@MOLECULE 4-[3-(trifluoromethyl)-3-diaziridinyl]-l-phenylalanine 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 F -4.9558 0.0574 -0.2840 F 1 UNL1111111111 0.0410 2 C -3.6729 -0.2549 -0.4421 C.3 1 UNL1111111111 -0.3911 3 F -3.6437 -1.5811 -0.5216 F 1 UNL1111111111 0.0673 4 F -3.3708 0.1771 -1.6645 F 1 UNL1111111111 0.0254 5 C -2.7240 0.3091 0.6278 C.3 1 UNL1111111111 0.3729 6 N -3.2202 0.1989 2.0212 N.3 1 UNL1111111111 -0.4274 7 N -3.0758 1.5068 1.4253 N.3 1 UNL1111111111 -0.5628 8 C -1.2975 0.1209 0.2693 C.ar 1 UNL1111111111 0.0086 9 C -0.5729 1.1806 -0.2784 C.ar 1 UNL1111111111 -0.2265 10 C 0.7625 0.9974 -0.6210 C.ar 1 UNL1111111111 -0.2950 11 C 1.3754 -0.2411 -0.4167 C.ar 1 UNL1111111111 0.2543 12 C 0.6469 -1.2965 0.1372 C.ar 1 UNL1111111111 -0.2909 13 C -0.6892 -1.1168 0.4823 C.ar 1 UNL1111111111 -0.2069 14 C 2.8147 -0.4350 -0.7881 C.3 1 UNL1111111111 -0.7196 15 CA 3.7232 0.4220 0.1225 C.3 1 UNL1111111111 0.5119 16 N 3.8306 1.7880 -0.3996 N.3 1 UNL1111111111 -1.0212 17 C 5.0977 -0.2379 0.2075 C.2 1 UNL1111111111 0.0966 18 O 6.1362 0.1855 -0.2241 O.2 1 UNL1111111111 -0.3459 19 OXT 5.0304 -1.4133 0.8737 O.3 1 UNL1111111111 -0.4298 20 H -2.5071 0.0316 2.7390 H 1 UNL1111111111 0.3899 21 H -3.9860 1.9441 1.2478 H 1 UNL1111111111 0.4280 22 H -1.0502 2.1501 -0.4271 H 1 UNL1111111111 0.2077 23 H 1.3436 1.8267 -1.0339 H 1 UNL1111111111 0.2274 24 H 1.1209 -2.2628 0.3029 H 1 UNL1111111111 0.2348 25 H -1.2533 -1.9427 0.9154 H 1 UNL1111111111 0.2230 26 H 3.1024 -1.5059 -0.7107 H 1 UNL1111111111 0.2738 27 H 2.9698 -0.1647 -1.8552 H 1 UNL1111111111 0.2598 28 HA 3.2793 0.4656 1.1578 H 1 UNL1111111111 0.1471 29 H1 4.3062 2.4082 0.2390 H 1 UNL1111111111 0.3728 30 H2 4.2959 1.8245 -1.2959 H 1 UNL1111111111 0.3925 31 HXT 5.9020 -1.8750 0.9639 H 1 UNL1111111111 0.3822 @BOND 1 1 2 1 2 2 5 1 3 2 3 1 4 2 4 1 5 5 6 1 6 5 7 1 7 5 8 1 8 6 7 1 9 6 20 1 10 7 21 1 11 8 9 ar 12 8 13 ar 13 9 10 ar 14 9 22 1 15 10 11 ar 16 10 23 1 17 11 12 ar 18 11 14 1 19 12 13 ar 20 12 24 1 21 13 25 1 22 14 15 1 23 14 26 1 24 14 27 1 25 15 16 1 26 15 17 1 27 15 28 1 28 16 29 1 29 16 30 1 30 17 18 2 31 17 19 1 32 19 31 1