@MOLECULE 67029278 46 49 1 SMALL USER_CHARGES @ATOM 1 F1 1.2863 -1.0746 -1.7701 F 1 noname -0.1572 2 F2 -2.4979 -2.8579 -3.8253 F 1 noname -0.1670 3 O1 2.4589 3.3638 1.9973 O.2 1 noname -0.2829 4 N1 -0.2633 0.5438 -0.2445 N.3 1 noname 0.0006 5 N2 0.9104 1.1215 -0.3230 N.2 1 noname -0.2586 6 N3 3.3516 2.6607 0.0629 N.3 1 noname -0.0631 7 C1 -0.5552 2.2295 2.7915 C.3 1 noname 0.0385 8 C2 -1.9645 0.8901 1.8079 C.3 1 noname 0.0338 9 C3 -1.2837 0.9377 3.1914 C.3 1 noname -0.0380 10 C4 -1.7575 3.1775 2.5341 C.3 1 noname -0.0456 11 C5 -2.7659 2.2227 1.8341 C.3 1 noname -0.0444 12 C6 -0.7916 0.9709 0.9045 C.2 1 noname -0.0621 13 C7 0.0818 1.8090 1.5294 C.2 1 noname 0.0283 14 C8 1.2072 1.9250 0.7343 C.2 1 noname 0.0652 15 C9 -0.8156 -0.2970 -1.1296 C.2 1 noname 0.0318 16 C10 2.3555 2.6753 0.9591 C.2 1 noname 0.0503 17 C11 4.6838 2.8445 0.4865 C.3 1 noname 0.0173 18 C12 -0.0069 -1.1203 -1.9044 C.2 1 noname 0.0477 19 C13 -2.1974 -0.3460 -1.2730 C.2 1 noname -0.0135 20 C14 5.5124 1.6139 0.1125 C.3 1 noname -0.0469 21 C15 5.2702 4.0813 -0.1971 C.3 1 noname -0.0469 22 C16 4.7144 3.0379 2.0040 C.3 1 noname -0.0469 23 C17 -0.5799 -1.9926 -2.8225 C.2 1 noname 0.0439 24 C18 -2.7703 -1.2182 -2.1912 C.2 1 noname -0.0087 25 C19 -1.9616 -2.0415 -2.9660 C.2 1 noname 0.0150 26 H1 0.1363 2.6979 3.4920 H 1 noname 0.0353 27 H2 -2.6351 0.0651 1.5675 H 1 noname 0.0366 28 H3 -2.0283 1.1621 3.9551 H 1 noname 0.0279 29 H4 -0.6338 0.0918 3.4152 H 1 noname 0.0279 30 H5 -2.1708 3.5071 3.4873 H 1 noname 0.0273 31 H6 -1.4391 4.0150 1.9134 H 1 noname 0.0273 32 H7 -3.6490 2.1034 2.4619 H 1 noname 0.0273 33 H8 -3.0215 2.5188 0.8167 H 1 noname 0.0273 34 H9 3.1561 2.5235 -0.8772 H 1 noname 0.1319 35 H10 -2.7908 0.2582 -0.7045 H 1 noname 0.0645 36 H11 6.5423 1.7561 0.4399 H 1 noname 0.0249 37 H12 5.7443 3.1801 2.3314 H 1 noname 0.0249 38 H13 4.1241 3.9147 2.2705 H 1 noname 0.0249 39 H14 4.2966 2.1569 2.4910 H 1 noname 0.0249 40 H15 6.3001 4.2235 0.1303 H 1 noname 0.0249 41 H16 4.6799 4.9580 0.0694 H 1 noname 0.0249 42 H17 5.2484 3.9435 -1.2782 H 1 noname 0.0249 43 H18 5.0946 0.7328 0.5995 H 1 noname 0.0249 44 H19 5.4906 1.4762 -0.9686 H 1 noname 0.0249 45 H20 0.0136 -2.5967 -3.3911 H 1 noname 0.0684 46 H21 -3.7843 -1.2541 -2.2965 H 1 noname 0.0653 @BOND 1 1 18 1 2 2 25 1 3 3 16 2 4 4 5 1 5 4 12 1 6 4 15 1 7 5 14 2 8 6 16 1 9 6 17 1 10 6 34 1 11 7 9 1 12 7 10 1 13 7 13 1 14 7 26 1 15 8 9 1 16 8 11 1 17 8 12 1 18 8 27 1 19 9 28 1 20 9 29 1 21 10 11 1 22 10 30 1 23 10 31 1 24 11 32 1 25 11 33 1 26 12 13 2 27 13 14 1 28 14 16 1 29 15 18 2 30 15 19 1 31 17 20 1 32 17 21 1 33 17 22 1 34 18 23 1 35 19 24 2 36 19 35 1 37 20 36 1 38 20 43 1 39 20 44 1 40 21 40 1 41 21 41 1 42 21 42 1 43 22 37 1 44 22 38 1 45 22 39 1 46 23 25 2 47 23 45 1 48 24 25 1 49 24 46 1 @SUBSTRUCTURE 1 noname 1