@MOLECULE 59679431 45 48 1 SMALL USER_CHARGES @ATOM 1 F1 0.9383 9.7506 -5.6441 F 1 noname -0.1661 2 F2 -0.9707 8.5885 -5.7765 F 1 noname -0.1661 3 F3 -0.5396 9.8305 -3.9644 F 1 noname -0.1661 4 O1 7.1849 6.5676 -5.9243 O.3 1 noname -0.2010 5 O2 4.7819 5.3707 -6.0842 O.2 1 noname -0.2934 6 O3 8.4951 8.5815 -5.9781 O.2 1 noname -0.2572 7 N1 2.5371 4.9219 -5.2446 N.3 1 noname 0.0087 8 N2 2.2738 3.2182 -3.6224 N.2 1 noname -0.2489 9 C1 7.4287 5.2067 -6.3697 C.3 1 noname 0.1006 10 C2 8.8693 5.0874 -6.5481 C.2 1 noname 0.0123 11 C3 6.8173 4.2596 -5.3509 C.3 1 noname 0.0422 12 C4 9.4116 6.3789 -6.4117 C.2 1 noname 0.0097 13 C5 5.2954 4.5050 -5.3430 C.2 1 noname 0.1073 14 C6 8.3740 7.3423 -6.0886 C.2 1 noname 0.0926 15 C7 9.6544 3.9602 -6.9358 C.2 1 noname -0.0295 16 C8 10.7768 6.6452 -6.6649 C.2 1 noname -0.0025 17 C9 4.4672 3.6984 -4.4455 C.2 1 noname 0.0092 18 C10 11.0328 4.2177 -7.1833 C.2 1 noname -0.0322 19 C11 11.5852 5.5334 -7.0543 C.2 1 noname -0.0417 20 C12 3.0602 3.9727 -4.4565 C.2 1 noname 0.0635 21 C13 4.9505 2.6674 -3.5739 C.2 1 noname -0.0042 22 C14 1.9242 5.8426 -4.4882 C.2 1 noname -0.0219 23 C15 4.1190 1.8953 -2.7158 C.2 1 noname -0.0423 24 C16 1.3025 6.9321 -5.0870 C.2 1 noname -0.0239 25 C17 0.6667 7.8873 -4.3025 C.2 1 noname -0.0115 26 C18 1.9100 5.7083 -3.1048 C.2 1 noname -0.0552 27 C19 2.7447 2.2294 -2.7885 C.2 1 noname 0.0103 28 C20 0.6525 7.7529 -2.9191 C.2 1 noname -0.0485 29 C21 1.2742 6.6634 -2.3202 C.2 1 noname -0.0534 30 C22 0.0137 9.0316 -4.9315 C.3 1 noname 0.4161 31 H1 6.9518 5.0134 -7.3384 H 1 noname 0.0666 32 H2 7.0178 3.2297 -5.6461 H 1 noname 0.0381 33 H3 7.2250 4.3767 -4.3468 H 1 noname 0.0381 34 H4 9.2527 3.0274 -7.0299 H 1 noname 0.0626 35 H5 11.1652 7.5839 -6.5741 H 1 noname 0.0631 36 H6 11.6415 3.4471 -7.4591 H 1 noname 0.0622 37 H7 12.5766 5.6794 -7.2444 H 1 noname 0.0622 38 H8 5.9524 2.4758 -3.5687 H 1 noname 0.0631 39 H9 1.8943 4.5210 -5.8504 H 1 noname 0.1357 40 H10 4.4808 1.1652 -2.1022 H 1 noname 0.0639 41 H11 1.3129 7.0307 -6.1022 H 1 noname 0.0645 42 H12 2.3662 4.9088 -2.6653 H 1 noname 0.0639 43 H13 2.0819 1.7205 -2.2036 H 1 noname 0.0839 44 H14 0.1859 8.4538 -2.3433 H 1 noname 0.0628 45 H15 1.2638 6.5648 -1.3050 H 1 noname 0.0623 @BOND 1 1 30 1 2 2 30 1 3 3 30 1 4 4 9 1 5 4 14 1 6 5 13 2 7 6 14 2 8 7 20 1 9 7 22 1 10 7 39 1 11 8 20 1 12 8 27 2 13 9 10 1 14 9 11 1 15 9 31 1 16 10 12 1 17 10 15 2 18 11 13 1 19 11 32 1 20 11 33 1 21 12 14 1 22 12 16 2 23 13 17 1 24 15 18 1 25 15 34 1 26 16 19 1 27 16 35 1 28 17 20 2 29 17 21 1 30 18 19 2 31 18 36 1 32 19 37 1 33 21 23 2 34 21 38 1 35 22 24 1 36 22 26 2 37 23 27 1 38 23 40 1 39 24 25 2 40 24 41 1 41 25 28 1 42 25 30 1 43 26 29 1 44 26 42 1 45 27 43 1 46 28 29 2 47 28 44 1 48 29 45 1 @SUBSTRUCTURE 1 noname 1