@MOLECULE 59317190 42 44 1 SMALL USER_CHARGES @ATOM 1 F1 -2.3830 -2.3102 -4.8751 F 1 noname -0.1661 2 F2 -0.2850 -2.5309 -5.6248 F 1 noname -0.1661 3 F3 -1.3795 -4.3108 -4.8207 F 1 noname -0.1661 4 O1 0.2474 3.5500 0.3075 O.3 1 noname -0.3934 5 O2 0.5810 0.3146 1.0689 O.2 1 noname -0.2580 6 O3 -0.7931 1.7851 -2.8004 O.2 1 noname -0.2650 7 N1 1.4504 2.1277 -1.9125 N.3 1 noname -0.0302 8 N2 0.3335 0.1868 -1.3512 N.3 1 noname -0.0702 9 N3 -0.9422 -6.0064 -3.0976 N.1 1 noname -0.1826 10 C1 1.7635 1.8621 -0.5038 C.3 1 noname 0.1519 11 C2 0.8403 0.7118 -0.0876 C.2 1 noname 0.1736 12 C3 3.1550 1.4361 -0.3864 C.2 1 noname -0.0411 13 C4 1.5924 3.1002 0.3787 C.3 1 noname 0.0749 14 C5 0.1887 1.4185 -2.1191 C.2 1 noname 0.0721 15 C6 2.1895 2.8855 -2.8439 C.3 1 noname -0.0029 16 C7 0.0729 -1.0783 -1.7080 C.2 1 noname 0.0042 17 C8 3.5904 0.2940 -1.0483 C.2 1 noname -0.0482 18 C9 4.0444 2.1727 0.3872 C.2 1 noname -0.0482 19 C10 -0.4112 -1.3557 -2.9811 C.2 1 noname 0.0250 20 C11 0.2867 -2.1131 -0.8049 C.2 1 noname -0.0065 21 C12 4.9152 -0.1115 -0.9365 C.2 1 noname -0.0582 22 C13 5.3692 1.7672 0.4989 C.2 1 noname -0.0582 23 C14 -0.6815 -2.6680 -3.3511 C.2 1 noname 0.0418 24 C15 5.8046 0.6250 -0.1629 C.2 1 noname -0.0610 25 C16 0.0164 -3.4254 -1.1750 C.2 1 noname 0.0013 26 C17 -0.4677 -3.7028 -2.4481 C.2 1 noname 0.0373 27 C18 -1.1900 -2.9594 -4.6883 C.3 1 noname 0.4174 28 C19 -0.7189 -4.9226 -2.7920 C.1 1 noname 0.0700 29 H1 1.8368 2.8476 1.4104 H 1 noname 0.0592 30 H2 2.2584 3.8895 0.0303 H 1 noname 0.0592 31 H3 2.2827 3.9107 -2.4858 H 1 noname 0.0400 32 H4 1.6752 2.8817 -3.8050 H 1 noname 0.0400 33 H5 3.1817 2.4498 -2.9610 H 1 noname 0.0400 34 H6 2.9377 -0.2465 -1.6160 H 1 noname 0.0626 35 H7 3.7249 3.0108 0.8729 H 1 noname 0.0626 36 H8 -0.5681 -0.5963 -3.6437 H 1 noname 0.0646 37 H9 0.6420 -1.9095 0.1293 H 1 noname 0.0640 38 H10 0.1378 4.3431 0.8727 H 1 noname 0.2101 39 H11 5.2347 -0.9497 -1.4222 H 1 noname 0.0622 40 H12 6.0219 2.3077 1.0666 H 1 noname 0.0622 41 H13 6.7768 0.3274 -0.0810 H 1 noname 0.0622 42 H14 0.1733 -4.1848 -0.5123 H 1 noname 0.0637 @BOND 1 1 27 1 2 2 27 1 3 3 27 1 4 4 13 1 5 4 38 1 6 5 11 2 7 6 14 2 8 7 10 1 9 7 14 1 10 7 15 1 11 8 11 1 12 8 14 1 13 8 16 1 14 9 28 3 15 10 11 1 16 10 12 1 17 10 13 1 18 12 17 2 19 12 18 1 20 13 29 1 21 13 30 1 22 15 31 1 23 15 32 1 24 15 33 1 25 16 19 2 26 16 20 1 27 17 21 1 28 17 34 1 29 18 22 2 30 18 35 1 31 19 23 1 32 19 36 1 33 20 25 2 34 20 37 1 35 21 24 2 36 21 39 1 37 22 24 1 38 22 40 1 39 23 26 2 40 23 27 1 41 24 41 1 42 25 26 1 43 25 42 1 44 26 28 1 @SUBSTRUCTURE 1 noname 1