@MOLECULE (9s)-3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-one 58 62 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -9.2702 1.8473 0.2233 F 1 UNL1 -0.1625 2 O -6.3101 -1.7147 -0.9833 O.2 1 UNL1 0.0194 3 O 7.4014 2.4129 0.7308 O.3 1 UNL1 -0.5393 4 O 4.0323 -2.1914 -0.0354 O.2 1 UNL1 -0.5041 5 N -0.2487 -0.7309 0.0961 N.3 1 UNL1 -0.4248 6 N 5.6184 -0.5862 -0.0252 N.ar 1 UNL1 -0.4480 7 N -4.9646 -1.8875 -0.6794 N.ar 1 UNL1 -0.2169 8 N 5.0970 1.6470 -0.5991 N.ar 1 UNL1 -0.5455 9 C -3.1286 -0.6952 0.5336 C.3 1 UNL1 -0.0976 10 C -2.4158 0.3577 -0.3375 C.3 1 UNL1 -0.2845 11 C -2.3231 -2.0029 0.4836 C.3 1 UNL1 -0.2794 12 C -0.9761 0.5586 0.1677 C.3 1 UNL1 -0.1012 13 C -0.8831 -1.7517 0.9631 C.3 1 UNL1 -0.1051 14 C 1.1871 -0.5550 0.4174 C.3 1 UNL1 -0.1117 15 C -4.5215 -0.8719 0.0386 C.ar 1 UNL1 0.1011 16 C 1.9446 -0.4308 -0.9265 C.3 1 UNL1 -0.2374 17 C 3.3450 0.0063 -0.6820 C.ar 1 UNL1 -0.3063 18 C 6.5663 -1.5924 0.4904 C.3 1 UNL1 -0.0747 19 C 7.4037 1.2170 -0.0099 C.3 1 UNL1 0.1536 20 C 8.0238 -1.1767 0.2700 C.3 1 UNL1 -0.2961 21 C 8.2499 0.2347 0.8022 C.3 1 UNL1 -0.2997 22 C 5.9662 0.7275 -0.2079 C.ar 1 UNL1 0.3342 23 C -5.6158 0.0720 0.2569 C.ar 1 UNL1 -0.2015 24 C 4.2634 -1.0211 -0.2454 C.ar 1 UNL1 0.5790 25 C 3.7810 1.2994 -0.8300 C.ar 1 UNL1 0.3008 26 C -6.7104 -0.5255 -0.4178 C.ar 1 UNL1 0.1177 27 C -5.7783 1.2850 0.9173 C.ar 1 UNL1 -0.0261 28 C 2.9031 2.4281 -1.2497 C.3 1 UNL1 -0.4442 29 C -7.9784 0.0379 -0.4643 C.ar 1 UNL1 -0.2887 30 C -7.0332 1.8801 0.8950 C.ar 1 UNL1 -0.2738 31 C -8.0906 1.2480 0.2136 C.ar 1 UNL1 0.2635 32 H -3.1699 -0.3331 1.5937 H 1 UNL1 0.1524 33 H -2.3916 0.0143 -1.3924 H 1 UNL1 0.1670 34 H -2.9625 1.3152 -0.3303 H 1 UNL1 0.1348 35 H -2.8030 -2.7845 1.0983 H 1 UNL1 0.1455 36 H -2.3060 -2.3977 -0.5546 H 1 UNL1 0.1734 37 H -0.4518 1.2854 -0.4912 H 1 UNL1 0.1353 38 H -0.9872 0.9921 1.1904 H 1 UNL1 0.1088 39 H -0.8782 -1.4699 2.0367 H 1 UNL1 0.1090 40 H -0.2959 -2.6934 0.8651 H 1 UNL1 0.1466 41 H 1.5858 -1.4358 0.9679 H 1 UNL1 0.1492 42 H 1.3863 0.3278 1.0571 H 1 UNL1 0.1163 43 H 1.9196 -1.4168 -1.4442 H 1 UNL1 0.1739 44 H 1.4064 0.2564 -1.6079 H 1 UNL1 0.1543 45 H 6.3536 -2.5699 -0.0121 H 1 UNL1 0.1761 46 H 6.3562 -1.7472 1.5758 H 1 UNL1 0.1571 47 H 7.8492 1.4278 -1.0141 H 1 UNL1 0.1467 48 H 8.2879 -1.2364 -0.8046 H 1 UNL1 0.1545 49 H 8.6944 -1.8968 0.7795 H 1 UNL1 0.1589 50 H 7.9847 0.3102 1.8776 H 1 UNL1 0.1718 51 H 9.3168 0.5249 0.7496 H 1 UNL1 0.1623 52 H -4.9437 1.7518 1.4395 H 1 UNL1 0.1625 53 H 3.4291 3.3969 -1.2121 H 1 UNL1 0.1783 54 H 2.0169 2.5084 -0.6028 H 1 UNL1 0.1674 55 H 2.5516 2.2918 -2.2849 H 1 UNL1 0.1725 56 H 6.7025 3.0268 0.3938 H 1 UNL1 0.3469 57 H -8.8075 -0.4328 -0.9841 H 1 UNL1 0.1965 58 H -7.2022 2.8291 1.4022 H 1 UNL1 0.1816 @BOND 1 55 28 1 2 44 16 1 3 43 16 1 4 33 10 1 5 28 53 1 6 28 25 1 7 28 54 1 8 47 19 1 9 57 29 1 10 2 7 ar 11 2 26 ar 12 16 17 1 13 16 14 1 14 25 17 ar 15 25 8 ar 16 48 20 1 17 17 24 ar 18 7 15 ar 19 8 22 ar 20 36 11 1 21 37 12 1 22 29 26 ar 23 29 31 ar 24 26 23 ar 25 10 34 1 26 10 12 1 27 10 9 1 28 24 4 2 29 24 6 ar 30 22 6 ar 31 22 19 1 32 6 18 1 33 45 18 1 34 19 3 1 35 19 21 1 36 15 23 ar 37 15 9 1 38 5 12 1 39 5 14 1 40 5 13 1 41 12 38 1 42 31 1 1 43 31 30 ar 44 23 27 ar 45 20 18 1 46 20 49 1 47 20 21 1 48 56 3 1 49 14 41 1 50 14 42 1 51 11 9 1 52 11 13 1 53 11 35 1 54 18 46 1 55 9 32 1 56 51 21 1 57 21 50 1 58 40 13 1 59 30 27 ar 60 30 58 1 61 27 52 1 62 13 39 1