@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442774 38 40 1 SMALL USER_CHARGES @ATOM 1 F1 27.5115 -13.0693 -3.9612 F 1 noname -0.1655 2 C1 27.2524 -12.4762 -2.8302 C.2 1 noname 0.0234 3 C2 26.3634 -11.3882 -2.7921 C.2 1 noname -0.0050 4 C3 27.8634 -12.9222 -1.6452 C.2 1 noname -0.0050 5 C4 26.0854 -10.7482 -1.5721 C.2 1 noname -0.0324 6 C5 27.5844 -12.2812 -0.4262 C.2 1 noname -0.0324 7 C6 26.6923 -11.1891 -0.3771 C.2 1 noname -0.0448 8 C7 26.3923 -10.5191 0.9098 C.3 1 noname 0.0875 9 O1 27.6152 -10.0361 1.4548 O.3 1 noname -0.3876 10 C8 25.7002 -11.4500 1.9418 C.3 1 noname 0.0325 11 C9 24.4162 -12.0050 1.4339 C.2 1 noname -0.0526 12 C10 25.4872 -10.6930 3.2738 C.3 1 noname -0.0033 13 C11 23.3442 -11.1569 1.0829 C.2 1 noname -0.0575 14 C12 24.2512 -13.3999 1.3009 C.2 1 noname -0.0575 15 N1 24.9372 -11.5410 4.2738 N.3 1 noname 0.0217 16 C13 22.1342 -11.6909 0.6089 C.2 1 noname -0.0609 17 C14 23.0422 -13.9368 0.8270 C.2 1 noname -0.0609 18 N2 25.5101 -12.6099 4.7319 N.2 1 noname -0.2171 19 C15 23.7592 -11.3829 4.8898 C.2 1 noname -0.0261 20 C16 21.9831 -13.0818 0.4810 C.2 1 noname -0.0639 21 N3 24.7641 -13.1779 5.6299 N.2 1 noname -0.1615 22 C17 23.6511 -12.4449 5.7649 C.2 1 noname 0.0570 23 H1 25.9154 -11.0602 -3.6491 H 1 noname 0.0653 24 H2 28.5093 -13.7121 -1.6661 H 1 noname 0.0653 25 H3 25.4353 -9.9622 -1.5541 H 1 noname 0.0627 26 H4 28.0323 -12.6111 0.4297 H 1 noname 0.0627 27 H5 25.7512 -9.6511 0.7398 H 1 noname 0.0658 28 H6 28.1052 -9.4221 0.8688 H 1 noname 0.2109 29 H7 26.3902 -12.2689 2.1578 H 1 noname 0.0399 30 H8 24.8452 -9.8260 3.1068 H 1 noname 0.0498 31 H9 26.4522 -10.3330 3.6348 H 1 noname 0.0498 32 H10 23.4422 -10.1449 1.1729 H 1 noname 0.0625 33 H11 25.0141 -14.0298 1.5529 H 1 noname 0.0625 34 H12 21.3642 -11.0688 0.3590 H 1 noname 0.0622 35 H13 22.9341 -14.9468 0.7360 H 1 noname 0.0622 36 H14 23.0792 -10.6369 4.7399 H 1 noname 0.0826 37 H15 21.1051 -13.4707 0.1370 H 1 noname 0.0622 38 H16 22.8711 -12.6368 6.3949 H 1 noname 0.0873 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 23 1 6 4 6 2 7 4 24 1 8 5 7 2 9 5 25 1 10 6 7 1 11 6 26 1 12 7 8 1 13 8 9 1 14 8 10 1 15 8 27 1 16 9 28 1 17 10 11 1 18 10 12 1 19 10 29 1 20 11 13 2 21 11 14 1 22 12 15 1 23 12 30 1 24 12 31 1 25 13 16 1 26 13 32 1 27 14 17 2 28 14 33 1 29 15 18 1 30 15 19 1 31 16 20 2 32 16 34 1 33 17 20 1 34 17 35 1 35 18 21 2 36 19 22 2 37 19 36 1 38 20 37 1 39 21 22 1 40 22 38 1 @SUBSTRUCTURE 1 noname 1