@MOLECULE n-(4-azido-2,3,5,6-tetrafluorobenzyl)-6-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)hexanamide 44 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -3.2418 -2.0202 1.8036 F 1 UNL1 -0.1262 2 F -1.7098 0.2794 -1.9954 F 1 UNL1 -0.0923 3 F 0.4701 -1.2357 -2.0395 F 1 UNL1 -0.1105 4 F -1.0655 -3.5257 1.7898 F 1 UNL1 -0.0950 5 O -3.2786 2.3403 -1.4426 O.2 1 UNL1 -0.5211 6 O 4.5382 3.0492 0.4207 O.2 1 UNL1 -0.4023 7 O 1.9440 -0.6870 -0.0581 O.2 1 UNL1 -0.4933 8 N 2.9700 1.3916 -0.0105 N.am 1 UNL1 -0.5706 9 N -3.5926 1.2912 0.5350 N.am 1 UNL1 -0.6040 10 N 0.8291 -3.3909 -0.1234 N.2 1 UNL1 -0.3844 11 N 1.9363 -3.1928 -0.6744 N.2 1 UNL1 0.4716 12 N 2.9968 -3.2513 -1.0669 N.2 1 UNL1 -0.1687 13 C -0.3523 3.2439 0.0827 C.3 1 UNL1 -0.2752 14 C 0.8346 2.4503 0.6322 C.3 1 UNL1 -0.3036 15 C -1.4297 3.4258 1.1619 C.3 1 UNL1 -0.2506 16 C 1.8636 2.2157 -0.4875 C.3 1 UNL1 -0.0386 17 C -2.8133 3.6270 0.5346 C.3 1 UNL1 -0.3710 18 C -3.2277 2.3897 -0.2326 C.2 1 UNL1 0.5930 19 C 4.2229 1.8960 0.4414 C.2 1 UNL1 0.5648 20 C 2.8992 -0.0011 0.1909 C.2 1 UNL1 0.5974 21 C -3.8303 0.0065 -0.1249 C.3 1 UNL1 -0.0395 22 C -2.5828 -0.8353 -0.1184 C.ar 1 UNL1 -0.1491 23 C 5.0007 0.6843 0.9066 C.2 1 UNL1 -0.1879 24 C 4.2408 -0.4085 0.7600 C.2 1 UNL1 -0.1938 25 C -2.3560 -1.8214 0.8446 C.ar 1 UNL1 0.1418 26 C -1.5812 -0.6546 -1.0751 C.ar 1 UNL1 0.1595 27 C -0.4306 -1.4483 -1.0985 C.ar 1 UNL1 0.0373 28 C -1.2090 -2.6173 0.8452 C.ar 1 UNL1 0.0684 29 C -0.2182 -2.4621 -0.1473 C.ar 1 UNL1 0.1447 30 H -0.0217 4.2307 -0.2929 H 1 UNL1 0.1454 31 H -0.7754 2.7234 -0.8025 H 1 UNL1 0.1641 32 H 1.3024 2.9857 1.4790 H 1 UNL1 0.1487 33 H 0.4933 1.4759 1.0339 H 1 UNL1 0.1508 34 H -1.4430 2.5545 1.8440 H 1 UNL1 0.1377 35 H -1.1779 4.2954 1.8001 H 1 UNL1 0.1452 36 H 1.3829 1.7023 -1.3555 H 1 UNL1 0.1617 37 H 2.2722 3.1860 -0.8571 H 1 UNL1 0.1612 38 H -3.5641 3.8873 1.3038 H 1 UNL1 0.1605 39 H -2.7945 4.4892 -0.1679 H 1 UNL1 0.1817 40 H -4.1809 0.1861 -1.1775 H 1 UNL1 0.1904 41 H -4.6822 -0.5067 0.3811 H 1 UNL1 0.1571 42 H -3.4386 1.2683 1.5279 H 1 UNL1 0.3092 43 H 6.0056 0.7927 1.2751 H 1 UNL1 0.1912 44 H 4.4545 -1.4419 0.9711 H 1 UNL1 0.1940 @BOND 1 3 27 1 2 2 26 1 3 5 18 2 4 36 16 1 5 40 21 1 6 27 26 ar 7 27 29 ar 8 26 22 ar 9 12 11 2 10 37 16 1 11 31 13 1 12 11 10 2 13 16 8 1 14 16 14 1 15 30 13 1 16 18 17 1 17 18 9 am 18 39 17 1 19 29 10 1 20 29 28 ar 21 21 22 1 22 21 41 1 23 21 9 1 24 22 25 ar 25 7 20 2 26 8 20 am 27 8 19 am 28 13 14 1 29 13 15 1 30 20 24 1 31 6 19 2 32 19 23 1 33 17 15 1 34 17 38 1 35 9 42 1 36 14 33 1 37 14 32 1 38 24 23 2 39 24 44 1 40 25 28 ar 41 25 1 1 42 28 4 1 43 23 43 1 44 15 35 1 45 15 34 1