@MOLECULE 91663252 51 53 1 SMALL USER_CHARGES @ATOM 1 F1 -3.4615 -12.2135 -2.3603 F 1 noname -0.1636 2 O1 3.3978 -0.5221 0.4774 O.2 1 noname -0.2857 3 O2 1.7792 2.5566 -2.2297 O.2 1 noname -0.2868 4 O3 0.0877 -7.9901 0.4503 O.2 1 noname -0.2978 5 N1 -0.2355 -3.0723 0.5321 N.3 1 noname -0.3031 6 N2 2.1800 1.4936 -0.0969 N.3 1 noname 0.0823 7 C1 1.0924 -0.5953 -0.5134 C.3 1 noname 0.0578 8 C2 0.6383 0.4193 -1.6436 C.3 1 noname 0.0445 9 C3 0.0393 -0.5445 0.6596 C.3 1 noname -0.0256 10 C4 1.6420 -2.0281 -0.9141 C.3 1 noname -0.0256 11 C5 1.1721 -3.1906 0.0224 C.3 1 noname -0.0008 12 C6 -0.9396 -1.7448 0.5541 C.3 1 noname -0.0008 13 C7 2.3870 0.0597 0.0277 C.2 1 noname 0.0868 14 C8 1.5747 1.6268 -1.4197 C.2 1 noname 0.0854 15 C9 0.6806 0.0535 -3.1369 C.3 1 noname -0.0531 16 C10 -1.0804 -4.0610 -0.1358 C.3 1 noname -0.0014 17 C11 2.4884 2.5081 0.8324 C.3 1 noname 0.0021 18 C12 -0.5489 -5.4659 0.1552 C.3 1 noname -0.0331 19 C13 -1.4330 -6.5006 -0.5438 C.3 1 noname 0.0120 20 C14 -0.9258 -7.8412 -0.2660 C.2 1 noname 0.0921 21 C15 -1.5701 -8.9521 -0.7981 C.2 1 noname -0.0220 22 C16 -1.0872 -10.2284 -0.5337 C.2 1 noname -0.0020 23 C17 -2.6971 -8.7866 -1.5946 C.2 1 noname -0.0020 24 C18 -1.7314 -11.3393 -1.0658 C.2 1 noname 0.0043 25 C19 -3.3413 -9.8974 -2.1267 C.2 1 noname 0.0043 26 C20 -2.8585 -11.1738 -1.8623 C.2 1 noname 0.0407 27 H1 -0.3908 0.7616 -1.4965 H 1 noname 0.0405 28 H2 1.3572 -2.2520 -1.9421 H 1 noname 0.0290 29 H3 -0.5220 0.3882 0.6037 H 1 noname 0.0290 30 H4 0.5867 -0.6491 1.5963 H 1 noname 0.0290 31 H5 2.7314 -2.0032 -0.9418 H 1 noname 0.0290 32 H6 1.2932 -4.1435 -0.4926 H 1 noname 0.0430 33 H7 1.8132 -3.0998 0.8993 H 1 noname 0.0430 34 H8 -1.6386 -1.7181 1.3900 H 1 noname 0.0430 35 H9 -1.5017 -1.6472 -0.3747 H 1 noname 0.0430 36 H10 0.3252 0.8976 -3.7279 H 1 noname 0.0238 37 H11 0.0418 -0.8111 -3.3174 H 1 noname 0.0238 38 H12 1.7047 -0.1852 -3.4236 H 1 noname 0.0238 39 H13 -2.1021 -3.9752 0.2341 H 1 noname 0.0430 40 H14 -1.0671 -3.8831 -1.2111 H 1 noname 0.0430 41 H15 1.9418 2.3308 1.7586 H 1 noname 0.0404 42 H16 2.2026 3.4764 0.4215 H 1 noname 0.0404 43 H17 3.5593 2.5014 1.0356 H 1 noname 0.0404 44 H18 -0.5621 -5.6438 1.2305 H 1 noname 0.0284 45 H19 0.4728 -5.5518 -0.2147 H 1 noname 0.0284 46 H20 -2.4547 -6.4148 -0.1738 H 1 noname 0.0350 47 H21 -1.4198 -6.3227 -1.6191 H 1 noname 0.0350 48 H22 -0.2602 -10.3499 0.0508 H 1 noname 0.0631 49 H23 -3.0514 -7.8500 -1.7887 H 1 noname 0.0631 50 H24 -1.3771 -12.2759 -0.8717 H 1 noname 0.0653 51 H25 -4.1684 -9.7760 -2.7112 H 1 noname 0.0653 @BOND 1 1 26 1 2 2 13 2 3 3 14 2 4 4 20 2 5 5 11 1 6 5 12 1 7 5 16 1 8 6 13 1 9 6 14 1 10 6 17 1 11 7 8 1 12 7 9 1 13 7 10 1 14 7 13 1 15 8 14 1 16 8 15 1 17 8 27 1 18 9 12 1 19 9 29 1 20 9 30 1 21 10 11 1 22 10 28 1 23 10 31 1 24 11 32 1 25 11 33 1 26 12 34 1 27 12 35 1 28 15 36 1 29 15 37 1 30 15 38 1 31 16 18 1 32 16 39 1 33 16 40 1 34 17 41 1 35 17 42 1 36 17 43 1 37 18 19 1 38 18 44 1 39 18 45 1 40 19 20 1 41 19 46 1 42 19 47 1 43 20 21 1 44 21 22 2 45 21 23 1 46 22 24 1 47 22 48 1 48 23 25 2 49 23 49 1 50 24 26 2 51 24 50 1 52 25 26 1 53 25 51 1 @SUBSTRUCTURE 1 noname 1