@MOLECULE 68749980 61 63 1 SMALL USER_CHARGES @ATOM 1 F1 0.3234 -0.5835 -9.7245 F 1 noname -0.1566 2 F2 1.7076 -5.0873 -7.1233 F 1 noname -0.1650 3 O1 2.0184 -0.0657 1.6705 O.3 1 noname -0.3773 4 O2 2.6107 3.2233 -0.2974 O.3 1 noname -0.3923 5 O3 1.8361 1.5681 -5.4336 O.3 1 noname -0.3865 6 O4 0.7723 -0.4784 -7.0481 O.3 1 noname -0.2563 7 O5 -0.1132 -8.5139 2.3591 O.3 1 noname -0.2189 8 O6 0.4223 -7.3425 0.5115 O.2 1 noname -0.2559 9 C1 0.5725 0.1380 -0.3837 C.3 1 noname -0.0061 10 C2 0.8200 0.5341 1.1137 C.3 1 noname 0.0635 11 C3 1.4686 1.1626 -1.1669 C.3 1 noname 0.0083 12 C4 1.3980 2.4750 -0.3260 C.3 1 noname 0.0632 13 C5 1.0685 2.0444 1.1040 C.3 1 noname 0.0004 14 C6 0.7887 -1.3882 -0.6875 C.3 1 noname -0.0470 15 C7 0.3321 -2.3447 0.4517 C.3 1 noname -0.0479 16 C8 1.4516 -2.5800 1.5071 C.3 1 noname -0.0178 17 C9 1.8321 -1.3337 2.3609 C.3 1 noname 0.0499 18 C10 1.1562 1.4038 -2.6616 C.2 1 noname -0.0720 19 C11 1.0460 -3.7283 2.4333 C.3 1 noname -0.0477 20 C12 0.8461 -5.0019 1.6093 C.3 1 noname -0.0436 21 C13 1.2125 0.3931 -3.5243 C.2 1 noname -0.0653 22 C14 0.9235 0.6162 -4.9069 C.3 1 noname 0.0961 23 C15 0.4405 -6.1501 2.5356 C.3 1 noname 0.0335 24 C16 1.0593 -0.6999 -5.6751 C.3 1 noname 0.0831 25 C17 0.2497 -7.3654 1.7493 C.2 1 noname 0.1348 26 C18 0.8921 -1.6397 -7.7259 C.2 1 noname 0.0643 27 C19 0.6580 -1.6722 -9.0957 C.2 1 noname 0.0437 28 C20 1.2496 -2.8029 -7.0541 C.2 1 noname 0.0358 29 C21 1.3730 -3.9986 -7.7521 C.2 1 noname 0.0277 30 C22 0.7814 -2.8679 -9.7937 C.2 1 noname 0.0161 31 C23 1.1388 -4.0311 -9.1219 C.2 1 noname -0.0046 32 H1 -0.4771 0.3479 -0.6478 H 1 noname 0.0336 33 H2 -0.0680 0.3409 1.7327 H 1 noname 0.0607 34 H3 2.4922 0.7934 -1.1701 H 1 noname 0.0376 35 H4 0.5864 3.1496 -0.6183 H 1 noname 0.0607 36 H5 0.1710 2.5625 1.4418 H 1 noname 0.0320 37 H6 1.8938 2.2534 1.7847 H 1 noname 0.0320 38 H7 0.2733 -1.6513 -1.6112 H 1 noname 0.0270 39 H8 1.8658 -1.5260 -0.7817 H 1 noname 0.0270 40 H9 -0.5487 -1.9307 0.9425 H 1 noname 0.0270 41 H10 0.1262 -3.3101 -0.0104 H 1 noname 0.0270 42 H11 2.3461 -2.8324 0.9377 H 1 noname 0.0326 43 H12 1.1051 -1.2072 3.1631 H 1 noname 0.0569 44 H13 2.7776 -1.5978 2.8345 H 1 noname 0.0569 45 H14 0.9141 2.3106 -2.9767 H 1 noname 0.0577 46 H15 0.1156 -3.4742 2.9411 H 1 noname 0.0270 47 H16 1.8300 -3.8931 3.1724 H 1 noname 0.0270 48 H17 2.8564 3.4821 -1.2101 H 1 noname 0.2104 49 H18 0.0620 -4.8370 0.8702 H 1 noname 0.0272 50 H19 1.7765 -5.2559 1.1016 H 1 noname 0.0272 51 H20 1.4545 -0.5137 -3.2092 H 1 noname 0.0600 52 H21 -0.0941 0.9933 -5.0091 H 1 noname 0.0670 53 H22 -0.4899 -5.8961 3.0433 H 1 noname 0.0372 54 H23 1.2245 -6.3149 3.2747 H 1 noname 0.0372 55 H24 0.3587 -1.4306 -5.2708 H 1 noname 0.0602 56 H25 2.0769 -1.0770 -5.5729 H 1 noname 0.0602 57 H26 1.6381 1.7210 -6.3811 H 1 noname 0.2110 58 H27 -0.6505 -9.1763 1.8765 H 1 noname 0.2213 59 H28 1.4214 -2.7790 -6.0490 H 1 noname 0.0682 60 H29 0.6095 -2.8918 -10.7988 H 1 noname 0.0655 61 H30 1.2294 -4.9085 -9.6340 H 1 noname 0.0654 @BOND 1 1 27 1 2 2 29 1 3 3 10 1 4 3 17 1 5 12 4 1 6 4 48 1 7 22 5 1 8 5 57 1 9 6 24 1 10 6 26 1 11 7 25 1 12 7 58 1 13 8 25 2 14 9 10 1 15 9 11 1 16 9 14 1 17 9 32 1 18 10 13 1 19 10 33 1 20 11 12 1 21 11 18 1 22 11 34 1 23 12 13 1 24 12 35 1 25 13 36 1 26 13 37 1 27 14 15 1 28 14 38 1 29 14 39 1 30 15 16 1 31 15 40 1 32 15 41 1 33 16 17 1 34 16 19 1 35 16 42 1 36 17 43 1 37 17 44 1 38 18 21 2 39 18 45 1 40 19 20 1 41 19 46 1 42 19 47 1 43 20 23 1 44 20 49 1 45 20 50 1 46 21 22 1 47 21 51 1 48 22 24 1 49 22 52 1 50 23 25 1 51 23 53 1 52 23 54 1 53 24 55 1 54 24 56 1 55 26 27 2 56 26 28 1 57 27 30 1 58 28 29 2 59 28 59 1 60 29 31 1 61 30 31 2 62 30 60 1 63 31 61 1 @SUBSTRUCTURE 1 noname 1