@MOLECULE 1-(4-{4-(4-morpholinyl)-6-[(1r,5s)-3-oxa-8-azabicyclo[3.2.1]oct-8-yl]-1,3,5-triazin-2-yl}phenyl)-3-(4-pyridinyl)urea 64 69 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.0881 4.0083 1.4965 O.3 1 UNL11 -0.3800 2 O -6.0036 -4.5376 0.2207 O.3 1 UNL11 -0.3802 3 O 5.0345 0.7202 0.1138 O.2 1 UNL11 -0.4943 4 N -3.7331 2.1988 -0.6671 N.pl3 1 UNL11 -0.3926 5 N -4.0777 -0.0284 -0.0115 N.ar 1 UNL11 -0.6751 6 N -1.8423 0.8221 -0.3960 N.ar 1 UNL11 -0.6325 7 N -4.3266 -2.3164 0.4387 N.pl3 1 UNL11 -0.3773 8 N -2.1547 -1.5071 0.0487 N.ar 1 UNL11 -0.6437 9 N 4.2244 -1.3539 -0.4885 N.am 1 UNL11 -0.5857 10 N 6.5281 -0.9814 -0.3252 N.am 1 UNL11 -0.5931 11 N 10.1625 0.9258 0.5909 N.ar 1 UNL11 -0.4087 12 C -5.0925 2.6146 -0.2386 C.3 1 UNL11 0.0478 13 C -2.9305 3.4459 -0.5786 C.3 1 UNL11 0.0517 14 C -5.2927 3.9089 -1.0689 C.3 1 UNL11 -0.2728 15 C -3.8602 4.4595 -1.2939 C.3 1 UNL11 -0.2744 16 C -2.8070 3.8045 0.9220 C.3 1 UNL11 -0.0897 17 C -5.0136 2.9577 1.2689 C.3 1 UNL11 -0.0890 18 C -3.2075 0.9798 -0.3219 C.ar 1 UNL11 0.5694 19 C -3.5114 -1.2715 0.1523 C.ar 1 UNL11 0.5722 20 C -1.3682 -0.4369 -0.2169 C.ar 1 UNL11 0.4713 21 C -3.8053 -3.6546 0.7377 C.3 1 UNL11 -0.1034 22 C -5.7731 -2.1517 0.6190 C.3 1 UNL11 -0.1024 23 C 0.0861 -0.6509 -0.2968 C.ar 1 UNL11 -0.1121 24 C -6.4974 -3.2668 -0.1599 C.3 1 UNL11 -0.0625 25 C -4.6238 -4.6879 -0.0589 C.3 1 UNL11 -0.0618 26 C 0.5970 -1.9501 -0.4032 C.ar 1 UNL11 -0.0235 27 C 0.9616 0.4394 -0.2608 C.ar 1 UNL11 -0.0197 28 C 1.9668 -2.1602 -0.4634 C.ar 1 UNL11 -0.2932 29 C 2.3371 0.2437 -0.3177 C.ar 1 UNL11 -0.2528 30 C 2.8425 -1.0576 -0.4128 C.ar 1 UNL11 0.2696 31 C 5.2362 -0.4282 -0.2019 C.2 1 UNL11 0.7268 32 C 7.7121 -0.2900 -0.0121 C.ar 1 UNL11 0.3033 33 C 8.9248 -0.9779 -0.2198 C.ar 1 UNL11 -0.3622 34 C 7.7497 1.0132 0.4991 C.ar 1 UNL11 -0.3165 35 C 10.1184 -0.3269 0.0980 C.ar 1 UNL11 0.1028 36 C 8.9979 1.5750 0.7833 C.ar 1 UNL11 0.0986 37 H -5.8408 1.8226 -0.4508 H 1 UNL11 0.1666 38 H -1.9396 3.3199 -1.0652 H 1 UNL11 0.1730 39 H -3.6223 4.5188 -2.3672 H 1 UNL11 0.1454 40 H -3.7472 5.4703 -0.8755 H 1 UNL11 0.1481 41 H -5.9233 4.6333 -0.5331 H 1 UNL11 0.1475 42 H -5.7869 3.6867 -2.0271 H 1 UNL11 0.1442 43 H -5.9570 3.3792 1.6542 H 1 UNL11 0.1467 44 H -4.7268 2.0760 1.8688 H 1 UNL11 0.1393 45 H -2.2719 3.0172 1.4824 H 1 UNL11 0.1410 46 H -2.3128 4.7772 1.0827 H 1 UNL11 0.1475 47 H -2.7212 -3.7304 0.4815 H 1 UNL11 0.1846 48 H -6.1092 -1.1483 0.2620 H 1 UNL11 0.1835 49 H -3.8964 -3.8434 1.8325 H 1 UNL11 0.1506 50 H -6.0143 -2.2118 1.7052 H 1 UNL11 0.1506 51 H -7.5664 -3.3258 0.1123 H 1 UNL11 0.1441 52 H -4.4490 -4.6026 -1.1457 H 1 UNL11 0.1336 53 H -4.4144 -5.7202 0.2731 H 1 UNL11 0.1439 54 H -6.3964 -3.1374 -1.2518 H 1 UNL11 0.1334 55 H -0.0912 -2.8009 -0.4344 H 1 UNL11 0.1757 56 H 0.5581 1.4559 -0.1898 H 1 UNL11 0.1821 57 H 2.3514 -3.1721 -0.5417 H 1 UNL11 0.1554 58 H 3.0013 1.1097 -0.2869 H 1 UNL11 0.1991 59 H 4.4639 -2.3189 -0.6868 H 1 UNL11 0.3126 60 H 6.6412 -1.9230 -0.6862 H 1 UNL11 0.3155 61 H 8.9445 -1.9863 -0.6145 H 1 UNL11 0.1678 62 H 6.8423 1.5914 0.6780 H 1 UNL11 0.2120 63 H 11.0904 -0.8158 -0.0420 H 1 UNL11 0.1687 64 H 9.0839 2.5928 1.1855 H 1 UNL11 0.1730 @BOND 1 1 16 1 2 1 17 1 3 2 24 1 4 2 25 1 5 3 31 2 6 4 12 1 7 4 13 1 8 4 18 1 9 5 18 ar 10 5 19 ar 11 6 18 ar 12 6 20 ar 13 7 19 1 14 7 21 1 15 7 22 1 16 8 19 ar 17 8 20 ar 18 9 30 1 19 9 31 am 20 9 59 1 21 10 31 am 22 10 32 1 23 10 60 1 24 11 35 ar 25 11 36 ar 26 12 14 1 27 12 17 1 28 12 37 1 29 13 15 1 30 13 16 1 31 13 38 1 32 14 15 1 33 14 41 1 34 14 42 1 35 15 39 1 36 15 40 1 37 16 45 1 38 16 46 1 39 17 43 1 40 17 44 1 41 20 23 1 42 21 25 1 43 21 47 1 44 21 49 1 45 22 24 1 46 22 48 1 47 22 50 1 48 23 26 ar 49 23 27 ar 50 24 51 1 51 24 54 1 52 25 52 1 53 25 53 1 54 26 28 ar 55 26 55 1 56 27 29 ar 57 27 56 1 58 28 30 ar 59 28 57 1 60 29 30 ar 61 29 58 1 62 32 33 ar 63 32 34 ar 64 33 35 ar 65 33 61 1 66 34 36 ar 67 34 62 1 68 35 63 1 69 36 64 1