@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3360 92 97 1 SMALL USER_CHARGES @ATOM 1 Se1 0.0000 0.0000 0.0000 Se 1 noname -0.0619 2 Se2 1.5254 0.0121 0.0000 Se 1 noname -0.0619 3 C1 -1.5496 0.0121 0.0000 C.2 1 noname -0.0614 4 C2 3.0509 0.0242 0.0000 C.2 1 noname -0.0614 5 N1 -2.4698 -1.2228 0.0000 N.3 1 noname -0.0419 6 C3 -2.4698 1.2712 0.0000 C.2 1 noname 0.0022 7 N2 3.5109 -1.4286 0.0000 N.3 1 noname -0.0419 8 C4 4.2859 0.9443 0.0000 C.2 1 noname 0.0022 9 C5 -3.9468 -0.7384 0.0000 C.2 1 noname -0.0745 10 C6 -3.9468 0.8111 0.0000 C.2 1 noname -0.0230 11 C7 -2.0097 2.7482 0.0000 C.3 1 noname -0.0004 12 C8 5.0365 -1.3559 0.0000 C.2 1 noname -0.0745 13 C9 5.5207 0.1089 0.0000 C.2 1 noname -0.0230 14 C10 4.2738 2.4940 0.0000 C.3 1 noname -0.0004 15 C11 -5.2908 -1.4892 0.0000 C.2 1 noname -0.0426 16 C12 -5.2908 1.5860 0.0000 C.2 1 noname -0.0385 17 C13 -3.0509 3.8985 0.0000 C.3 1 noname 0.0922 18 C14 6.0535 -2.4819 0.0000 C.2 1 noname -0.0426 19 C15 7.0099 0.4358 0.0000 C.2 1 noname -0.0385 20 C16 5.5934 3.2689 0.0000 C.3 1 noname 0.0922 21 C17 -6.6346 -0.7142 0.0000 C.2 1 noname -0.0511 22 C18 -6.6346 0.8354 0.0000 C.2 1 noname -0.0539 23 N3 -4.5643 3.5957 0.0000 N.3 1 noname -0.0373 24 C19 -2.5908 5.3755 0.0000 C.2 1 noname 0.0475 25 C20 7.5426 -2.1550 0.0000 C.2 1 noname -0.0511 26 C21 8.0269 -0.6901 0.0000 C.2 1 noname -0.0539 27 N4 6.9131 2.5182 0.0000 N.3 1 noname -0.0373 28 C22 5.5813 4.8186 0.0000 C.2 1 noname 0.0475 29 C23 -5.6055 4.7459 0.0000 C.2 1 noname 0.0928 30 O1 -1.1016 5.7024 0.0000 O.2 1 noname -0.2904 31 N5 -3.6321 6.5256 0.0000 N.3 1 noname -0.0714 32 C24 8.2327 3.2931 0.0000 C.2 1 noname 0.0928 33 O2 4.2374 5.5934 0.0000 O.2 1 noname -0.2904 34 N6 6.9010 5.5934 0.0000 N.3 1 noname -0.0714 35 O3 -5.1817 6.2351 0.0000 O.2 1 noname -0.2593 36 C25 -7.1189 4.4190 0.0000 C.3 1 noname 0.4653 37 C26 -3.2447 8.0269 0.0000 C.3 1 noname 0.0278 38 O4 8.2206 4.8428 0.0000 O.2 1 noname -0.2593 39 C27 9.5524 2.5424 0.0000 C.3 1 noname 0.4653 40 C28 6.8889 7.1431 0.0000 C.3 1 noname 0.0278 41 F1 -8.1722 5.5570 0.0000 F 1 noname -0.1622 42 F2 -8.6323 4.0922 0.0000 F 1 noname -0.1622 43 F3 -7.5910 2.9662 0.0000 F 1 noname -0.1622 44 C29 -1.7676 8.4386 0.0000 C.2 1 noname -0.0486 45 F4 10.8721 3.3172 0.0000 F 1 noname -0.1622 46 F5 10.8721 1.7918 0.0000 F 1 noname -0.1622 47 F6 9.5402 1.0169 0.0000 F 1 noname -0.1622 48 C30 8.2085 7.9180 0.0000 C.2 1 noname -0.0486 49 C31 -1.8281 9.9882 0.0000 C.2 1 noname -0.0531 50 C32 -0.4237 7.7243 0.0000 C.2 1 noname -0.0531 51 C33 8.1964 9.4677 0.0000 C.2 1 noname -0.0531 52 C34 9.5282 7.1673 0.0000 C.2 1 noname -0.0531 53 C35 -0.5326 10.8115 0.0000 C.2 1 noname -0.0594 54 C36 0.8717 8.5475 0.0000 C.2 1 noname -0.0594 55 C37 9.5161 10.2425 0.0000 