@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445502 28 30 1 SMALL USER_CHARGES @ATOM 1 F1 11.2374 -16.5354 -0.6122 F 1 noname -0.1546 2 C1 10.6504 -15.5773 0.0507 C.2 1 noname 0.0577 3 C2 11.3433 -14.8703 1.0527 C.2 1 noname 0.0831 4 C3 9.3144 -15.2533 -0.2412 C.2 1 noname 0.0164 5 O1 12.6452 -15.1863 1.3148 O.3 1 noname -0.2529 6 C4 10.7073 -13.8223 1.7577 C.2 1 noname 0.0228 7 C5 8.6714 -14.2223 0.4608 C.2 1 noname -0.0455 8 C6 13.1962 -14.8252 2.5858 C.3 1 noname 0.0678 9 C7 11.4213 -13.1243 2.7228 C.2 1 noname 0.1123 10 C8 9.3633 -13.5093 1.4538 C.2 1 noname -0.0152 11 C9 12.8291 -13.3743 2.9718 C.3 1 noname 0.0728 12 O2 10.8902 -12.2293 3.3658 O.2 1 noname -0.2911 13 C10 13.6950 -12.3702 2.3028 C.2 1 noname -0.0144 14 C11 14.4939 -11.4952 3.0679 C.2 1 noname 0.0052 15 C12 13.7590 -12.2492 0.8989 C.2 1 noname -0.0333 16 N1 15.2859 -10.5782 2.4589 N.2 1 noname -0.2520 17 C13 14.5879 -11.2912 0.2940 C.2 1 noname -0.0246 18 C14 15.3578 -10.4501 1.1110 C.2 1 noname -0.0026 19 H1 8.8074 -15.7662 -0.9651 H 1 noname 0.0654 20 H2 7.7014 -13.9873 0.2478 H 1 noname 0.0623 21 H3 12.7902 -15.5002 3.3418 H 1 noname 0.0583 22 H4 14.2801 -14.9542 2.5618 H 1 noname 0.0583 23 H5 8.8853 -12.7573 1.9518 H 1 noname 0.0631 24 H6 12.9781 -13.3042 4.0518 H 1 noname 0.0461 25 H7 14.4779 -11.5452 4.0869 H 1 noname 0.0842 26 H8 13.1990 -12.8621 0.3070 H 1 noname 0.0626 27 H9 14.6309 -11.2082 -0.7218 H 1 noname 0.0638 28 H10 15.9677 -9.7471 0.6951 H 1 noname 0.0839 @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 4 19 1 8 5 8 1 9 6 9 1 10 6 10 2 11 7 10 1 12 7 20 1 13 8 11 1 14 8 21 1 15 8 22 1 16 9 12 2 17 9 11 1 18 10 23 1 19 11 13 1 20 11 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