@MOLECULE DB02753 31 33 1 SMALL USER_CHARGES @ATOM 1 Se1 -4.7630 3.2772 -2.2158 Se 1 noname -0.0727 2 C1 -3.5619 3.9505 -0.9067 C.2 1 noname 0.0776 3 N1 -3.8450 5.0844 -0.1878 N.2 1 noname -0.2295 4 C2 -2.3393 3.3091 -0.6288 C.2 1 noname 0.0634 5 C3 -3.0166 5.6226 0.7648 C.2 1 noname 0.0563 6 N2 -1.8101 2.1941 -1.1352 N.2 1 noname -0.2118 7 C4 -1.4880 3.8695 0.3275 C.2 1 noname 0.1239 8 N3 -1.8196 5.0115 1.0215 N.2 1 noname -0.2127 9 C5 -0.6246 2.0633 -0.5197 C.2 1 noname -0.0346 10 N4 -0.3994 3.0816 0.3486 N.3 1 noname 0.0222 11 C6 0.7686 3.3479 1.1480 C.3 1 noname 0.1590 12 O1 1.3210 4.6088 0.7997 O.3 1 noname -0.3483 13 C7 1.9638 2.3770 1.0640 C.3 1 noname 0.1258 14 C8 2.5114 4.6323 1.5808 C.3 1 noname 0.1117 15 O2 1.7595 1.2961 1.9620 O.3 1 noname -0.3857 16 C9 3.1216 3.2280 1.5517 C.3 1 noname 0.1126 17 C10 3.4997 5.6305 0.9743 C.3 1 noname 0.0722 18 O3 3.4734 2.8374 2.8709 O.3 1 noname -0.3873 19 O4 2.9166 6.9252 0.9609 O.3 1 noname -0.3934 20 H1 -5.8902 2.6453 -1.5581 H 1 noname 0.1095 21 H2 -3.3049 6.5217 1.3093 H 1 noname 0.1062 22 H3 0.0647 1.2386 -0.7011 H 1 noname 0.1016 23 H4 0.3047 3.3292 2.1341 H 1 noname 0.0853 24 H5 2.1219 1.8914 0.1010 H 1 noname 0.0674 25 H6 2.2216 4.9373 2.5863 H 1 noname 0.0656 26 H7 1.8198 1.6150 2.8655 H 1 noname 0.2107 27 H8 4.0488 3.1216 0.9886 H 1 noname 0.0657 28 H9 4.3575 5.7048 1.6426 H 1 noname 0.0591 29 H10 3.6461 5.3667 -0.0731 H 1 noname 0.0591 30 H11 3.4885 1.8792 2.9276 H 1 noname 0.2106 31 H12 2.7817 7.2247 1.8630 H 1 noname 0.2101 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 1 6 4 7 2 7 5 8 2 8 6 9 2 9 7 10 1 10 7 8 1 11 9 10 1 12 11 10 1 13 11 12 1 14 11 13 1 15 12 14 1 16 13 15 1 17 13 16 1 18 14 17 1 19 14 16 1 20 16 18 1 21 17 19 1 22 1 20 1 23 5 21 1 24 9 22 1 25 11 23 1 26 13 24 1 27 14 25 1 28 15 26 1 29 16 27 1 30 17 28 1 31 17 29 1 32 18 30 1 33 19 31 1 @SUBSTRUCTURE 1 noname 1