C.2 1 noname -0.0594 56 C38 10.8479 7.9421 0.0000 C.2 1 noname -0.0594 57 C39 0.8111 10.0973 0.0000 C.2 1 noname -0.0613 58 C40 10.8357 9.4919 0.0000 C.2 1 noname -0.0613 59 H1 -2.0047 -2.6909 0.0000 H 1 noname 0.1533 60 H2 2.6309 -2.6924 0.0000 H 1 noname 0.1533 61 H3 -0.5258 2.3364 0.0000 H 1 noname 0.0338 62 H4 -0.8363 3.7455 0.0000 H 1 noname 0.0338 63 H5 2.7343 2.5359 0.0000 H 1 noname 0.0338 64 H6 3.4479 3.7938 0.0000 H 1 noname 0.0338 65 H7 -5.3013 -3.0291 0.0000 H 1 noname 0.0642 66 H8 -5.2803 3.1260 0.0000 H 1 noname 0.0629 67 H9 -3.5336 2.4361 0.0000 H 1 noname 0.0569 68 H10 5.5836 -3.9484 0.0000 H 1 noname 0.0642 69 H11 7.4798 1.9024 0.0000 H 1 noname 0.0629 70 H12 5.6040 1.7289 0.0000 H 1 noname 0.0569 71 H13 -7.9681 -1.4846 0.0000 H 1 noname 0.0623 72 H14 -7.9628 1.6148 0.0000 H 1 noname 0.0622 73 H15 -6.1043 3.6029 0.0000 H 1 noname 0.1321 74 H16 8.5740 -3.2987 0.0000 H 1 noname 0.0623 75 H17 9.5338 -0.3725 0.0000 H 1 noname 0.0622 76 H18 8.3809 2.0524 0.0000 H 1 noname 0.1321 77 H19 -5.0584 7.1064 0.0000 H 1 noname 0.1314 78 H20 8.4313 5.7660 0.0000 H 1 noname 0.1314 79 H21 -4.7216 8.4631 0.0000 H 1 noname 0.0483 80 H22 -3.7092 9.4952 0.0000 H 1 noname 0.0483 81 H23 5.3494 7.1852 0.0000 H 1 noname 0.0483 82 H24 6.0630 8.4430 0.0000 H 1 noname 0.0483 83 H25 -3.1920 10.7032 0.0000 H 1 noname 0.0626 84 H26 -0.3639 6.1854 0.0000 H 1 noname 0.0626 85 H27 6.8570 10.2276 0.0000 H 1 noname 0.0626 86 H28 9.5387 5.6274 0.0000 H 1 noname 0.0626 87 H29 -0.5923 12.3504 0.0000 H 1 noname 0.0622 88 H30 2.2357 7.8326 0.0000 H 1 noname 0.0622 89 H31 9.5055 11.7825 0.0000 H 1 noname 0.0622 90 H32 12.1874 7.1823 0.0000 H 1 noname 0.0622 91 H33 2.1153 10.9161 0.0000 H 1 noname 0.0622 92 H34 12.1638 10.2714 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 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 1 18 12 18 1 19 12 13 2 20 13 19 1 21 14 20 1 22 15 21 2 23 16 22 2 24 17 23 1 25 17 24 1 26 18 25 2 27 19 26 2 28 20 27 1 29 20 28 1 30 21 22 1 31 23 29 1 32 24 30 2 33 24 31 1 34 25 26 1 35 27 32 1 36 28 33 2 37 28 34 1 38 29 35 2 39 29 36 1 40 31 37 1 41 32 38 2 42 32 39 1 43 34 40 1 44 36 41 1 45 36 42 1 46 36 43 1 47 37 44 1 48 39 45 1 49 39 46 1 50 39 47 1 51 40 48 1 52 44 49 2 53 44 50 1 54 48 51 2 55 48 52 1 56 49 53 1 57 50 54 2 58 51 55 1 59 52 56 2 60 53 57 2 61 54 57 1 62 55 58 2 63 56 58 1 64 5 59 1 65 7 60 1 66 11 61 1 67 11 62 1 68 14 63 1 69 14 64 1 70 15 65 1 71 16 66 1 72 17 67 1 73 18 68 1 74 19 69 1 75 20 70 1 76 21 71 1 77 22 72 1 78 23 73 1 79 25 74 1 80 26 75 1 81 27 76 1 82 31 77 1 83 34 78 1 84 37 79 1 85 37 80 1 86 40 81 1 87 40 82 1 88 49 83 1 89 50 84 1 90 51 85 1 91 52 86 1 92 53 87 1 93 54 88 1 94 55 89 1 95 56 90 1 96 57 91 1 97 58 92 1 @SUBSTRUCTURE 1 noname 1