@MOLECULE 56840847 67 71 1 SMALL USER_CHARGES @ATOM 1 F1 1.3338 -0.6841 -1.9278 F 1 noname -0.2395 2 O1 -0.8703 -3.8193 -3.8487 O.3 1 noname -0.3327 3 O2 -2.6094 -2.3045 -4.2963 O.3 1 noname -0.3436 4 O3 1.3106 -3.0956 0.8150 O.3 1 noname -0.3896 5 O4 -1.2115 -6.2379 -2.6568 O.2 1 noname -0.2770 6 O5 -4.6410 -5.2457 -2.8141 O.3 1 noname -0.3883 7 O6 3.6746 3.7658 0.5809 O.2 1 noname -0.3011 8 C1 -0.9526 -3.3867 -1.4264 C.3 1 noname 0.0124 9 C2 -1.2256 -1.8405 -1.5538 C.3 1 noname -0.0240 10 C3 -0.5578 -0.9334 -0.4619 C.3 1 noname 0.0005 11 C4 1.0184 -1.0231 -0.6112 C.3 1 noname 0.1485 12 C5 -1.7487 -3.9176 -2.7041 C.3 1 noname 0.1636 13 C6 -2.7125 -1.7365 -1.8988 C.3 1 noname -0.0194 14 C7 -2.8426 -2.8046 -2.9855 C.3 1 noname 0.0982 15 C8 0.6212 -3.5693 -1.4099 C.3 1 noname -0.0148 16 C9 1.4220 -2.5681 -0.5023 C.3 1 noname 0.0899 17 C10 1.7801 0.0746 0.2986 C.3 1 noname 0.0265 18 C11 -1.0551 0.5194 -0.6084 C.3 1 noname -0.0406 19 C12 -1.4780 -4.0331 -0.0887 C.3 1 noname -0.0559 20 C13 -0.4079 1.4627 0.3860 C.3 1 noname -0.0216 21 C14 1.0716 1.4245 0.2827 C.2 1 noname -0.0302 22 C15 3.2998 0.1905 -0.1246 C.3 1 noname -0.0337 23 C16 -2.1444 -5.3930 -2.7091 C.2 1 noname 0.1763 24 C17 -1.4666 -2.9707 -4.8386 C.3 1 noname 0.1645 25 C18 1.8452 -0.3747 1.7848 C.3 1 noname -0.0526 26 C19 4.0572 1.4928 0.2630 C.3 1 noname 0.0111 27 C20 1.7738 2.5890 0.3064 C.2 1 noname 0.0245 28 C21 -1.2393 2.7329 0.1130 C.3 1 noname -0.0587 29 C22 -3.4544 -6.0269 -2.8146 C.3 1 noname 0.1049 30 C23 -0.4437 -1.9322 -5.3033 C.3 1 noname -0.0107 31 C24 -1.9548 -3.8668 -5.9787 C.3 1 noname -0.0107 32 C25 3.1496 2.6506 0.3588 C.2 1 noname 0.0940 33 H1 -0.7854 -1.4762 -2.4895 H 1 noname 0.0314 34 H2 -0.8679 -1.2838 0.5286 H 1 noname 0.0340 35 H3 -3.3076 -2.0252 -1.0324 H 1 noname 0.0297 36 H4 -3.0202 -0.7418 -2.2214 H 1 noname 0.0297 37 H5 -3.8789 -3.0959 -2.9100 H 1 noname 0.0640 38 H6 0.8653 -4.5927 -1.1251 H 1 noname 0.0301 39 H7 0.9481 -3.3624 -2.4289 H 1 noname 0.0301 40 H8 2.4656 -2.6858 -0.7818 H 1 noname 0.0634 41 H9 -2.1376 0.5471 -0.4840 H 1 noname 0.0276 42 H10 -0.7830 0.8668 -1.6051 H 1 noname 0.0276 43 H11 -1.2479 -5.0985 -0.0851 H 1 noname 0.0237 44 H12 -2.5567 -3.8941 -0.0172 H 1 noname 0.0237 45 H13 -0.9927 -3.5538 0.7615 H 1 noname 0.0237 46 H14 -0.6698 1.1551 1.3903 H 1 noname 0.0346 47 H15 3.3921 0.0221 -1.1975 H 1 noname 0.0281 48 H16 3.8376 -0.6561 0.3023 H 1 noname 0.0281 49 H17 2.3631 0.3841 2.3714 H 1 noname 0.0240 50 H18 0.8337 -0.5039 2.1699 H 1 noname 0.0240 51 H19 2.3844 -1.3193 1.8556 H 1 noname 0.0240 52 H20 1.5710 -4.0403 0.8116 H 1 noname 0.2105 53 H21 4.5637 1.3482 1.2173 H 1 noname 0.0350 54 H22 4.8791 1.7068 -0.4202 H 1 noname 0.0350 55 H23 1.3314 3.4816 0.3355 H 1 noname 0.0659 56 H24 -0.8967 3.5380 0.7630 H 1 noname 0.0236 57 H25 -2.2913 2.5283 0.3115 H 1 noname 0.0236 58 H26 -1.1172 3.0301 -0.9286 H 1 noname 0.0236 59 H27 -3.5380 -6.8151 -2.0663 H 1 noname 0.0647 60 H28 -3.4261 -6.6004 -3.7412 H 1 noname 0.0647 61 H29 -0.8970 -1.2871 -6.0559 H 1 noname 0.0285 62 H30 -0.1253 -1.3299 -4.4525 H 1 noname 0.0285 63 H31 0.4201 -2.4399 -5.7326 H 1 noname 0.0285 64 H32 -2.4156 -3.2522 -6.7520 H 1 noname 0.0285 65 H33 -2.6872 -4.5769 -5.5945 H 1 noname 0.0285 66 H34 -1.1095 -4.4097 -6.4016 H 1 noname 0.0285 67 H35 -5.4201 -5.8349 -2.8919 H 1 noname 0.2106 @BOND 1 11 1 1 2 2 12 1 3 2 24 1 4 3 14 1 5 3 24 1 6 16 4 1 7 4 52 1 8 5 23 2 9 6 29 1 10 6 67 1 11 7 32 2 12 8 9 1 13 8 12 1 14 8 15 1 15 8 19 1 16 9 10 1 17 9 13 1 18 9 33 1 19 10 11 1 20 10 18 1 21 10 34 1 22 11 16 1 23 11 17 1 24 12 14 1 25 12 23 1 26 13 14 1 27 13 35 1 28 13 36 1 29 14 37 1 30 15 16 1 31 15 38 1 32 15 39 1 33 16 40 1 34 17 21 1 35 17 22 1 36 17 25 1 37 18 20 1 38 18 41 1 39 18 42 1 40 19 43 1 41 19 44 1 42 19 45 1 43 20 21 1 44 20 28 1 45 20 46 1 46 21 27 2 47 22 26 1 48 22 47 1 49 22 48 1 50 23 29 1 51 24 30 1 52 24 31 1 53 25 49 1 54 25 50 1 55 25 51 1 56 26 32 1 57 26 53 1 58 26 54 1 59 27 32 1 60 27 55 1 61 28 56 1 62 28 57 1 63 28 58 1 64 29 59 1 65 29 60 1 66 30 61 1 67 30 62 1 68 30 63 1 69 31 64 1 70 31 65 1 71 31 66 1 @SUBSTRUCTURE 1 noname 1