@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3309 29 31 1 SMALL USER_CHARGES @ATOM 1 Br1 -0.7913 9.7908 2.5515 Br 1 noname -0.0507 2 C1 -1.6434 8.3938 3.4386 C.2 1 noname -0.0249 3 C2 -2.3355 7.4088 2.7086 C.2 1 noname -0.0323 4 C3 -1.5944 8.3149 4.8437 C.2 1 noname -0.0570 5 C4 -2.9926 6.3518 3.3747 C.2 1 noname -0.0232 6 C5 -2.2305 7.2549 5.5108 C.2 1 noname -0.0547 7 N1 -3.6526 5.3618 2.7197 N.3 1 noname 0.0083 8 C6 -2.9216 6.2759 4.7778 C.2 1 noname -0.0551 9 C7 -4.5217 5.5119 1.6816 C.2 1 noname 0.0583 10 N2 -4.8218 6.7430 1.1927 N.2 1 noname -0.2177 11 C8 -5.1418 4.3829 1.1057 C.2 1 noname 0.0028 12 C9 -5.6869 6.9350 0.1697 C.2 1 noname 0.0594 13 C10 -6.0439 4.6049 0.0367 C.2 1 noname 0.0249 14 C11 -4.9228 3.0558 1.5237 C.2 1 noname 0.0256 15 N3 -6.2870 5.8640 -0.3962 N.2 1 noname -0.2357 16 C12 -6.6960 3.5249 -0.5812 C.2 1 noname 0.0085 17 N4 -5.5699 2.0368 0.9067 N.2 1 noname -0.2577 18 C13 -6.4380 2.2259 -0.1172 C.2 1 noname 0.0377 19 N5 -7.0381 1.1649 -0.6712 N.3 1 noname -0.1172 20 H1 -2.3615 7.4558 1.6886 H 1 noname 0.0651 21 H2 -1.0954 9.0219 5.3858 H 1 noname 0.0634 22 H3 -2.1896 7.1959 6.5289 H 1 noname 0.0623 23 H4 -3.5257 4.4628 3.0587 H 1 noname 0.1357 24 H5 -3.3777 5.5079 5.2728 H 1 noname 0.0639 25 H6 -5.8839 7.8761 -0.1692 H 1 noname 0.1062 26 H7 -4.2808 2.8469 2.2898 H 1 noname 0.0848 27 H8 -7.3470 3.6830 -1.3512 H 1 noname 0.0679 28 H9 -6.8481 0.2759 -0.3361 H 1 noname 0.1257 29 H10 -7.6621 1.2849 -1.4042 H 1 noname 0.1257 @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 18 2 29 18 19 1 30 19 28 1 31 19 29 1 @SUBSTRUCTURE 1 noname 1