@MOLECULE DB06832 30 32 1 SMALL USER_CHARGES @ATOM 1 F1 4.9571 4.6323 -0.4033 F 1 noname -0.1547 2 C1 4.6397 3.3707 -0.4182 C.2 1 noname 0.0585 3 C2 5.6263 2.4078 -0.5959 C.2 1 noname 0.0655 4 C3 3.3139 2.9857 -0.2565 C.2 1 noname 0.0437 5 O1 6.9139 2.7818 -0.7530 O.3 1 noname -0.2697 6 C4 5.2871 1.0599 -0.6119 C.2 1 noname -0.0035 7 C5 2.9747 1.6378 -0.2724 C.2 1 noname -0.0134 8 C6 3.9614 0.6749 -0.4501 C.2 1 noname -0.0087 9 C7 1.6490 1.2527 -0.1107 C.2 1 noname 0.1120 10 O2 1.2092 -0.0341 -0.1102 O.3 1 noname -0.3318 11 N1 0.6149 2.1044 0.0683 N.2 1 noname -0.2062 12 C8 -0.1309 0.0135 0.0665 C.2 1 noname 0.0472 13 C9 -0.5016 1.3651 0.1500 C.2 1 noname 0.0526 14 C10 -1.0913 -1.0443 0.0932 C.2 1 noname 0.0289 15 C11 -1.8728 1.7724 0.2170 C.2 1 noname 0.0261 16 C12 -2.4612 -0.6539 0.1886 C.2 1 noname 0.0016 17 C13 -0.7206 -2.3513 0.0312 C.2 1 noname -0.0411 18 C14 -2.8445 0.7272 0.2347 C.2 1 noname 0.0224 19 C15 0.4535 -2.7338 0.5252 C.2 1 noname -0.0796 20 O3 -4.1548 1.0461 0.2963 O.3 1 noname -0.2834 21 H1 2.5402 3.7407 -0.1171 H 1 noname 0.0662 22 H2 7.3203 2.8998 0.1087 H 1 noname 0.2183 23 H3 6.0608 0.3049 -0.7512 H 1 noname 0.0651 24 H4 3.6954 -0.3821 -0.4626 H 1 noname 0.0631 25 H5 -2.1616 2.8228 0.2526 H 1 noname 0.0673 26 H6 -3.2300 -1.4256 0.2269 H 1 noname 0.0657 27 H7 -1.3716 -3.1005 -0.4194 H 1 noname 0.0623 28 H8 0.6423 -3.7880 0.7277 H 1 noname 0.0538 29 H9 1.2270 -1.9929 0.7277 H 1 noname 0.0538 30 H10 -4.4252 1.1119 1.2151 H 1 noname 0.2181 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 6 8 2 8 7 9 1 9 7 8 1 10 9 10 1 11 9 11 2 12 10 12 1 13 11 13 1 14 12 14 1 15 12 13 2 16 13 15 1 17 14 16 2 18 14 17 1 19 15 18 2 20 16 18 1 21 17 19 2 22 18 20 1 23 4 21 1 24 5 22 1 25 6 23 1 26 8 24 1 27 15 25 1 28 16 26 1 29 17 27 1 30 19 28 1 31 19 29 1 32 20 30 1 @SUBSTRUCTURE 1 noname 1