@MOLECULE 91810648 55 56 1 SMALL USER_CHARGES @ATOM 1 F1 6.2359 4.2068 2.1951 F 1 noname -0.1661 2 F2 7.0345 2.3708 3.1973 F 1 noname -0.1661 3 F3 5.5148 3.4807 4.1077 F 1 noname -0.1661 4 O1 2.7117 5.5224 -1.0346 O.3 1 noname -0.1959 5 O2 4.6171 4.0214 0.3682 O.2 1 noname -0.2851 6 O3 3.2706 4.2092 -2.8405 O.2 1 noname -0.2421 7 N1 3.2029 0.9296 -2.0265 N.1 1 noname -0.1847 8 C1 -2.5183 3.2176 1.6650 C.3 1 noname 0.0152 9 C2 -1.1606 3.1893 1.0936 C.2 1 noname -0.0538 10 C3 2.8041 3.0955 -0.7344 C.3 1 noname 0.2295 11 C4 1.4342 3.1832 -0.0836 C.2 1 noname -0.0450 12 C5 -2.7312 1.9777 2.5357 C.3 1 noname -0.0561 13 C6 -2.6859 4.4757 2.5195 C.3 1 noname -0.0561 14 C7 -3.5478 3.2290 0.5332 C.3 1 noname -0.0561 15 C8 -0.9421 2.5612 -0.1565 C.2 1 noname -0.0580 16 C9 -0.0853 3.8101 1.7754 C.2 1 noname -0.0580 17 C10 0.3367 2.5664 -0.7285 C.2 1 noname -0.0472 18 C11 1.1953 3.8109 1.1837 C.2 1 noname -0.0472 19 C12 3.8291 3.0498 0.3643 C.2 1 noname 0.1162 20 C13 2.9269 4.2960 -1.6291 C.2 1 noname 0.1577 21 C14 3.8778 2.0586 1.4199 C.2 1 noname 0.0167 22 C15 3.0170 1.9163 -1.4679 C.1 1 noname 0.0818 23 C16 4.8123 2.0855 2.5119 C.2 1 noname 0.0311 24 C17 2.5281 6.7743 -1.6764 C.3 1 noname 0.0618 25 C18 2.9021 0.9717 1.4094 C.2 1 noname -0.0080 26 C19 4.7567 1.0225 3.4552 C.2 1 noname -0.0130 27 C20 5.8964 3.0572 2.8609 C.3 1 noname 0.4168 28 C21 2.8762 -0.0510 2.3514 C.2 1 noname -0.0448 29 C22 1.1592 7.3445 -1.2999 C.3 1 noname -0.0383 30 C23 3.6247 7.7426 -1.2285 C.3 1 noname -0.0383 31 C24 3.8196 -0.0334 3.3791 C.2 1 noname -0.0307 32 H1 -4.5523 3.2499 0.9560 H 1 noname 0.0239 33 H2 -3.4285 2.3327 -0.0755 H 1 noname 0.0239 34 H3 -3.3962 4.1124 -0.0871 H 1 noname 0.0239 35 H4 -3.6904 4.4967 2.9422 H 1 noname 0.0239 36 H5 -3.7357 1.9986 2.9584 H 1 noname 0.0239 37 H6 -2.6118 1.0814 1.9269 H 1 noname 0.0239 38 H7 -1.9978 1.9696 3.3420 H 1 noname 0.0239 39 H8 -2.5342 5.3591 1.8992 H 1 noname 0.0239 40 H9 -1.9524 4.4676 3.3258 H 1 noname 0.0239 41 H10 -1.6739 2.0849 -0.6920 H 1 noname 0.0625 42 H11 -0.1926 4.2612 2.6971 H 1 noname 0.0625 43 H12 0.4674 2.0729 -1.6176 H 1 noname 0.0626 44 H13 1.9470 4.2461 1.7398 H 1 noname 0.0626 45 H14 2.5811 6.6399 -2.7568 H 1 noname 0.0603 46 H15 2.1557 0.8479 0.7166 H 1 noname 0.0630 47 H16 5.4158 0.9498 4.2522 H 1 noname 0.0629 48 H17 1.0181 8.3063 -1.7930 H 1 noname 0.0257 49 H18 3.4836 8.7045 -1.7216 H 1 noname 0.0257 50 H19 3.5717 7.8770 -0.1481 H 1 noname 0.0257 51 H20 4.5999 7.3364 -1.4967 H 1 noname 0.0257 52 H21 0.3779 6.6546 -1.6190 H 1 noname 0.0257 53 H22 1.1062 7.4788 -0.2195 H 1 noname 0.0257 54 H23 2.1737 -0.8127 2.2691 H 1 noname 0.0622 55 H24 3.8180 -0.7995 4.0712 H 1 noname 0.0622 @BOND 1 1 27 1 2 2 27 1 3 3 27 1 4 4 20 1 5 4 24 1 6 5 19 2 7 6 20 2 8 7 22 3 9 8 9 1 10 8 12 1 11 8 13 1 12 8 14 1 13 9 15 2 14 9 16 1 15 10 11 1 16 10 19 1 17 10 20 1 18 10 22 1 19 11 17 2 20 11 18 1 21 12 36 1 22 12 37 1 23 12 38 1 24 13 35 1 25 13 39 1 26 13 40 1 27 14 32 1 28 14 33 1 29 14 34 1 30 15 17 1 31 15 41 1 32 16 18 2 33 16 42 1 34 17 43 1 35 18 44 1 36 19 21 1 37 21 23 1 38 21 25 2 39 23 26 2 40 23 27 1 41 24 29 1 42 24 30 1 43 24 45 1 44 25 28 1 45 25 46 1 46 26 31 1 47 26 47 1 48 28 31 2 49 28 54 1 50 29 48 1 51 29 52 1 52 29 53 1 53 30 49 1 54 30 50 1 55 30 51 1 56 31 55 1 @SUBSTRUCTURE 1 noname 1