@MOLECULE 6-{2-hydroxy-3-[(3-methoxybenzyl)amino]propoxy}quinolin-2-ol 48 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.3303 -3.1270 -0.3884 O.3 1 UNL1 -0.3667 2 O 2.6446 -4.6434 -0.0274 O.3 1 UNL1 -0.5587 3 O 1.0091 4.2589 -1.1463 O.3 1 UNL1 -0.3165 4 O -5.4879 1.6185 0.4153 O.2 1 UNL1 -0.5076 5 N 2.8841 -1.0037 0.3532 N.3 1 UNL1 -0.5431 6 N -3.8833 0.4394 -0.6088 N.ar 1 UNL1 -0.5237 7 C 2.6768 -3.2954 -0.4288 C.3 1 UNL1 0.1421 8 C 2.7655 -2.3968 0.8309 C.3 1 UNL1 -0.1637 9 C 1.4408 -2.9560 -1.2751 C.3 1 UNL1 -0.0923 10 C 1.9403 -0.0904 1.0436 C.3 1 UNL1 -0.1290 11 C 2.2787 1.3375 0.6999 C.ar 1 UNL1 0.0697 12 C -0.6771 -2.2171 -0.5066 C.ar 1 UNL1 0.1950 13 C -2.4102 -1.0138 0.6551 C.ar 1 UNL1 -0.0934 14 C -2.8249 -0.4645 -0.5777 C.ar 1 UNL1 0.1832 15 C -1.3240 -1.8998 0.6800 C.ar 1 UNL1 -0.1893 16 C -1.0987 -1.6934 -1.7435 C.ar 1 UNL1 -0.1731 17 C -2.1651 -0.8194 -1.7768 C.ar 1 UNL1 -0.2066 18 C 1.4123 2.0825 -0.1008 C.ar 1 UNL1 -0.3115 19 C 3.4489 1.9074 1.2009 C.ar 1 UNL1 -0.2600 20 C -3.1022 -0.6296 1.8615 C.ar 1 UNL1 -0.0414 21 C 1.7460 3.4060 -0.3874 C.ar 1 UNL1 0.2655 22 C 3.7680 3.2318 0.8938 C.ar 1 UNL1 -0.0675 23 C -4.1270 0.2450 1.8178 C.ar 1 UNL1 -0.2866 24 C -4.5768 0.8299 0.5568 C.ar 1 UNL1 0.5785 25 C 2.9243 3.9946 0.1001 C.ar 1 UNL1 -0.2623 26 C -0.2305 3.7774 -1.6461 C.3 1 UNL1 -0.2024 27 H 3.6052 -3.2344 -1.0411 H 1 UNL1 0.1515 28 H 3.6295 -2.7161 1.4489 H 1 UNL1 0.1341 29 H 1.8594 -2.5512 1.4537 H 1 UNL1 0.1485 30 H 1.5171 -1.9235 -1.6652 H 1 UNL1 0.1628 31 H 1.2870 -3.6789 -2.0932 H 1 UNL1 0.1383 32 H 3.8405 -0.6641 0.4230 H 1 UNL1 0.2638 33 H 1.9407 -0.2167 2.1508 H 1 UNL1 0.1289 34 H 0.9144 -0.3572 0.6977 H 1 UNL1 0.1571 35 H -0.9897 -2.3391 1.6183 H 1 UNL1 0.1723 36 H -0.5922 -1.9860 -2.6621 H 1 UNL1 0.1687 37 H -2.5019 -0.4022 -2.7235 H 1 UNL1 0.1638 38 H 0.5087 1.6290 -0.4922 H 1 UNL1 0.1678 39 H 1.7892 -4.8623 0.3966 H 1 UNL1 0.3271 40 H 4.1132 1.3284 1.8348 H 1 UNL1 0.1525 41 H -2.7650 -1.0703 2.8031 H 1 UNL1 0.1630 42 H -4.1917 0.8191 -1.4982 H 1 UNL1 0.3229 43 H 4.6866 3.6704 1.2846 H 1 UNL1 0.1519 44 H -4.6763 0.5703 2.7005 H 1 UNL1 0.1877 45 H 3.1535 5.0274 -0.1470 H 1 UNL1 0.1732 46 H -0.9032 3.5027 -0.8269 H 1 UNL1 0.1381 47 H -0.6200 4.6522 -2.1847 H 1 UNL1 0.1539 48 H -0.0739 2.9410 -2.3340 H 1 UNL1 0.1332 @BOND 1 37 17 1 2 36 16 1 3 48 26 1 4 47 26 1 5 31 9 1 6 17 16 ar 7 17 14 ar 8 16 12 ar 9 30 9 1 10 26 3 1 11 26 46 1 12 42 6 1 13 9 7 1 14 9 1 1 15 3 21 1 16 27 7 1 17 6 14 ar 18 6 24 ar 19 14 13 ar 20 12 1 1 21 12 15 ar 22 38 18 1 23 7 2 1 24 7 8 1 25 21 18 ar 26 21 25 ar 27 45 25 1 28 18 11 ar 29 2 39 1 30 25 22 ar 31 5 32 1 32 5 8 1 33 5 10 1 34 4 24 2 35 24 23 ar 36 13 15 ar 37 13 20 ar 38 15 35 1 39 34 10 1 40 11 10 1 41 11 19 ar 42 8 28 1 43 8 29 1 44 22 19 ar 45 22 43 1 46 10 33 1 47 19 40 1 48 23 20 ar 49 23 44 1 50 20 41 1