@MOLECULE DB02179 30 31 1 SMALL USER_CHARGES @ATOM 1 F1 -1.4374 -0.2126 -1.4374 F 1 noname -0.1660 2 C1 -0.0997 -0.3307 -1.7138 C.3 1 noname 0.4176 3 F2 0.2327 -1.6577 -1.8046 F 1 noname -0.1660 4 F3 0.1779 0.2923 -2.9032 F 1 noname -0.1660 5 C2 0.6751 0.2931 -0.6452 C.2 1 noname -0.0138 6 C3 0.5595 -0.1719 0.6596 C.2 1 noname 0.0009 7 C4 1.5283 1.3522 -0.9325 C.2 1 noname -0.0297 8 N1 -0.2630 -1.1929 0.9366 N.3 1 noname -0.0095 9 C5 1.2972 0.4220 1.6770 C.2 1 noname -0.0515 10 C6 2.2660 1.9461 0.0849 C.2 1 noname -0.0762 11 C7 0.4052 -2.3487 0.8218 C.2 1 noname 0.0196 12 C8 2.1504 1.4810 1.3897 C.2 1 noname -0.0609 13 C9 -0.2442 -3.5538 1.0626 C.2 1 noname -0.0083 14 C10 1.7478 -2.3424 0.4617 C.2 1 noname -0.0435 15 C11 -1.5867 -3.5600 1.4226 C.2 1 noname 0.0853 16 C12 0.4490 -4.7527 0.9434 C.2 1 noname -0.0087 17 C13 2.4409 -3.5414 0.3426 C.2 1 noname -0.0372 18 O1 -2.1707 -4.6438 1.6392 O.2 1 noname -0.2586 19 O2 -2.2600 -2.3956 1.5383 O.3 1 noname -0.2183 20 C14 1.7915 -4.7465 0.5834 C.2 1 noname -0.0677 21 H1 1.6189 1.7169 -1.9557 H 1 noname 0.0629 22 H2 -1.2361 -1.1048 1.1924 H 1 noname 0.1342 23 H3 1.2066 0.0573 2.7002 H 1 noname 0.0639 24 H4 2.9350 2.7766 -0.1404 H 1 noname 0.0622 25 H5 2.7289 1.9468 2.1875 H 1 noname 0.0623 26 H6 2.2570 -1.3974 0.2729 H 1 noname 0.0639 27 H7 -0.0603 -5.6978 1.1323 H 1 noname 0.0631 28 H8 3.4937 -3.5365 0.0603 H 1 noname 0.0623 29 H9 -2.3807 -2.1868 2.4675 H 1 noname 0.2216 30 H10 2.3351 -5.6867 0.4900 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 9 1 9 7 10 2 10 8 11 1 11 9 12 2 12 10 12 1 13 11 13 2 14 11 14 1 15 13 15 1 16 13 16 1 17 14 17 2 18 15 18 2 19 15 19 1 20 16 20 2 21 17 20 1 22 7 21 1 23 8 22 1 24 9 23 1 25 10 24 1 26 12 25 1 27 14 26 1 28 16 27 1 29 17 28 1 30 19 29 1 31 20 30 1 @SUBSTRUCTURE 1 noname 1