@MOLECULE (8S,9R,9aS)-9-[(5-chloro-3-pyridyl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9a-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-4-one 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.6032 2.3828 -0.2908 C.2 1 UNL111111111 0.5929 2 C -3.4989 1.2255 0.0780 C.3 1 UNL111111111 -0.4386 3 C -2.8138 -0.1160 -0.0453 C.2 1 UNL111111111 0.4316 4 C 0.9160 1.6772 0.1107 C.3 1 UNL111111111 0.0296 5 C 0.5172 3.1371 -0.2174 C.3 1 UNL111111111 -0.3209 6 C -0.5436 3.2012 -1.3307 C.3 1 UNL111111111 -0.0440 7 C 0.4372 1.3169 1.5572 C.3 1 UNL111111111 0.4906 8 C -2.7464 -3.2799 -0.4294 C.3 1 UNL111111111 -0.0943 9 C -2.7853 -2.4581 0.8767 C.3 1 UNL111111111 0.0625 10 C 1.0583 -0.5792 -0.9398 C.3 1 UNL111111111 -0.0808 11 C 3.3416 -1.1763 -0.0526 C.ar 1 UNL111111111 -0.1169 12 C -1.3982 -2.3026 1.4865 C.3 1 UNL111111111 -0.4658 13 N -1.6988 -0.2934 -0.6734 N.2 1 UNL111111111 -0.6107 14 N -1.5367 2.1298 -1.1528 N.am 1 UNL111111111 -0.5598 15 C -0.9637 0.7758 -1.3247 C.3 1 UNL111111111 0.4326 16 N 0.4777 0.7818 -0.9525 N.3 1 UNL111111111 -0.5031 17 N -3.4742 -1.1584 0.6471 N.pl3 1 UNL111111111 -0.4259 18 O -2.8579 3.5158 0.0532 O.2 1 UNL111111111 -0.4964 19 F -0.8790 1.2927 1.7379 F 1 UNL111111111 -0.2106 20 F 0.8598 0.1321 1.9965 F 1 UNL111111111 -0.2189 21 F 0.8858 2.1618 2.4858 F 1 UNL111111111 -0.2068 22 C -4.8402 -1.4341 0.1354 C.3 1 UNL111111111 -0.1357 23 C -4.7794 -2.3027 -1.1374 C.3 1 UNL111111111 -0.0816 24 O -4.0730 -3.5010 -0.8830 O.3 1 UNL111111111 -0.3833 25 C 2.5556 -0.5062 -0.9887 C.ar 1 UNL111111111 -0.0929 26 C 4.7222 -1.0746 -0.1764 C.ar 1 UNL111111111 -0.0807 27 C 5.2981 -0.3229 -1.2051 C.ar 1 UNL111111111 0.0263 28 N 4.5320 0.3235 -2.1036 N.ar 1 UNL111111111 -0.3517 29 C 3.1951 0.2339 -2.0003 C.ar 1 UNL111111111 0.0463 30 CL 5.7298 -1.8685 0.9375 Cl 1 UNL111111111 -0.0464 31 H -3.8624 1.3794 1.1268 H 1 UNL111111111 0.2233 32 H -4.4138 1.2738 -0.5543 H 1 UNL111111111 0.1994 33 H 2.0479 1.6213 0.1362 H 1 UNL111111111 0.1797 34 H 0.1362 3.6756 0.6731 H 1 UNL111111111 0.1752 35 H 1.4166 3.7006 -0.5351 H 1 UNL111111111 0.1626 36 H -1.0588 4.1906 -1.3271 H 1 UNL111111111 0.1695 37 H -0.0744 3.0757 -2.3335 H 1 UNL111111111 0.1525 38 H -2.1532 -2.7824 -1.2163 H 1 UNL111111111 0.1481 39 H -2.3702 -4.3040 -0.2690 H 1 UNL111111111 0.1456 40 H -3.4403 -2.9970 1.6222 H 1 UNL111111111 0.1527 41 H 0.6981 -1.1999 -0.0850 H 1 UNL111111111 0.1587 42 H 0.6827 -1.1136 -1.8522 H 1 UNL111111111 0.1707 43 H 2.8866 -1.7576 0.7531 H 1 UNL111111111 0.1861 44 H -1.4055 -1.5592 2.2961 H 1 UNL111111111 0.1714 45 H -1.0459 -3.2489 1.9115 H 1 UNL111111111 0.1518 46 H -0.6564 -1.9713 0.7472 H 1 UNL111111111 0.1661 47 H -0.9793 0.5492 -2.4453 H 1 UNL111111111 0.1729 48 H -5.3907 -1.9724 0.9427 H 1 UNL111111111 0.1652 49 H -5.3984 -0.4956 -0.0455 H 1 UNL111111111 0.1471 50 H -5.7771 -2.6668 -1.4402 H 1 UNL111111111 0.1460 51 H -4.3080 -1.7674 -1.9800 H 1 UNL111111111 0.1305 52 H 6.3834 -0.2217 -1.3304 H 1 UNL111111111 0.1882 53 H 2.6141 0.7855 -2.7525 H 1 UNL111111111 0.1902 @BOND 1 1 2 1 2 2 3 1 3 2 31 1 4 2 32 1 5 3 17 1 6 4 5 1 7 4 16 1 8 4 33 1 9 5 34 1 10 5 35 1 11 6 5 1 12 6 14 1 13 6 36 1 14 6 37 1 15 7 4 1 16 8 38 1 17 8 39 1 18 9 17 1 19 9 8 1 20 9 40 1 21 10 16 1 22 10 25 1 23 10 41 1 24 10 42 1 25 11 26 ar 26 11 43 1 27 12 9 1 28 12 44 1 29 12 45 1 30 12 46 1 31 13 3 2 32 14 15 1 33 14 1 am 34 15 13 1 35 15 47 1 36 16 15 1 37 17 22 1 38 18 1 2 39 19 7 1 40 20 7 1 41 21 7 1 42 22 23 1 43 22 48 1 44 22 49 1 45 23 50 1 46 23 51 1 47 24 8 1 48 24 23 1 49 25 11 ar 50 25 29 ar 51 26 30 1 52 26 27 ar 53 27 52 1 54 28 27 ar 55 29 28 ar 56 29 53 1