@MOLECULE [1-(4-azidobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]acetic acid 43 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.7320 4.1932 -0.3944 O.3 1 UNL1 -0.3161 2 O 0.6160 -3.0368 -1.2822 O.2 1 UNL1 -0.4487 3 O -5.8652 -0.7451 1.3364 O.3 1 UNL1 -0.5845 4 O -3.8912 -1.4640 2.0649 O.2 1 UNL1 -0.4906 5 N -0.5075 -1.1707 -0.6765 N.ar 1 UNL1 -0.4043 6 N 5.5106 0.1683 1.2739 N.2 1 UNL1 -0.4353 7 N 6.3279 0.8827 0.6599 N.2 1 UNL1 0.4319 8 N 7.1660 1.5728 0.3281 N.2 1 UNL1 -0.1779 9 C -2.7363 -0.7137 -0.4546 C.ar 1 UNL1 -0.1874 10 C -2.0247 0.5414 -0.4699 C.ar 1 UNL1 0.0387 11 C -0.6376 0.2421 -0.6210 C.ar 1 UNL1 0.0374 12 C -1.8094 -1.7295 -0.5950 C.ar 1 UNL1 0.2421 13 C -4.1947 -0.8505 -0.2950 C.3 1 UNL1 -0.3020 14 C -2.4589 1.8626 -0.3819 C.ar 1 UNL1 -0.2939 15 C 0.3135 1.2586 -0.7363 C.ar 1 UNL1 -0.1250 16 C -2.0287 -3.1848 -0.6334 C.3 1 UNL1 -0.4546 17 C 0.6770 -1.9311 -0.8001 C.2 1 UNL1 0.5989 18 C -1.4921 2.8554 -0.4648 C.ar 1 UNL1 0.2430 19 C -0.1189 2.5692 -0.6491 C.ar 1 UNL1 -0.2280 20 C 1.9364 -1.3446 -0.2863 C.ar 1 UNL1 -0.1687 21 C -4.5523 -1.0664 1.1465 C.2 1 UNL1 0.6495 22 C 1.9755 -0.7441 0.9751 C.ar 1 UNL1 -0.0625 23 C 3.0955 -1.4753 -1.0523 C.ar 1 UNL1 -0.0470 24 C 3.1706 -0.2301 1.4591 C.ar 1 UNL1 -0.1772 25 C 4.2978 -0.9530 -0.5845 C.ar 1 UNL1 -0.2397 26 C 4.3271 -0.3263 0.6679 C.ar 1 UNL1 0.1997 27 C -3.0734 4.5955 -0.1528 C.3 1 UNL1 -0.2014 28 H -4.5998 -1.6932 -0.9038 H 1 UNL1 0.1851 29 H -4.7268 0.0509 -0.6874 H 1 UNL1 0.1908 30 H -3.5115 2.0823 -0.2550 H 1 UNL1 0.1690 31 H 1.3658 1.0356 -0.8974 H 1 UNL1 0.1655 32 H -3.0658 -3.4542 -0.3855 H 1 UNL1 0.1662 33 H -1.7947 -3.6052 -1.6291 H 1 UNL1 0.1868 34 H -1.3804 -3.7250 0.0801 H 1 UNL1 0.1844 35 H 0.5831 3.3974 -0.7230 H 1 UNL1 0.1742 36 H 1.0637 -0.6650 1.5762 H 1 UNL1 0.1796 37 H 3.0576 -1.9941 -2.0144 H 1 UNL1 0.1742 38 H 3.2193 0.2472 2.4395 H 1 UNL1 0.1849 39 H 5.2032 -1.0515 -1.1784 H 1 UNL1 0.1677 40 H -3.4398 4.1932 0.7971 H 1 UNL1 0.1368 41 H -3.7209 4.3091 -0.9871 H 1 UNL1 0.1340 42 H -2.9809 5.6885 -0.0958 H 1 UNL1 0.1507 43 H -6.1713 -0.8590 2.2666 H 1 UNL1 0.3539 @BOND 1 37 23 1 2 33 16 1 3 2 17 2 4 39 25 1 5 23 25 ar 6 23 20 ar 7 41 27 1 8 28 13 1 9 31 15 1 10 17 5 am 11 17 20 1 12 15 19 ar 13 15 11 ar 14 35 19 1 15 29 13 1 16 5 11 ar 17 5 12 ar 18 19 18 ar 19 16 12 1 20 16 32 1 21 16 34 1 22 11 10 ar 23 12 9 ar 24 25 26 ar 25 10 9 ar 26 10 14 ar 27 18 1 1 28 18 14 ar 29 9 13 1 30 1 27 1 31 14 30 1 32 13 21 1 33 20 22 ar 34 27 42 1 35 27 40 1 36 8 7 2 37 7 6 2 38 26 6 1 39 26 24 ar 40 22 24 ar 41 22 36 1 42 21 3 1 43 21 4 2 44 3 43 1 45 24 38 1