@MOLECULE 1-{4-[(5-amino-6-chloro-2-pyridinyl)amino]benzyl}-4-benzyl-2,3-piperazinedione 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.8704 2.3861 -0.8714 Cl 1 UNL1111 -0.0301 2 O 1.7870 1.3674 -1.7334 O.2 1 UNL1111 -0.4476 3 O 3.3264 2.1386 0.4339 O.2 1 UNL1111 -0.4499 4 N 2.0943 -0.8165 -1.2181 N.am 1 UNL1111 -0.4768 5 N 3.8022 -0.0233 0.9075 N.am 1 UNL1111 -0.4783 6 N -3.9055 -1.8595 0.6904 N.pl3 1 UNL1111 -0.4979 7 N -4.9746 0.1439 -0.0025 N.ar 1 UNL1111 -0.4008 8 N -8.2098 1.6671 0.9550 N.pl3 1 UNL1111 -0.5902 9 C 2.4595 -1.7647 -0.1589 C.3 1 UNL1111 -0.0930 10 C 3.8571 -1.3909 0.3773 C.3 1 UNL1111 -0.0965 11 C 1.0171 -1.2430 -2.1270 C.3 1 UNL1111 -0.0743 12 C 4.8762 0.3608 1.8358 C.3 1 UNL1111 -0.0829 13 C 2.2699 0.5407 -0.9961 C.2 1 UNL1111 0.4870 14 C 3.2007 0.9709 0.1497 C.2 1 UNL1111 0.4863 15 C -0.2975 -1.3954 -1.4115 C.ar 1 UNL1111 -0.1051 16 C 6.2111 0.4620 1.1432 C.ar 1 UNL1111 -0.0518 17 C -0.9799 -0.2594 -0.9685 C.ar 1 UNL1111 -0.0927 18 C -0.8383 -2.6594 -1.1852 C.ar 1 UNL1111 -0.1130 19 C 7.1450 -0.5674 1.2577 C.ar 1 UNL1111 -0.1668 20 C 6.5058 1.5920 0.3786 C.ar 1 UNL1111 -0.1402 21 C -2.1837 -0.3776 -0.2876 C.ar 1 UNL1111 -0.1911 22 C -2.0497 -2.7964 -0.5168 C.ar 1 UNL1111 -0.2672 23 C -2.7278 -1.6506 -0.0620 C.ar 1 UNL1111 0.2315 24 C 8.3726 -0.4669 0.6053 C.ar 1 UNL1111 -0.1519 25 C 7.7331 1.6899 -0.2716 C.ar 1 UNL1111 -0.1430 26 C 8.6671 0.6607 -0.1590 C.ar 1 UNL1111 -0.1457 27 C -5.0067 -1.0022 0.7178 C.ar 1 UNL1111 0.3433 28 C -6.1298 -1.3430 1.5163 C.ar 1 UNL1111 -0.2714 29 C -7.2058 -0.4748 1.5647 C.ar 1 UNL1111 -0.1383 30 C -7.1824 0.7299 0.8311 C.ar 1 UNL1111 0.0832 31 C -6.0218 0.9667 0.0686 C.ar 1 UNL1111 0.1195 32 H 2.4749 -2.7959 -0.5749 H 1 UNL1111 0.1511 33 H 1.7065 -1.7554 0.6643 H 1 UNL1111 0.1540 34 H 4.1528 -2.0914 1.1891 H 1 UNL1111 0.1514 35 H 4.6247 -1.4801 -0.4268 H 1 UNL1111 0.1516 36 H 1.3329 -2.1904 -2.6208 H 1 UNL1111 0.1443 37 H 0.9258 -0.4846 -2.9491 H 1 UNL1111 0.1832 38 H 4.9007 -0.3754 2.6717 H 1 UNL1111 0.1478 39 H 4.6036 1.3449 2.3013 H 1 UNL1111 0.1830 40 H -0.5612 0.7351 -1.1569 H 1 UNL1111 0.1798 41 H -0.3187 -3.5487 -1.5371 H 1 UNL1111 0.1426 42 H 6.9223 -1.4469 1.8563 H 1 UNL1111 0.1446 43 H 5.7693 2.3956 0.2876 H 1 UNL1111 0.1796 44 H -2.7012 0.5202 0.0587 H 1 UNL1111 0.1968 45 H -2.4691 -3.7848 -0.3590 H 1 UNL1111 0.1515 46 H 9.1015 -1.2695 0.6937 H 1 UNL1111 0.1473 47 H 7.9624 2.5719 -0.8678 H 1 UNL1111 0.1554 48 H -4.0846 -2.8152 0.9848 H 1 UNL1111 0.3108 49 H 9.6264 0.7384 -0.6669 H 1 UNL1111 0.1497 50 H -6.1381 -2.2657 2.0888 H 1 UNL1111 0.1729 51 H -8.0731 -0.7133 2.1799 H 1 UNL1111 0.1672 52 H -8.2814 2.3764 0.2488 H 1 UNL1111 0.2951 53 H -9.0974 1.3253 1.2689 H 1 UNL1111 0.2861 @BOND 1 1 31 1 2 2 13 2 3 3 14 2 4 4 9 1 5 4 11 1 6 4 13 am 7 5 10 1 8 5 12 1 9 5 14 am 10 6 23 1 11 6 27 1 12 6 48 1 13 7 27 ar 14 7 31 ar 15 8 30 1 16 8 52 1 17 8 53 1 18 9 10 1 19 9 32 1 20 9 33 1 21 10 34 1 22 10 35 1 23 11 15 1 24 11 36 1 25 11 37 1 26 12 16 1 27 12 38 1 28 12 39 1 29 13 14 1 30 15 17 ar 31 15 18 ar 32 16 19 ar 33 16 20 ar 34 17 21 ar 35 17 40 1 36 18 22 ar 37 18 41 1 38 19 24 ar 39 19 42 1 40 20 25 ar 41 20 43 1 42 21 23 ar 43 21 44 1 44 22 23 ar 45 22 45 1 46 24 26 ar 47 24 46 1 48 25 26 ar 49 25 47 1 50 26 49 1 51 27 28 ar 52 28 29 ar 53 28 50 1 54 29 30 ar 55 29 51 1 56 30 31 ar