@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3601 27 29 1 SMALL USER_CHARGES @ATOM 1 Br1 -3.3849 8.2981 6.5096 Br 1 noname -0.0507 2 C1 -2.2089 7.3831 5.3935 C.2 1 noname -0.0249 3 C2 -2.6990 6.4351 4.4755 C.2 1 noname -0.0323 4 C3 -0.8259 7.6322 5.4676 C.2 1 noname -0.0570 5 C4 -1.8160 5.7421 3.6195 C.2 1 noname -0.0232 6 C5 0.0600 6.9332 4.6316 C.2 1 noname -0.0547 7 N1 -2.2350 4.8012 2.7345 N.3 1 noname 0.0079 8 C6 -0.4330 5.9892 3.7156 C.2 1 noname -0.0552 9 C7 -3.2911 4.9042 1.8795 C.2 1 noname 0.0611 10 N2 -4.0382 6.0393 1.8346 N.2 1 noname -0.2179 11 C8 -3.6172 3.8352 1.0165 C.2 1 noname 0.0312 12 C9 -5.0913 6.1914 1.0006 C.2 1 noname 0.0602 13 C10 -4.7263 4.0213 0.1545 C.2 1 noname 0.0413 14 C11 -2.9062 2.6172 0.9776 C.2 1 noname 0.0385 15 N3 -5.4264 5.1803 0.1686 N.2 1 noname -0.2310 16 C12 -5.0914 2.9843 -0.7194 C.2 1 noname 0.0518 17 C13 -3.3143 1.6132 0.0816 C.2 1 noname 0.0552 18 N4 -4.3814 1.8292 -0.7273 N.2 1 noname -0.2086 19 Cl1 -2.4942 0.1391 -0.0043 Cl 1 noname -0.0406 20 H1 -3.7011 6.2422 4.4286 H 1 noname 0.0651 21 H2 -0.4569 8.3173 6.1296 H 1 noname 0.0634 22 H3 1.0631 7.1102 4.6907 H 1 noname 0.0623 23 H4 -1.7020 3.9931 2.6785 H 1 noname 0.1357 24 H5 0.2199 5.4842 3.1146 H 1 noname 0.0639 25 H6 -5.6274 7.0595 0.9996 H 1 noname 0.1062 26 H7 -2.1042 2.4602 1.5906 H 1 noname 0.0663 27 H8 -5.8874 3.0973 -1.3484 H 1 noname 0.0863 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 20 1 6 4 6 2 7 4 21 1 8 5 7 1 9 5 8 2 10 6 8 1 11 6 22 1 12 7 9 1 13 7 23 1 14 8 24 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 25 1 22 13 16 2 23 13 15 1 24 14 17 1 25 14 26 1 26 16 18 1 27 16 27 1 28 17 19 1 29 17 18 2 @SUBSTRUCTURE 1 noname 1