@MOLECULE n-(4-nitrophenyl)-5-oxo-l-prolinamide 29 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.9769 0.5424 -0.7096 C.3 1 UNL1 0.0006 2 C 1.2722 -0.8481 -0.0844 C.ar 1 UNL1 -0.2490 3 C 1.7462 1.5366 -0.2950 C.ar 1 UNL1 -0.2901 4 C 2.6270 -1.0941 0.0872 C.ar 1 UNL1 -0.0235 5 C 3.0971 1.2868 -0.1215 C.ar 1 UNL1 -0.0245 6 H -0.7387 1.7969 -0.5404 H 1 UNL1 0.3146 7 H -3.8639 -1.3296 -1.2882 H 1 UNL1 0.3383 8 C 0.8226 0.4678 -0.2772 C.ar 1 UNL1 0.2812 9 C 3.5339 -0.0291 0.0698 C.ar 1 UNL1 -0.1461 10 O -1.4389 -1.2976 -0.4483 O.2 1 UNL1 -0.4524 11 O -5.7498 -1.2342 0.5227 O.2 1 UNL1 -0.4834 12 O 5.7090 0.6656 0.2913 O.2 1 UNL1 -0.4102 13 C -3.3566 1.4688 0.4818 C.3 1 UNL1 -0.2802 14 C -4.6126 0.8493 1.1143 C.3 1 UNL1 -0.3559 15 C -1.5941 -0.1058 -0.5135 C.2 1 UNL1 0.5315 16 C -4.8940 -0.4120 0.3216 C.2 1 UNL1 0.5962 17 N -0.5325 0.8047 -0.4516 N.am 1 UNL1 -0.5776 18 O 5.3133 -1.4481 0.3665 O.2 1 UNL1 -0.4010 19 N 4.9477 -0.2889 0.2547 N.pl3 1 UNL1 0.6374 20 N -4.0081 -0.4893 -0.7524 N.am 1 UNL1 -0.5935 21 H -2.9799 1.1046 -1.6811 H 1 UNL1 0.1661 22 H -2.5417 1.5435 1.2221 H 1 UNL1 0.1561 23 H -3.5535 2.4954 0.1293 H 1 UNL1 0.1544 24 H 0.5713 -1.6885 -0.0660 H 1 UNL1 0.2102 25 H 1.4047 2.5579 -0.4460 H 1 UNL1 0.1649 26 H 2.9873 -2.1200 0.2373 H 1 UNL1 0.1901 27 H 3.8224 2.1090 -0.1330 H 1 UNL1 0.1854 28 H -4.4698 0.6007 2.1831 H 1 UNL1 0.1814 29 H -5.4849 1.5280 1.0770 H 1 UNL1 0.1793 @BOND 1 21 1 1 2 7 20 1 3 20 1 1 4 20 16 am 5 1 15 1 6 1 13 1 7 6 17 1 8 15 17 am 9 15 10 2 10 17 8 1 11 25 3 1 12 3 8 ar 13 3 5 ar 14 8 2 ar 15 27 5 1 16 5 9 ar 17 2 24 1 18 2 4 ar 19 9 4 ar 20 9 19 1 21 4 26 1 22 23 13 1 23 19 12 2 24 19 18 2 25 16 11 2 26 16 14 1 27 13 14 1 28 13 22 1 29 29 14 1 30 14 28 1