@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3744 32 35 1 SMALL USER_CHARGES @ATOM 1 Br1 2.0237 -2.1998 4.4031 Br 1 noname -0.0507 2 C1 1.6477 -0.3969 4.6751 C.2 1 noname -0.0248 3 C2 1.0777 0.3710 3.6412 C.2 1 noname -0.0321 4 C3 1.9276 0.2040 5.9171 C.2 1 noname -0.0568 5 C4 0.7936 1.7400 3.8373 C.2 1 noname -0.0232 6 C5 1.6326 1.5620 6.1231 C.2 1 noname -0.0547 7 N1 0.2216 2.5180 2.8834 N.3 1 noname 0.0073 8 C6 1.0636 2.3240 5.0892 C.2 1 noname -0.0550 9 C7 0.5596 2.5571 1.5695 C.2 1 noname 0.0411 10 N2 1.5575 1.8002 1.0316 N.2 1 noname -0.2243 11 C8 -0.1263 3.4231 0.7076 C.2 1 noname 0.0304 12 C9 1.8994 1.8513 -0.2841 C.2 1 noname 0.0256 13 N3 -1.1363 4.2851 0.9236 N.3 1 noname -0.0319 14 C10 0.2425 3.4571 -0.6352 C.2 1 noname 0.0257 15 N4 1.2383 2.6863 -1.1260 N.2 1 noname -0.2369 16 C11 -1.4344 4.8781 -0.2462 C.2 1 noname -0.0689 17 C12 -0.5904 4.3851 -1.2441 C.2 1 noname -0.0008 18 C13 -2.4074 5.8461 -0.5421 C.2 1 noname -0.0407 19 C14 -0.6815 4.8352 -2.5710 C.2 1 noname -0.0281 20 C15 -2.5124 6.3081 -1.8700 C.2 1 noname -0.0506 21 C16 -1.6565 5.8072 -2.8759 C.2 1 noname -0.0518 22 H1 0.8626 -0.0658 2.7443 H 1 noname 0.0651 23 H2 2.3406 -0.3398 6.6761 H 1 noname 0.0634 24 H3 1.8316 1.9950 7.0252 H 1 noname 0.0623 25 H4 -0.4623 3.1391 3.1784 H 1 noname 0.1358 26 H5 0.8495 3.3090 5.2503 H 1 noname 0.0639 27 H6 2.6543 1.2634 -0.6371 H 1 noname 0.1062 28 H7 -1.5753 4.4491 1.7726 H 1 noname 0.1529 29 H8 -3.0254 6.2061 0.1858 H 1 noname 0.0642 30 H9 -0.0606 4.4703 -3.2939 H 1 noname 0.0630 31 H10 -3.2134 7.0102 -2.1069 H 1 noname 0.0623 32 H11 -1.7445 6.1512 -3.8318 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 22 1 6 4 6 2 7 4 23 1 8 5 7 1 9 5 8 2 10 6 8 1 11 6 24 1 12 7 9 1 13 7 25 1 14 8 26 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 27 1 22 13 16 1 23 13 28 1 24 14 17 1 25 14 15 1 26 16 18 1 27 16 17 2 28 17 19 1 29 18 20 2 30 18 29 1 31 19 21 2 32 19 30 1 33 20 21 1 34 20 31 1 35 21 32 1 @SUBSTRUCTURE 1 noname 1