@MOLECULE (1r,1'r)-1,1'-{[(2r,6s)-2,6-dimethyl-1,4-piperazinediyl]di-4,2-pyrimidinediyl}diethanol 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.7407 -2.5854 1.2053 O.3 1 UNL11111111111 -0.5393 2 O 6.3302 -1.9512 0.9555 O.3 1 UNL11111111111 -0.5400 3 N -1.4671 0.7804 -0.2634 N.pl3 1 UNL11111111111 -0.4364 4 N 1.3554 0.7740 -0.4445 N.pl3 1 UNL11111111111 -0.3916 5 N -3.4356 -0.4458 0.0109 N.ar 1 UNL11111111111 -0.5779 6 N 3.3123 -0.4602 -0.2160 N.ar 1 UNL11111111111 -0.5696 7 N -5.6080 0.5495 -0.1592 N.ar 1 UNL11111111111 -0.4981 8 N 5.4184 0.5663 0.2861 N.ar 1 UNL11111111111 -0.5230 9 C -0.7467 2.0590 -0.1178 C.3 1 UNL11111111111 0.0993 10 C -0.7352 -0.4778 0.0102 C.3 1 UNL11111111111 0.1028 11 C 0.6294 1.9778 -0.8445 C.3 1 UNL11111111111 -0.0998 12 C 0.6237 -0.4626 -0.7400 C.3 1 UNL11111111111 -0.0995 13 C -0.5750 2.4872 1.3425 C.3 1 UNL11111111111 -0.4830 14 C -0.5420 -0.7511 1.5040 C.3 1 UNL11111111111 -0.4739 15 C -2.8411 0.7801 -0.1507 C.ar 1 UNL11111111111 0.4434 16 C 2.7050 0.7737 -0.2316 C.ar 1 UNL11111111111 0.4448 17 C -3.6494 1.9404 -0.2884 C.ar 1 UNL11111111111 -0.4544 18 C 3.4671 1.9456 0.0232 C.ar 1 UNL11111111111 -0.4640 19 C -4.7812 -0.5098 0.0003 C.ar 1 UNL11111111111 0.3383 20 C -5.0302 1.7620 -0.2990 C.ar 1 UNL11111111111 0.1667 21 C 4.6298 -0.5113 0.0420 C.ar 1 UNL11111111111 0.3438 22 C 4.8247 1.7779 0.2821 C.ar 1 UNL11111111111 0.1759 23 C -5.4094 -1.8901 0.1849 C.3 1 UNL11111111111 0.1879 24 C 5.2918 -1.8870 0.0174 C.3 1 UNL11111111111 0.1882 25 C -5.3338 -2.6591 -1.1314 C.3 1 UNL11111111111 -0.4918 26 C 5.8199 -2.1536 -1.3909 C.3 1 UNL11111111111 -0.4917 27 H -1.3394 2.8510 -0.6607 H 1 UNL11111111111 0.1457 28 H -1.3436 -1.3222 -0.4336 H 1 UNL11111111111 0.1711 29 H 0.4616 1.9634 -1.9494 H 1 UNL11111111111 0.1511 30 H 1.2073 2.9000 -0.6163 H 1 UNL11111111111 0.1570 31 H 1.2166 -1.3594 -0.4295 H 1 UNL11111111111 0.1929 32 H 0.4577 -0.5532 -1.8379 H 1 UNL11111111111 0.1451 33 H 0.1854 1.8843 1.8578 H 1 UNL11111111111 0.1714 34 H -0.2660 3.5355 1.4183 H 1 UNL11111111111 0.1561 35 H -1.5101 2.3767 1.9062 H 1 UNL11111111111 0.1629 36 H -1.4855 -0.6370 2.0529 H 1 UNL11111111111 0.1621 37 H -0.1890 -1.7765 1.6711 H 1 UNL11111111111 0.1617 38 H 0.1967 -0.0792 1.9563 H 1 UNL11111111111 0.1610 39 H -3.2234 2.9282 -0.3871 H 1 UNL11111111111 0.1815 40 H 3.0201 2.9280 0.0340 H 1 UNL11111111111 0.1801 41 H -5.7224 2.6064 -0.4171 H 1 UNL11111111111 0.1748 42 H 5.4843 2.6305 0.4929 H 1 UNL11111111111 0.1741 43 H -6.4534 -1.8067 0.5760 H 1 UNL11111111111 0.1718 44 H 4.5852 -2.6793 0.3675 H 1 UNL11111111111 0.1670 45 H -4.3006 -2.7447 -1.4907 H 1 UNL11111111111 0.1614 46 H -5.9238 -2.1714 -1.9159 H 1 UNL11111111111 0.1609 47 H -5.7200 -3.6784 -0.9992 H 1 UNL11111111111 0.1672 48 H 6.5275 -1.3785 -1.7109 H 1 UNL11111111111 0.1618 49 H 5.0063 -2.1922 -2.1241 H 1 UNL11111111111 0.1601 50 H 6.3531 -3.1129 -1.4215 H 1 UNL11111111111 0.1676 51 H -3.7660 -2.5309 1.0829 H 1 UNL11111111111 0.3346 52 H 6.9037 -1.1498 0.9037 H 1 UNL11111111111 0.3416 @BOND 1 1 23 1 2 1 51 1 3 2 24 1 4 2 52 1 5 3 9 1 6 3 10 1 7 3 15 1 8 4 11 1 9 4 12 1 10 4 16 1 11 5 15 ar 12 5 19 ar 13 6 16 ar 14 6 21 ar 15 7 19 ar 16 7 20 ar 17 8 21 ar 18 8 22 ar 19 9 11 1 20 9 13 1 21 9 27 1 22 10 12 1 23 10 14 1 24 10 28 1 25 11 29 1 26 11 30 1 27 12 31 1 28 12 32 1 29 13 33 1 30 13 34 1 31 13 35 1 32 14 36 1 33 14 37 1 34 14 38 1 35 15 17 ar 36 16 18 ar 37 17 20 ar 38 17 39 1 39 18 22 ar 40 18 40 1 41 19 23 1 42 20 41 1 43 21 24 1 44 22 42 1 45 23 25 1 46 23 43 1 47 24 26 1 48 24 44 1 49 25 45 1 50 25 46 1 51 25 47 1 52 26 48 1 53 26 49 1 54 26 50 1