@MOLECULE 4-{2-[(2,2,2-trifluoroethyl)amino]ethyl}-1,2-benzenediol 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 F -5.2753 -0.2478 1.1900 F 1 UNL1111111111 -0.2136 2 F -4.7691 1.0115 -0.4191 F 1 UNL1111111111 -0.2122 3 F -4.6342 -1.0810 -0.6352 F 1 UNL1111111111 -0.1820 4 O 4.4768 -2.0203 0.0648 O.3 1 UNL1111111111 -0.4476 5 O 5.6943 0.3314 0.7408 O.3 1 UNL1111111111 -0.4896 6 N -1.9801 0.0873 -0.3631 N.3 1 UNL1111111111 -0.5210 7 C 0.3612 0.2603 -1.0799 C.3 1 UNL1111111111 -0.2935 8 C -0.5824 0.1310 0.1329 C.3 1 UNL1111111111 -0.0969 9 C 1.7793 0.2975 -0.6048 C.ar 1 UNL1111111111 0.0134 10 C -2.9336 -0.0391 0.7556 C.3 1 UNL1111111111 -0.1792 11 C 2.5047 -0.8911 -0.4800 C.ar 1 UNL1111111111 -0.2250 12 C 2.3680 1.5209 -0.2858 C.ar 1 UNL1111111111 -0.1836 13 C 3.8194 -0.8392 -0.0290 C.ar 1 UNL1111111111 0.2179 14 C -4.3760 -0.0935 0.2143 C.3 1 UNL1111111111 0.5330 15 C 3.6866 1.5781 0.1690 C.ar 1 UNL1111111111 -0.2157 16 C 4.4055 0.3986 0.2982 C.ar 1 UNL1111111111 0.1259 17 H 0.1171 1.1695 -1.6656 H 1 UNL1111111111 0.1511 18 H 0.1880 -0.5875 -1.7769 H 1 UNL1111111111 0.1732 19 H -0.4038 0.9636 0.8475 H 1 UNL1111111111 0.1180 20 H -0.3630 -0.8171 0.6736 H 1 UNL1111111111 0.1521 21 H -2.1840 0.9106 -0.9347 H 1 UNL1111111111 0.2638 22 H -2.7141 -0.9972 1.2963 H 1 UNL1111111111 0.1839 23 H -2.8502 0.7790 1.5111 H 1 UNL1111111111 0.1506 24 H 2.0623 -1.8532 -0.7315 H 1 UNL1111111111 0.1820 25 H 1.7999 2.4427 -0.3902 H 1 UNL1111111111 0.1563 26 H 4.1411 2.5329 0.4154 H 1 UNL1111111111 0.1594 27 H 5.4144 -1.8841 0.3652 H 1 UNL1111111111 0.3417 28 H 6.0621 1.2287 0.9288 H 1 UNL1111111111 0.3377 @BOND 1 1 14 1 2 2 14 1 3 3 14 1 4 4 13 1 5 4 27 1 6 5 16 1 7 5 28 1 8 6 8 1 9 6 10 1 10 6 21 1 11 7 8 1 12 7 9 1 13 7 17 1 14 7 18 1 15 8 19 1 16 8 20 1 17 9 11 ar 18 9 12 ar 19 10 14 1 20 10 22 1 21 10 23 1 22 11 13 ar 23 11 24 1 24 12 15 ar 25 12 25 1 26 13 16 ar 27 15 16 ar 28 15 26 1