@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3353 44 47 1 SMALL USER_CHARGES @ATOM 1 Se1 0.0000 0.0000 0.0000 Se 1 noname -0.0481 2 Se2 1.5203 0.0121 0.0000 Se 1 noname -0.0481 3 C1 -1.5444 0.0121 0.0000 C.2 1 noname -0.0061 4 C2 3.0406 0.0241 0.0000 C.2 1 noname -0.0061 5 N1 -2.4614 -1.2186 0.0000 N.3 1 noname 0.0063 6 C3 -2.4614 1.2670 0.0000 C.2 1 noname 0.0433 7 N2 3.4388 -1.4358 0.0000 N.3 1 noname 0.0063 8 C4 4.3076 0.8808 0.0000 C.2 1 noname 0.0433 9 C5 -3.9335 -0.7360 0.0000 C.2 1 noname -0.0593 10 C6 -2.0030 -2.6666 0.0000 C.3 1 noname -0.0512 11 C7 -3.9335 0.8084 0.0000 C.2 1 noname 0.0001 12 C8 -2.0030 2.7390 0.0000 C.2 1 noname 0.1010 13 C9 4.9592 -1.4841 0.0000 C.2 1 noname -0.0593 14 C10 2.4735 -2.6304 0.0000 C.3 1 noname -0.0512 15 C11 5.5022 -0.0603 0.0000 C.2 1 noname 0.0001 16 C12 4.3558 2.4252 0.0000 C.2 1 noname 0.1010 17 C13 -5.2729 -1.4961 0.0000 C.2 1 noname -0.0402 18 C14 -5.2729 1.5927 0.0000 C.2 1 noname -0.0312 19 O1 -0.5188 3.0648 0.0000 O.2 1 noname -0.2558 20 O2 -3.0406 3.8853 0.0000 O.3 1 noname -0.2165 21 C15 5.9244 -2.6545 0.0000 C.2 1 noname -0.0402 22 C16 6.9984 0.2051 0.0000 C.2 1 noname -0.0312 23 O3 3.0165 3.1975 0.0000 O.2 1 noname -0.2558 24 O4 5.4298 3.5233 0.0000 O.3 1 noname -0.2165 25 C17 -6.6122 -0.7119 0.0000 C.2 1 noname -0.0507 26 C18 -6.6122 0.8325 0.0000 C.2 1 noname -0.0528 27 C19 7.4207 -2.3891 0.0000 C.2 1 noname -0.0507 28 C20 7.9637 -0.9653 0.0000 C.2 1 noname -0.0528 29 H1 -3.4711 -3.1315 0.0000 H 1 noname 0.0436 30 H2 -1.5381 -4.1348 0.0000 H 1 noname 0.0436 31 H3 -0.5348 -2.2017 0.0000 H 1 noname 0.0436 32 H4 1.2757 -1.6625 0.0000 H 1 noname 0.0436 33 H5 1.5056 -3.8282 0.0000 H 1 noname 0.0436 34 H6 3.6713 -3.5983 0.0000 H 1 noname 0.0436 35 H7 -5.2833 -3.0361 0.0000 H 1 noname 0.0642 36 H8 -5.2625 3.1327 0.0000 H 1 noname 0.0629 37 H9 -2.5686 5.3512 0.0000 H 1 noname 0.2216 38 H10 5.3924 -4.0997 0.0000 H 1 noname 0.0642 39 H11 7.5305 1.6502 0.0000 H 1 noname 0.0629 40 H12 6.9216 3.1413 0.0000 H 1 noname 0.2216 41 H13 -7.9482 -1.4778 0.0000 H 1 noname 0.0623 42 H14 -7.9431 1.6074 0.0000 H 1 noname 0.0622 43 H15 8.4022 -3.5758 0.0000 H 1 noname 0.0623 44 H16 9.4834 -0.7159 0.0000 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 3 5 1 5 3 6 2 6 4 7 1 7 4 8 2 8 5 9 1 9 5 10 1 10 6 11 1 11 6 12 1 12 7 13 1 13 7 14 1 14 8 15 1 15 8 16 1 16 9 17 1 17 9 11 2 18 11 18 1 19 12 19 2 20 12 20 1 21 13 21 1 22 13 15 2 23 15 22 1 24 16 23 2 25 16 24 1 26 17 25 2 27 18 26 2 28 21 27 2 29 22 28 2 30 25 26 1 31 27 28 1 32 10 29 1 33 10 30 1 34 10 31 1 35 14 32 1 36 14 33 1 37 14 34 1 38 17 35 1 39 18 36 1 40 20 37 1 41 21 38 1 42 22 39 1 43 24 40 1 44 25 41 1 45 26 42 1 46 27 43 1 47 28 44 1 @SUBSTRUCTURE 1 noname 1