@MOLECULE (1r)-9-[(1,3-dimethyl-3-azetidinyl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one 57 61 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.9941 1.2640 -1.2176 C.3 1 UNL111111111 -0.2940 2 N 3.8570 2.1831 -1.3378 N.3 1 UNL111111111 -0.3805 3 C 3.4001 2.7715 -0.0287 C.3 1 UNL111111111 -0.1652 4 C 1.9538 2.1844 -0.2470 C.3 1 UNL111111111 0.1868 5 C 0.8980 3.2332 -0.5625 C.3 1 UNL111111111 -0.4947 6 C 2.5320 1.4956 -1.5371 C.3 1 UNL111111111 -0.1663 7 N 1.6226 1.2313 0.8218 N.pl3 1 UNL111111111 -0.4522 8 C 1.2789 1.8821 2.1035 C.3 1 UNL111111111 -0.2545 9 C 0.6559 0.2317 0.4497 C.ar 1 UNL111111111 0.1786 10 C -0.7138 0.5232 0.3728 C.ar 1 UNL111111111 -0.2789 11 C -1.6290 -0.4736 0.0347 C.ar 1 UNL111111111 0.1382 12 N -3.0037 -0.2356 -0.1458 N.pl3 1 UNL111111111 -0.4179 13 C -3.5888 1.0557 0.2504 C.3 1 UNL111111111 0.0316 14 C -3.6358 1.2543 1.7678 C.3 1 UNL111111111 -0.4856 15 C -5.0328 1.1741 -0.2662 C.2 1 UNL111111111 0.5180 16 O -5.5859 2.2409 -0.4019 O.2 1 UNL111111111 -0.4825 17 N -5.7213 -0.0030 -0.5170 N.am 1 UNL111111111 -0.4071 18 N -5.1555 -1.2423 -0.4317 N.2 1 UNL111111111 -0.2521 19 C -3.8709 -1.3388 -0.2124 C.2 1 UNL111111111 0.2272 20 C -3.2769 -2.7203 -0.0868 C.3 1 UNL111111111 -0.0551 21 O -1.9646 -2.7911 -0.6187 O.3 1 UNL111111111 -0.2836 22 C -1.1416 -1.7753 -0.2110 C.ar 1 UNL111111111 0.1076 23 C 0.2100 -2.0745 -0.1329 C.ar 1 UNL111111111 -0.1586 24 C 1.1246 -1.0696 0.1976 C.ar 1 UNL111111111 -0.0530 25 C 2.5482 -1.4212 0.2745 C.ar 1 UNL111111111 0.0122 26 C 3.1752 -2.0203 -0.8229 C.ar 1 UNL111111111 -0.1612 27 C 4.5269 -2.3474 -0.7580 C.ar 1 UNL111111111 -0.1511 28 C 5.2562 -2.0835 0.4003 C.ar 1 UNL111111111 -0.1554 29 C 4.6309 -1.4945 1.4979 C.ar 1 UNL111111111 -0.1591 30 C 3.2793 -1.1654 1.4380 C.ar 1 UNL111111111 -0.1185 31 H 4.8587 0.4527 -0.4823 H 1 UNL111111111 0.1372 32 H 5.1822 0.8075 -2.2040 H 1 UNL111111111 0.1484 33 H 5.8905 1.8410 -0.9385 H 1 UNL111111111 0.1450 34 H 3.9089 2.3942 0.8658 H 1 UNL111111111 0.1411 35 H 3.4682 3.8659 -0.0595 H 1 UNL111111111 0.1477 36 H 0.6256 3.8258 0.3160 H 1 UNL111111111 0.1491 37 H 1.2673 3.9367 -1.3227 H 1 UNL111111111 0.1674 38 H -0.0124 2.7757 -0.9687 H 1 UNL111111111 0.1596 39 H 2.0724 1.8223 -2.4797 H 1 UNL111111111 0.1539 40 H 2.5522 0.4003 -1.5066 H 1 UNL111111111 0.1499 41 H 0.3553 2.4799 2.0834 H 1 UNL111111111 0.1247 42 H 1.1732 1.1043 2.8794 H 1 UNL111111111 0.1490 43 H 2.1130 2.5392 2.4024 H 1 UNL111111111 0.1486 44 H -1.0461 1.5398 0.5711 H 1 UNL111111111 0.1747 45 H -2.9830 1.8723 -0.2383 H 1 UNL111111111 0.1832 46 H -2.6370 1.1939 2.2174 H 1 UNL111111111 0.1659 47 H -4.0561 2.2393 2.0209 H 1 UNL111111111 0.1784 48 H -4.2576 0.4977 2.2634 H 1 UNL111111111 0.1644 49 H -6.6959 -0.0278 -0.8077 H 1 UNL111111111 0.3504 50 H -3.2586 -3.0439 0.9738 H 1 UNL111111111 0.1551 51 H -3.8234 -3.4715 -0.6990 H 1 UNL111111111 0.1857 52 H 0.5516 -3.0930 -0.3263 H 1 UNL111111111 0.1844 53 H 2.6068 -2.2245 -1.7290 H 1 UNL111111111 0.1585 54 H 5.0145 -2.8097 -1.6137 H 1 UNL111111111 0.1485 55 H 6.3119 -2.3395 0.4488 H 1 UNL111111111 0.1465 56 H 5.1985 -1.2893 2.4027 H 1 UNL111111111 0.1486 57 H 2.7898 -0.6926 2.2884 H 1 UNL111111111 0.1608 @BOND 1 1 31 1 2 1 32 1 3 1 33 1 4 2 3 1 5 2 1 1 6 3 34 1 7 3 35 1 8 4 7 1 9 4 3 1 10 5 4 1 11 5 36 1 12 5 37 1 13 5 38 1 14 6 4 1 15 6 2 1 16 6 39 1 17 6 40 1 18 7 8 1 19 8 41 1 20 8 42 1 21 8 43 1 22 9 24 ar 23 9 7 1 24 10 9 ar 25 10 44 1 26 11 22 ar 27 11 10 ar 28 12 13 1 29 12 11 1 30 13 14 1 31 13 45 1 32 14 46 1 33 14 47 1 34 14 48 1 35 15 13 1 36 16 15 2 37 17 18 1 38 17 15 am 39 17 49 1 40 18 19 2 41 19 20 1 42 19 12 1 43 20 21 1 44 20 50 1 45 20 51 1 46 21 22 1 47 22 23 ar 48 23 24 ar 49 23 52 1 50 24 25 1 51 25 30 ar 52 26 25 ar 53 26 27 ar 54 26 53 1 55 27 28 ar 56 27 54 1 57 28 29 ar 58 28 55 1 59 29 56 1 60 30 29 ar 61 30 57 1