@MOLECULE 4-{(1r)-1-[1-(4-chlorophenyl)-1h-1,2,3-triazol-4-yl]ethoxy}-2(1h)-quinolinone 41 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -7.7552 0.8071 1.1098 Cl 1 UNL1 -0.0662 2 C -6.1700 0.4260 0.6045 C.ar 1 UNL1 0.0117 3 C -5.2542 -0.0114 1.5533 C.ar 1 UNL1 -0.1347 4 C -3.9608 -0.3237 1.1442 C.ar 1 UNL1 -0.1795 5 C -3.6163 -0.1944 -0.2089 C.ar 1 UNL1 0.1460 6 C -4.5551 0.2524 -1.1525 C.ar 1 UNL1 -0.1424 7 C -5.8452 0.5660 -0.7400 C.ar 1 UNL1 -0.1375 8 N -2.3031 -0.5187 -0.6348 N.ar 1 UNL1 -0.1590 9 C -1.2551 -1.0627 0.1035 C.ar 1 UNL1 -0.0931 10 C -0.2036 -1.1982 -0.8086 C.ar 1 UNL1 -0.0559 11 N -0.6683 -0.7224 -2.0419 N.ar 1 UNL1 -0.1586 12 N -1.8847 -0.3318 -1.9351 N.ar 1 UNL1 -0.0382 13 C 1.1796 -1.6944 -0.5935 C.3 1 UNL1 0.1684 14 C 1.6945 -2.5334 -1.7511 C.3 1 UNL1 -0.4815 15 O 1.9345 -0.4624 -0.5395 O.3 1 UNL1 -0.3284 16 C 3.1491 -0.4720 0.0329 C.ar 1 UNL1 0.3728 17 C 3.7876 0.8241 -0.0727 C.ar 1 UNL1 -0.2206 18 C 3.1926 1.9095 -0.7367 C.ar 1 UNL1 -0.0176 19 C 3.8428 3.1272 -0.8038 C.ar 1 UNL1 -0.2443 20 C 5.1061 3.2839 -0.2081 C.ar 1 UNL1 -0.0332 21 C 5.7177 2.2336 0.4467 C.ar 1 UNL1 -0.2895 22 C 5.0604 0.9823 0.5203 C.ar 1 UNL1 0.2767 23 N 5.6596 -0.0832 1.1697 N.ar 1 UNL1 -0.5493 24 O 5.6844 -2.2119 1.8621 O.2 1 UNL1 -0.5163 25 C 5.0473 -1.3675 1.2689 C.ar 1 UNL1 0.6262 26 C 3.7472 -1.5194 0.6617 C.ar 1 UNL1 -0.5124 27 H -5.5338 -0.1105 2.6043 H 1 UNL1 0.1798 28 H -3.2334 -0.6626 1.8804 H 1 UNL1 0.1708 29 H -4.2725 0.3540 -2.2058 H 1 UNL1 0.1974 30 H -6.5826 0.9145 -1.4667 H 1 UNL1 0.1821 31 H -1.3132 -1.3029 1.1454 H 1 UNL1 0.1945 32 H 1.2662 -2.2232 0.3866 H 1 UNL1 0.1461 33 H 2.7342 -2.8495 -1.5947 H 1 UNL1 0.1705 34 H 1.0836 -3.4313 -1.9020 H 1 UNL1 0.1621 35 H 1.6666 -1.9634 -2.6947 H 1 UNL1 0.1833 36 H 2.2105 1.7772 -1.2007 H 1 UNL1 0.1702 37 H 3.3831 3.9685 -1.3161 H 1 UNL1 0.1604 38 H 5.6058 4.2522 -0.2689 H 1 UNL1 0.1490 39 H 6.6952 2.3587 0.9034 H 1 UNL1 0.1651 40 H 6.5735 0.0368 1.5975 H 1 UNL1 0.3260 41 H 3.3097 -2.5075 0.7519 H 1 UNL1 0.1991 @BOND 1 35 14 1 2 29 6 1 3 11 12 ar 4 11 10 ar 5 12 8 ar 6 34 14 1 7 14 33 1 8 14 13 1 9 30 7 1 10 37 19 1 11 36 18 1 12 6 7 ar 13 6 5 ar 14 10 13 1 15 10 9 ar 16 19 18 ar 17 19 20 ar 18 7 2 ar 19 18 17 ar 20 8 5 1 21 8 9 ar 22 13 15 1 23 13 32 1 24 15 16 1 25 38 20 1 26 5 4 ar 27 20 21 ar 28 17 16 ar 29 17 22 ar 30 16 26 ar 31 9 31 1 32 21 22 ar 33 21 39 1 34 22 23 ar 35 2 1 1 36 2 3 ar 37 26 41 1 38 26 25 ar 39 4 3 ar 40 4 28 1 41 23 25 ar 42 23 40 1 43 25 24 2 44 3 27 1