@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446993 49 53 1 SMALL USER_CHARGES @ATOM 1 F1 18.5521 -21.9031 -0.9567 F 1 noname -0.1490 2 C1 19.3800 -20.9011 -0.8646 C.2 1 noname 0.0914 3 C2 20.1230 -20.6730 0.3023 C.2 1 noname 0.0702 4 C3 19.5640 -20.0071 -1.9295 C.2 1 noname 0.0702 5 N1 20.9779 -19.6230 0.3693 N.2 1 noname -0.1930 6 N2 20.4319 -18.9740 -1.8065 N.2 1 noname -0.1930 7 C4 21.1438 -18.7690 -0.6705 C.2 1 noname 0.0640 8 C5 22.0768 -17.6350 -0.5704 C.3 1 noname 0.0715 9 N3 21.6697 -16.8000 0.5095 N.3 1 noname -0.0629 10 C6 23.5177 -18.1450 -0.3684 C.3 1 noname -0.0420 11 C7 22.1627 -15.5670 0.7325 C.2 1 noname 0.0780 12 N4 23.0996 -15.0170 -0.0863 N.2 1 noname -0.2716 13 N5 21.7036 -14.8590 1.7955 N.2 1 noname -0.2617 14 C8 23.6226 -13.7740 0.1016 C.2 1 noname 0.0397 15 C9 22.1876 -13.6180 2.0295 C.2 1 noname 0.0864 16 N6 24.5565 -13.2339 -0.7183 N.3 1 noname 0.0383 17 C10 23.1475 -13.0479 1.2026 C.2 1 noname -0.0589 18 N7 21.8856 -12.7439 3.0055 N.3 1 noname -0.0015 19 C11 25.0915 -13.8368 -1.8052 C.2 1 noname 0.0348 20 C12 23.4335 -11.7869 1.7066 C.2 1 noname -0.0331 21 C13 22.6295 -11.6329 2.8326 C.2 1 noname -0.1023 22 C14 20.9535 -12.9589 4.0516 C.3 1 noname -0.0408 23 N8 24.8524 -15.0778 -2.2651 N.2 1 noname -0.2137 24 C15 26.0144 -13.2408 -2.6531 C.2 1 noname -0.1114 25 C16 19.8145 -11.9689 4.3156 C.3 1 noname -0.0323 26 C17 19.5055 -13.3518 3.7416 C.3 1 noname -0.0323 27 C18 25.6074 -15.2387 -3.3640 C.2 1 noname -0.0438 28 N9 26.3194 -14.1267 -3.6101 N.3 1 noname -0.0743 29 C19 27.2223 -13.9387 -4.6890 C.3 1 noname -0.0673 30 H1 20.0239 -21.2960 1.1043 H 1 noname 0.0872 31 H2 19.0450 -20.1310 -2.7994 H 1 noname 0.0872 32 H3 22.0347 -17.0680 -1.5034 H 1 noname 0.0550 33 H4 20.9837 -17.1309 1.1105 H 1 noname 0.1320 34 H5 23.6006 -18.6689 0.5855 H 1 noname 0.0251 35 H6 24.2136 -17.3070 -0.3753 H 1 noname 0.0251 36 H7 23.7876 -18.8259 -1.1773 H 1 noname 0.0251 37 H8 24.8675 -12.3389 -0.5102 H 1 noname 0.1373 38 H9 24.0984 -11.1099 1.3317 H 1 noname 0.0644 39 H10 22.6074 -10.8069 3.4316 H 1 noname 0.0792 40 H11 21.4635 -13.4308 4.8926 H 1 noname 0.0509 41 H12 26.3913 -12.2968 -2.5621 H 1 noname 0.0825 42 H13 19.5305 -11.7278 5.3396 H 1 noname 0.0286 43 H14 19.6995 -11.0838 3.6896 H 1 noname 0.0286 44 H15 19.0055 -14.1007 4.3547 H 1 noname 0.0286 45 H16 19.1745 -13.4518 2.7077 H 1 noname 0.0286 46 H17 25.6333 -16.0876 -3.9300 H 1 noname 0.1015 47 H18 26.6932 -14.0576 -5.6349 H 1 noname 0.0436 48 H19 28.0212 -14.6796 -4.6310 H 1 noname 0.0436 49 H20 27.6652 -12.9417 -4.6559 H 1 noname 0.0436 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 30 1 6 4 6 2 7 4 31 1 8 5 7 2 9 6 7 1 10 7 8 1 11 8 9 1 12 8 10 1 13 8 32 1 14 9 11 1 15 9 33 1 16 10 34 1 17 10 35 1 18 10 36 1 19 11 12 2 20 11 13 1 21 12 14 1 22 13 15 2 23 14 16 1 24 14 17 2 25 15 18 1 26 15 17 1 27 16 19 1 28 16 37 1 29 17 20 1 30 18 21 1 31 18 22 1 32 19 23 1 33 19 24 2 34 20 21 2 35 20 38 1 36 21 39 1 37 22 25 1 38 22 26 1 39 22 40 1 40 23 27 2 41 24 28 1 42 24 41 1 43 25 26 1 44 25 42 1 45 25 43 1 46 26 44 1 47 26 45 1 48 27 28 1 49 27 46 1 50 28 29 1 51 29 47 1 52 29 48 1 53 29 49 1 @SUBSTRUCTURE 1 noname 1