@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448113 44 46 1 SMALL USER_CHARGES @ATOM 1 F1 25.0137 -26.1773 3.0811 F 1 noname -0.1659 2 C1 25.1796 -27.5022 2.7491 C.3 1 noname 0.4206 3 F2 25.3396 -28.1911 3.9271 F 1 noname -0.1659 4 F3 26.3466 -27.5882 2.0291 F 1 noname -0.1659 5 C2 24.0536 -28.0751 1.9692 C.2 1 noname 0.0101 6 C3 24.0586 -29.4201 1.5433 C.2 1 noname 0.0697 7 C4 22.9206 -27.3181 1.6113 C.2 1 noname 0.0404 8 N1 23.0146 -29.9120 0.8353 N.2 1 noname -0.2306 9 N2 25.0996 -30.2350 1.8333 N.3 1 noname -0.0991 10 N3 21.9106 -27.8701 0.8983 N.2 1 noname -0.2542 11 C5 21.9406 -29.1600 0.4994 C.2 1 noname 0.0858 12 C6 25.1545 -31.5919 1.4234 C.3 1 noname -0.0101 13 N4 20.8936 -29.6469 -0.2035 N.3 1 noname 0.0438 14 C7 20.8016 -30.9178 -0.6564 C.2 1 noname 0.0160 15 C8 21.6425 -31.6038 -1.5263 C.2 1 noname -0.0974 16 C9 19.7795 -31.8057 -0.3674 C.2 1 noname 0.0394 17 N5 21.1264 -32.8417 -1.6873 N.3 1 noname -0.0457 18 C10 22.8364 -31.0488 -2.1803 C.3 1 noname 0.0152 19 N6 20.0235 -32.9577 -1.0083 N.2 1 noname -0.3031 20 C11 21.6904 -33.8876 -2.4802 C.3 1 noname -0.0249 21 C12 22.9793 -34.4256 -1.8272 C.3 1 noname -0.0088 22 C13 20.7114 -35.0646 -2.6682 C.3 1 noname -0.0088 23 C14 23.5693 -35.5575 -2.6811 C.3 1 noname 0.0485 24 C15 21.3733 -36.1705 -3.5011 C.3 1 noname 0.0485 25 O1 22.5902 -36.5764 -2.8781 O.3 1 noname -0.3811 26 H1 22.8476 -26.3391 1.8853 H 1 noname 0.0848 27 H2 25.8445 -29.8780 2.3424 H 1 noname 0.1293 28 H3 25.1255 -31.6569 0.3344 H 1 noname 0.0396 29 H4 24.3115 -32.1439 1.8424 H 1 noname 0.0396 30 H5 26.0834 -32.0349 1.7814 H 1 noname 0.0396 31 H6 20.1395 -29.0569 -0.3504 H 1 noname 0.1374 32 H7 18.9785 -31.6187 0.2366 H 1 noname 0.0874 33 H8 23.2333 -31.7477 -2.9142 H 1 noname 0.0294 34 H9 22.5734 -30.1208 -2.6892 H 1 noname 0.0294 35 H10 23.6063 -30.8447 -1.4373 H 1 noname 0.0294 36 H11 21.9253 -33.4946 -3.4711 H 1 noname 0.0528 37 H12 22.7483 -34.8115 -0.8342 H 1 noname 0.0310 38 H13 23.7182 -33.6305 -1.7341 H 1 noname 0.0310 39 H14 20.4343 -35.4715 -1.6942 H 1 noname 0.0310 40 H15 19.8133 -34.7155 -3.1782 H 1 noname 0.0310 41 H16 23.8852 -35.1615 -3.6471 H 1 noname 0.0567 42 H17 24.4322 -35.9835 -2.1711 H 1 noname 0.0567 43 H18 21.5802 -35.7995 -4.5060 H 1 noname 0.0567 44 H19 20.7003 -37.0254 -3.5681 H 1 noname 0.0567 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 9 1 9 7 10 2 10 7 26 1 11 8 11 2 12 9 12 1 13 9 27 1 14 10 11 1 15 11 13 1 16 12 28 1 17 12 29 1 18 12 30 1 19 13 14 1 20 13 31 1 21 14 15 2 22 14 16 1 23 15 17 1 24 15 18 1 25 16 19 2 26 16 32 1 27 17 20 1 28 17 19 1 29 18 33 1 30 18 34 1 31 18 35 1 32 20 21 1 33 20 22 1 34 20 36 1 35 21 23 1 36 21 37 1 37 21 38 1 38 22 24 1 39 22 39 1 40 22 40 1 41 23 25 1 42 23 41 1 43 23 42 1 44 24 25 1 45 24 43 1 46 24 44 1 @SUBSTRUCTURE 1 noname 1