# created with PyMOL 3.1.0 @MOLECULE HFIP-carbonyl 57 65 1 SMALL USER_CHARGES @ATOM 1 C1 2.780 3.903 8.582 C.2 1 UNK1 0.000 2 O1 6.874 4.828 3.805 O.2 1 UNK1 0.000 3 C2 2.058 3.485 9.717 C.2 1 UNK1 0.000 4 O2 -0.981 5.576 9.334 O.3 1 UNK1 0.000 5 C3 0.816 4.038 9.941 C.2 1 UNK1 0.000 6 C4 0.222 4.949 9.071 C.2 1 UNK1 0.000 7 C5 0.909 5.366 7.924 C.2 1 UNK1 0.000 8 C6 0.360 6.320 7.003 C.2 1 UNK1 0.000 9 C7 1.070 6.736 5.932 C.2 1 UNK1 0.000 10 C8 2.393 6.240 5.664 C.2 1 UNK1 0.000 11 C9 3.147 6.667 4.567 C.2 1 UNK1 0.000 12 C10 4.395 6.136 4.316 C.2 1 UNK1 0.000 13 C11 4.948 5.172 5.160 C.2 1 UNK1 0.000 14 C12 6.266 4.563 4.848 C.2 1 UNK1 0.000 15 C13 6.775 3.587 5.792 C.2 1 UNK1 0.000 16 C14 6.082 3.172 6.871 C.2 1 UNK1 0.000 17 C15 6.546 2.072 7.717 C.3 1 UNK1 0.000 18 C16 5.890 1.690 8.804 C.3 1 UNK1 0.000 19 C17 4.688 2.413 9.327 C.3 1 UNK1 0.000 20 C18 3.542 1.520 9.868 C.3 1 UNK1 0.000 21 C19 2.704 2.510 10.677 C.3 1 UNK1 0.000 22 C20 3.827 3.231 11.411 C.2 1 UNK1 0.000 23 C21 3.819 3.901 12.619 C.2 1 UNK1 0.000 24 C22 4.995 4.521 13.038 C.2 1 UNK1 0.000 25 C23 6.148 4.460 12.264 C.2 1 UNK1 0.000 26 C24 6.151 3.778 11.050 C.2 1 UNK1 0.000 27 C25 4.976 3.177 10.629 C.2 1 UNK1 0.000 28 C26 4.096 3.376 8.319 C.2 1 UNK1 0.000 29 C27 4.788 3.762 7.193 C.2 1 UNK1 0.000 30 C28 4.236 4.745 6.296 C.2 1 UNK1 0.000 31 C29 2.947 5.283 6.550 C.2 1 UNK1 0.000 32 C30 2.213 4.847 7.686 C.2 1 UNK1 0.000 33 C31 -2.122 4.817 9.696 C.3 1 UNK1 0.000 34 C32 -2.972 5.777 10.494 C.3 1 UNK1 0.000 35 C33 -2.813 4.321 8.445 C.3 1 UNK1 0.000 36 F2 2.824 0.901 8.851 F 1 UNK1 0.000 37 F3 0.147 3.701 11.072 F 1 UNK1 0.000 38 F5A -3.248 6.883 9.824 F 1 UNK1 0.000 39 F5B -4.124 5.229 10.872 F 1 UNK1 0.000 40 F5C -2.344 6.137 11.609 F 1 UNK1 0.000 41 F6A -3.917 3.639 8.720 F 1 UNK1 0.000 42 F6B -3.155 5.299 7.602 F 1 UNK1 0.000 43 F6C -2.005 3.506 7.786 F 1 UNK1 0.000 44 H6 -0.514 6.663 7.148 H 1 UNK1 0.000 45 H7 0.686 7.372 5.340 H 1 UNK1 0.000 46 H9 2.795 7.331 3.986 H 1 UNK1 0.000 47 H10 4.885 6.431 3.558 H 1 UNK1 0.000 48 H13 7.639 3.221 5.642 H 1 UNK1 0.000 49 H15 7.343 1.616 7.479 H 1 UNK1 0.000 50 H16 6.197 0.923 9.272 H 1 UNK1 0.000 51 H18 3.920 0.826 10.480 H 1 UNK1 0.000 52 H19 2.050 2.067 11.290 H 1 UNK1 0.000 53 H21 3.033 3.939 13.150 H 1 UNK1 0.000 54 H22 5.010 4.990 13.864 H 1 UNK1 0.000 55 H23 6.941 4.888 12.565 H 1 UNK1 0.000 56 H24 6.940 3.727 10.523 H 1 UNK1 0.000 57 H31 -1.851 4.043 10.267 H 1 UNK1 0.000 @BOND 1 1 3 ar 2 1 28 ar 3 1 32 ar 4 3 5 ar 5 3 21 1 6 4 33 1 7 5 6 ar 8 5 37 1 9 4 6 1 10 6 7 ar 11 7 8 ar 12 7 32 ar 13 8 9 ar 14 8 44 1 15 9 10 ar 16 9 45 1 17 10 11 ar 18 10 31 ar 19 11 12 ar 20 11 46 1 21 12 13 ar 22 12 47 1 23 13 14 ar 24 13 30 ar 25 2 14 2 26 14 15 ar 27 15 16 ar 28 15 48 1 29 16 17 1 30 16 29 ar 31 17 18 1 32 17 49 1 33 18 19 1 34 18 50 1 35 19 20 1 36 19 27 1 37 19 28 1 38 20 21 1 39 20 36 1 40 20 51 1 41 21 22 1 42 21 52 1 43 22 23 ar 44 22 27 ar 45 23 24 ar 46 23 53 1 47 24 25 ar 48 24 54 1 49 25 26 ar 50 25 55 1 51 26 27 ar 52 26 56 1 53 28 29 ar 54 29 30 ar 55 30 31 ar 56 31 32 ar 57 33 34 1 58 33 35 1 59 33 57 1 60 34 38 1 61 34 39 1 62 34 40 1 63 35 41 1 64 35 42 1 65 35 43 1 @SUBSTRUCTURE 1 UNK1 1 GROUP 1 **** UNK