@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445501 28 30 1 SMALL USER_CHARGES @ATOM 1 F1 15.2073 -12.7350 -1.2246 F 1 noname -0.1666 2 C1 15.9333 -13.5171 -0.4775 C.2 1 noname 0.0223 3 C2 16.6513 -12.9870 0.6085 C.2 1 noname 0.0402 4 C3 15.9952 -14.8941 -0.7535 C.2 1 noname 0.0187 5 C4 17.4423 -13.8240 1.4266 C.2 1 noname 0.0259 6 C5 16.7792 -15.7371 0.0514 C.2 1 noname -0.0014 7 C6 17.5072 -15.2050 1.1296 C.2 1 noname 0.0349 8 C7 18.1493 -13.3369 2.5167 C.2 1 noname 0.1127 9 O1 18.2472 -16.0510 1.9007 O.3 1 noname -0.2681 10 O2 18.1363 -12.1428 2.7847 O.2 1 noname -0.2911 11 C8 18.8773 -14.2129 3.4167 C.3 1 noname 0.0728 12 C9 19.3143 -15.5019 2.6818 C.3 1 noname 0.0676 13 C10 18.1052 -14.4969 4.6538 C.2 1 noname -0.0144 14 C11 18.5782 -14.0538 5.9059 C.2 1 noname 0.0052 15 C12 16.8881 -15.2109 4.6339 C.2 1 noname -0.0333 16 N1 17.8751 -14.3128 7.0370 N.2 1 noname -0.2520 17 C13 16.1820 -15.4658 5.8199 C.2 1 noname -0.0246 18 C14 16.7050 -14.9978 7.0331 C.2 1 noname -0.0026 19 H1 16.5952 -11.9859 0.8065 H 1 noname 0.0661 20 H2 15.4722 -15.2851 -1.5375 H 1 noname 0.0654 21 H3 16.8222 -16.7361 -0.1494 H 1 noname 0.0651 22 H4 19.7993 -13.6939 3.6888 H 1 noname 0.0461 23 H5 19.6672 -16.2489 3.3939 H 1 noname 0.0583 24 H6 20.1403 -15.2559 2.0098 H 1 noname 0.0583 25 H7 19.4522 -13.5317 5.9690 H 1 noname 0.0842 26 H8 16.5090 -15.5519 3.7508 H 1 noname 0.0626 27 H9 15.3029 -15.9838 5.7990 H 1 noname 0.0638 28 H10 16.2099 -15.1697 7.9081 H 1 noname 0.0839 @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 9 1 13 8 10 2 14 8 11 1 15 9 12 1 16 11 13 1 17 11 12 1 18 11 22 1 19 12 23 1 20 12 24 1 21 13 14 2 22 13 15 1 23 14 16 1 24 14 25 1 25 15 17 2 26 15 26 1 27 16 18 2 28 17 18 1 29 17 27 1 30 18 28 1 @SUBSTRUCTURE 1 noname 1