@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3313 32 34 1 SMALL USER_CHARGES @ATOM 1 F1 7.2120 7.2991 0.5201 F 1 noname -0.1661 2 C1 7.2870 6.0752 1.1411 C.3 1 noname 0.4161 3 F2 7.7229 6.3042 2.4261 F 1 noname -0.1661 4 F3 8.2569 5.3302 0.5152 F 1 noname -0.1661 5 C2 5.9749 5.3802 1.0602 C.2 1 noname -0.0333 6 C3 5.4169 5.0923 -0.2067 C.2 1 noname -0.0287 7 C4 5.2529 4.9923 2.2122 C.2 1 noname -0.0287 8 C5 4.1789 4.4383 -0.3206 C.2 1 noname -0.0473 9 C6 4.0138 4.3383 2.1012 C.2 1 noname -0.0473 10 C7 3.4748 4.0554 0.8343 C.2 1 noname -0.0283 11 N1 2.2768 3.4374 0.7283 N.3 1 noname 0.0075 12 C8 2.1188 2.0884 0.6583 C.2 1 noname 0.0583 13 N2 3.1987 1.2645 0.6884 N.2 1 noname -0.2177 14 C9 0.8307 1.5225 0.5544 C.2 1 noname 0.0028 15 C10 3.0906 -0.0814 0.6224 C.2 1 noname 0.0594 16 C11 0.7407 0.1115 0.4874 C.2 1 noname 0.0249 17 C12 -0.3632 2.2675 0.5144 C.2 1 noname 0.0256 18 N3 1.8646 -0.6433 0.5225 N.2 1 noname -0.2357 19 C13 -0.5103 -0.5173 0.3835 C.2 1 noname 0.0085 20 N4 -1.5553 1.6276 0.4145 N.2 1 noname -0.2577 21 C14 -1.6653 0.2786 0.3495 C.2 1 noname 0.0377 22 N5 -2.8793 -0.2763 0.2515 N.3 1 noname -0.1172 23 H1 5.9169 5.3623 -1.0547 H 1 noname 0.0629 24 H2 5.6258 5.1843 3.1412 H 1 noname 0.0629 25 H3 3.7928 4.2413 -1.2446 H 1 noname 0.0639 26 H4 3.5078 4.0674 2.9453 H 1 noname 0.0639 27 H5 1.4848 3.9944 0.7044 H 1 noname 0.1357 28 H6 3.9256 -0.6673 0.6485 H 1 noname 0.1062 29 H7 -0.3473 3.2876 0.5605 H 1 noname 0.0848 30 H8 -0.5773 -1.5353 0.3345 H 1 noname 0.0679 31 H9 -2.9734 -1.2402 0.2036 H 1 noname 0.1257 32 H10 -3.6664 0.2897 0.2286 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 23 1 9 7 9 2 10 7 24 1 11 8 10 2 12 8 25 1 13 9 10 1 14 9 26 1 15 10 11 1 16 11 12 1 17 11 27 1 18 12 13 2 19 12 14 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