@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3297 30 32 1 SMALL USER_CHARGES @ATOM 1 Br1 2.8265 4.5960 6.2789 Br 1 noname -0.0507 2 C1 2.5725 4.9000 4.4600 C.2 1 noname -0.0249 3 C2 1.6425 4.1290 3.7371 C.2 1 noname -0.0324 4 C3 3.3054 5.9060 3.8031 C.2 1 noname -0.0570 5 C4 1.4504 4.3451 2.3552 C.2 1 noname -0.0232 6 C5 3.1054 6.1400 2.4332 C.2 1 noname -0.0547 7 N1 0.5524 3.6502 1.6083 N.3 1 noname 0.0056 8 C6 2.1783 5.3651 1.7153 C.2 1 noname -0.0552 9 C7 0.3094 2.3103 1.6524 C.2 1 noname 0.0395 10 N2 0.9973 1.5034 2.5024 N.2 1 noname -0.2557 11 C8 -0.6545 1.7344 0.7955 C.2 1 noname -0.0313 12 C9 0.7932 0.1685 2.5735 C.2 1 noname 0.0446 13 C10 -0.8476 0.3325 0.8855 C.2 1 noname 0.0517 14 C11 -1.4206 2.4764 -0.1303 C.2 1 noname -0.0186 15 N3 -0.1257 -0.4013 1.7646 N.2 1 noname -0.2652 16 C12 -1.7906 -0.3073 0.0626 C.2 1 noname -0.0055 17 C13 -2.3596 1.8305 -0.9522 C.2 1 noname -0.0471 18 C14 -2.5456 0.4406 -0.8572 C.2 1 noname -0.0062 19 N4 -3.4436 -0.1732 -1.6451 N.3 1 noname -0.1519 20 H1 1.0975 3.4101 4.2162 H 1 noname 0.0651 21 H2 3.9823 6.4731 4.3152 H 1 noname 0.0634 22 H3 3.6323 6.8741 1.9593 H 1 noname 0.0623 23 H4 0.0684 4.1582 0.9394 H 1 noname 0.1357 24 H5 2.0393 5.5461 0.7204 H 1 noname 0.0639 25 H6 1.3291 -0.4003 3.2285 H 1 noname 0.1062 26 H7 -1.3016 3.4864 -0.2153 H 1 noname 0.0631 27 H8 -1.9247 -1.3173 0.1327 H 1 noname 0.0662 28 H9 -2.9067 2.3765 -1.6191 H 1 noname 0.0639 29 H10 -3.9656 0.3417 -2.2801 H 1 noname 0.1242 30 H11 -3.5717 -1.1321 -1.5811 H 1 noname 0.1242 @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 17 28 1 30 18 19 1 31 19 29 1 32 19 30 1 @SUBSTRUCTURE 1 noname 1