@MOLECULE 71587846 33 34 1 SMALL USER_CHARGES @ATOM 1 F1 2.0057 3.2569 -4.0171 F 1 noname -0.1509 2 F2 4.4681 4.1971 -3.3003 F 1 noname -0.1512 3 O1 3.0584 2.1838 2.0536 O.3 1 noname -0.2100 4 N1 2.3924 1.1101 2.1440 N.2 1 noname -0.2078 5 C1 0.8643 -0.4223 -0.5371 C.2 1 noname -0.0334 6 C2 0.3658 -1.2266 0.5350 C.3 1 noname -0.0254 7 C3 1.1055 -0.7152 1.7546 C.3 1 noname -0.0037 8 C4 1.7434 0.5125 -0.1200 C.2 1 noname -0.0006 9 C5 0.4348 -0.7838 -1.8855 C.3 1 noname -0.0313 10 C6 1.8247 0.3978 1.2401 C.2 1 noname 0.0511 11 C7 -0.8902 -0.1987 -2.4188 C.3 1 noname -0.0524 12 C8 2.4779 1.4148 -0.9280 C.2 1 noname -0.0272 13 C9 -1.1377 -0.7090 -3.8398 C.3 1 noname -0.0651 14 C10 1.8604 2.0300 -2.0418 C.2 1 noname 0.0232 15 C11 3.8222 1.7892 -0.6637 C.2 1 noname -0.0313 16 C12 2.5676 2.8855 -2.9012 C.2 1 noname 0.0740 17 C13 4.4678 2.8019 -1.4046 C.2 1 noname 0.0110 18 C14 3.8610 3.3054 -2.5649 C.2 1 noname 0.0729 19 H1 -0.7026 -1.0481 0.6567 H 1 noname 0.0316 20 H2 0.4708 -2.2958 0.3511 H 1 noname 0.0316 21 H3 0.3863 -0.3709 2.4979 H 1 noname 0.0336 22 H4 1.8034 -1.4202 2.2062 H 1 noname 0.0336 23 H5 0.4178 -1.8694 -1.9826 H 1 noname 0.0312 24 H6 1.1743 -0.3887 -2.5820 H 1 noname 0.0312 25 H7 -1.7110 -0.5102 -1.7728 H 1 noname 0.0267 26 H8 -0.8288 0.8895 -2.4291 H 1 noname 0.0267 27 H9 -2.0734 -0.2958 -4.2164 H 1 noname 0.0230 28 H10 -1.1992 -1.7972 -3.8295 H 1 noname 0.0230 29 H11 -0.3169 -0.3975 -4.4858 H 1 noname 0.0230 30 H12 0.8723 1.8867 -2.2417 H 1 noname 0.0660 31 H13 4.3522 1.3446 0.0972 H 1 noname 0.0630 32 H14 5.3775 3.1607 -1.0966 H 1 noname 0.0654 33 H15 3.3511 2.4627 2.9463 H 1 noname 0.2481 @BOND 1 1 16 1 2 2 18 1 3 3 4 1 4 3 33 1 5 4 10 2 6 5 6 1 7 5 8 2 8 5 9 1 9 6 7 1 10 6 19 1 11 6 20 1 12 7 10 1 13 7 21 1 14 7 22 1 15 8 10 1 16 8 12 1 17 9 11 1 18 9 23 1 19 9 24 1 20 11 13 1 21 11 25 1 22 11 26 1 23 12 14 2 24 12 15 1 25 13 27 1 26 13 28 1 27 13 29 1 28 14 16 1 29 14 30 1 30 15 17 2 31 15 31 1 32 16 18 2 33 17 18 1 34 17 32 1 @SUBSTRUCTURE 1 noname 1