@MOLECULE 76967283 56 55 1 SMALL USER_CHARGES @ATOM 1 P1 -0.0631 0.1149 0.2862 P 1 noname 0.0188 2 F1 -0.6760 6.2678 -1.7294 F 1 noname -0.1925 3 F2 -2.1383 5.2667 -3.0975 F 1 noname -0.1925 4 F3 2.6074 -4.9441 -2.8077 F 1 noname -0.1925 5 F4 3.9088 -3.2921 -3.5756 F 1 noname -0.1925 6 F5 2.4820 -3.2689 -5.9437 F 1 noname -0.1922 7 F6 1.1806 -4.9209 -5.1758 F 1 noname -0.1922 8 F7 -4.2238 6.1337 -1.5030 F 1 noname -0.1922 9 F8 -2.7615 7.1349 -0.1348 F 1 noname -0.1922 10 F9 1.6623 -1.7741 -4.1172 F 1 noname -0.1995 11 F10 -1.7623 4.9138 0.4225 F 1 noname -0.1995 12 F11 -3.2246 3.9126 -0.9457 F 1 noname -0.1995 13 F12 0.3609 -3.4261 -3.3492 F 1 noname -0.1995 14 F13 -1.6752 8.4889 -2.2867 F 1 noname -0.1921 15 F14 -3.1375 7.4878 -3.6548 F 1 noname -0.1921 16 F15 3.4271 -6.4388 -4.6342 F 1 noname -0.1921 17 F16 4.7284 -4.7868 -5.4022 F 1 noname -0.1921 18 F17 2.0003 -6.4157 -7.0023 F 1 noname -0.1889 19 F18 3.3017 -4.7637 -7.7702 F 1 noname -0.1889 20 F19 -3.7608 9.3560 -0.6921 F 1 noname -0.1889 21 F20 -5.2231 8.3548 -2.0603 F 1 noname -0.1889 22 F21 4.0859 -7.2827 -8.5968 F 1 noname -0.1647 23 F22 5.5481 -6.2816 -7.2287 F 1 noname -0.1647 24 F23 4.2468 -7.9336 -6.4608 F 1 noname -0.1647 25 F24 -4.8713 11.0483 -2.5754 F 1 noname -0.1647 26 F25 -4.1368 9.7089 -4.2121 F 1 noname -0.1647 27 F26 -2.6745 10.7100 -2.8439 F 1 noname -0.1647 28 O1 1.0115 -0.9151 -0.1086 O.3 1 noname -0.1534 29 O2 0.0057 1.3205 -0.6695 O.3 1 noname -0.1534 30 O3 -1.4561 -0.5352 0.1931 O.3 1 noname -0.1637 31 O4 0.1702 0.5586 1.6361 O.2 1 noname -0.1955 32 C1 2.6687 -3.8708 -3.6585 C.3 1 noname 0.3780 33 C2 -1.9161 5.6891 -1.8123 C.3 1 noname 0.3780 34 C3 -2.9837 6.7125 -1.4201 C.3 1 noname 0.3843 35 C4 2.4207 -4.3422 -5.0928 C.3 1 noname 0.3843 36 C5 -1.9845 4.4914 -0.8628 C.3 1 noname 0.3186 37 C6 1.6010 -2.8474 -3.2663 C.3 1 noname 0.3186 38 C7 -2.9153 7.9102 -2.3696 C.3 1 noname 0.3873 39 C8 3.4883 -5.3655 -5.4851 C.3 1 noname 0.3873 40 C9 -0.9168 3.4680 -1.2550 C.3 1 noname 0.0421 41 C10 1.8490 -2.3760 -1.8320 C.3 1 noname 0.0421 42 C11 3.2404 -5.8369 -6.9194 C.3 1 noname 0.4091 43 C12 -3.9830 8.9336 -1.9773 C.3 1 noname 0.4091 44 C13 0.7814 -1.3527 -1.4398 C.3 1 noname 0.0684 45 C14 -0.9852 2.2702 -0.3055 C.3 1 noname 0.0684 46 C15 -3.9146 10.1313 -2.9269 C.3 1 noname 0.4597 47 C16 4.3080 -6.8603 -7.3116 C.3 1 noname 0.4597 48 H1 1.8003 -3.2293 -1.1556 H 1 noname 0.0354 49 H2 2.8349 -1.9159 -1.7661 H 1 noname 0.0354 50 H3 -1.0935 3.1322 -2.2768 H 1 noname 0.0354 51 H4 0.0691 3.9281 -1.1891 H 1 noname 0.0354 52 H5 -0.2046 -1.8128 -1.5057 H 1 noname 0.0579 53 H6 0.8301 -0.4994 -2.1162 H 1 noname 0.0579 54 H7 -1.9711 1.8101 -0.3714 H 1 noname 0.0579 55 H8 -0.8086 2.6061 0.7163 H 1 noname 0.0579 56 H9 -1.4999 -1.3024 0.8012 H 1 noname 0.2283 @BOND 1 1 28 1 2 1 29 1 3 1 30 1 4 1 31 2 5 2 33 1 6 3 33 1 7 4 32 1 8 5 32 1 9 6 35 1 10 7 35 1 11 8 34 1 12 9 34 1 13 10 37 1 14 11 36 1 15 12 36 1 16 13 37 1 17 14 38 1 18 15 38 1 19 16 39 1 20 17 39 1 21 18 42 1 22 19 42 1 23 20 43 1 24 21 43 1 25 22 47 1 26 23 47 1 27 24 47 1 28 25 46 1 29 26 46 1 30 27 46 1 31 28 44 1 32 29 45 1 33 30 56 1 34 32 35 1 35 32 37 1 36 33 34 1 37 33 36 1 38 34 38 1 39 35 39 1 40 36 40 1 41 37 41 1 42 38 43 1 43 39 42 1 44 40 45 1 45 40 50 1 46 40 51 1 47 41 44 1 48 41 48 1 49 41 49 1 50 42 47 1 51 43 46 1 52 44 52 1 53 44 53 1 54 45 54 1 55 45 55 1 @SUBSTRUCTURE 1 noname 1