@MOLECULE 6-chloro-4-(cyclohexyloxy)-3-(propan-2-yl)quinolin-2-ol 44 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.6392 1.8713 -0.0219 C.3 1 UNL1 0.1406 2 C -1.9899 2.0896 0.6664 C.3 1 UNL1 -0.3160 3 C -1.9317 3.3809 1.4889 C.3 1 UNL1 -0.2598 4 C -1.5616 4.5743 0.5973 C.3 1 UNL1 -0.2693 5 C -0.2241 4.3306 -0.1155 C.3 1 UNL1 -0.2608 6 C -0.2783 3.0425 -0.9431 C.3 1 UNL1 -0.2990 7 N 0.0777 -2.9774 0.6312 N.ar 1 UNL1 -0.5374 8 C -1.2690 -2.6845 0.2749 C.ar 1 UNL1 0.5983 9 O -2.0572 -3.5860 0.4623 O.2 1 UNL1 -0.4984 10 C -1.5388 -1.3465 -0.2407 C.ar 1 UNL1 -0.2299 11 C -0.5180 -0.4626 -0.3893 C.ar 1 UNL1 0.2801 12 O -0.7695 0.7621 -0.9336 O.3 1 UNL1 -0.3932 13 C 1.1204 -2.0878 0.4405 C.ar 1 UNL1 0.2483 14 C 0.8568 -0.8086 -0.0987 C.ar 1 UNL1 -0.1897 15 C 1.9292 0.0552 -0.3684 C.ar 1 UNL1 -0.0711 16 C 3.2064 -0.3434 -0.0393 C.ar 1 UNL1 -0.0591 17 C 3.4856 -1.5885 0.5374 C.ar 1 UNL1 -0.0756 18 C 2.4458 -2.4647 0.7721 C.ar 1 UNL1 -0.2478 19 CL 4.5053 0.7234 -0.3498 Cl 1 UNL1 -0.0823 20 C -2.9545 -1.0095 -0.6070 C.3 1 UNL1 -0.0256 21 C -3.4144 -1.8958 -1.7726 C.3 1 UNL1 -0.4503 22 C -3.8820 -1.1797 0.6027 C.3 1 UNL1 -0.4560 23 H 0.1612 1.6682 0.7203 H 1 UNL1 0.1259 24 H -2.7962 2.1484 -0.0898 H 1 UNL1 0.1555 25 H -2.2406 1.2248 1.3083 H 1 UNL1 0.1494 26 H -1.1953 3.2781 2.3082 H 1 UNL1 0.1381 27 H -2.9065 3.5609 1.9787 H 1 UNL1 0.1354 28 H -1.5052 5.4968 1.2032 H 1 UNL1 0.1320 29 H -2.3597 4.7496 -0.1484 H 1 UNL1 0.1395 30 H 0.5959 4.2746 0.6255 H 1 UNL1 0.1388 31 H 0.0187 5.1882 -0.7697 H 1 UNL1 0.1358 32 H 0.6856 2.8581 -1.4509 H 1 UNL1 0.1448 33 H -1.0278 3.1283 -1.7540 H 1 UNL1 0.1578 34 H 0.2690 -3.9022 1.0106 H 1 UNL1 0.3274 35 H 1.7389 1.0198 -0.8482 H 1 UNL1 0.1823 36 H 4.5117 -1.8636 0.7901 H 1 UNL1 0.1698 37 H 2.6369 -3.4440 1.2053 H 1 UNL1 0.1697 38 H -3.0015 0.0605 -0.9445 H 1 UNL1 0.1487 39 H -4.4245 -1.6278 -2.0966 H 1 UNL1 0.1421 40 H -2.7464 -1.7963 -2.6346 H 1 UNL1 0.1454 41 H -3.4303 -2.9557 -1.4836 H 1 UNL1 0.1650 42 H -3.9383 -2.2333 0.9143 H 1 UNL1 0.1710 43 H -3.5338 -0.6022 1.4638 H 1 UNL1 0.1374 44 H -4.9004 -0.8568 0.3663 H 1 UNL1 0.1421 @BOND 1 40 21 1 2 39 21 1 3 21 41 1 4 21 20 1 5 33 6 1 6 32 6 1 7 38 20 1 8 6 5 1 9 6 1 1 10 12 11 1 11 12 1 1 12 35 15 1 13 31 5 1 14 20 10 1 15 20 22 1 16 11 10 ar 17 11 14 ar 18 15 14 ar 19 15 16 ar 20 19 16 1 21 10 8 ar 22 29 4 1 23 5 4 1 24 5 30 1 25 14 13 ar 26 24 2 1 27 16 17 ar 28 1 2 1 29 1 23 1 30 8 9 2 31 8 7 ar 32 44 22 1 33 13 7 ar 34 13 18 ar 35 17 18 ar 36 17 36 1 37 4 28 1 38 4 3 1 39 22 42 1 40 22 43 1 41 7 34 1 42 2 25 1 43 2 3 1 44 18 37 1 45 3 27 1 46 3 26 1