@MOLECULE 56841872 57 60 1 SMALL USER_CHARGES @ATOM 1 F1 1.3952 -1.8601 -1.5990 F 1 noname -0.2392 2 O1 3.9206 -4.6100 -2.1623 O.3 1 noname -0.3813 3 O2 1.5623 -2.2872 1.9708 O.3 1 noname -0.3896 4 O3 5.5894 -5.4490 -0.1643 O.2 1 noname -0.2770 5 O4 5.1515 -8.0646 0.7463 O.3 1 noname -0.3854 6 O5 -3.3750 0.9181 -2.4901 O.2 1 noname -0.3034 7 C1 2.5676 -4.5945 -0.0659 C.3 1 noname 0.0093 8 C2 1.2518 -4.4810 -0.9574 C.3 1 noname -0.0265 9 C3 0.1832 -3.5621 -0.3085 C.3 1 noname 0.0005 10 C4 0.7514 -2.0705 -0.3820 C.3 1 noname 0.1519 11 C5 3.4320 -5.4489 -1.0868 C.3 1 noname 0.1311 12 C6 3.1070 -3.1506 0.3016 C.3 1 noname -0.0149 13 C7 0.9108 -5.9056 -1.3973 C.3 1 noname -0.0462 14 C8 1.9874 -2.0863 0.6217 C.3 1 noname 0.0902 15 C9 -0.3926 -0.9160 -0.3192 C.3 1 noname 0.0442 16 C10 2.3365 -6.3777 -1.7011 C.3 1 noname -0.0160 17 C11 -1.2520 -3.7686 -0.8362 C.3 1 noname -0.0432 18 C12 2.3479 -5.3863 1.2929 C.3 1 noname -0.0561 19 C13 -2.1313 -2.8008 -0.0294 C.3 1 noname -0.0302 20 C14 -1.7856 -1.4777 -0.5124 C.2 1 noname -0.0275 21 C15 4.6637 -6.1970 -0.6149 C.2 1 noname 0.1762 22 C16 -0.3784 -0.1375 1.0285 C.3 1 noname -0.0491 23 C17 -0.1721 0.1871 -1.3091 C.2 1 noname -0.0376 24 C18 -2.7489 -0.8484 -1.2265 C.2 1 noname 0.0223 25 C19 5.0017 -7.6797 -0.6181 C.3 1 noname 0.1126 26 C20 -1.1466 0.7416 -2.0415 C.2 1 noname 0.0172 27 C21 -2.4460 0.2992 -1.9156 C.2 1 noname 0.0644 28 C22 4.2522 -8.9048 -1.2323 C.3 1 noname -0.0317 29 H1 1.4502 -4.0274 -1.9420 H 1 noname 0.0313 30 H2 0.1013 -3.9090 0.7247 H 1 noname 0.0340 31 H3 3.6936 -2.7687 -0.5322 H 1 noname 0.0301 32 H4 3.8179 -3.1803 1.1407 H 1 noname 0.0301 33 H5 0.3403 -6.0258 -2.3216 H 1 noname 0.0271 34 H6 0.4182 -6.4699 -0.5949 H 1 noname 0.0271 35 H7 2.4759 -1.1136 0.6044 H 1 noname 0.0634 36 H8 2.3408 -7.3434 -1.2524 H 1 noname 0.0301 37 H9 2.5130 -6.4611 -2.7735 H 1 noname 0.0301 38 H10 -1.5667 -4.7939 -0.6413 H 1 noname 0.0274 39 H11 -1.2849 -3.4916 -1.8899 H 1 noname 0.0274 40 H12 3.2856 -5.4236 1.8473 H 1 noname 0.0237 41 H13 1.5919 -4.8780 1.8915 H 1 noname 0.0237 42 H14 2.0154 -6.4007 1.0726 H 1 noname 0.0237 43 H15 -3.1815 -3.0019 -0.2410 H 1 noname 0.0313 44 H16 -1.8802 -2.9466 1.0212 H 1 noname 0.0313 45 H17 -1.1611 0.6211 1.0182 H 1 noname 0.0244 46 H18 -0.5555 -0.8311 1.8506 H 1 noname 0.0244 47 H19 0.5912 0.3426 1.1606 H 1 noname 0.0244 48 H20 0.7485 0.5372 -1.4628 H 1 noname 0.0587 49 H21 4.4516 -5.1512 -2.7833 H 1 noname 0.2114 50 H22 2.3438 -2.2919 2.5622 H 1 noname 0.2105 51 H23 -3.6818 -1.2068 -1.3286 H 1 noname 0.0663 52 H24 5.9266 -7.7503 -1.1895 H 1 noname 0.0681 53 H25 -0.9373 1.4754 -2.6835 H 1 noname 0.0660 54 H26 4.0758 -8.7282 -2.2933 H 1 noname 0.0261 55 H27 3.2981 -9.0397 -0.7229 H 1 noname 0.0261 56 H28 4.8597 -9.8014 -1.1092 H 1 noname 0.0261 57 H29 4.3138 -7.8976 1.2267 H 1 noname 0.2110 @BOND 1 10 1 1 2 11 2 1 3 2 49 1 4 14 3 1 5 3 50 1 6 4 21 2 7 25 5 1 8 5 57 1 9 6 27 2 10 7 8 1 11 7 11 1 12 7 12 1 13 7 18 1 14 8 9 1 15 8 13 1 16 8 29 1 17 9 10 1 18 9 17 1 19 9 30 1 20 10 14 1 21 10 15 1 22 11 16 1 23 11 21 1 24 12 14 1 25 12 31 1 26 12 32 1 27 13 16 1 28 13 33 1 29 13 34 1 30 14 35 1 31 15 20 1 32 15 22 1 33 15 23 1 34 16 36 1 35 16 37 1 36 17 19 1 37 17 38 1 38 17 39 1 39 18 40 1 40 18 41 1 41 18 42 1 42 19 20 1 43 19 43 1 44 19 44 1 45 20 24 2 46 21 25 1 47 22 45 1 48 22 46 1 49 22 47 1 50 23 26 2 51 23 48 1 52 24 27 1 53 24 51 1 54 25 28 1 55 25 52 1 56 26 27 1 57 26 53 1 58 28 54 1 59 28 55 1 60 28 56 1 @SUBSTRUCTURE 1 noname 1