@MOLECULE 119025888 48 52 1 SMALL USER_CHARGES @ATOM 1 F1 5.2555 -2.1793 -3.8659 F 1 noname -0.1661 2 O1 1.2478 4.4727 0.0349 O.3 1 noname -0.1474 3 O2 -0.8637 4.0062 -0.5946 O.2 1 noname -0.2522 4 N1 1.4928 0.2681 0.3474 N.3 1 noname -0.0114 5 C1 0.2324 -0.0140 -0.0116 C.2 1 noname -0.0680 6 C2 -0.4223 1.2016 -0.2965 C.2 1 noname -0.0079 7 C3 2.4798 -0.6791 0.6890 C.3 1 noname -0.0134 8 C4 0.4805 2.2299 -0.0749 C.2 1 noname 0.0144 9 C5 1.6626 1.6063 0.3283 C.2 1 noname -0.0410 10 C6 -0.4539 -1.2612 -0.0346 C.2 1 noname -0.0409 11 C7 3.2112 -1.0744 -0.5112 C.2 1 noname -0.0510 12 C8 -1.7945 1.2481 -0.6652 C.2 1 noname -0.0326 13 C9 0.2562 3.5937 -0.2229 C.2 1 noname 0.1117 14 C10 -1.8548 -1.2309 -0.3492 C.2 1 noname -0.0507 15 C11 -2.5112 0.0049 -0.6749 C.2 1 noname -0.0529 16 C12 3.2165 -2.4043 -0.9154 C.2 1 noname -0.0418 17 C13 3.9022 -0.1208 -1.2496 C.2 1 noname -0.0418 18 C14 1.0300 5.7973 -0.1088 C.2 1 noname 0.0184 19 C15 2.0510 6.7023 0.1566 C.2 1 noname -0.0081 20 C16 1.8267 8.0661 0.0087 C.2 1 noname -0.0318 21 C17 3.9128 -2.7806 -2.0580 C.2 1 noname -0.0074 22 C18 4.5985 -0.4972 -2.3922 C.2 1 noname -0.0074 23 C19 -0.2153 6.2560 -0.5222 C.2 1 noname -0.0137 24 C20 3.2963 6.2436 0.5700 C.2 1 noname -0.0348 25 C21 0.5814 8.5248 -0.4047 C.2 1 noname -0.0499 26 C22 4.6038 -1.8271 -2.7965 C.2 1 noname 0.0162 27 C23 2.8477 8.9712 0.2741 C.2 1 noname -0.0454 28 C24 -0.4396 7.6197 -0.6701 C.2 1 noname -0.0440 29 C25 4.3173 7.1487 0.8354 C.2 1 noname -0.0543 30 C26 4.0930 8.5125 0.6875 C.2 1 noname -0.0564 31 H1 2.0051 -1.5554 1.1304 H 1 noname 0.0523 32 H2 3.1716 -0.2399 1.4079 H 1 noname 0.0523 33 H3 2.5265 2.0905 0.5722 H 1 noname 0.0800 34 H4 0.0284 -2.1378 0.1636 H 1 noname 0.0642 35 H5 -2.2497 2.1269 -0.9122 H 1 noname 0.0629 36 H6 -2.3911 -2.0985 -0.3413 H 1 noname 0.0623 37 H7 -3.5021 -0.0014 -0.9167 H 1 noname 0.0622 38 H8 2.7094 -3.1041 -0.3735 H 1 noname 0.0627 39 H9 3.8983 0.8551 -0.9530 H 1 noname 0.0627 40 H10 3.9166 -3.7566 -2.3546 H 1 noname 0.0653 41 H11 5.1056 0.2026 -2.9341 H 1 noname 0.0653 42 H12 -0.9646 5.5918 -0.7169 H 1 noname 0.0650 43 H13 3.4609 5.2429 0.6786 H 1 noname 0.0630 44 H14 0.4168 9.5256 -0.5133 H 1 noname 0.0629 45 H15 2.6831 9.9720 0.1655 H 1 noname 0.0629 46 H16 -1.3535 7.9563 -0.9735 H 1 noname 0.0623 47 H17 5.2312 6.8121 1.1388 H 1 noname 0.0622 48 H18 4.8423 9.1767 0.8822 H 1 noname 0.0622 @BOND 1 1 26 1 2 2 13 1 3 2 18 1 4 3 13 2 5 4 5 1 6 4 7 1 7 4 9 1 8 5 6 1 9 5 10 2 10 6 8 1 11 6 12 2 12 7 11 1 13 7 31 1 14 7 32 1 15 8 9 2 16 8 13 1 17 9 33 1 18 10 14 1 19 10 34 1 20 11 16 2 21 11 17 1 22 12 15 1 23 12 35 1 24 14 15 2 25 14 36 1 26 15 37 1 27 16 21 1 28 16 38 1 29 17 22 2 30 17 39 1 31 18 19 1 32 18 23 2 33 19 20 1 34 19 24 2 35 20 25 1 36 20 27 2 37 21 26 2 38 21 40 1 39 22 26 1 40 22 41 1 41 23 28 1 42 23 42 1 43 24 29 1 44 24 43 1 45 25 28 2 46 25 44 1 47 27 30 1 48 27 45 1 49 28 46 1 50 29 30 2 51 29 47 1 52 30 48 1 @SUBSTRUCTURE 1 noname 1