@MOLECULE ({4-phenyl-1-[4-(2-quinolinylmethoxy)phenyl]butyl}sulfanyl)acetate 33 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -8.6914 -4.1635 0.8133 C.ar 1 UNL1 0.0412 2 C -8.1795 -4.0261 -0.4145 C.ar 1 UNL1 -0.0286 3 C -7.2095 -3.1716 -0.6750 C.ar 1 UNL1 0.0037 4 C -6.6009 -2.3193 0.2741 C.ar 1 UNL1 0.0235 5 C -7.2038 -2.5323 1.5346 C.ar 1 UNL1 0.0124 6 C -8.1748 -3.3917 1.7758 C.ar 1 UNL1 -0.0261 7 C -5.5902 -1.4373 0.0162 C.1 1 UNL1 0.0187 8 C -4.6592 -0.6337 -0.2174 C.1 1 UNL1 -0.0571 9 C -3.6872 0.1958 -0.4527 C.3 1 UNL1 0.0367 10 C -2.7219 1.0514 -0.6876 C.3 1 UNL1 -0.2430 11 C -1.3274 0.7552 -0.6480 C.ar 1 UNL1 0.0185 12 C -0.2438 1.6223 -0.8141 C.ar 1 UNL1 -0.0254 13 C 1.0291 1.3678 -0.7805 C.ar 1 UNL1 -0.0653 14 C 1.6298 0.1322 -0.5679 C.ar 1 UNL1 0.2583 15 C 0.5787 -0.7558 -0.3982 C.ar 1 UNL1 -0.0784 16 C -0.6992 -0.4695 -0.4345 C.ar 1 UNL1 0.0056 17 O 2.9770 -0.0478 -0.5702 O.3 1 UNL1 -0.2996 18 C 3.4091 -1.2527 -0.2100 C.3 1 UNL1 0.4134 19 C 4.9067 -1.2374 -0.3038 C.ar 1 UNL1 0.0061 20 C 5.6507 -1.9371 -1.2377 C.ar 1 UNL1 -0.0873 21 C 6.9306 -2.0431 -1.2534 C.ar 1 UNL1 0.0233 22 C 7.8073 -1.4991 -0.3576 C.ar 1 UNL1 -0.0360 23 C 9.1653 -1.4380 -0.1185 C.ar 1 UNL1 -0.0084 24 C 9.8452 -0.8482 0.8225 C.ar 1 UNL1 0.0287 25 C 9.1166 -0.1547 1.7588 C.ar 1 UNL1 0.0215 26 C 7.8391 -0.1465 1.6174 C.ar 1 UNL1 -0.0254 27 C 6.9828 -0.7258 0.6827 C.ar 1 UNL1 0.1441 28 N 5.6362 -0.6310 0.6560 N.ar 1 UNL1 -0.3115 29 S -3.2075 2.7216 -1.1450 S.3 1 UNL1 0.7535 30 C -2.8881 3.7854 -0.2373 C.3 1 UNL1 -0.5092 31 C -2.6234 4.7990 0.7113 C.2 1 UNL1 0.5561 32 O -3.3742 5.1936 1.5815 O.co2 1 UNL1 -0.4620 33 O -1.4058 5.3234 0.5602 O.co2 1 UNL1 -0.1020 @BOND 1 21 20 ar 2 21 22 ar 3 20 19 ar 4 29 10 1 5 29 30 1 6 12 13 ar 7 12 11 ar 8 13 14 ar 9 10 11 1 10 10 9 1 11 3 2 ar 12 3 4 ar 13 11 16 ar 14 17 14 1 15 17 18 1 16 14 15 ar 17 9 8 1 18 16 15 ar 19 2 1 ar 20 22 23 ar 21 22 27 ar 22 19 18 1 23 19 28 ar 24 30 31 1 25 8 7 3 26 23 24 ar 27 7 4 1 28 4 5 ar 29 33 31 ar 30 28 27 ar 31 27 26 ar 32 31 32 ar 33 1 6 ar 34 24 25 ar 35 5 6 ar 36 26 25 ar