@MOLECULE 5-[(2s)-3-benzoyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]-2-hydroxybenzoic acid 34 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -5.1584 1.2245 -2.3613 O.2 1 UNL1 -0.3387 2 O 4.3661 2.4425 1.0515 O.2 1 UNL1 -0.3854 3 O -2.3482 2.5141 0.7381 O.3 1 UNL1 -0.2563 4 O 1.7226 -5.0360 0.4366 O.2 1 UNL1 -0.3719 5 O -7.1508 1.6684 -1.2258 O.2 1 UNL1 -0.3193 6 O 1.6182 4.6235 1.2978 O.2 1 UNL1 -0.1083 7 O -5.2100 -1.3284 -0.0850 O.2 1 UNL1 -0.3488 8 O -0.3179 -4.7875 1.0953 O.2 1 UNL1 -0.3801 9 C 4.6909 -0.5758 -2.7827 C.ar 1 UNL1 0.0619 10 C 5.1648 0.6664 -2.6087 C.ar 1 UNL1 0.0223 11 C 3.8249 -1.0146 -1.9539 C.ar 1 UNL1 -0.0773 12 C 4.7168 1.3381 -1.6190 C.ar 1 UNL1 -0.0296 13 C 3.2697 -0.3733 -0.8637 C.ar 1 UNL1 0.0861 14 C -2.9121 -1.8487 0.1965 C.1 1 UNL1 -0.0862 15 C -0.0495 -0.7952 0.8145 C.ar 1 UNL1 -0.2668 16 C 2.2596 -0.9566 -0.0219 C.ar 1 UNL1 0.0173 17 C -1.7618 -2.2409 0.3008 C.2 1 UNL1 -0.0374 18 C -0.3738 -2.0798 0.4571 C.ar 1 UNL1 0.2196 19 C 1.8938 -2.2430 0.0625 C.ar 1 UNL1 0.1299 20 C -3.0029 1.3834 0.5496 C.1 1 UNL1 0.1787 21 C -6.1554 1.4328 -1.7880 C.1 1 UNL1 0.6579 22 C 1.8163 3.5196 1.0614 C.1 1 UNL1 0.5882 23 C 3.4808 1.8931 0.4448 C.ar 1 UNL1 0.5328 24 C -1.0547 2.6303 0.9711 C.3 1 UNL1 0.4844 25 C 2.0673 2.2374 0.7476 C.ar 1 UNL1 -0.5075 26 C -4.0727 -0.9931 0.1193 C.2 1 UNL1 0.5542 27 C 3.7917 0.9709 -0.6681 C.ar 1 UNL1 -0.0861 28 C 1.2633 -0.1502 0.6561 C.ar 1 UNL1 -0.1852 29 C -3.6068 0.3533 0.3204 C.1 1 UNL1 -0.2499 30 C -1.0002 0.2383 1.2179 C.ar 1 UNL1 0.2493 31 C 0.7930 -2.9626 0.3003 C.ar 1 UNL1 -0.1537 32 C 1.0975 1.2084 0.8188 C.ar 1 UNL1 0.3332 33 N -0.3161 1.4484 1.0793 N.ar 1 UNL1 -0.5846 34 N 0.7288 -4.3624 0.6405 N.pl3 1 UNL1 0.6573 @BOND 1 9 10 ar 2 9 11 ar 3 10 12 ar 4 1 21 2 5 11 13 ar 6 21 5 2 7 12 27 ar 8 13 27 ar 9 13 16 ar 10 27 23 ar 11 7 26 1 12 16 19 ar 13 16 28 ar 14 19 31 ar 15 26 14 2 16 26 29 1 17 14 17 2 18 31 18 ar 19 31 34 1 20 17 18 1 21 29 20 3 22 4 34 2 23 23 25 ar 24 23 2 2 25 18 15 ar 26 20 3 1 27 34 8 2 28 28 15 ar 29 28 32 ar 30 3 24 1 31 25 32 ar 32 25 22 2 33 15 30 ar 34 32 33 ar 35 24 33 1 36 22 6 2 37 33 30 ar