@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3602 27 29 1 SMALL USER_CHARGES @ATOM 1 Br1 -3.4292 8.2793 6.6020 Br 1 noname -0.0507 2 C1 -2.2403 7.3823 5.4840 C.2 1 noname -0.0249 3 C2 -2.7193 6.4454 4.5490 C.2 1 noname -0.0323 4 C3 -0.8593 7.6344 5.5750 C.2 1 noname -0.0570 5 C4 -1.8253 5.7674 3.6910 C.2 1 noname -0.0232 6 C5 0.0376 6.9494 4.7391 C.2 1 noname -0.0547 7 N1 -2.2264 4.8354 2.7870 N.3 1 noname 0.0080 8 C6 -0.4443 6.0175 3.8051 C.2 1 noname -0.0552 9 C7 -3.2985 4.9175 1.9491 C.2 1 noname 0.0625 10 N2 -4.0965 6.0175 1.9461 N.2 1 noname -0.2178 11 C8 -3.5865 3.8615 1.0561 C.2 1 noname 0.0370 12 C9 -5.1666 6.1466 1.1302 C.2 1 noname 0.0601 13 C10 -4.7126 4.0225 0.2121 C.2 1 noname 0.0370 14 C11 -2.8215 2.6785 0.9711 C.2 1 noname 0.0601 15 N3 -5.4646 5.1466 0.2702 N.2 1 noname -0.2321 16 C12 -5.0406 2.9975 -0.6907 C.2 1 noname 0.0571 17 C13 -3.1946 1.6865 0.0492 C.2 1 noname 0.0920 18 N4 -4.2786 1.8755 -0.7417 N.2 1 noname -0.1886 19 F1 -2.5056 0.5865 -0.0497 F 1 noname -0.1282 20 H1 -3.7194 6.2504 4.4921 H 1 noname 0.0651 21 H2 -0.4983 8.3114 6.2501 H 1 noname 0.0634 22 H3 1.0396 7.1285 4.8101 H 1 noname 0.0623 23 H4 -1.6634 4.0514 2.7001 H 1 noname 0.1357 24 H5 0.2155 5.5225 3.2031 H 1 noname 0.0639 25 H6 -5.7416 6.9876 1.1622 H 1 noname 0.1062 26 H7 -2.0065 2.5345 1.5682 H 1 noname 0.0678 27 H8 -5.8477 3.0926 -1.3077 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