@MOLECULE 69991731 42 43 1 SMALL USER_CHARGES @ATOM 1 F1 4.1273 -0.2855 -0.9379 F 1 noname -0.1605 2 F2 1.9485 2.5860 -1.9225 F 1 noname -0.1660 3 F3 2.4624 2.8450 0.2411 F 1 noname -0.1660 4 F4 3.9428 1.9151 -1.1575 F 1 noname -0.1660 5 O1 -1.1191 -0.7971 0.3693 O.3 1 noname -0.2665 6 O2 -1.4813 1.3371 -1.2665 O.2 1 noname -0.2863 7 N1 -1.7885 0.0388 -3.0701 N.3 1 noname -0.0676 8 C1 -1.8837 -0.9966 -0.8106 C.3 1 noname 0.1371 9 C2 -3.2940 -1.1341 -0.4591 C.3 1 noname -0.0204 10 C3 -1.7051 0.2033 -1.7429 C.2 1 noname 0.0533 11 C4 -1.6239 1.1445 -3.9294 C.3 1 noname 0.0279 12 C5 -3.4727 -2.3340 0.4732 C.3 1 noname -0.0624 13 C6 0.1850 -0.6699 0.0444 C.2 1 noname 0.0067 14 C7 -1.7589 0.7078 -5.3160 C.2 1 noname -0.0486 15 C8 0.7133 0.5858 -0.2314 C.2 1 noname 0.0219 16 C9 2.0560 0.7168 -0.5660 C.2 1 noname 0.0499 17 C10 0.9995 -1.7948 -0.0144 C.2 1 noname -0.0094 18 C11 2.8705 -0.4080 -0.6248 C.2 1 noname 0.0446 19 C12 2.3422 -1.6638 -0.3490 C.2 1 noname 0.0107 20 C13 -1.6347 1.6285 -6.3499 C.2 1 noname -0.0531 21 C14 -2.0115 -0.6288 -5.6021 C.2 1 noname -0.0531 22 C15 2.6109 2.0358 -0.8556 C.3 1 noname 0.4190 23 C16 -1.7632 1.2127 -7.6700 C.2 1 noname -0.0594 24 C17 -2.1400 -1.0446 -6.9223 C.2 1 noname -0.0594 25 C18 -2.0159 -0.1239 -7.9562 C.2 1 noname -0.0613 26 H1 -1.5448 -1.9018 -1.3144 H 1 noname 0.0706 27 H2 -3.8809 -1.2872 -1.3648 H 1 noname 0.0295 28 H3 -3.6329 -0.2289 0.0447 H 1 noname 0.0295 29 H4 -2.3851 1.8928 -3.7084 H 1 noname 0.0483 30 H5 -0.6348 1.5772 -3.7794 H 1 noname 0.0483 31 H6 -1.9622 -0.8411 -3.4398 H 1 noname 0.1314 32 H7 -4.5256 -2.4367 0.7356 H 1 noname 0.0231 33 H8 -3.1338 -3.2392 -0.0306 H 1 noname 0.0231 34 H9 -2.8858 -2.1809 1.3789 H 1 noname 0.0231 35 H10 0.1156 1.4113 -0.1882 H 1 noname 0.0657 36 H11 0.6118 -2.7163 0.1879 H 1 noname 0.0651 37 H12 2.9399 -2.4892 -0.3922 H 1 noname 0.0654 38 H13 -1.4494 2.6093 -6.1398 H 1 noname 0.0626 39 H14 -2.1026 -1.3044 -4.8435 H 1 noname 0.0626 40 H15 -1.6721 1.8883 -8.4287 H 1 noname 0.0622 41 H16 -2.3254 -2.0254 -7.1323 H 1 noname 0.0622 42 H17 -2.1102 -0.4290 -8.9249 H 1 noname 0.0622 @BOND 1 1 18 1 2 2 22 1 3 3 22 1 4 4 22 1 5 8 5 1 6 5 13 1 7 6 10 2 8 7 10 1 9 7 11 1 10 7 31 1 11 8 9 1 12 8 10 1 13 8 26 1 14 9 12 1 15 9 27 1 16 9 28 1 17 11 14 1 18 11 29 1 19 11 30 1 20 12 32 1 21 12 33 1 22 12 34 1 23 13 15 2 24 13 17 1 25 14 20 2 26 14 21 1 27 15 16 1 28 15 35 1 29 16 18 2 30 16 22 1 31 17 19 2 32 17 36 1 33 18 19 1 34 19 37 1 35 20 23 1 36 20 38 1 37 21 24 2 38 21 39 1 39 23 25 2 40 23 40 1 41 24 25 1 42 24 41 1 43 25 42 1 @SUBSTRUCTURE 1 noname 1