@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3356 46 49 1 SMALL USER_CHARGES @ATOM 1 Se1 0.0000 0.0000 0.0000 Se 1 noname -0.0521 2 Se2 1.5203 0.0120 0.0000 Se 1 noname -0.0521 3 C1 -1.5444 0.0120 0.0000 C.2 1 noname -0.0258 4 C2 3.0407 0.0240 0.0000 C.2 1 noname -0.0258 5 N1 -2.4615 -1.2187 0.0000 N.3 1 noname -0.0160 6 C3 -2.4615 1.2669 0.0000 C.2 1 noname 0.0361 7 N2 3.4389 -1.4359 0.0000 N.3 1 noname -0.0160 8 C4 4.3077 0.8808 0.0000 C.2 1 noname 0.0361 9 C5 -3.9337 -0.7360 0.0000 C.2 1 noname -0.0648 10 C6 -3.9337 0.8084 0.0000 C.2 1 noname -0.0040 11 C7 -2.0030 2.7390 0.0000 C.2 1 noname 0.0278 12 C8 4.9593 -1.4841 0.0000 C.2 1 noname -0.0648 13 C9 5.5022 -0.0603 0.0000 C.2 1 noname -0.0040 14 C10 4.3560 2.4253 0.0000 C.2 1 noname 0.0278 15 C11 -5.2730 -1.4962 0.0000 C.2 1 noname -0.0414 16 C12 -5.2730 1.5927 0.0000 C.2 1 noname -0.0323 17 O1 -0.5188 3.0648 0.0000 O.2 1 noname -0.2928 18 N3 -3.0407 3.8854 0.0000 N.3 1 noname -0.0772 19 C13 5.9246 -2.6546 0.0000 C.2 1 noname -0.0414 20 C14 6.9985 0.2051 0.0000 C.2 1 noname -0.0323 21 O2 3.0166 3.1975 0.0000 O.2 1 noname -0.2928 22 N4 5.4299 3.5234 0.0000 N.3 1 noname -0.0772 23 C15 -6.6124 -0.7119 0.0000 C.2 1 noname -0.0509 24 C16 -6.6124 0.8326 0.0000 C.2 1 noname -0.0529 25 C17 -2.5822 5.3575 0.0000 C.3 1 noname -0.0085 26 C18 7.4208 -2.3891 0.0000 C.2 1 noname -0.0509 27 C19 7.9639 -0.9653 0.0000 C.2 1 noname -0.0529 28 C20 5.0197 5.0197 0.0000 C.3 1 noname -0.0085 29 H1 -1.9965 -2.6868 0.0000 H 1 noname 0.1533 30 H2 2.4849 -2.6448 0.0000 H 1 noname 0.1533 31 H3 -5.2834 -3.0361 0.0000 H 1 noname 0.0642 32 H4 -5.2625 3.1327 0.0000 H 1 noname 0.0629 33 H5 -4.5446 3.5540 0.0000 H 1 noname 0.1309 34 H6 5.3925 -4.0997 0.0000 H 1 noname 0.0642 35 H7 7.5306 1.6503 0.0000 H 1 noname 0.0629 36 H8 6.9208 3.1374 0.0000 H 1 noname 0.1309 37 H9 -7.9484 -1.4778 0.0000 H 1 noname 0.0623 38 H10 -7.9432 1.6075 0.0000 H 1 noname 0.0622 39 H11 -1.1118 4.8995 0.0000 H 1 noname 0.0396 40 H12 -2.1242 6.8278 0.0000 H 1 noname 0.0396 41 H13 -4.0525 5.8155 0.0000 H 1 noname 0.0396 42 H14 8.4023 -3.5758 0.0000 H 1 noname 0.0623 43 H15 9.4836 -0.7159 0.0000 H 1 noname 0.0622 44 H16 6.5048 5.4269 0.0000 H 1 noname 0.0396 45 H17 4.6124 6.5048 0.0000 H 1 noname 0.0396 46 H18 3.5345 4.6124 0.0000 H 1 noname 0.0396 @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 6 10 1 10 6 11 1 11 7 12 1 12 8 13 1 13 8 14 1 14 9 15 1 15 9 10 2 16 10 16 1 17 11 17 2 18 11 18 1 19 12 19 1 20 12 13 2 21 13 20 1 22 14 21 2 23 14 22 1 24 15 23 2 25 16 24 2 26 18 25 1 27 19 26 2 28 20 27 2 29 22 28 1 30 23 24 1 31 26 27 1 32 5 29 1 33 7 30 1 34 15 31 1 35 16 32 1 36 18 33 1 37 19 34 1 38 20 35 1 39 22 36 1 40 23 37 1 41 24 38 1 42 25 39 1 43 25 40 1 44 25 41 1 45 26 42 1 46 27 43 1 47 28 44 1 48 28 45 1 49 28 46 1 @SUBSTRUCTURE 1 noname 1