@MOLECULE [1-(4-chlorobenzyl)-2-methyl-5-(2-quinolinylmethoxy)-1h-indol-3-yl]acetic acid 54 58 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -7.1321 -3.2178 1.9060 Cl 1 UNL1 -0.0809 2 O 2.4532 -0.6758 -0.6685 O.3 1 UNL1 -0.3518 3 O -0.9687 5.3525 1.5059 O.3 1 UNL1 -0.5908 4 O -1.1998 4.7279 -0.6161 O.2 1 UNL1 -0.4869 5 N -2.8163 0.7330 -1.2671 N.ar 1 UNL1 -0.2931 6 N 5.6445 0.0685 0.7351 N.ar 1 UNL1 -0.4010 7 C -1.5109 0.2242 -1.2088 C.ar 1 UNL1 0.0178 8 C -1.6803 2.0240 0.2201 C.ar 1 UNL1 -0.1922 9 C -2.9242 1.7968 -0.3694 C.ar 1 UNL1 0.1899 10 C -0.7703 1.0453 -0.2995 C.ar 1 UNL1 0.0263 11 C -3.9329 0.0695 -1.9200 C.3 1 UNL1 -0.0794 12 C -1.3417 3.0708 1.1980 C.3 1 UNL1 -0.2978 13 C 0.5886 0.7901 -0.0803 C.ar 1 UNL1 -0.2808 14 C -0.9177 -0.8472 -1.8895 C.ar 1 UNL1 -0.1365 15 C -4.1927 2.5234 -0.1729 C.3 1 UNL1 -0.4549 16 C -4.7366 -0.7682 -0.9543 C.ar 1 UNL1 -0.0524 17 C 1.1505 -0.2726 -0.7641 C.ar 1 UNL1 0.2379 18 C 0.4191 -1.0955 -1.6597 C.ar 1 UNL1 -0.2174 19 C -1.1734 4.4074 0.5385 C.2 1 UNL1 0.6480 20 C -6.1276 -0.6534 -0.9383 C.ar 1 UNL1 -0.1445 21 C -4.0915 -1.6532 -0.0879 C.ar 1 UNL1 -0.1246 22 C 3.3184 0.1273 0.1350 C.3 1 UNL1 -0.0500 23 C -6.8817 -1.4185 -0.0505 C.ar 1 UNL1 -0.1678 24 C -4.8315 -2.4197 0.8085 C.ar 1 UNL1 -0.1629 25 C 4.6884 -0.4907 -0.0035 C.ar 1 UNL1 0.1935 26 C -6.2141 -2.2831 0.8068 C.ar 1 UNL1 0.0258 27 C 4.9203 -1.5890 -0.8785 C.ar 1 UNL1 -0.2212 28 C 6.9187 -0.4182 0.6629 C.ar 1 UNL1 0.1738 29 C 7.2276 -1.5379 -0.2106 C.ar 1 UNL1 -0.1041 30 C 6.1897 -2.1068 -0.9766 C.ar 1 UNL1 -0.0653 31 C 7.9322 0.2264 1.4838 C.ar 1 UNL1 -0.1756 32 C 8.5672 -1.9229 -0.1849 C.ar 1 UNL1 0.0080 33 C 9.1722 -0.3026 1.3605 C.ar 1 UNL1 0.0283 34 C 9.4540 -1.3265 0.5574 C.ar 1 UNL1 -0.0566 35 H -4.5716 0.8450 -2.4127 H 1 UNL1 0.1626 36 H -3.5479 -0.5775 -2.7488 H 1 UNL1 0.1681 37 H -0.4029 2.8149 1.7483 H 1 UNL1 0.1899 38 H -2.1160 3.1451 1.9996 H 1 UNL1 0.1847 39 H 1.1504 1.4209 0.5969 H 1 UNL1 0.1690 40 H -1.4928 -1.4604 -2.5779 H 1 UNL1 0.1558 41 H -5.0438 1.8447 -0.0030 H 1 UNL1 0.1675 42 H -4.1435 3.1982 0.6965 H 1 UNL1 0.1719 43 H -4.4338 3.1533 -1.0468 H 1 UNL1 0.1756 44 H 0.9346 -1.9138 -2.1573 H 1 UNL1 0.1710 45 H -6.6330 0.0321 -1.6177 H 1 UNL1 0.1584 46 H -3.0017 -1.7373 -0.1028 H 1 UNL1 0.1751 47 H 2.9690 0.1025 1.1869 H 1 UNL1 0.1595 48 H 3.3144 1.1726 -0.2387 H 1 UNL1 0.1636 49 H -7.9681 -1.3334 -0.0342 H 1 UNL1 0.1727 50 H -4.3306 -3.1065 1.4917 H 1 UNL1 0.1773 51 H -0.8407 6.2627 1.1522 H 1 UNL1 0.3533 52 H 4.0910 -2.0008 -1.4548 H 1 UNL1 0.1913 53 H 6.4160 -2.9495 -1.6330 H 1 UNL1 0.1729 54 H 7.6616 1.0605 2.1221 H 1 UNL1 0.1987 @BOND 1 36 11 1 2 40 14 1 3 35 11 1 4 44 18 1 5 11 5 1 6 11 16 1 7 14 18 ar 8 14 7 ar 9 18 17 ar 10 53 30 1 11 45 20 1 12 52 27 1 13 5 7 ar 14 5 9 ar 15 7 10 ar 16 43 15 1 17 30 27 ar 18 30 29 ar 19 16 20 ar 20 16 21 ar 21 20 23 ar 22 27 25 ar 23 17 2 1 24 17 13 ar 25 2 22 1 26 4 19 2 27 9 15 1 28 9 8 ar 29 10 13 ar 30 10 8 ar 31 48 22 1 32 29 32 ar 33 29 28 ar 34 32 34 ar 35 15 41 1 36 15 42 1 37 46 21 1 38 21 24 ar 39 13 39 1 40 23 49 1 41 23 26 ar 42 25 22 1 43 25 6 ar 44 22 47 1 45 8 12 1 46 19 12 1 47 19 3 1 48 34 33 ar 49 28 6 ar 50 28 31 ar 51 26 24 ar 52 26 1 1 53 24 50 1 54 51 3 1 55 12 37 1 56 12 38 1 57 33 31 ar 58 31 54 1