@MOLECULE 2-(1-{4-[(4-chlorophenoxy)acetyl]-1-piperazinyl}ethyl)-3-(2-ethoxyphenyl)-4(3h)-quinazolinone 70 74 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -6.6427 2.3033 -0.0447 Cl 1 UNL1 -0.0925 2 O -0.9681 -3.7022 -0.0284 O.2 1 UNL1 -0.4833 3 O -2.8746 -2.0691 0.5191 O.3 1 UNL1 -0.2635 4 O 1.4687 2.0930 -2.3923 O.2 1 UNL1 -0.4704 5 O -0.1285 -0.0147 -0.5772 O.3 1 UNL1 -0.4150 6 N 2.8034 -1.9238 1.2078 N.3 1 UNL1 -0.4328 7 N 0.3156 -3.2571 1.7876 N.am 1 UNL1 -0.4787 8 N 2.4840 0.6258 -0.9850 N.ar 1 UNL1 -0.4766 9 N 3.4552 1.3458 1.0524 N.ar 1 UNL1 -0.4924 10 C 3.7363 -1.0261 0.4875 C.3 1 UNL1 0.0687 11 C 2.3251 -3.0319 0.3472 C.3 1 UNL1 -0.1591 12 C 1.7065 -1.1986 1.8831 C.3 1 UNL1 -0.1583 13 C 1.4341 -3.9929 1.1700 C.3 1 UNL1 -0.0831 14 C 0.8337 -2.2018 2.6716 C.3 1 UNL1 -0.0892 15 C 3.1884 0.3873 0.2023 C.ar 1 UNL1 0.3632 16 C 5.0038 -0.9132 1.3516 C.3 1 UNL1 -0.4269 17 C -0.7914 -3.0245 0.9575 C.2 1 UNL1 0.5557 18 C 2.0424 1.9411 -1.3398 C.ar 1 UNL1 0.5970 19 C 1.8937 -0.4467 -1.7259 C.ar 1 UNL1 0.0716 20 C -1.7820 -1.9701 1.4328 C.3 1 UNL1 -0.1558 21 C 3.0248 2.6466 0.8163 C.ar 1 UNL1 0.2375 22 C 2.3444 2.9858 -0.3669 C.ar 1 UNL1 -0.2520 23 C 0.5279 -0.7330 -1.5351 C.ar 1 UNL1 0.1976 24 C 3.2844 3.6389 1.7851 C.ar 1 UNL1 -0.1930 25 C 2.6345 -1.1911 -2.6442 C.ar 1 UNL1 -0.1416 26 C 1.9310 4.3063 -0.5912 C.ar 1 UNL1 -0.0436 27 C 2.8660 4.9349 1.5491 C.ar 1 UNL1 -0.0812 28 C 2.1909 5.2736 0.3634 C.ar 1 UNL1 -0.2079 29 C -0.0847 -1.7833 -2.2143 C.ar 1 UNL1 -0.2012 30 C 2.0190 -2.2399 -3.3241 C.ar 1 UNL1 -0.1721 31 C 0.6743 -2.5401 -3.1030 C.ar 1 UNL1 -0.0983 32 C -3.7108 -0.9975 0.4865 C.ar 1 UNL1 0.2367 33 C -1.1595 0.8449 -1.1035 C.3 1 UNL1 -0.0018 34 C -3.8257 -0.0287 1.4851 C.ar 1 UNL1 -0.2733 35 C -4.5081 -0.9705 -0.6722 C.ar 1 UNL1 -0.2248 36 C -1.3320 1.9036 -0.0271 C.3 1 UNL1 -0.4591 37 C -4.7517 1.0007 1.3170 C.ar 1 UNL1 -0.1029 38 C -5.4264 0.0560 -0.8307 C.ar 1 UNL1 -0.1054 39 C -5.5238 1.0255 0.1655 C.ar 1 UNL1 -0.0498 40 H 4.0261 -1.4810 -0.5003 H 1 UNL1 0.1516 41 H 2.1687 -0.4689 2.5894 H 1 UNL1 0.1689 42 H 