@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3525 30 32 1 SMALL USER_CHARGES @ATOM 1 F1 1.8858 5.5791 5.8371 F 1 noname -0.1649 2 C1 2.1158 5.3411 4.5762 C.2 1 noname 0.0207 3 C2 1.1627 4.6512 3.8052 C.2 1 noname -0.0066 4 C3 3.3147 5.7772 3.9852 C.2 1 noname -0.0307 5 C4 1.4097 4.3902 2.4442 C.2 1 noname -0.0152 6 C5 3.5617 5.5223 2.6252 C.2 1 noname -0.0467 7 N1 0.4866 3.7382 1.7013 N.3 1 noname 0.0077 8 C6 2.6097 4.8322 1.8543 C.2 1 noname -0.0602 9 C7 0.4336 2.3863 1.5633 C.2 1 noname 0.0519 10 N2 1.3515 1.5973 2.1804 N.2 1 noname -0.2104 11 C8 -0.5734 1.7843 0.7784 C.2 1 noname 0.0199 12 C9 1.3425 0.2493 2.0744 C.2 1 noname 0.0552 13 C10 -0.5604 0.3713 0.6834 C.2 1 noname 0.0568 14 C11 -1.5744 2.5073 0.0974 C.2 1 noname 0.0038 15 N3 0.3874 -0.3486 1.3285 N.2 1 noname -0.2204 16 C12 -1.5345 -0.2945 -0.0805 C.2 1 noname 0.0653 17 C13 -2.5425 1.8314 -0.6635 C.2 1 noname 0.0260 18 C14 -2.5406 0.4224 -0.7664 C.2 1 noname 0.0534 19 N4 -3.4856 -0.2295 -1.5114 N.2 1 noname -0.0120 20 O1 -4.3316 0.3645 -2.1264 O.2 1 noname -0.1444 21 O2 -3.5177 -1.4324 -1.5873 O.3 1 noname -0.1444 22 H1 0.2917 4.3352 4.2342 H 1 noname 0.0670 23 H2 4.0087 6.2792 4.5412 H 1 noname 0.0653 24 H3 4.4317 5.8383 2.1963 H 1 noname 0.0624 25 H4 -0.1793 4.2723 1.2433 H 1 noname 0.1357 26 H5 2.7926 4.6503 0.8673 H 1 noname 0.0639 27 H6 2.0485 -0.3106 2.5535 H 1 noname 0.1062 28 H7 -1.6075 3.5264 0.1504 H 1 noname 0.0631 29 H8 -1.5105 -1.3135 -0.1384 H 1 noname 0.0670 30 H9 -3.2586 2.3744 -1.1474 H 1 noname 0.0647 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 22 1 6 4 6 2 7 4 23 1 8 5 7 1 9 5 8 2 10 6 8 1 11 6 24 1 12 7 9 1 13 7 25 1 14 8 26 1 15 9 10 2 16 9 11 1 17 10 12 1 18 11 13 1 19 11 14 2 20 12 15 2 21 12 27 1 22 13 16 2 23 13 15 1 24 14 17 1 25 14 28 1 26 16 18 1 27 16 29 1 28 17 18 2 29 17 30 1 30 18 19 1 31 19 20 2 32 19 21 1 @SUBSTRUCTURE 1 noname 1