111 0.1154 47 H -3.6743 0.1636 -1.8693 H 1 UNL1111 0.1690 48 H -5.4960 1.8916 -1.8842 H 1 UNL1111 0.1412 49 H -5.5896 0.8785 -0.4337 H 1 UNL1111 0.1729 50 H -4.2839 3.7029 -0.5983 H 1 UNL1111 0.1327 @BOND 1 1 11 1 2 1 16 1 3 1 29 1 4 2 15 am 5 2 30 1 6 2 31 1 7 3 18 ar 8 3 19 ar 9 4 19 ar 10 4 20 ar 11 5 13 1 12 5 21 1 13 5 23 1 14 6 25 1 15 6 32 1 16 6 33 1 17 7 19 1 18 7 34 1 19 7 35 1 20 8 14 1 21 8 27 2 22 8 28 2 23 9 10 ar 24 9 14 ar 25 9 36 1 26 10 11 ar 27 10 15 1 28 11 12 ar 29 12 13 ar 30 12 37 1 31 13 14 ar 32 15 26 2 33 16 17 1 34 16 38 1 35 16 39 1 36 17 18 ar 37 17 20 ar 38 18 40 1 39 20 41 1 40 21 22 1 41 21 42 1 42 21 43 1 43 22 25 1 44 22 44 1 45 22 45 1 46 23 24 1 47 23 46 1 48 23 47 1 49 24 25 1 50 24 48 1 51 24 49 1 52 25 50 1