@MOLECULE 76960465 65 70 1 SMALL USER_CHARGES @ATOM 1 F1 13.3566 -7.1575 4.0081 F 1 noname -0.1661 2 F2 12.9340 -7.5823 1.8509 F 1 noname -0.1661 3 F3 11.2883 -7.7213 3.3625 F 1 noname -0.1661 4 O1 5.8635 8.7030 1.9276 O.3 1 noname -0.1451 5 O2 6.1956 4.5803 1.4727 O.3 1 noname -0.2814 6 O3 8.0973 8.8223 2.2339 O.2 1 noname -0.2513 7 O4 11.9475 -0.7477 3.0634 O.3 1 noname -0.2727 8 C1 10.7188 4.7167 2.2281 C.3 1 noname 0.0119 9 C2 8.5558 6.1542 2.3123 C.3 1 noname 0.0185 10 C3 9.2231 4.8678 1.7176 C.3 1 noname -0.0347 11 C4 11.0901 5.5049 3.5384 C.3 1 noname 0.0134 12 C5 8.6191 5.9922 3.8281 C.2 1 noname -0.0541 13 C6 9.9087 5.7111 4.4248 C.2 1 noname -0.0504 14 C7 11.0514 3.2376 2.4542 C.2 1 noname -0.0660 15 C8 7.2331 6.7087 1.8586 C.2 1 noname 0.1102 16 C9 7.4645 6.0818 4.6947 C.2 1 noname -0.0562 17 C10 10.0552 5.5460 5.8362 C.2 1 noname -0.0624 18 C11 6.0789 5.9183 1.6091 C.2 1 noname 0.0187 19 C12 12.0870 2.6417 1.7440 C.2 1 noname -0.0521 20 C13 10.3173 2.4922 3.3694 C.2 1 noname -0.0521 21 C14 7.0886 8.1173 2.0147 C.2 1 noname 0.1307 22 C15 7.5971 5.9050 6.0941 C.2 1 noname -0.0669 23 C16 8.8799 5.6408 6.6368 C.2 1 noname -0.0626 24 C17 4.8100 6.5290 1.5034 C.2 1 noname 0.0123 25 C18 12.3887 1.3004 1.9491 C.2 1 noname -0.0309 26 C19 10.6189 1.1509 3.5745 C.2 1 noname -0.0309 27 C20 4.7452 7.9678 1.6596 C.2 1 noname 0.0294 28 C21 11.6546 0.5550 2.8643 C.2 1 noname -0.0063 29 C22 3.6451 5.7661 1.2239 C.2 1 noname -0.0245 30 C23 3.5152 8.6670 1.5127 C.2 1 noname -0.0111 31 C24 2.4203 6.4794 1.0729 C.2 1 noname -0.0562 32 C25 2.3584 7.8991 1.2129 C.2 1 noname -0.0436 33 C26 11.1903 -1.5458 2.1656 C.3 1 noname 0.0784 34 C27 11.5071 -2.9546 2.3810 C.2 1 noname -0.0408 35 C28 10.5050 -3.8434 2.7523 C.2 1 noname -0.0401 36 C29 12.8109 -3.4071 2.2147 C.2 1 noname -0.0401 37 C30 10.8066 -5.1847 2.9573 C.2 1 noname -0.0238 38 C31 13.1125 -4.7484 2.4197 C.2 1 noname -0.0238 39 C32 12.1104 -5.6372 2.7911 C.2 1 noname -0.0093 40 C33 12.4272 -7.0461 3.0064 C.3 1 noname 0.4161 41 H1 11.3934 5.0821 1.4460 H 1 noname 0.0356 42 H2 9.3019 6.8867 1.9655 H 1 noname 0.0405 43 H3 8.6479 3.9903 2.0133 H 1 noname 0.0282 44 H4 9.2207 4.9016 0.6282 H 1 noname 0.0282 45 H5 11.5176 6.4716 3.2720 H 1 noname 0.0322 46 H6 11.8995 5.0242 4.0879 H 1 noname 0.0322 47 H7 6.5462 6.2742 4.2946 H 1 noname 0.0625 48 H8 10.9675 5.3669 6.2556 H 1 noname 0.0625 49 H9 12.6257 3.1886 1.0724 H 1 noname 0.0626 50 H10 9.5573 2.9295 3.8906 H 1 noname 0.0626 51 H11 6.7809 5.9668 6.7027 H 1 noname 0.0622 52 H12 8.9656 5.5129 7.6451 H 1 noname 0.0622 53 H13 13.1487 0.8631 1.4279 H 1 noname 0.0650 54 H14 10.0803 0.6039 4.2461 H 1 noname 0.0650 55 H15 3.6834 4.7507 1.1349 H 1 noname 0.0630 56 H16 5.3713 4.1476 1.7789 H 1 noname 0.2182 57 H17 3.4659 9.6803 1.6185 H 1 noname 0.0650 58 H18 1.5669 5.9629 0.8597 H 1 noname 0.0622 59 H19 1.4629 8.3729 1.0949 H 1 noname 0.0623 60 H20 10.1272 -1.3814 2.3415 H 1 noname 0.0623 61 H21 11.4356 -1.2709 1.1397 H 1 noname 0.0623 62 H22 9.5483 -3.5114 2.8743 H 1 noname 0.0626 63 H23 13.5462 -2.7549 1.9422 H 1 noname 0.0626 64 H24 10.0713 -5.8370 3.2298 H 1 noname 0.0628 65 H25 14.0692 -5.0804 2.2977 H 1 noname 0.0628 @BOND 1 1 40 1 2 2 40 1 3 3 40 1 4 4 21 1 5 4 27 1 6 5 18 1 7 5 56 1 8 6 21 2 9 7 28 1 10 7 33 1 11 8 10 1 12 8 11 1 13 8 14 1 14 8 41 1 15 9 10 1 16 9 12 1 17 9 15 1 18 9 42 1 19 10 43 1 20 10 44 1 21 11 13 1 22 11 45 1 23 11 46 1 24 12 13 1 25 12 16 2 26 13 17 2 27 14 19 2 28 14 20 1 29 15 18 2 30 15 21 1 31 16 22 1 32 16 47 1 33 17 23 1 34 17 48 1 35 18 24 1 36 19 25 1 37 19 49 1 38 20 26 2 39 20 50 1 40 22 23 2 41 22 51 1 42 23 52 1 43 24 27 1 44 24 29 2 45 25 28 2 46 25 53 1 47 26 28 1 48 26 54 1 49 27 30 2 50 29 31 1 51 29 55 1 52 30 32 1 53 30 57 1 54 31 32 2 55 31 58 1 56 32 59 1 57 33 34 1 58 33 60 1 59 33 61 1 60 34 35 2 61 34 36 1 62 35 37 1 63 35 62 1 64 36 38 2 65 36 63 1 66 37 39 2 67 37 64 1 68 38 39 1 69 38 65 1 70 39 40 1 @SUBSTRUCTURE 1 noname 1