@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442771 43 45 1 SMALL USER_CHARGES @ATOM 1 F1 5.6928 -18.9170 -3.9388 F 1 noname -0.1655 2 C1 5.4128 -18.2950 -2.8287 C.2 1 noname 0.0234 3 C2 6.0358 -18.6789 -1.6287 C.2 1 noname -0.0049 4 C3 4.4868 -17.2369 -2.8287 C.2 1 noname -0.0049 5 C4 5.7317 -18.0069 -0.4316 C.2 1 noname -0.0322 6 C5 4.1837 -16.5669 -1.6307 C.2 1 noname -0.0322 7 C6 4.8007 -16.9468 -0.4216 C.2 1 noname -0.0444 8 C7 4.4727 -16.2438 0.8454 C.3 1 noname 0.1007 9 O1 5.6686 -15.7057 1.4274 O.3 1 noname -0.2016 10 C8 3.8016 -17.1777 1.8904 C.3 1 noname 0.0328 11 C9 6.2606 -14.6287 0.9125 C.2 1 noname 0.1408 12 C10 2.5436 -17.7907 1.3825 C.2 1 noname -0.0516 13 C11 3.5446 -16.3987 3.2025 C.3 1 noname 0.0454 14 O2 5.7745 -14.0137 -0.0254 O.2 1 noname -0.2547 15 C12 7.4856 -14.1767 1.4985 C.3 1 noname 0.0221 16 C13 1.4475 -16.9897 0.9995 C.2 1 noname -0.0551 17 C14 2.4315 -19.1937 1.2795 C.2 1 noname -0.0551 18 N1 3.0185 -17.2437 4.2175 N.3 1 noname 0.0217 19 C15 0.2635 -17.5777 0.5216 C.2 1 noname -0.0600 20 C16 1.2485 -19.7836 0.8026 C.2 1 noname -0.0600 21 N2 3.6295 -18.2776 4.7055 N.2 1 noname -0.2170 22 C17 1.8305 -17.1166 4.8215 C.2 1 noname -0.0261 23 C18 0.1635 -18.9756 0.4236 C.2 1 noname -0.0615 24 N3 2.8985 -18.8526 5.6116 N.2 1 noname -0.1615 25 C19 1.7574 -18.1606 5.7216 C.2 1 noname 0.0570 26 H1 6.7107 -19.4449 -1.6226 H 1 noname 0.0653 27 H2 4.0307 -16.9529 -3.6976 H 1 noname 0.0653 28 H3 6.1897 -18.2908 0.4343 H 1 noname 0.0627 29 H4 3.5086 -15.8018 -1.6406 H 1 noname 0.0627 30 H5 3.7856 -15.4147 0.6504 H 1 noname 0.0668 31 H6 4.5176 -17.9657 2.1345 H 1 noname 0.0399 32 H7 2.8706 -15.5617 3.0085 H 1 noname 0.0498 33 H8 4.4895 -15.9927 3.5655 H 1 noname 0.0498 34 H9 7.8465 -13.2866 0.9815 H 1 noname 0.0336 35 H10 7.3175 -13.9386 2.5486 H 1 noname 0.0336 36 H11 8.2345 -14.9646 1.4216 H 1 noname 0.0336 37 H12 1.5085 -15.9736 1.0666 H 1 noname 0.0625 38 H13 3.2135 -19.7897 1.5535 H 1 noname 0.0625 39 H14 -0.5234 -16.9896 0.2466 H 1 noname 0.0622 40 H15 1.1764 -20.7986 0.7326 H 1 noname 0.0622 41 H16 1.1234 -16.4016 4.6496 H 1 noname 0.0826 42 H17 -0.6955 -19.4026 0.0776 H 1 noname 0.0622 43 H18 0.9814 -18.3676 6.3506 H 1 noname 0.0873 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 26 1 6 4 6 2 7 4 27 1 8 5 7 2 9 5 28 1 10 6 7 1 11 6 29 1 12 7 8 1 13 8 9 1 14 8 10 1 15 8 30 1 16 9 11 1 17 10 12 1 18 10 13 1 19 10 31 1 20 11 14 2 21 11 15 1 22 12 16 2 23 12 17 1 24 13 18 1 25 13 32 1 26 13 33 1 27 15 34 1 28 15 35 1 29 15 36 1 30 16 19 1 31 16 37 1 32 17 20 2 33 17 38 1 34 18 21 1 35 18 22 1 36 19 23 2 37 19 39 1 38 20 23 1 39 20 40 1 40 21 24 2 41 22 25 2 42 22 41 1 43 23 42 1 44 24 25 1 45 25 43 1 @SUBSTRUCTURE 1 noname 1