@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3292 32 34 1 SMALL USER_CHARGES @ATOM 1 Br1 2.3887 2.3001 5.9348 Br 1 noname -0.0507 2 C1 2.0626 2.7732 4.1638 C.2 1 noname -0.0249 3 C2 1.0225 2.1522 3.4468 C.2 1 noname -0.0322 4 C3 2.8515 3.7562 3.5378 C.2 1 noname -0.0569 5 C4 0.7735 2.4972 2.1008 C.2 1 noname -0.0232 6 C5 2.5965 4.1173 2.2049 C.2 1 noname -0.0547 7 N1 -0.2345 1.9483 1.3749 N.3 1 noname 0.0092 8 C6 1.5584 3.4953 1.4919 C.2 1 noname -0.0551 9 C7 -0.5436 0.6243 1.2790 C.2 1 noname 0.0605 10 N2 0.2193 -0.2846 1.9420 N.2 1 noname -0.2421 11 C8 -1.6327 0.1713 0.4930 C.2 1 noname -0.0051 12 C9 -0.0097 -1.6135 1.8961 C.2 1 noname 0.0565 13 C10 -2.5027 1.0144 -0.2489 C.2 1 noname 0.0338 14 C11 -1.8467 -1.2335 0.4680 C.2 1 noname 0.0721 15 N3 -1.0417 -2.0735 1.1591 N.2 1 noname -0.2523 16 O1 -2.3078 2.3695 -0.2308 O.3 1 noname -0.2700 17 C12 -3.5568 0.4385 -0.9918 C.2 1 noname -0.0176 18 C13 -2.9008 -1.7855 -0.2778 C.2 1 noname -0.0133 19 C14 -3.1399 3.3025 -0.9247 C.3 1 noname 0.0423 20 C15 -3.7559 -0.9494 -1.0078 C.2 1 noname -0.0250 21 H1 0.4385 1.4483 3.9019 H 1 noname 0.0651 22 H2 3.6085 4.2143 4.0469 H 1 noname 0.0634 23 H3 3.1664 4.8343 1.7539 H 1 noname 0.0623 24 H4 -0.7566 2.5633 0.8409 H 1 noname 0.1357 25 H5 1.3784 3.7684 0.5249 H 1 noname 0.0639 26 H6 0.5882 -2.2605 2.4102 H 1 noname 0.1062 27 H7 -4.1899 1.0295 -1.5298 H 1 noname 0.0650 28 H8 -3.0468 -2.7954 -0.2888 H 1 noname 0.0645 29 H9 -2.7669 4.3106 -0.7417 H 1 noname 0.0535 30 H10 -3.1139 3.1076 -1.9977 H 1 noname 0.0535 31 H11 -4.1670 3.2366 -0.5627 H 1 noname 0.0535 32 H12 -4.5220 -1.3504 -1.5497 H 1 noname 0.0624 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 21 1 6 4 6 2 7 4 22 1 8 5 7 1 9 5 8 2 10 6 8 1 11 6 23 1 12 7 9 1 13 7 24 1 14 8 25 1 15 9 10 2 16 9 11 1 17 10 12 1 18 11 13 2 19 11 14 1 20 12 15 2 21 12 26 1 22 13 16 1 23 13 17 1 24 14 18 2 25 14 15 1 26 16 19 1 27 17 20 2 28 17 27 1 29 18 20 1 30 18 28 1 31 19 29 1 32 19 30 1 33 19 31 1 34 20 32 1 @SUBSTRUCTURE 1 noname 1