@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3268 27 29 1 SMALL USER_CHARGES @ATOM 1 Br1 -0.9737 2.1253 -5.7633 Br 1 noname -0.0507 2 C1 -0.5577 2.7743 -4.0693 C.2 1 noname -0.0116 3 C2 -1.0217 2.1034 -2.9213 C.2 1 noname 0.0045 4 C3 0.2191 3.9393 -3.9292 C.2 1 noname -0.0397 5 C4 -0.7008 2.5824 -1.6323 C.2 1 noname 0.0132 6 C5 0.5260 4.4314 -2.6502 C.2 1 noname -0.0416 7 O1 -1.1388 1.9935 -0.4793 O.3 1 noname -0.1740 8 C6 0.0640 3.7564 -1.5072 C.2 1 noname -0.0185 9 C7 -1.2179 0.6416 -0.2773 C.2 1 noname 0.0759 10 N1 -0.5510 -0.2332 -1.0732 N.2 1 noname -0.1959 11 C8 -1.9839 0.1487 0.7976 C.2 1 noname 0.0209 12 C9 -0.6020 -1.5711 -0.8841 C.2 1 noname 0.0595 13 C10 -2.0240 -1.2561 0.9747 C.2 1 noname 0.0628 14 C11 -2.6989 0.9837 1.6806 C.2 1 noname -0.0093 15 N2 -1.3380 -2.0680 0.1358 N.2 1 noname -0.2248 16 C12 -2.7750 -1.8110 2.0267 C.2 1 noname -0.0049 17 C13 -3.4470 0.4217 2.7306 C.2 1 noname -0.0484 18 C14 -3.4851 -0.9720 2.9027 C.2 1 noname -0.0326 19 H1 -1.5968 1.2655 -3.0172 H 1 noname 0.0662 20 H2 0.5610 4.4363 -4.7532 H 1 noname 0.0634 21 H3 1.0849 5.2794 -2.5502 H 1 noname 0.0623 22 H4 0.2869 4.1205 -0.5802 H 1 noname 0.0650 23 H5 -0.0900 -2.1990 -1.5041 H 1 noname 0.1062 24 H6 -2.6799 1.9977 1.5657 H 1 noname 0.0631 25 H7 -2.8061 -2.8229 2.1557 H 1 noname 0.0645 26 H8 -3.9620 1.0278 3.3687 H 1 noname 0.0622 27 H9 -4.0301 -1.3759 3.6657 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 19 1 6 4 6 2 7 4 20 1 8 5 7 1 9 5 8 2 10 6 8 1 11 6 21 1 12 7 9 1 13 8 22 1 14 9 10 2 15 9 11 1 16 10 12 1 17 11 13 1 18 11 14 2 19 12 15 2 20 12 23 1 21 13 16 2 22 13 15 1 23 14 17 1 24 14 24 1 25 16 18 1 26 16 25 1 27 17 18 2 28 17 26 1 29 18 27 1 @SUBSTRUCTURE 1 noname 1