1.7592 -2.6892 -0.5445 H 1 UNL1 0.1425 43 H 1.0683 -0.6178 1.1818 H 1 UNL1 0.1424 44 H 3.2169 -3.5874 -0.0175 H 1 UNL1 0.1469 45 H 1.0398 -4.8030 0.5153 H 1 UNL1 0.1660 46 H 2.0236 -4.4757 1.9802 H 1 UNL1 0.1530 47 H 1.4509 -2.6948 3.4617 H 1 UNL1 0.1638 48 H 0.0129 -1.6779 3.1979 H 1 UNL1 0.1380 49 H 4.7766 -0.4668 2.3308 H 1 UNL1 0.1728 50 H 5.4287 -1.9056 1.5400 H 1 UNL1 0.1524 51 H 5.7612 -0.2839 0.8739 H 1 UNL1 0.1510 52 H -1.3208 -0.9613 1.3747 H 1 UNL1 0.1714 53 H -2.1529 -2.1860 2.4512 H 1 UNL1 0.1579 54 H 3.8118 3.3617 2.6965 H 1 UNL1 0.1761 55 H 3.6776 -0.9408 -2.8354 H 1 UNL1 0.1692 56 H 1.4086 4.5505 -1.5204 H 1 UNL1 0.1740 57 H 3.0605 5.7118 2.2891 H 1 UNL1 0.1490 58 H 1.8768 6.3025 0.2020 H 1 UNL1 0.1588 59 H -1.1322 -2.0237 -2.0216 H 1 UNL1 0.1911 60 H 2.5935 -2.8260 -4.0396 H 1 UNL1 0.1594 61 H 0.2096 -3.3760 -3.6276 H 1 UNL1 0.1611 62 H -0.8341 1.2776 -2.0682 H 1 UNL1 0.1496 63 H -2.0596 0.2222 -1.2485 H 1 UNL1 0.1310 64 H -3.2236 -0.0675 2.3871 H 1 UNL1 0.1676 65 H -4.3928 -1.7540 -1.4204 H 1 UNL1 0.1834 66 H -1.6363 1.4660 0.9307 H 1 UNL1 0.1516 67 H -0.3954 2.4513 0.1465 H 1 UNL1 0.1594 68 H -2.0944 2.6360 -0.3199 H 1 UNL1 0.1600 69 H -4.8595 1.7681 2.0841 H 1 UNL1 0.1662 70 H -6.0557 0.1022 -1.7208 H 1 UNL1 0.1713 @BOND 1 60 30 1 2 61 31 1 3 30 31 ar 4 30 25 ar 5 31 29 ar 6 55 25 1 7 25 19 ar 8 4 18 2 9 29 59 1 10 29 23 ar 11 62 33 1 12 19 23 ar 13 19 8 1 14 70 38 1 15 23 5 1 16 56 26 1 17 65 35 1 18 18 8 ar 19 18 22 ar 20 63 33 1 21 33 5 1 22 33 36 1 23 8 15 ar 24 38 35 ar 25 38 39 ar 26 35 32 ar 27 26 22 ar 28 26 28 ar 29 42 11 1 30 40 10 1 31 22 21 ar 32 68 36 1 33 1 39 1 34 2 17 2 35 36 67 1 36 36 66 1 37 44 11 1 38 39 37 ar 39 58 28 1 40 15 10 1 41 15 9 ar 42 11 13 1 43 11 6 1 44 28 27 ar 45 32 3 1 46 32 34 ar 47 10 6 1 48 10 16 1 49 45 13 1 50 3 20 1 51 21 9 ar 52 21 24 ar 53 51 16 1 54 17 20 1 55 17 7 am 56 13 7 1 57 13 46 1 58 43 12 1 59 6 12 1 60 37 34 ar 61 37 69 1 62 16 50 1 63 16 49 1 64 52 20 1 65 20 53 1 66 34 64 1 67 27 24 ar 68 27 57 1 69 24 54 1 70 7 14 1 71 12 41 1 72 12 14 1 73 14 48 1 74 14 47 1