@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3357 80 83 1 SMALL USER_CHARGES @ATOM 1 Se1 0.0000 0.0000 0.0000 Se 1 noname -0.0520 2 Se2 -1.5444 0.0120 0.0000 Se 1 noname -0.0520 3 C1 1.5202 0.0120 0.0000 C.2 1 noname -0.0256 4 C2 -3.0887 0.0241 0.0000 C.2 1 noname -0.0256 5 N1 1.9184 -1.4478 0.0000 N.3 1 noname -0.0158 6 C3 2.7871 0.8687 0.0000 C.2 1 noname 0.0361 7 N2 -4.0057 -1.2065 0.0000 N.3 1 noname -0.0158 8 C4 -4.0057 1.2788 0.0000 C.2 1 noname 0.0361 9 C5 3.4386 -1.4960 0.0000 C.2 1 noname -0.0647 10 C6 3.9815 -0.0723 0.0000 C.2 1 noname -0.0040 11 C7 2.8353 2.4131 0.0000 C.2 1 noname 0.0288 12 C8 -5.4776 -0.7238 0.0000 C.2 1 noname -0.0647 13 C9 -5.4776 0.8204 0.0000 C.2 1 noname -0.0040 14 C10 -3.5472 2.7509 0.0000 C.2 1 noname 0.0288 15 C11 4.4039 -2.6664 0.0000 C.2 1 noname -0.0414 16 C12 5.4776 0.1930 0.0000 C.2 1 noname -0.0323 17 O1 1.4960 3.1852 0.0000 O.2 1 noname -0.2925 18 N3 3.9092 3.5110 0.0000 N.3 1 noname -0.0740 19 C13 -6.8169 -1.4840 0.0000 C.2 1 noname -0.0414 20 C14 -6.8169 1.5926 0.0000 C.2 1 noname -0.0323 21 O2 -2.0631 3.0767 0.0000 O.2 1 noname -0.2925 22 N4 -4.5849 3.8971 0.0000 N.3 1 noname -0.0740 23 C15 5.9000 -2.4010 0.0000 C.2 1 noname -0.0509 24 C16 6.4429 -0.9773 0.0000 C.2 1 noname -0.0529 25 C17 3.4989 5.0071 0.0000 C.3 1 noname 0.0158 26 C18 -8.1562 -0.7118 0.0000 C.2 1 noname -0.0509 27 C19 -8.1562 0.8324 0.0000 C.2 1 noname -0.0529 28 C20 -4.1263 5.3690 0.0000 C.3 1 noname 0.0158 29 C21 4.5728 6.1051 0.0000 C.3 1 noname 0.0112 30 C22 -5.1640 6.5153 0.0000 C.3 1 noname 0.0112 31 N5 4.1625 7.6012 0.0000 N.3 1 noname -0.3025 32 N6 -4.7054 7.9873 0.0000 N.3 1 noname -0.3025 33 C23 5.2364 8.6991 0.0000 C.3 1 noname -0.0046 34 C24 2.6181 7.6133 0.0000 C.3 1 noname -0.0046 35 C25 -3.2335 8.3975 0.0000 C.3 1 noname -0.0046 36 C26 -6.2016 8.3975 0.0000 C.3 1 noname -0.0046 37 C27 4.8261 10.1953 0.0000 C.3 1 noname -0.0524 38 C28 1.8460 6.2982 0.0000 C.3 1 noname -0.0524 39 C29 -2.8474 9.8937 0.0000 C.3 1 noname -0.0524 40 C30 -7.2995 7.3237 0.0000 C.3 1 noname -0.0524 41 H1 1.3839 -2.9746 0.0000 H 1 noname 0.1533 42 H2 -3.8038 -2.8033 0.0000 H 1 noname 0.1533 43 H3 4.0518 -4.2290 0.0000 H 1 noname 0.0642 44 H4 5.9996 1.6079 0.0000 H 1 noname 0.0629 45 H5 5.4113 2.7735 0.0000 H 1 noname 0.1313 46 