@MOLECULE 76957620 49 51 1 SMALL USER_CHARGES @ATOM 1 F1 -5.0734 7.0922 3.1973 F 1 noname -0.1661 2 F2 -6.9389 5.9138 2.8184 F 1 noname -0.1661 3 F3 -6.4796 6.6496 4.8824 F 1 noname -0.1661 4 N1 0.9252 5.2211 2.6538 N.3 1 noname -0.3093 5 C1 -3.1052 2.3501 2.0758 C.3 1 noname 0.0439 6 C2 -3.0114 1.2712 4.9453 C.3 1 noname 0.0423 7 C3 -3.8140 3.0437 3.2207 C.2 1 noname -0.0407 8 C4 -2.4116 1.0546 2.4265 C.2 1 noname -0.0505 9 C5 -2.0955 3.3346 1.3650 C.3 1 noname -0.0410 10 C6 -3.7689 2.5323 4.5832 C.2 1 noname -0.0479 11 C7 -2.3685 0.5420 3.7911 C.2 1 noname -0.0504 12 C8 -1.0511 3.8116 2.3762 C.3 1 noname -0.0395 13 C9 -4.5661 4.2440 2.9441 C.2 1 noname -0.0242 14 C10 -1.9443 1.5629 6.0741 C.3 1 noname -0.0543 15 C11 -1.7827 0.2908 1.3696 C.2 1 noname -0.0585 16 C12 -4.4736 3.2329 5.6279 C.2 1 noname -0.0489 17 C13 -1.7026 -0.7146 4.0544 C.2 1 noname -0.0587 18 C14 -0.0728 4.7654 1.6876 C.3 1 noname -0.0024 19 C15 -5.2130 4.9284 3.9999 C.2 1 noname -0.0137 20 C16 -5.1668 4.4284 5.3276 C.2 1 noname -0.0305 21 C17 -1.0575 -0.8812 1.6853 C.2 1 noname -0.0650 22 C18 -1.0182 -1.3753 3.0100 C.2 1 noname -0.0648 23 C19 -5.9373 6.1649 3.7202 C.3 1 noname 0.4161 24 C20 1.8600 6.1325 1.9958 C.3 1 noname -0.0136 25 C21 0.2575 5.9174 3.7524 C.3 1 noname -0.0136 26 H1 -3.8875 2.0650 1.3478 H 1 noname 0.0402 27 H2 -3.7593 0.5591 5.3405 H 1 noname 0.0399 28 H3 -2.6405 4.1934 0.9730 H 1 noname 0.0276 29 H4 -1.5977 2.8155 0.5460 H 1 noname 0.0276 30 H5 -1.5489 4.3307 3.1952 H 1 noname 0.0280 31 H6 -0.5061 2.9528 2.7682 H 1 noname 0.0280 32 H7 -4.6312 4.5979 1.9897 H 1 noname 0.0632 33 H8 -1.4126 0.6432 6.3178 H 1 noname 0.0240 34 H9 -2.4500 1.9370 6.9642 H 1 noname 0.0240 35 H10 -1.2343 2.3098 5.7186 H 1 noname 0.0240 36 H11 -1.8626 0.5972 0.4000 H 1 noname 0.0625 37 H12 -4.4722 2.8676 6.5803 H 1 noname 0.0625 38 H13 -1.7271 -1.1217 4.9894 H 1 noname 0.0625 39 H14 -0.6178 5.6241 1.2956 H 1 noname 0.0430 40 H15 0.4250 4.2463 0.8685 H 1 noname 0.0430 41 H16 -5.6395 4.9377 6.0743 H 1 noname 0.0628 42 H17 -0.5562 -1.3769 0.9481 H 1 noname 0.0622 43 H18 -0.4873 -2.2219 3.2144 H 1 noname 0.0622 44 H19 2.6041 6.4723 2.7162 H 1 noname 0.0394 45 H20 1.3150 6.9913 1.6038 H 1 noname 0.0394 46 H21 2.3578 5.6134 1.1767 H 1 noname 0.0394 47 H22 1.0016 6.2572 4.4728 H 1 noname 0.0394 48 H23 -0.4394 5.2379 4.2430 H 1 noname 0.0394 49 H24 -0.2874 6.7762 3.3604 H 1 noname 0.0394 @BOND 1 1 23 1 2 2 23 1 3 3 23 1 4 4 18 1 5 4 24 1 6 4 25 1 7 5 7 1 8 5 8 1 9 5 9 1 10 5 26 1 11 6 10 1 12 6 11 1 13 6 14 1 14 6 27 1 15 7 10 2 16 7 13 1 17 8 11 1 18 8 15 2 19 9 12 1 20 9 28 1 21 9 29 1 22 10 16 1 23 11 17 2 24 12 18 1 25 12 30 1 26 12 31 1 27 13 19 2 28 13 32 1 29 14 33 1 30 14 34 1 31 14 35 1 32 15 21 1 33 15 36 1 34 16 20 2 35 16 37 1 36 17 22 1 37 17 38 1 38 18 39 1 39 18 40 1 40 19 20 1 41 19 23 1 42 20 41 1 43 21 22 2 44 21 42 1 45 22 43 1 46 24 44 1 47 24 45 1 48 24 46 1 49 25 47 1 50 25 48 1 51 25 49 1 @SUBSTRUCTURE 1 noname 1