@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3352 68 71 1 SMALL USER_CHARGES @ATOM 1 Se1 0.0000 0.0000 0.0000 Se 1 noname -0.0480 2 Se2 1.5202 0.0120 0.0000 Se 1 noname -0.0480 3 C1 -1.5443 0.0120 0.0000 C.2 1 noname -0.0053 4 C2 3.0405 0.0241 0.0000 C.2 1 noname -0.0053 5 N1 -2.4613 -1.2186 0.0000 N.3 1 noname 0.0074 6 C3 -2.4613 1.2668 0.0000 C.2 1 noname 0.0435 7 N2 3.4387 -1.4358 0.0000 N.3 1 noname 0.0074 8 C4 4.3074 0.8808 0.0000 C.2 1 noname 0.0435 9 C5 -3.9333 -0.7359 0.0000 C.2 1 noname -0.0591 10 C6 -2.0028 -2.6664 0.0000 C.3 1 noname -0.0510 11 C7 -3.9333 0.8083 0.0000 C.2 1 noname 0.0002 12 C8 -2.0028 2.7389 0.0000 C.2 1 noname 0.1061 13 C9 4.9589 -1.4841 0.0000 C.2 1 noname -0.0591 14 C10 2.4734 -2.6303 0.0000 C.3 1 noname -0.0510 15 C11 5.5019 -0.0603 0.0000 C.2 1 noname 0.0002 16 C12 4.3557 2.4251 0.0000 C.2 1 noname 0.1061 17 C13 -5.2727 -1.4960 0.0000 C.2 1 noname -0.0402 18 C14 -5.2727 1.5926 0.0000 C.2 1 noname -0.0312 19 O1 -0.5188 3.0646 0.0000 O.2 1 noname -0.2540 20 O2 -3.0405 3.8851 0.0000 O.3 1 noname -0.2008 21 C15 5.9242 -2.6543 0.0000 C.2 1 noname -0.0402 22 C16 6.9979 0.2051 0.0000 C.2 1 noname -0.0312 23 O3 3.0163 3.1974 0.0000 O.2 1 noname -0.2540 24 O4 5.4294 3.5231 0.0000 O.3 1 noname -0.2008 25 C17 -6.6119 -0.7118 0.0000 C.2 1 noname -0.0507 26 C18 -6.6119 0.8324 0.0000 C.2 1 noname -0.0528 27 C19 -2.5820 5.3571 0.0000 C.3 1 noname 0.0700 28 C20 7.4203 -2.3890 0.0000 C.2 1 noname -0.0507 29 C21 7.9632 -0.9652 0.0000 C.2 1 noname -0.0528 30 C22 5.0193 5.0193 0.0000 C.3 1 noname 0.0700 31 C23 -3.6196 6.5033 0.0000 C.3 1 noname -0.0357 32 C24 -1.0979 5.6828 0.0000 C.3 1 noname -0.0357 33 C25 -2.1235 6.8291 0.0000 C.3 1 noname -0.0357 34 C26 6.0930 6.1172 0.0000 C.3 1 noname -0.0357 35 C27 3.5231 5.4294 0.0000 C.3 1 noname -0.0357 36 C28 4.6090 6.5154 0.0000 C.3 1 noname -0.0357 37 H1 -3.4468 -3.3962 0.0000 H 1 noname 0.0436 38 H2 -2.2697 -4.3360 0.0000 H 1 noname 0.0436 39 H3 -0.9561 -3.8742 0.0000 H 1 noname 0.0436 40 H4 1.2388 -3.6151 0.0000 H 1 noname 0.0436 41 H5 2.3798 -4.3111 0.0000 H 1 noname 0.0436 42 H6 3.7060 -3.7170 0.0000 H 1 noname 0.0436 43 H7 -6.0410 -2.8949 0.0000 H 1 noname 0.0642 44 H8 -6.3743 2.7654 0.0000 H 1 noname 0.0629 45 H9 6.2610 -4.2204 0.0000 H 1 noname 0.0642 46 H10 8.2769 1.1590 0.0000 H 1 noname 0.0629 47 H11 -8.0676 -1.3916 0.0000 H 1 noname 0.0623 48 H12 -8.1591 1.2723 0.0000 H 1 noname 0.0622 49 H13 8.5947 -3.4860 0.0000 H 1 noname 0.0623 50 H14 9.5714 -0.9649 0.0000 H 1 noname 0.0622 51 H15 -2.5854 7.8906 0.0000 H 1 noname 0.0259 52 H16 -4.6145 8.1105 0.0000 H 1 noname 0.0259 53 H17 -5.1108 5.7560 0.0000 H 1 noname 0.0259 54 H18 -1.3462 4.0184 0.0000 H 1 noname 0.0259 55 H19 -0.0199 4.6253 0.0000 H 1 noname 0.0259 56 H20 -1.5066 7.5491 0.0000 H 1 noname 0.0259 57 H21 -0.4875 7.1633 0.0000 H 1 noname 0.0259 58 H22 -1.8419 8.7200 0.0000 H 1 noname 0.0259 59 H23 -3.7810 7.4486 0.0000 H 1 noname 0.0259 60 H24 7.4278 5.1065 0.0000 H 1 noname 0.0259 61 H25 7.2556 7.5926 0.0000 H 1 noname 0.0259 62 H26 5.0837 7.5204 0.0000 H 1 noname 0.0259 63 H27 3.9512 7.2703 0.0000 H 1 noname 0.0259 64 H28 2.2823 6.8270 0.0000 H 1 noname 0.0259 65 H29 3.8419 3.8265 0.0000 H 1 noname 0.0259 66 H30 6.2927 7.0764 0.0000 H 1 noname 0.0259 67 H31 4.4236 8.4124 0.0000 H 1 noname 0.0259 68 H32 3.0403 6.2036 0.0000 H 1 noname 0.0259 @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 27 32 1 35 27 33 1 36 28 29 1 37 30 34 1 38 30 35 1 39 30 36 1 40 10 37 1 41 10 38 1 42 10 39 1 43 14 40 1 44 14 41 1 45 14 42 1 46 17 43 1 47 18 44 1 48 21 45 1 49 22 46 1 50 25 47 1 51 26 48 1 52 28 49 1 53 29 50 1 54 31 51 1 55 31 52 1 56 31 53 1 57 32 54 1 58 32 55 1 59 32 56 1 60 33 57 1 61 33 58 1 62 33 59 1 63 34 60 1 64 34 61 1 65 34 62 1 66 35 63 1 67 35 64 1 68 35 65 1 69 36 66 1 70 36 67 1 71 36 68 1 @SUBSTRUCTURE 1 noname 1