@MOLECULE 2-[(4-isopropyl-6-methoxy-1,1-dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)methoxy]-9-[2-(1-piperidinyl)ethoxy]-4h-pyrido[1,2-a]pyrimidin-4-one 71 75 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 1.5114 -0.7468 1.5506 S.O2 1 UNL1 2.3416 2 O -4.8483 1.8129 0.6350 O.2 1 UNL1 -0.3246 3 O 1.3374 0.3801 2.4230 O.2 1 UNL1 -0.8587 4 O 1.0709 -2.0474 1.9503 O.2 1 UNL1 -0.8259 5 O -1.0536 -1.3657 -0.6169 O.2 1 UNL1 -0.3360 6 O 1.5720 0.0310 -2.1858 O.2 1 UNL1 -0.4747 7 O 6.7459 -1.2380 1.4576 O.3 1 UNL1 -0.3083 8 O -4.9712 -3.9537 -0.9412 O.2 1 UNL1 -0.4853 9 N -1.3757 2.8471 -0.0405 N.3 1 UNL1 -0.4216 10 N 0.8654 -0.3038 -0.0329 N.am 1 UNL1 -0.8046 11 N -5.0855 -1.7777 -0.2952 N.am 1 UNL1 -0.3850 12 N -3.1239 -0.4424 -0.1554 N.2 1 UNL1 -0.6216 13 C -0.9975 3.6961 1.1173 C.3 1 UNL1 -0.1112 14 C -0.7653 3.3743 -1.2913 C.3 1 UNL1 -0.1129 15 C 0.5319 3.6687 1.2935 C.3 1 UNL1 -0.2773 16 C 0.7693 3.3535 -1.1746 C.3 1 UNL1 -0.2705 17 C 1.2299 4.1798 0.0300 C.3 1 UNL1 -0.2686 18 C -2.8476 2.7685 -0.2109 C.3 1 UNL1 -0.1573 19 C 3.1862 -0.5221 -0.4655 C.ar 1 UNL1 -0.2364 20 C 3.1634 -0.7996 0.9099 C.ar 1 UNL1 -0.2595 21 C 4.3952 -0.4942 -1.1648 C.ar 1 UNL1 0.1513 22 C -3.5025 2.1044 1.0133 C.3 1 UNL1 -0.0313 23 C 4.4609 -0.1696 -2.6328 C.3 1 UNL1 -0.1070 24 C 1.8424 -0.2499 -1.0453 C.2 1 UNL1 0.6109 25 C 4.3066 -1.0571 1.6281 C.ar 1 UNL1 -0.2473 26 C 5.5712 -0.7450 -0.4504 C.ar 1 UNL1 -0.2851 27 C -0.5150 -0.0362 -0.3294 C.3 1 UNL1 0.2046 28 C 5.5230 -1.0232 0.9193 C.ar 1 UNL1 0.2802 29 C 5.4505 -1.0741 -3.3737 C.3 1 UNL1 -0.4493 30 C 4.8453 1.3084 -2.7835 C.3 1 UNL1 -0.4391 31 C -5.2701 0.5512 0.4022 C.2 1 UNL1 0.1542 32 C -4.4468 -0.5682 -0.0279 C.2 1 UNL1 0.3673 33 C -2.3709 -1.5259 -0.5280 C.2 1 UNL1 0.5372 34 C -6.6289 0.3984 0.5311 C.3 1 UNL1 -0.1721 35 C -2.9081 -2.7670 -0.8178 C.3 1 UNL1 -0.5622 36 C -4.3032 -2.9728 -0.7292 C.2 1 UNL1 0.6230 37 C -6.4637 -1.9036 -0.1679 C.2 1 UNL1 0.0340 38 C -7.2323 -0.8483 0.2330 C.2 1 UNL1 -0.2206 39 C 6.8100 -1.5557 2.8430 C.3 1 UNL1 -0.2052 40 H -1.4701 3.2735 2.0303 H 1 UNL1 0.1341 41 H -1.3533 4.7417 1.0147 H 1 UNL1 0.1061 