@MOLECULE 1-(2-nitro-1h-imidazol-1-yl)-3-(2,2,2-trifluoroethoxy)-2-propanol 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 F -3.7339 1.1510 -0.2690 F 1 UNL11111 -0.2097 2 F -5.3147 -0.2286 -0.0298 F 1 UNL11111 -0.2081 3 F -3.8600 -0.5287 -1.5343 F 1 UNL11111 -0.1899 4 O -1.8082 -0.7066 0.3701 O.3 1 UNL11111 -0.3426 5 O -0.0443 1.8891 -0.0935 O.3 1 UNL11111 -0.5690 6 O 3.6646 -2.4418 -0.6183 O.2 1 UNL11111 -0.2966 7 O 2.0174 -1.9219 0.6710 O.2 1 UNL11111 -0.4647 8 N 2.5610 0.7989 0.4530 N.ar 1 UNL11111 -0.1683 9 N 4.2679 0.2768 -0.9419 N.ar 1 UNL11111 -0.2663 10 N 2.9767 -1.6315 -0.0396 N.pl3 1 UNL11111 0.6520 11 C 0.1152 0.5795 0.4092 C.3 1 UNL11111 0.1282 12 C 1.3796 0.6840 1.2930 C.3 1 UNL11111 -0.1277 13 C -1.1212 0.1947 1.2372 C.3 1 UNL11111 -0.1117 14 C 3.2680 -0.2322 -0.1800 C.ar 1 UNL11111 0.0452 15 C 3.1316 1.9827 0.0411 C.ar 1 UNL11111 -0.0788 16 C -3.1413 -0.9630 0.7195 C.3 1 UNL11111 -0.1088 17 C 4.1977 1.6380 -0.8175 C.ar 1 UNL11111 -0.0841 18 C -4.0064 -0.1520 -0.2683 C.3 1 UNL11111 0.5073 19 H 0.2621 -0.1340 -0.4393 H 1 UNL11111 0.1652 20 H 1.4690 -0.2108 1.9596 H 1 UNL11111 0.1919 21 H 1.3022 1.5850 1.9503 H 1 UNL11111 0.1760 22 H -0.8722 -0.3491 2.1646 H 1 UNL11111 0.1393 23 H -1.7300 1.0821 1.4816 H 1 UNL11111 0.1515 24 H 2.7688 2.9473 0.3434 H 1 UNL11111 0.1935 25 H -3.3880 -0.7343 1.7707 H 1 UNL11111 0.1579 26 H -3.2631 -2.0577 0.5536 H 1 UNL11111 0.1834 27 H -0.7321 1.9162 -0.7933 H 1 UNL11111 0.3410 28 H 4.8859 2.2862 -1.3302 H 1 UNL11111 0.1939 @BOND 1 1 18 1 2 2 18 1 3 3 18 1 4 4 13 1 5 4 16 1 6 5 11 1 7 5 27 1 8 6 10 2 9 7 10 2 10 8 12 1 11 8 14 ar 12 8 15 ar 13 9 14 ar 14 9 17 ar 15 10 14 1 16 11 12 1 17 11 13 1 18 11 19 1 19 12 20 1 20 12 21 1 21 13 22 1 22 13 23 1 23 15 17 ar 24 15 24 1 25 16 18 1 26 16 25 1 27 16 26 1 28 17 28 1