@MOLECULE 66550890 65 67 1 SMALL USER_CHARGES @ATOM 1 F1 6.6465 -5.0151 -2.1567 F 1 noname -0.1711 2 F2 6.3254 -3.4713 -0.5675 F 1 noname -0.1711 3 F3 5.6392 -3.0807 -2.6624 F 1 noname -0.1711 4 F4 0.0823 -3.9450 -6.2825 F 1 noname -0.1711 5 F5 -0.2389 -2.4012 -4.6932 F 1 noname -0.1711 6 F6 1.8274 -2.8180 -5.4477 F 1 noname -0.1711 7 O1 0.9466 -2.1841 -0.7639 O.2 1 noname -0.2935 8 O2 0.0015 -6.6803 -1.6258 O.2 1 noname -0.2972 9 O3 -0.7072 -5.1035 3.6420 O.2 1 noname -0.2601 10 N1 0.6477 -3.2659 1.3211 N.3 1 noname -0.0577 11 N2 -0.8069 -4.6866 -0.9893 N.3 1 noname -0.0897 12 N3 0.4819 -3.2208 4.4721 N.3 1 noname -0.1198 13 N4 2.3142 -4.5061 2.4605 N.2 1 noname -0.2393 14 C1 2.1332 -4.1977 -0.5261 C.3 1 noname 0.0441 15 C2 1.5445 -4.8339 -1.7869 C.3 1 noname 0.0438 16 C3 3.4920 -3.5762 -0.8553 C.3 1 noname -0.0328 17 C4 1.3755 -3.8108 -2.8148 C.3 1 noname -0.0328 18 C5 1.2294 -3.1607 -0.0368 C.2 1 noname 0.0478 19 C6 4.4391 -4.6629 -1.3681 C.3 1 noname 0.0441 20 C7 0.7868 -4.4470 -4.0756 C.3 1 noname 0.0441 21 C8 0.1857 -5.4554 -1.4578 C.2 1 noname 0.0344 22 C9 0.9367 -4.3938 2.2396 C.3 1 noname 0.1811 23 C10 5.7978 -4.0414 -1.6972 C.3 1 noname 0.3888 24 C11 0.6098 -3.3750 -5.1527 C.3 1 noname 0.3888 25 C12 0.2063 -4.2342 3.5199 C.2 1 noname 0.1536 26 C13 1.5833 -2.2889 4.3971 C.2 1 noname 0.0027 27 C14 3.1991 -3.7279 2.9946 C.2 1 noname 0.0083 28 C15 2.8221 -2.4997 3.6571 C.2 1 noname -0.0051 29 C16 4.5559 -4.2196 2.8542 C.2 1 noname -0.0299 30 C17 -0.4663 -3.1640 5.5872 C.3 1 noname -0.0005 31 C18 1.5183 -1.0346 5.1304 C.2 1 noname -0.0276 32 C19 3.7417 -1.3958 3.6692 C.2 1 noname -0.0295 33 C20 2.5564 -0.0909 5.2272 C.2 1 noname -0.0473 34 C21 3.7110 -0.2966 4.5120 C.2 1 noname -0.0541 35 C22 4.8157 -5.6412 2.8821 C.2 1 noname -0.0348 36 C23 5.7354 -3.4109 2.6146 C.2 1 noname -0.0348 37 C24 6.1399 -6.1649 2.8592 C.2 1 noname -0.0533 38 C25 7.0561 -3.9053 2.7741 C.2 1 noname -0.0533 39 C26 7.2604 -5.2998 2.8815 C.2 1 noname -0.0526 40 H1 2.2593 -4.9614 0.2413 H 1 noname 0.0405 41 H2 2.2192 -5.6080 -2.1522 H 1 noname 0.0405 42 H3 3.3658 -2.8124 -1.6227 H 1 noname 0.0278 43 H4 3.9114 -3.1230 0.0430 H 1 noname 0.0278 44 H5 0.7008 -3.0367 -2.4495 H 1 noname 0.0278 45 H6 2.3436 -3.3681 -3.0493 H 1 noname 0.0278 46 H7 4.0197 -5.1161 -2.2663 H 1 noname 0.0359 47 H8 4.5652 -5.4266 -0.6007 H 1 noname 0.0359 48 H9 -0.1812 -4.8898 -3.8411 H 1 noname 0.0359 49 H10 1.4616 -5.2212 -4.4409 H 1 noname 0.0359 50 H11 0.1681 -2.4581 1.7239 H 1 noname 0.1337 51 H12 0.5668 -5.3202 1.7460 H 1 noname 0.0827 52 H13 -0.6640 -3.7361 -0.8589 H 1 noname 0.1271 53 H14 -1.6683 -5.0807 -0.7807 H 1 noname 0.1271 54 H15 -1.4685 -2.9747 5.2027 H 1 noname 0.0403 55 H16 -0.4557 -4.1137 6.1219 H 1 noname 0.0403 56 H17 -0.1803 -2.3612 6.2668 H 1 noname 0.0403 57 H18 0.6912 -0.7626 5.6444 H 1 noname 0.0639 58 H19 4.4777 -1.2364 3.0344 H 1 noname 0.0630 59 H20 2.4577 0.7658 5.7772 H 1 noname 0.0623 60 H21 4.4814 0.3775 4.5427 H 1 noname 0.0622 61 H22 4.0580 -6.3406 2.9172 H 1 noname 0.0629 62 H23 5.7185 -2.4785 2.2184 H 1 noname 0.0629 63 H24 6.2825 -7.1744 2.8263 H 1 noname 0.0622 64 H25 7.8475 -3.2628 2.8108 H 1 noname 0.0622 65 H26 8.2031 -5.6781 2.9740 H 1 noname 0.0622 @BOND 1 1 23 1 2 2 23 1 3 3 23 1 4 4 24 1 5 5 24 1 6 6 24 1 7 7 18 2 8 8 21 2 9 9 25 2 10 10 18 1 11 22 10 1 12 10 50 1 13 11 21 1 14 11 52 1 15 11 53 1 16 12 25 1 17 12 26 1 18 12 30 1 19 13 22 1 20 13 27 2 21 14 15 1 22 14 16 1 23 14 18 1 24 14 40 1 25 15 17 1 26 15 21 1 27 15 41 1 28 16 19 1 29 16 42 1 30 16 43 1 31 17 20 1 32 17 44 1 33 17 45 1 34 19 23 1 35 19 46 1 36 19 47 1 37 20 24 1 38 20 48 1 39 20 49 1 40 22 25 1 41 22 51 1 42 26 28 1 43 26 31 2 44 27 28 1 45 27 29 1 46 28 32 2 47 29 35 2 48 29 36 1 49 30 54 1 50 30 55 1 51 30 56 1 52 31 33 1 53 31 57 1 54 32 34 1 55 32 58 1 56 33 34 2 57 33 59 1 58 34 60 1 59 35 37 1 60 35 61 1 61 36 38 2 62 36 62 1 63 37 39 2 64 37 63 1 65 38 39 1 66 38 64 1 67 39 65 1 @SUBSTRUCTURE 1 noname 1