@MOLECULE (1r)-9-[(3s,4s)-1,3-dimethyl-4-piperidinyl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one 58 62 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.4211 2.2118 1.6111 C.ar 1 UNL111111111 -0.1788 2 C 5.0655 2.5893 0.4327 C.ar 1 UNL111111111 -0.1092 3 C 3.0831 1.8248 1.5914 C.ar 1 UNL111111111 -0.1125 4 C 4.3747 2.5988 -0.7768 C.ar 1 UNL111111111 -0.2184 5 C -0.0296 2.3177 0.2698 C.ar 1 UNL111111111 -0.1529 6 C -0.6825 -0.4074 0.3262 C.ar 1 UNL111111111 -0.2260 7 C 2.3719 1.8039 0.3890 C.ar 1 UNL111111111 -0.0700 8 C 0.9772 1.3536 0.3488 C.ar 1 UNL111111111 -0.0488 9 C 0.6557 -0.0114 0.3803 C.ar 1 UNL111111111 0.0338 10 C -1.7045 0.5412 0.2450 C.ar 1 UNL111111111 0.1263 11 C -1.3541 1.9068 0.2244 C.ar 1 UNL111111111 0.1076 12 C 3.0361 2.2117 -0.7718 C.ar 1 UNL111111111 0.1893 13 C -4.0046 1.1965 -0.0964 C.2 1 UNL111111111 0.2246 14 C -4.9868 -1.3565 0.3247 C.2 1 UNL111111111 0.5152 15 C -3.4901 2.5690 -0.4550 C.3 1 UNL111111111 -0.0547 16 C 1.3586 -2.3006 1.2268 C.3 1 UNL111111111 -0.2739 17 C 2.5660 -3.2526 1.2961 C.3 1 UNL111111111 -0.1181 18 C 3.3747 -2.4482 -0.8689 C.3 1 UNL111111111 -0.1346 19 C 1.7513 -1.0400 0.4421 C.3 1 UNL111111111 -0.1331 20 C -3.4821 -1.1960 0.0515 C.3 1 UNL111111111 0.0310 21 C 2.2204 -1.4224 -0.9845 C.3 1 UNL111111111 -0.0841 22 C -3.2167 -1.7053 -1.3673 C.3 1 UNL111111111 -0.4853 23 C 1.0993 -1.9772 -1.8635 C.3 1 UNL111111111 -0.4426 24 C 4.0316 -4.6433 -0.0602 C.3 1 UNL111111111 -0.2864 25 N -5.7864 -0.2311 0.1956 N.am 1 UNL111111111 -0.4076 26 N -3.0720 0.2048 0.2520 N.pl3 1 UNL111111111 -0.4169 27 N -5.2987 1.0143 -0.0788 N.2 1 UNL111111111 -0.2533 28 N 2.9503 -3.6347 -0.0851 N.3 1 UNL111111111 -0.3982 29 O -5.4855 -2.4243 0.5973 O.2 1 UNL111111111 -0.4862 30 O -2.2996 2.8972 0.2413 O.3 1 UNL111111111 -0.2873 31 F 2.3679 2.2285 -1.9142 F 1 UNL111111111 -0.1634 32 H 4.9669 2.2204 2.5526 H 1 UNL111111111 0.1549 33 H 6.1140 2.8826 0.4576 H 1 UNL111111111 0.1508 34 H 2.5811 1.5335 2.5153 H 1 UNL111111111 0.1651 35 H 4.8681 2.9010 -1.6981 H 1 UNL111111111 0.1711 36 H 0.2120 3.3804 0.2451 H 1 UNL111111111 0.1798 37 H -0.9201 -1.4705 0.3473 H 1 UNL111111111 0.1752 38 H -3.3056 2.6437 -1.5466 H 1 UNL111111111 0.1566 39 H -4.1847 3.3768 -0.1355 H 1 UNL111111111 0.1851 40 H 0.5165 -2.8251 0.7340 H 1 UNL111111111 0.1562 41 H 1.0198 -2.0364 2.2434 H 1 UNL111111111 0.1395 42 H 3.3970 -2.7850 1.8644 H 1 UNL111111111 0.1103 43 H 2.2789 -4.1777 1.8416 H 1 UNL111111111 0.1345 44 H 3.6533 -2.7979 -1.8872 H 1 UNL111111111 0.1407 45 H 4.2708 -1.9513 -0.4405 H 1 UNL111111111 0.1086 46 H 2.6360 -0.5914 0.9703 H 1 UNL111111111 0.1487 47 H -2.9314 -1.8271 0.8080 H 1 UNL111111111 0.1850 48 H 2.6278 -0.5033 -1.4731 H 1 UNL111111111 0.1347 49 H -2.1505 -1.6483 -1.6269 H 1 UNL111111111 0.1720 50 H -3.5252 -2.7565 -1.4704 H 1 UNL111111111 0.1780 51 H -3.7641 -1.1285 -2.1231 H 1 UNL111111111 0.1624 52 H 0.7152 -2.9235 -1.4588 H 1 UNL111111111 0.1622 53 H 0.2679 -1.2701 -1.9489 H 1 UNL111111111 0.1438 54 H 1.4608 -2.1870 -2.8760 H 1 UNL111111111 0.1409 55 H 4.9704 -4.2984 0.3971 H 1 UNL111111111 0.1176 56 H 3.6804 -5.5328 0.4887 H 1 UNL111111111 0.1449 57 H 4.2419 -4.9659 -1.0937 H 1 UNL111111111 0.1463 58 H -6.7966 -0.2484 0.3110 H 1 UNL111111111 0.3495 @BOND 1 1 3 ar 2 1 32 1 3 2 1 ar 4 2 33 1 5 3 34 1 6 4 2 ar 7 4 12 ar 8 4 35 1 9 5 11 ar 10 5 36 1 11 6 10 ar 12 6 37 1 13 7 3 ar 14 7 8 1 15 8 9 ar 16 8 5 ar 17 9 6 ar 18 10 26 1 19 11 10 ar 20 11 30 1 21 12 7 ar 22 13 27 2 23 14 29 2 24 14 25 am 25 15 13 1 26 15 38 1 27 15 39 1 28 16 40 1 29 16 41 1 30 17 16 1 31 17 42 1 32 17 43 1 33 18 21 1 34 18 28 1 35 18 44 1 36 18 45 1 37 19 9 1 38 19 16 1 39 19 46 1 40 20 26 1 41 20 14 1 42 20 47 1 43 21 23 1 44 21 19 1 45 21 48 1 46 22 20 1 47 22 49 1 48 22 50 1 49 22 51 1 50 23 52 1 51 23 53 1 52 23 54 1 53 24 28 1 54 24 55 1 55 24 56 1 56 24 57 1 57 25 58 1 58 26 13 1 59 27 25 1 60 28 17 1 61 30 15 1 62 31 12 1