@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445506 29 31 1 SMALL USER_CHARGES @ATOM 1 F1 0.8779 -10.7473 8.0970 F 1 noname -0.1655 2 C1 1.3828 -10.0942 7.0891 C.2 1 noname 0.0230 3 C2 0.9678 -10.3902 5.7791 C.2 1 noname -0.0064 4 C3 2.3448 -9.0932 7.3071 C.2 1 noname -0.0064 5 C4 1.5128 -9.6852 4.6922 C.2 1 noname -0.0371 6 C5 2.8877 -8.3902 6.2182 C.2 1 noname -0.0371 7 C6 2.4787 -8.6751 4.8972 C.2 1 noname -0.0518 8 C7 3.0657 -7.9161 3.7623 C.3 1 noname 0.0713 9 C8 2.0657 -7.1231 3.0683 C.2 1 noname 0.1091 10 C9 3.8217 -8.8281 2.7673 C.3 1 noname 0.0676 11 O1 1.7116 -6.0790 3.5984 O.2 1 noname -0.2916 12 C10 1.4846 -7.5460 1.8814 C.2 1 noname 0.0081 13 O2 2.9236 -9.4850 1.8674 O.3 1 noname -0.2672 14 C11 1.9366 -8.7470 1.2864 C.2 1 noname 0.0372 15 C12 0.4506 -6.8190 1.2504 C.2 1 noname -0.0114 16 C13 1.3495 -9.2169 0.0985 C.2 1 noname -0.0191 17 C14 -0.1253 -7.2850 0.0575 C.2 1 noname -0.0605 18 C15 0.3215 -8.4849 -0.5174 C.2 1 noname -0.0333 19 H1 0.2708 -11.1161 5.6132 H 1 noname 0.0653 20 H2 2.6507 -8.8742 8.2561 H 1 noname 0.0653 21 H3 1.1997 -9.9121 3.7492 H 1 noname 0.0626 22 H4 3.5837 -7.6642 6.3912 H 1 noname 0.0626 23 H5 3.8087 -7.2161 4.1513 H 1 noname 0.0461 24 H6 4.4116 -9.5730 3.3034 H 1 noname 0.0583 25 H7 4.5056 -8.2100 2.1814 H 1 noname 0.0583 26 H8 0.1116 -5.9480 1.6615 H 1 noname 0.0631 27 H9 1.6735 -10.0899 -0.3183 H 1 noname 0.0650 28 H10 -0.8724 -6.7519 -0.3904 H 1 noname 0.0622 29 H11 -0.0994 -8.8258 -1.3823 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 21 1 10 6 7 1 11 6 22 1 12 7 8 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