@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3355 86 89 1 SMALL USER_CHARGES @ATOM 1 Se1 0.0000 0.0000 0.0000 Se 1 noname -0.0507 2 Se2 1.5203 0.0120 0.0000 Se 1 noname -0.0507 3 C1 -1.5444 0.0120 0.0000 C.2 1 noname -0.0220 4 C2 3.0406 0.0241 0.0000 C.2 1 noname -0.0220 5 N1 -2.4615 -1.2186 0.0000 N.3 1 noname -0.0104 6 C3 -2.4615 1.2669 0.0000 C.2 1 noname 0.0372 7 N2 3.4388 -1.4358 0.0000 N.3 1 noname -0.0104 8 C4 4.3075 0.8808 0.0000 C.2 1 noname 0.0372 9 C5 -3.9335 -0.7360 0.0000 C.2 1 noname -0.0622 10 C6 -2.0029 -2.6665 0.0000 C.3 1 noname -0.0542 11 C7 -3.9335 0.8084 0.0000 C.2 1 noname -0.0031 12 C8 -2.0029 2.7390 0.0000 C.2 1 noname 0.0289 13 C9 4.9591 -1.4841 0.0000 C.2 1 noname -0.0622 14 C10 2.4735 -2.6304 0.0000 C.3 1 noname -0.0542 15 C11 5.5021 -0.0602 0.0000 C.2 1 noname -0.0031 16 C12 4.3558 2.4252 0.0000 C.2 1 noname 0.0289 17 C13 -5.2729 -1.4961 0.0000 C.2 1 noname -0.0405 18 C14 -5.2729 1.5806 0.0000 C.2 1 noname -0.0321 19 O1 -0.5188 3.0647 0.0000 O.2 1 noname -0.2925 20 N3 -3.0406 3.8852 0.0000 N.3 1 noname -0.0740 21 C15 5.9244 -2.6545 0.0000 C.2 1 noname -0.0405 22 C16 6.9982 0.2051 0.0000 C.2 1 noname -0.0321 23 O2 3.0165 3.1975 0.0000 O.2 1 noname -0.2925 24 N4 5.4297 3.5233 0.0000 N.3 1 noname -0.0740 25 C17 -6.6122 -0.7239 0.0000 C.2 1 noname -0.0507 26 C18 -6.6122 0.8205 0.0000 C.2 1 noname -0.0529 27 C19 -3.0527 5.4297 0.0000 C.3 1 noname 0.0158 28 C20 7.4206 -2.3890 0.0000 C.2 1 noname -0.0507 29 C21 7.9636 -0.9652 0.0000 C.2 1 noname -0.0529 30 C22 5.0194 5.0194 0.0000 C.3 1 noname 0.0158 31 C23 -4.3920 6.2019 0.0000 C.3 1 noname 0.0112 32 C24 6.0933 6.1174 0.0000 C.3 1 noname 0.0112 33 N5 -4.4041 7.7464 0.0000 N.3 1 noname -0.3025 34 N6 5.6831 7.6137 0.0000 N.3 1 noname -0.3025 35 C25 -5.7434 8.5306 0.0000 C.3 1 noname -0.0046 36 C26 -3.0889 8.5306 0.0000 C.3 1 noname -0.0046 37 C27 6.7570 8.7116 0.0000 C.3 1 noname -0.0046 38 C28 4.1869 8.0239 0.0000 C.3 1 noname -0.0046 39 C29 -7.2396 8.1446 0.0000 C.3 1 noname -0.0524 40 C30 -3.1010 10.0751 0.0000 C.3 1 noname -0.0524 41 C31 6.3468 10.2079 0.0000 C.3 1 noname -0.0524 42 C32 3.0889 6.9500 0.0000 C.3 1 noname -0.0524 43 H1 -3.4710 -3.1315 0.0000 H 1 noname 0.0436 44 H2 -1.5379 -4.1347 0.0000 H 1 noname 0.0436 45 H3 -0.5348 -2.2015 0.0000 H 1 noname 0.0436 46 H4 1.2757 -1.6625 0.0000 H 1 noname 0.0436 47 H5 1.5055 -3.8282 0.0000 H 1 noname 0.0436 48 H6 3.6712 -3.5983 0.0000 H 1 noname 0.0436 49 H7 -5.2781 -3.0361 0.0000 H 1 noname 0.0642 50 H8 -5.2676 3.1206 0.0000 H 1 noname 0.0629 51 H9 -4.4754 3.3257 0.0000 H 1 noname 0.1313 52 H10 5.3923 -4.0996 0.0000 H 1 noname 0.0642 53 H11 7.5303 1.6502 0.0000 H 1 noname 0.0629 54 H12 6.9205 3.1373 0.0000 H 1 noname 0.1313 55 H13 -7.9456 -1.4943 0.0000 H 1 noname 0.0623 56 H14 -7.9430 1.5954 0.0000 H 1 noname 0.0622 57 H15 -1.5139 5.4912 0.0000 H 1 noname 0.0446 58 H16 -2.2410 6.7384 0.0000 H 1 noname 0.0446 59 H17 8.4020 -3.5758 0.0000 H 1 noname 0.0623 60 H18 9.4832 -0.7158 0.0000 H 1 noname 0.0622 61 H19 3.5217 4.6613 0.0000 H 1 noname 0.0446 62 H20 3.8837 6.0595 0.0000 H 1 noname 0.0446 63 H21 -5.2037 4.8932 0.0000 H 1 noname 0.0443 64 H22 -5.9308 6.1404 0.0000 H 1 noname 0.0443 65 H23 7.2291 5.0774 0.0000 H 1 noname 0.0443 66 H24 7.5911 6.4756 0.0000 H 1 noname 0.0443 67 H25 -4.8785 9.8048 0.0000 H 1 noname 0.0427 68 H26 -6.2267 9.9929 0.0000 H 1 noname 0.0427 69 H27 -1.8977 7.5546 0.0000 H 1 noname 0.0427 70 H28 -1.5493 8.4926 0.0000 H 1 noname 0.0427 71 H29 7.8928 7.6716 0.0000 H 1 noname 0.0427 72 H30 8.2548 9.0698 0.0000 H 1 noname 0.0427 73 H31 4.5450 9.5217 0.0000 H 1 noname 0.0427 74 H32 3.1468 9.1597 0.0000 H 1 noname 0.0427 75 H33 -7.6244 9.6357 0.0000 H 1 noname 0.0243 76 H34 -8.7307 7.7598 0.0000 H 1 noname 0.0243 77 H35 -6.8548 6.6534 0.0000 H 1 noname 0.0243 78 H36 -1.5610 10.0872 0.0000 H 1 noname 0.0243 79 H37 -3.1130 11.6151 0.0000 H 1 noname 0.0243 80 H38 -4.5693 10.5395 0.0000 H 1 noname 0.0243 81 H39 7.8319 10.6151 0.0000 H 1 noname 0.0243 82 H40 5.9395 11.6931 0.0000 H 1 noname 0.0243 83 H41 4.8084 10.2795 0.0000 H 1 noname 0.0243 84 H42 2.0121 8.0509 0.0000 H 1 noname 0.0243 85 H43 1.9879 5.8732 0.0000 H 1 noname 0.0243 86 H44 3.3129 5.4264 0.0000 H 1 noname 0.0243 @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 20 27 1 29 21 28 2 30 22 29 2 31 24 30 1 32 25 26 1 33 27 31 1 34 28 29 1 35 30 32 1 36 31 33 1 37 32 34 1 38 33 35 1 39 33 36 1 40 34 37 1 41 34 38 1 42 35 39 1 43 36 40 1 44 37 41 1 45 38 42 1 46 10 43 1 47 10 44 1 48 10 45 1 49 14 46 1 50 14 47 1 51 14 48 1 52 17 49 1 53 18 50 1 54 20 51 1 55 21 52 1 56 22 53 1 57 24 54 1 58 25 55 1 59 26 56 1 60 27 57 1 61 27 58 1 62 28 59 1 63 29 60 1 64 30 61 1 65 30 62 1 66 31 63 1 67 31 64 1 68 32 65 1 69 32 66 1 70 35 67 1 71 35 68 1 72 36 69 1 73 36 70 1 74 37 71 1 75 37 72 1 76 38 73 1 77 38 74 1 78 39 75 1 79 39 76 1 80 39 77 1 81 40 78 1 82 40 79 1 83 40 80 1 84 41 81 1 85 41 82 1 86 41 83 1 87 42 84 1 88 42 85 1 89 42 86 1 @SUBSTRUCTURE 1 noname 1