@MOLECULE FDBD00111 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 F 1.2569 -0.4581 -1.2763 F 1 UNK -0.2377 2 F1 3.4380 3.0375 0.0859 F 1 UNK -0.2407 3 O -3.0734 -0.1721 -1.9593 O.3 1 UNK -0.3802 4 O1 0.0486 -1.9784 1.7583 O.3 1 UNK -0.3886 5 O2 -5.2027 0.1392 0.6607 O.2 1 UNK -0.2919 6 O3 -5.9689 -2.2573 -0.2822 O.3 1 UNK -0.3874 7 O4 6.1200 -0.7432 -1.5127 O.2 1 UNK -0.2879 8 C -1.9146 -0.1362 0.2013 C.3 1 UNK 0.0096 9 C1 -0.9446 0.9850 -0.2319 C.3 1 UNK -0.0262 10 C2 0.4263 0.9048 0.4567 C.3 1 UNK 0.0029 11 C3 1.0997 -0.4651 0.1011 C.3 1 UNK 0.1528 12 C4 -3.1859 0.2783 -0.6028 C.3 1 UNK 0.1340 13 C5 -1.7818 2.2486 -0.0597 C.3 1 UNK -0.0436 14 C6 -1.2694 -1.4805 -0.1984 C.3 1 UNK -0.0151 15 C7 -3.1723 1.8403 -0.6102 C.3 1 UNK -0.0071 16 C8 0.1529 -1.6718 0.3774 C.3 1 UNK 0.0910 17 C9 2.5604 -0.5795 0.6932 C.3 1 UNK 0.0469 18 C10 1.3125 2.0851 0.0250 C.3 1 UNK -0.0117 19 C11 -2.2292 -0.1206 1.7229 C.3 1 UNK -0.0562 20 C12 2.7233 1.9883 0.5882 C.3 1 UNK 0.1237 21 C13 3.3429 0.6593 0.2339 C.2 1 UNK -0.0198 22 C14 -4.4533 -0.3911 -0.1581 C.2 1 UNK 0.1904 23 C15 -4.2863 2.5396 0.1626 C.3 1 UNK -0.0594 24 C16 2.6166 -0.6224 2.2381 C.3 1 UNK -0.0492 25 C17 3.2231 -1.8610 0.2082 C.2 1 UNK -0.0674 26 C18 4.4818 0.5969 -0.4740 C.2 1 UNK -0.0121 27 C19 -4.7483 -1.7433 -0.7716 C.3 1 UNK 0.1052 28 C20 4.3555 -1.9267 -0.4986 C.2 1 UNK -0.0179 29 C21 5.0718 -0.6958 -0.8778 C.2 1 UNK 0.1788 30 H -2.2738 0.2039 -2.3596 H 1 UNK 0.2108 31 H1 0.9361 -2.1006 2.1303 H 1 UNK 0.2099 32 H2 -6.1405 -3.1224 -0.6859 H 1 UNK 0.2100 33 H3 -0.6026 0.9246 -1.2440 H 1 UNK 0.0311 34 H4 0.3003 0.9651 1.5175 H 1 UNK 0.0336 35 H5 -1.3704 3.0596 -0.6236 H 1 UNK 0.0272 36 H6 -1.8188 2.5887 0.9541 H 1 UNK 0.0272 37 H7 -1.2125 -1.5257 -1.2659 H 1 UNK 0.0297 38 H8 -1.8823 -2.2587 0.2062 H 1 UNK 0.0297 39 H9 -3.3554 2.1626 -1.6140 H 1 UNK 0.0330 40 H10 0.6164 -2.4908 -0.1318 H 1 UNK 0.0626 41 H11 0.8663 2.9941 0.3705 H 1 UNK 0.0300 42 H12 1.3854 2.0649 -1.0423 H 1 UNK 0.0300 43 H13 -2.6754 0.8159 1.9853 H 1 UNK 0.0236 44 H14 -1.3225 -0.2511 2.2759 H 1 UNK 0.0236 45 H15 -2.9063 -0.9159 1.9553 H 1 UNK 0.0236 46 H16 2.7152 2.0420 1.6568 H 1 UNK 0.0699 47 H17 -4.2102 2.2917 1.2007 H 1 UNK 0.0233 48 H18 -5.2359 2.2189 -0.2119 H 1 UNK 0.0233 49 H19 -4.1942 3.5987 0.0411 H 1 UNK 0.0233 50 H20 2.1615 0.2604 2.6362 H 1 UNK 0.0242 51 H21 3.6369 -0.6724 2.5566 H 1 UNK 0.0242 52 H22 2.0903 -1.4849 2.5903 H 1 UNK 0.0242 53 H23 2.7600 -2.7524 0.4446 H 1 UNK 0.0583 54 H24 4.9565 1.4730 -0.7425 H 1 UNK 0.0656 55 H25 -4.8115 -1.6405 -1.8348 H 1 UNK 0.0637 56 H26 -3.9608 -2.4190 -0.5103 H 1 UNK 0.0637 57 H27 4.7309 -2.8457 -0.7808 H 1 UNK 0.0653 @BOND 1 1 11 1 2 2 20 1 3 3 12 1 4 4 16 1 5 5 22 2 6 6 27 1 7 7 29 2 8 8 9 1 9 8 12 1 10 8 14 1 11 8 19 1 12 9 10 1 13 9 13 1 14 10 11 1 15 10 18 1 16 11 16 1 17 11 17 1 18 12 15 1 19 12 22 1 20 13 15 1 21 14 16 1 22 15 23 1 23 17 21 1 24 17 24 1 25 17 25 1 26 18 20 1 27 20 21 1 28 21 26 2 29 22 27 1 30 25 28 2 31 26 29 1 32 28 29 1 33 3 30 1 34 4 31 1 35 6 32 1 36 9 33 1 37 10 34 1 38 13 35 1 39 13 36 1 40 14 37 1 41 14 38 1 42 15 39 1 43 16 40 1 44 18 41 1 45 18 42 1 46 19 43 1 47 19 44 1 48 19 45 1 49 20 46 1 50 23 47 1 51 23 48 1 52 23 49 1 53 24 50 1 54 24 51 1 55 24 52 1 56 25 53 1 57 26 54 1 58 27 55 1 59 27 56 1 60 28 57 1