@MOLECULE 56648313 53 55 1 SMALL USER_CHARGES @ATOM 1 F1 -0.0714 -0.8745 -0.5162 F 1 noname -0.2384 2 F2 3.8044 1.4244 1.6371 F 1 noname -0.1630 3 O1 -3.8351 -3.5381 1.4818 O.2 1 noname -0.2957 4 N1 -2.8903 -3.0006 -0.4808 N.3 1 noname -0.0792 5 N2 2.7690 4.2481 3.3121 N.3 1 noname -0.2989 6 C1 -0.5030 -0.6500 0.7780 C.3 1 noname 0.1372 7 C2 -2.1705 -1.7863 1.5753 C.3 1 noname 0.0394 8 C3 -0.6685 -2.0265 1.4454 C.3 1 noname -0.0033 9 C4 -2.0402 -0.4744 0.7912 C.3 1 noname -0.0033 10 C5 0.3215 0.2956 1.6268 C.2 1 noname -0.0214 11 C6 -3.0213 -2.8368 0.8427 C.2 1 noname 0.0390 12 C7 1.6903 0.4543 1.2184 C.2 1 noname 0.0087 13 C8 -0.1928 0.9605 2.7953 C.2 1 noname -0.0465 14 C9 2.0094 1.9422 3.1058 C.2 1 noname 0.0048 15 C10 2.9173 2.8578 3.7873 C.3 1 noname 0.0263 16 C11 2.5552 1.2774 1.9694 C.2 1 noname 0.0353 17 C12 0.6541 1.8073 3.5607 C.2 1 noname -0.0322 18 C13 3.6725 5.1027 4.0702 C.3 1 noname -0.0014 19 C14 3.2541 4.4889 1.9344 C.3 1 noname -0.0014 20 C15 3.5609 6.4246 3.2833 C.3 1 noname -0.0392 21 C16 3.3926 6.0032 1.8174 C.3 1 noname -0.0392 22 C17 -3.1220 -4.2645 -1.0611 C.3 1 noname 0.0050 23 C18 -1.8514 -4.7423 -1.7668 C.3 1 noname -0.0340 24 C19 -2.1028 -6.1139 -2.3966 C.3 1 noname -0.0615 25 C20 -1.4679 -3.7421 -2.8593 C.3 1 noname -0.0615 26 H1 -2.4459 -1.6453 2.6233 H 1 noname 0.0400 27 H2 -0.4882 -2.8108 0.7102 H 1 noname 0.0310 28 H3 -0.0579 -2.0072 2.3482 H 1 noname 0.0310 29 H4 -2.4304 -0.6134 -0.2170 H 1 noname 0.0310 30 H5 -2.3099 0.3659 1.4310 H 1 noname 0.0310 31 H6 2.0353 -0.0270 0.3879 H 1 noname 0.0657 32 H7 -1.1646 0.8241 3.0738 H 1 noname 0.0626 33 H8 -2.6361 -2.2496 -1.0396 H 1 noname 0.1309 34 H9 2.7337 2.8193 4.8611 H 1 noname 0.0482 35 H10 3.9415 2.5812 3.5371 H 1 noname 0.0482 36 H11 0.3163 2.2943 4.3908 H 1 noname 0.0627 37 H12 2.5102 4.1358 1.2203 H 1 noname 0.0430 38 H13 4.2197 3.9989 1.8088 H 1 noname 0.0430 39 H14 3.2792 5.2447 5.0768 H 1 noname 0.0430 40 H15 4.6822 4.6928 4.0452 H 1 noname 0.0430 41 H16 2.6738 6.9677 3.6093 H 1 noname 0.0280 42 H17 4.4189 7.0791 3.4367 H 1 noname 0.0280 43 H18 2.4675 6.4232 1.4225 H 1 noname 0.0280 44 H19 4.2507 6.2447 1.1901 H 1 noname 0.0280 45 H20 -3.9332 -4.1887 -1.7852 H 1 noname 0.0435 46 H21 -3.3952 -4.9771 -0.2828 H 1 noname 0.0435 47 H22 -1.0402 -4.8182 -1.0427 H 1 noname 0.0310 48 H23 -1.1975 -6.4543 -2.8994 H 1 noname 0.0233 49 H24 -2.9139 -6.0380 -3.1207 H 1 noname 0.0233 50 H25 -2.3759 -6.8265 -1.6183 H 1 noname 0.0233 51 H26 -0.5627 -4.0825 -3.3621 H 1 noname 0.0233 52 H27 -2.2791 -3.6663 -3.5834 H 1 noname 0.0233 53 H28 -1.2888 -2.7650 -2.4107 H 1 noname 0.0233 @BOND 1 1 6 1 2 2 16 1 3 3 11 2 4 4 11 1 5 4 22 1 6 4 33 1 7 5 15 1 8 5 18 1 9 5 19 1 10 6 8 1 11 6 9 1 12 6 10 1 13 7 8 1 14 7 9 1 15 7 11 1 16 7 26 1 17 8 27 1 18 8 28 1 19 9 29 1 20 9 30 1 21 10 12 2 22 10 13 1 23 12 16 1 24 12 31 1 25 13 17 2 26 13 32 1 27 14 15 1 28 14 16 2 29 14 17 1 30 15 34 1 31 15 35 1 32 17 36 1 33 18 20 1 34 18 39 1 35 18 40 1 36 19 21 1 37 19 37 1 38 19 38 1 39 20 21 1 40 20 41 1 41 20 42 1 42 21 43 1 43 21 44 1 44 22 23 1 45 22 45 1 46 22 46 1 47 23 24 1 48 23 25 1 49 23 47 1 50 24 48 1 51 24 49 1 52 24 50 1 53 25 51 1 54 25 52 1 55 25 53 1 @SUBSTRUCTURE 1 noname 1