@MOLECULE 9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3-(2h-tetrazol-5-yl)-4h-pyrido[1,2-a]pyrimidin-4-one 51 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.5540 1.8160 -0.1203 O.3 1 UNL1 -0.3173 2 O 4.3789 -1.5245 -1.6825 O.3 1 UNL1 -0.4668 3 O -4.9640 1.0586 -0.2862 O.2 1 UNL1 -0.4170 4 O 6.3914 -2.2367 -0.2402 O.2 1 UNL1 -0.5354 5 N -2.8288 1.7214 0.0820 N.ar 1 UNL1 -0.3873 6 N -1.2339 0.2195 1.0347 N.ar 1 UNL1 -0.5107 7 N -5.6403 -1.6747 -0.0117 N.ar 1 UNL1 -0.2323 8 N -4.0466 -3.0424 0.7922 N.ar 1 UNL1 -0.2512 9 N -6.0690 -2.9513 0.1029 N.ar 1 UNL1 -0.1318 10 N -5.0969 -3.7622 0.5886 N.ar 1 UNL1 -0.0199 11 C 2.9723 0.1487 -0.8964 C.ar 1 UNL1 -0.2077 12 C 2.1205 0.0204 -2.1148 C.3 1 UNL1 -0.2359 13 C 2.6457 1.0423 0.1228 C.ar 1 UNL1 0.3154 14 C 0.8016 -0.6928 -1.7679 C.3 1 UNL1 -0.2484 15 C -0.5630 2.4923 0.5226 C.ar 1 UNL1 -0.1309 16 C 4.1103 -0.6594 -0.7021 C.ar 1 UNL1 0.4034 17 C 0.8084 2.2029 1.0456 C.3 1 UNL1 -0.0374 18 C -1.5459 1.4402 0.5607 C.ar 1 UNL1 0.4195 19 C 4.9083 -0.5673 0.4620 C.ar 1 UNL1 -0.4038 20 C 3.4189 1.1588 1.2950 C.ar 1 UNL1 -0.3640 21 C 4.5316 0.3566 1.4482 C.ar 1 UNL1 0.0161 22 C -0.8816 3.7116 -0.0106 C.ar 1 UNL1 -0.0200 23 C -0.1787 -0.6325 -2.9368 C.3 1 UNL1 -0.4361 24 C -3.1397 2.9722 -0.4305 C.ar 1 UNL1 0.1013 25 C -3.8824 0.6807 0.0731 C.ar 1 UNL1 0.5917 26 C -2.1936 3.9584 -0.4900 C.ar 1 UNL1 -0.2740 27 C -3.4281 -0.6124 0.5015 C.ar 1 UNL1 -0.3635 28 C 6.0859 -1.4185 0.6165 C.2 1 UNL1 0.5502 29 C -2.1338 -0.7829 0.9755 C.ar 1 UNL1 0.2416 30 C -4.3499 -1.7061 0.4229 C.ar 1 UNL1 0.2016 31 C 6.9447 -1.2947 1.8395 C.3 1 UNL1 -0.5392 32 H 1.9075 1.0228 -2.5395 H 1 UNL1 0.1460 33 H 2.6467 -0.5400 -2.9172 H 1 UNL1 0.1613 34 H 1.0071 -1.7433 -1.4888 H 1 UNL1 0.1433 35 H 0.3516 -0.2264 -0.8682 H 1 UNL1 0.1485 36 H 0.8027 1.3762 1.7902 H 1 UNL1 0.1762 37 H 1.2930 3.0955 1.4802 H 1 UNL1 0.1345 38 H 3.1498 1.8731 2.0633 H 1 UNL1 0.1657 39 H 5.1275 0.4441 2.3597 H 1 UNL1 0.1469 40 H -0.1345 4.5079 -0.0772 H 1 UNL1 0.1723 41 H -0.4482 0.4001 -3.1812 H 1 UNL1 0.1336 42 H 0.2472 -1.0865 -3.8389 H 1 UNL1 0.1446 43 H -1.1045 -1.1703 -2.7031 H 1 UNL1 0.1416 44 H -4.1774 3.1107 -0.7809 H 1 UNL1 0.2095 45 H -2.4378 4.9343 -0.9086 H 1 UNL1 0.1847 46 H -1.7700 -1.7684 1.3314 H 1 UNL1 0.2113 47 H 5.2115 -2.0794 -1.4647 H 1 UNL1 0.3828 48 H 6.3877 -1.5449 2.7513 H 1 UNL1 0.1750 49 H 7.3496 -0.2804 1.9509 H 1 UNL1 0.1745 50 H 7.8044 -1.9835 1.7866 H 1 UNL1 0.1849 51 H -7.0018 -3.2288 -0.1478 H 1 UNL1 0.3529 @BOND 1 42 23 1 2 41 23 1 3 23 43 1 4 23 14 1 5 33 12 1 6 32 12 1 7 12 14 1 8 12 11 1 9 14 34 1 10 14 35 1 11 2 47 1 12 2 16 1 13 45 26 1 14 11 16 ar 15 11 13 ar 16 44 24 1 17 16 19 ar 18 26 24 ar 19 26 22 ar 20 24 5 ar 21 3 25 2 22 4 28 2 23 51 9 1 24 1 13 1 25 1 17 1 26 40 22 1 27 7 9 ar 28 7 30 ar 29 22 15 ar 30 25 5 ar 31 25 27 ar 32 5 18 ar 33 9 10 ar 34 13 20 ar 35 30 27 1 36 30 8 ar 37 19 28 1 38 19 21 ar 39 27 29 ar 40 15 18 ar 41 15 17 1 42 18 6 ar 43 10 8 ar 44 28 31 1 45 29 6 ar 46 29 46 1 47 17 37 1 48 17 36 1 49 20 21 ar 50 20 38 1 51 21 39 1 52 50 31 1 53 31 49 1 54 31 48 1