@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445507 29 31 1 SMALL USER_CHARGES @ATOM 1 F1 29.9736 -6.2448 5.5398 F 1 noname -0.1653 2 C1 30.8595 -5.3128 5.7458 C.2 1 noname 0.0247 3 C2 31.4005 -4.6018 4.6589 C.2 1 noname -0.0006 4 C3 31.2775 -5.0167 7.0538 C.2 1 noname -0.0082 5 C4 32.3624 -3.5888 4.8650 C.2 1 noname -0.0328 6 C5 32.2344 -4.0127 7.2728 C.2 1 noname -0.0431 7 C6 32.7724 -3.3047 6.1850 C.2 1 noname -0.0560 8 C7 32.9454 -2.8248 3.7300 C.3 1 noname 0.0714 9 C8 31.9423 -2.0297 3.0421 C.2 1 noname 0.1091 10 C9 33.6993 -3.7317 2.7291 C.3 1 noname 0.0676 11 O1 31.5883 -0.9887 3.5781 O.2 1 noname -0.2916 12 C10 31.3583 -2.4477 1.8551 C.2 1 noname 0.0081 13 O2 32.8013 -4.3847 1.8261 O.3 1 noname -0.2672 14 C11 31.8113 -3.6446 1.2522 C.2 1 noname 0.0372 15 C12 30.3203 -1.7197 1.2312 C.2 1 noname -0.0114 16 C13 31.2222 -4.1096 0.0633 C.2 1 noname -0.0191 17 C14 29.7413 -2.1806 0.0373 C.2 1 noname -0.0605 18 C15 30.1912 -3.3765 -0.5456 C.2 1 noname -0.0333 19 H1 31.0895 -4.8257 3.7140 H 1 noname 0.0656 20 H2 30.8885 -5.5287 7.8468 H 1 noname 0.0653 21 H3 32.5383 -3.7967 8.2228 H 1 noname 0.0623 22 H4 33.4653 -2.5757 6.3590 H 1 noname 0.0625 23 H5 33.6893 -2.1267 4.1190 H 1 noname 0.0461 24 H6 34.2893 -4.4806 3.2601 H 1 noname 0.0583 25 H7 34.3832 -3.1117 2.1451 H 1 noname 0.0583 26 H8 29.9803 -0.8517 1.6482 H 1 noname 0.0631 27 H9 31.5462 -4.9795 -0.3586 H 1 noname 0.0650 28 H10 28.9912 -1.6486 -0.4046 H 1 noname 0.0622 29 H11 29.7682 -3.7135 -1.4115 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 19 1 6 4 6 2 7 4 20 1 8 5 7 2 9 5 8 1 10 6 7 1 11 6 21 1 12 7 22 1 13 8 9 1 14 8 10 1 15 8 23 1 16 9 11 2 17 9 12 1 18 10 13 1 19 10 24 1 20 10 25 1 21 12 14 2 22 12 15 1 23 13 14 1 24 14 16 1 25 15 17 2 26 15 26 1 27 16 18 2 28 16 27 1 29 17 18 1 30 17 28 1 31 18 29 1 @SUBSTRUCTURE 1 noname 1