@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3311 32 34 1 SMALL USER_CHARGES @ATOM 1 F1 2.0828 5.5610 -1.1278 F 1 noname -0.1660 2 C1 3.3367 5.0671 -1.3978 C.3 1 noname 0.4176 3 F2 3.9186 5.9451 -2.2827 F 1 noname -0.1660 4 F3 3.2007 3.8732 -2.0647 F 1 noname -0.1660 5 C2 4.0977 4.8712 -0.1307 C.2 1 noname -0.0110 6 C3 3.6156 3.9922 0.8732 C.2 1 noname 0.0020 7 C4 5.3176 5.5512 0.0992 C.2 1 noname -0.0290 8 N1 2.4346 3.3453 0.6792 N.3 1 noname 0.0145 9 C5 4.3316 3.8343 2.0792 C.2 1 noname -0.0489 10 C6 6.0325 5.3762 1.2952 C.2 1 noname -0.0740 11 C7 2.2106 2.0114 0.8362 C.2 1 noname 0.0583 12 C8 5.5375 4.5193 2.2872 C.2 1 noname -0.0602 13 N2 3.2055 1.1794 1.2423 N.2 1 noname -0.2174 14 C9 0.9386 1.4674 0.5633 C.2 1 noname 0.0031 15 C10 3.0255 -0.1514 1.4043 C.2 1 noname 0.0594 16 C11 0.7706 0.0735 0.7393 C.2 1 noname 0.0249 17 C12 -0.1703 2.2204 0.1264 C.2 1 noname 0.0256 18 N3 1.8105 -0.6893 1.1524 N.2 1 noname -0.2354 19 C13 -0.4703 -0.5323 0.4854 C.2 1 noname 0.0085 20 N4 -1.3533 1.6015 -0.1115 N.2 1 noname -0.2577 21 C14 -1.5363 0.2696 0.0515 C.2 1 noname 0.0377 22 N5 -2.7363 -0.2662 -0.2063 N.3 1 noname -0.1172 23 H1 5.6955 6.1842 -0.6067 H 1 noname 0.0629 24 H2 1.6976 3.8783 0.3433 H 1 noname 0.1357 25 H3 3.9745 3.2183 2.8102 H 1 noname 0.0639 26 H4 6.9105 5.8763 1.4432 H 1 noname 0.0622 27 H5 6.0514 4.3963 3.1602 H 1 noname 0.0623 28 H6 3.7974 -0.7423 1.7123 H 1 noname 0.1062 29 H7 -0.0964 3.2274 -0.0165 H 1 noname 0.0848 30 H8 -0.5934 -1.5382 0.6124 H 1 noname 0.0679 31 H9 -2.8794 -1.2181 -0.0953 H 1 noname 0.1257 32 H10 -3.4614 0.3027 -0.5073 H 1 noname 0.1257 @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 23 1 11 8 11 1 12 8 24 1 13 9 12 2 14 9 25 1 15 10 12 1 16 10 26 1 17 11 13 2 18 11 14 1 19 12 27 1 20 13 15 1 21 14 16 1 22 14 17 2 23 15 18 2 24 15 28 1 25 16 19 2 26 16 18 1 27 17 20 1 28 17 29 1 29 19 21 1 30 19 30 1 31 20 21 2 32 21 22 1 33 22 31 1 34 22 32 1 @SUBSTRUCTURE 1 noname 1