42 H -1.1115 4.4014 -1.5314 H 1 UNL1 0.1106 43 H -1.0803 2.7176 -2.1327 H 1 UNL1 0.1386 44 H 0.8189 4.2711 2.1713 H 1 UNL1 0.1258 45 H 0.8577 2.6294 1.5183 H 1 UNL1 0.1782 46 H 1.1184 2.3076 -1.0687 H 1 UNL1 0.1554 47 H 1.2194 3.7343 -2.1076 H 1 UNL1 0.1292 48 H 1.0060 5.2499 -0.1280 H 1 UNL1 0.1276 49 H 2.3267 4.1103 0.1457 H 1 UNL1 0.1306 50 H -3.3220 3.7518 -0.4076 H 1 UNL1 0.1224 51 H -3.0520 2.1245 -1.1013 H 1 UNL1 0.1670 52 H -3.6637 2.8120 1.8488 H 1 UNL1 0.1336 53 H -2.9415 1.2291 1.3776 H 1 UNL1 0.1679 54 H 3.4498 -0.3206 -3.1058 H 1 UNL1 0.1870 55 H 4.2873 -1.2759 2.6928 H 1 UNL1 0.1763 56 H 6.5385 -0.7233 -0.9515 H 1 UNL1 0.1808 57 H -0.6485 0.5562 -1.2634 H 1 UNL1 0.1718 58 H -1.0472 0.4374 0.5284 H 1 UNL1 0.1851 59 H 6.4913 -0.8546 -3.1145 H 1 UNL1 0.1455 60 H 5.3539 -0.9462 -4.4593 H 1 UNL1 0.1543 61 H 5.2655 -2.1320 -3.1520 H 1 UNL1 0.1507 62 H 5.8213 1.5239 -2.3367 H 1 UNL1 0.1444 63 H 4.1043 1.9596 -2.3032 H 1 UNL1 0.1527 64 H 4.8930 1.5932 -3.8411 H 1 UNL1 0.1526 65 H -7.2470 1.2359 0.8572 H 1 UNL1 0.1816 66 H -2.2844 -3.6076 -1.1088 H 1 UNL1 0.2194 67 H -6.8792 -2.8946 -0.4093 H 1 UNL1 0.2073 68 H -8.3121 -0.9516 0.3311 H 1 UNL1 0.1782 69 H 6.4348 -0.7274 3.4524 H 1 UNL1 0.1396 70 H 6.2812 -2.4906 3.0554 H 1 UNL1 0.1417 71 H 7.8912 -1.6848 2.9980 H 1 UNL1 0.1586 @BOND 1 60 29 1 2 64 30 1 3 29 61 1 4 29 59 1 5 29 23 1 6 54 23 1 7 30 23 1 8 30 62 1 9 30 63 1 10 23 21 1 11 6 24 2 12 43 14 1 13 47 16 1 14 42 14 1 15 14 16 1 16 14 9 1 17 57 27 1 18 16 46 1 19 16 17 1 20 21 19 ar 21 21 26 ar 22 66 35 1 23 51 18 1 24 24 19 1 25 24 10 am 26 56 26 1 27 8 36 2 28 35 36 1 29 35 33 1 30 36 11 am 31 5 33 1 32 5 27 1 33 33 12 2 34 19 20 ar 35 26 28 ar 36 67 37 1 37 50 18 1 38 27 10 1 39 27 58 1 40 11 37 1 41 11 32 1 42 18 9 1 43 18 22 1 44 37 38 2 45 12 32 1 46 48 17 1 47 9 13 1 48 10 1 1 49 32 31 2 50 17 49 1 51 17 15 1 52 38 68 1 53 38 34 1 54 31 34 1 55 31 2 1 56 34 65 1 57 2 22 1 58 20 1 1 59 20 25 ar 60 28 7 1 61 28 25 ar 62 22 53 1 63 22 52 1 64 41 13 1 65 13 15 1 66 13 40 1 67 15 45 1 68 15 44 1 69 7 39 1 70 1 4 2 71 1 3 2 72 25 55 1 73 39 71 1 74 39 70 1 75 39 69 1