@MOLECULE 86278319 51 54 1 SMALL USER_CHARGES @ATOM 1 F1 -5.6914 -4.1714 4.1669 F 1 noname 0.0000 2 F2 -5.2701 -2.6136 5.7465 F 1 noname 0.0000 3 F3 -7.0703 -2.4568 4.4594 F 1 noname 0.0000 4 F4 3.0334 3.1444 -4.1768 F 1 noname 0.0000 5 F5 1.6774 1.4157 -3.9597 F 1 noname 0.0000 6 F6 1.5138 3.1861 -2.5759 F 1 noname 0.0000 7 O1 -0.8643 0.0658 1.1489 O.3 1 noname 0.0000 8 O2 2.3559 -3.1933 1.5648 O.2 1 noname 0.0000 9 O3 3.3817 1.7738 -2.3841 O.3 1 noname 0.0000 10 N1 0.8343 -1.4694 1.3936 N.3 1 noname 0.0000 11 N2 -0.8991 -3.1785 2.5622 N.2 1 noname 0.0000 12 N3 0.3281 -3.5309 2.4817 N.3 1 noname 0.0000 13 N4 1.2788 1.9806 7.8883 N.1 1 noname 0.0000 14 C1 -0.3543 -0.9338 2.0337 C.3 1 noname 0.0000 15 C2 -1.3494 -1.9773 2.3559 C.2 1 noname 0.0000 16 C3 -0.0172 -0.2791 3.3343 C.2 1 noname 0.0000 17 C4 1.5405 -0.6780 0.4922 C.2 1 noname 0.0000 18 C5 -2.7244 -1.7142 2.4644 C.2 1 noname 0.0000 19 C6 1.2059 -2.7579 1.7659 C.2 1 noname 0.0000 20 C7 -0.3289 1.0853 3.5934 C.2 1 noname 0.0000 21 C8 0.6191 -1.0105 4.3740 C.2 1 noname 0.0000 22 C9 -3.5198 -2.3682 3.4392 C.2 1 noname 0.0000 23 C10 -3.3841 -0.8016 1.5944 C.2 1 noname 0.0000 24 C11 1.7712 0.7042 0.7231 C.2 1 noname 0.0000 25 C12 1.9184 -1.1928 -0.7665 C.2 1 noname 0.0000 26 C13 0.0154 1.6886 4.8010 C.2 1 noname 0.0000 27 C14 0.9656 -0.4247 5.5864 C.2 1 noname 0.0000 28 C15 -4.9040 -2.0824 3.5367 C.2 1 noname 0.0000 29 C16 0.6667 0.9321 5.7933 C.2 1 noname 0.0000 30 C17 -4.7018 -0.4008 1.7656 C.2 1 noname 0.0000 31 C18 2.3878 1.5238 -0.2239 C.2 1 noname 0.0000 32 C19 2.5582 -0.3796 -1.7096 C.2 1 noname 0.0000 33 C20 -5.4689 -1.0752 2.7117 C.2 1 noname 0.0000 34 C21 2.8019 0.9751 -1.4405 C.2 1 noname 0.0000 35 C22 -5.7492 -2.8358 4.4809 C.3 1 noname 0.0000 36 C23 0.9920 1.4869 6.9027 C.1 1 noname 0.0000 37 C24 2.3894 2.3631 -3.2536 C.3 1 noname 0.0000 38 H1 -0.7838 1.7035 2.9183 H 1 noname 0.0000 39 H2 0.8608 -1.9956 4.3020 H 1 noname 0.0000 40 H3 -1.5737 0.4809 1.7016 H 1 noname 0.0000 41 H4 0.6265 -4.3274 2.9582 H 1 noname 0.0000 42 H5 -3.0987 -3.0960 4.0530 H 1 noname 0.0000 43 H6 -2.9572 -0.3912 0.7831 H 1 noname 0.0000 44 H7 1.4752 1.1608 1.5799 H 1 noname 0.0000 45 H8 1.7147 -2.1581 -1.0053 H 1 noname 0.0000 46 H9 -0.2105 2.6822 4.9127 H 1 noname 0.0000 47 H10 1.4331 -1.0156 6.2840 H 1 noname 0.0000 48 H11 -5.1023 0.3475 1.1764 H 1 noname 0.0000 49 H12 2.5209 2.5196 -0.0350 H 1 noname 0.0000 50 H13 2.8301 -0.7692 -2.6092 H 1 noname 0.0000 51 H14 -6.4618 -0.8365 2.7170 H 1 noname 0.0000 @BOND 1 1 35 1 2 2 35 1 3 3 35 1 4 4 37 1 5 5 37 1 6 6 37 1 7 7 14 1 8 7 40 1 9 8 19 2 10 9 34 1 11 9 37 1 12 10 14 1 13 10 17 1 14 10 19 1 15 11 12 1 16 11 15 2 17 12 19 1 18 12 41 1 19 13 36 3 20 14 15 1 21 14 16 1 22 15 18 1 23 16 20 2 24 16 21 1 25 17 24 2 26 17 25 1 27 18 22 2 28 18 23 1 29 20 26 1 30 20 38 1 31 21 27 2 32 21 39 1 33 22 28 1 34 22 42 1 35 23 30 2 36 23 43 1 37 24 31 1 38 24 44 1 39 25 32 2 40 25 45 1 41 26 29 2 42 26 46 1 43 27 29 1 44 27 47 1 45 28 33 2 46 28 35 1 47 29 36 1 48 30 33 1 49 30 48 1 50 31 34 2 51 31 49 1 52 32 34 1 53 32 50 1 54 33 51 1 @SUBSTRUCTURE 1 noname 1