H6 -6.9733 -3.0761 0.0000 H 1 noname 0.0642 47 H7 -7.1863 2.8799 0.0000 H 1 noname 0.0629 48 H8 -6.2575 3.4605 0.0000 H 1 noname 0.1313 49 H9 6.9254 -3.6329 0.0000 H 1 noname 0.0623 50 H10 8.0465 -0.8979 0.0000 H 1 noname 0.0622 51 H11 2.0809 4.4276 0.0000 H 1 noname 0.0446 52 H12 2.7920 6.5827 0.0000 H 1 noname 0.0446 53 H13 -9.5176 -1.5555 0.0000 H 1 noname 0.0623 54 H14 -9.7282 1.2174 0.0000 H 1 noname 0.0622 55 H15 -3.1921 4.2164 0.0000 H 1 noname 0.0446 56 H16 -2.7218 5.8203 0.0000 H 1 noname 0.0446 57 H17 6.1036 5.2914 0.0000 H 1 noname 0.0443 58 H18 6.1383 6.6490 0.0000 H 1 noname 0.0443 59 H19 -6.9193 5.6830 0.0000 H 1 noname 0.0443 60 H20 -6.2699 7.5072 0.0000 H 1 noname 0.0443 61 H21 6.8424 8.2286 0.0000 H 1 noname 0.0427 62 H22 6.6330 9.6013 0.0000 H 1 noname 0.0427 63 H23 3.1573 9.1467 0.0000 H 1 noname 0.0427 64 H24 1.8523 9.0617 0.0000 H 1 noname 0.0427 65 H25 -3.0057 6.9243 0.0000 H 1 noname 0.0427 66 H26 -1.8778 9.1749 0.0000 H 1 noname 0.0427 67 H27 -5.5507 9.9842 0.0000 H 1 noname 0.0427 68 H28 -7.1967 9.8375 0.0000 H 1 noname 0.0427 69 H29 6.1541 11.2194 0.0000 H 1 noname 0.0243 70 H30 4.8776 11.8895 0.0000 H 1 noname 0.0243 71 H31 3.5877 11.2497 0.0000 H 1 noname 0.0243 72 H32 0.3835 6.9995 0.0000 H 1 noname 0.0243 73 H33 0.5755 5.4907 0.0000 H 1 noname 0.0243 74 H34 3.5109 5.8834 0.0000 H 1 noname 0.0243 75 H35 -1.5377 10.9649 0.0000 H 1 noname 0.0243 76 H36 -2.8808 11.5793 0.0000 H 1 noname 0.0243 77 H37 -4.3389 10.5741 0.0000 H 1 noname 0.0243 78 H38 -8.8840 8.2126 0.0000 H 1 noname 0.0243 79 H39 -8.9700 6.9124 0.0000 H 1 noname 0.0243 80 H40 -6.1824 6.2477 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 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 25 29 1 32 26 27 1 33 28 30 1 34 29 31 1 35 30 32 1 36 31 33 1 37 31 34 1 38 32 35 1 39 32 36 1 40 33 37 1 41 34 38 1 42 35 39 1 43 36 40 1 44 5 41 1 45 7 42 1 46 15 43 1 47 16 44 1 48 18 45 1 49 19 46 1 50 20 47 1 51 22 48 1 52 23 49 1 53 24 50 1 54 25 51 1 55 25 52 1 56 26 53 1 57 27 54 1 58 28 55 1 59 28 56 1 60 29 57 1 61 29 58 1 62 30 59 1 63 30 60 1 64 33 61 1 65 33 62 1 66 34 63 1 67 34 64 1 68 35 65 1 69 35 66 1 70 36 67 1 71 36 68 1 72 37 69 1 73 37 70 1 74 37 71 1 75 38 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 @SUBSTRUCTURE 1 noname 1