@MOLECULE 71533696 43 46 1 SMALL USER_CHARGES @ATOM 1 F1 -1.2015 -0.6720 -3.3915 F 1 noname -0.1647 2 F2 -2.9328 -1.3929 -2.1686 F 1 noname -0.1647 3 F3 -3.1735 0.3811 -3.5130 F 1 noname -0.1647 4 F4 -2.8412 8.9602 -0.4417 F 1 noname -0.1661 5 F5 -4.9566 8.2380 -0.3167 F 1 noname -0.1661 6 F6 -3.7267 8.4276 1.5444 F 1 noname -0.1661 7 N1 -1.0448 0.1783 -0.6189 N.3 1 noname -0.0586 8 N2 -1.0543 2.2211 0.5361 N.2 1 noname -0.2085 9 N3 -0.5074 -0.9894 -0.5264 N.2 1 noname -0.2908 10 N4 3.2923 0.7318 6.2627 N.2 1 noname -0.2633 11 N5 3.9727 2.3821 7.7920 N.3 1 noname -0.1209 12 C1 -1.9059 0.5966 -1.5914 C.2 1 noname 0.0069 13 C2 -1.9264 2.7295 -0.4004 C.2 1 noname 0.0696 14 C3 -0.6254 0.9437 0.4160 C.2 1 noname 0.0125 15 C4 -2.3866 1.9123 -1.4961 C.2 1 noname 0.0367 16 C5 -2.3632 4.0823 -0.2562 C.2 1 noname -0.0266 17 C6 0.2230 0.1915 1.1882 C.2 1 noname 0.0748 18 C7 -2.3096 -0.2852 -2.6828 C.3 1 noname 0.4312 19 C8 -2.4754 4.6505 1.0681 C.2 1 noname -0.0211 20 C9 -2.6881 4.8829 -1.4238 C.2 1 noname -0.0211 21 C10 0.2854 -1.0478 0.5652 C.2 1 noname 0.0585 22 C11 -3.2375 6.7353 0.0469 C.2 1 noname 0.0020 23 C12 -2.9140 5.9922 1.2263 C.2 1 noname -0.0180 24 C13 -3.1387 6.2160 -1.2824 C.2 1 noname -0.0180 25 C14 -3.6975 8.1112 0.2107 C.3 1 noname 0.4161 26 C15 0.8286 0.5631 2.2599 C.1 1 noname 0.0008 27 C16 1.3886 0.9068 3.2523 C.1 1 noname -0.0252 28 C17 2.0044 1.2689 4.3371 C.2 1 noname -0.0258 29 C18 2.0189 2.6417 4.7239 C.2 1 noname -0.0242 30 C19 2.6593 0.2818 5.1272 C.2 1 noname 0.0130 31 C20 2.6820 3.0722 5.9024 C.2 1 noname -0.0315 32 C21 3.3256 2.0528 6.6658 C.2 1 noname 0.0174 33 H1 -3.0438 2.2805 -2.1837 H 1 noname 0.0666 34 H2 -2.2402 4.0895 1.8869 H 1 noname 0.0629 35 H3 -2.5902 4.4794 -2.3555 H 1 noname 0.0629 36 H4 0.8293 -1.8532 0.8748 H 1 noname 0.0871 37 H5 -2.9960 6.4129 2.1519 H 1 noname 0.0629 38 H6 -3.3830 6.7833 -2.0941 H 1 noname 0.0629 39 H7 1.5421 3.3293 4.1405 H 1 noname 0.0637 40 H8 2.6591 -0.7041 4.8657 H 1 noname 0.0853 41 H9 2.6977 4.0516 6.1868 H 1 noname 0.0656 42 H10 4.3531 1.5842 8.1915 H 1 noname 0.1257 43 H11 3.3510 2.7904 8.4146 H 1 noname 0.1257 @BOND 1 1 18 1 2 2 18 1 3 3 18 1 4 4 25 1 5 5 25 1 6 6 25 1 7 7 9 1 8 7 12 1 9 7 14 1 10 8 13 2 11 8 14 1 12 9 21 2 13 10 30 1 14 10 32 2 15 11 32 1 16 11 42 1 17 11 43 1 18 12 15 2 19 12 18 1 20 13 15 1 21 13 16 1 22 14 17 2 23 15 33 1 24 16 19 2 25 16 20 1 26 17 21 1 27 17 26 1 28 19 23 1 29 19 34 1 30 20 24 2 31 20 35 1 32 21 36 1 33 22 23 2 34 22 24 1 35 22 25 1 36 23 37 1 37 24 38 1 38 26 27 3 39 27 28 1 40 28 29 1 41 28 30 2 42 29 31 2 43 29 39 1 44 30 40 1 45 31 32 1 46 31 41 1 @SUBSTRUCTURE 1 noname 1