@MOLECULE 71481097 42 44 1 SMALL USER_CHARGES @ATOM 1 F1 -3.5682 -9.5365 -3.9587 F 1 noname -0.1661 2 F2 -3.9336 -10.3755 -1.9154 F 1 noname -0.1661 3 F3 -2.6704 -11.5039 -3.3794 F 1 noname -0.1661 4 F4 1.7919 -11.3682 -1.2179 F 1 noname -0.1661 5 F5 2.2190 -10.5688 -3.2651 F 1 noname -0.1661 6 F6 2.8297 -9.3988 -1.4566 F 1 noname -0.1661 7 O1 -3.5341 -5.5210 -2.5654 O.2 1 noname -0.2904 8 N1 -1.6369 -4.2041 -0.8944 N.3 1 noname 0.0089 9 N2 -1.8169 -5.4811 -0.6943 N.2 1 noname -0.2687 10 N3 0.1778 -5.2208 -1.5361 N.2 1 noname -0.1808 11 N4 -5.5845 -4.8180 -2.2811 N.3 1 noname -0.0357 12 N5 -6.1045 -5.9430 -2.7952 N.3 1 noname -0.0433 13 N6 -8.0337 -6.9483 -3.6775 N.2 1 noname -0.2389 14 N7 -9.6051 -4.8395 -3.2822 N.2 1 noname -0.2377 15 C1 -0.7403 -7.5403 -1.5033 C.2 1 noname 0.0021 16 C2 -1.8209 -9.5631 -2.4305 C.2 1 noname 0.0137 17 C3 0.5814 -9.5506 -1.9849 C.2 1 noname 0.0137 18 C4 0.4850 -8.2330 -1.4905 C.2 1 noname 0.0188 19 C5 -1.9036 -8.2558 -1.9084 C.2 1 noname 0.0188 20 C6 -0.5654 -10.2095 -2.4889 C.2 1 noname 0.0272 21 C7 -0.7633 -6.1379 -1.2022 C.2 1 noname 0.0936 22 C8 -3.0187 -10.2566 -2.9295 C.3 1 noname 0.4161 23 C9 1.8758 -10.2323 -1.9811 C.3 1 noname 0.4161 24 C10 -0.3741 -4.0277 -1.3191 C.2 1 noname 0.0014 25 C11 -2.6176 -3.2767 -0.8955 C.2 1 noname -0.0360 26 C12 -3.8617 -3.5054 -1.3736 C.2 1 noname 0.0459 27 C13 -4.2801 -4.6526 -2.0644 C.2 1 noname 0.0399 28 C14 -7.4533 -5.8375 -3.1206 C.2 1 noname 0.0646 29 C15 -8.2946 -4.7092 -2.9145 C.2 1 noname 0.0282 30 C16 -9.3485 -7.0692 -4.0461 C.2 1 noname 0.0284 31 C17 -10.1783 -5.9536 -3.8337 C.2 1 noname -0.0004 32 H1 1.2940 -7.7465 -1.1312 H 1 noname 0.0636 33 H2 -2.8067 -7.8017 -1.8591 H 1 noname 0.0636 34 H3 -0.4837 -11.1583 -2.9078 H 1 noname 0.0634 35 H4 0.0687 -3.1376 -1.5319 H 1 noname 0.1035 36 H5 -2.4227 -2.3527 -0.6096 H 1 noname 0.0815 37 H6 -4.5315 -2.7570 -1.2747 H 1 noname 0.0689 38 H7 -6.1645 -4.0824 -2.0670 H 1 noname 0.1512 39 H8 -5.9725 -6.7120 -2.1351 H 1 noname 0.1496 40 H9 -7.9566 -3.8322 -2.5069 H 1 noname 0.0873 41 H10 -9.7093 -7.9306 -4.4565 H 1 noname 0.0856 42 H11 -11.1677 -5.9738 -4.0809 H 1 noname 0.0855 @BOND 1 1 22 1 2 2 22 1 3 3 22 1 4 4 23 1 5 5 23 1 6 6 23 1 7 7 27 2 8 8 9 1 9 8 24 1 10 8 25 1 11 9 21 2 12 10 21 1 13 10 24 2 14 11 12 1 15 11 27 1 16 11 38 1 17 12 28 1 18 12 39 1 19 13 28 2 20 13 30 1 21 14 29 2 22 14 31 1 23 15 18 2 24 15 19 1 25 15 21 1 26 16 19 2 27 16 20 1 28 16 22 1 29 17 18 1 30 17 20 2 31 17 23 1 32 18 32 1 33 19 33 1 34 20 34 1 35 24 35 1 36 25 26 2 37 25 36 1 38 26 27 1 39 26 37 1 40 28 29 1 41 29 40 1 42 30 31 2 43 30 41 1 44 31 42 1 @SUBSTRUCTURE 1 noname 1