@MOLECULE DB04231 43 46 1 SMALL USER_CHARGES @ATOM 1 Cu1 -2.1878 -1.2399 -0.6204 Cu 1 noname 0.0000 2 O1 -1.0847 -1.7850 -2.4230 O.3 1 noname 0.0000 3 O2 -3.2790 -0.7299 1.1974 O.3 1 noname 0.0000 4 N1 -0.3896 -1.4396 0.5344 N.2 1 noname 0.0000 5 N2 -4.0037 -1.2417 -1.6984 N.2 1 noname 0.0000 6 N3 -2.4838 -3.3421 -0.2099 N.2 1 noname 0.0000 7 N4 -1.7776 0.7614 -0.9873 N.2 1 noname 0.0000 8 C1 -0.2533 -1.2516 1.8564 C.2 1 noname 0.0000 9 C2 0.8263 -1.7773 0.0781 C.2 1 noname 0.0000 10 C3 -4.1948 -1.8714 -2.8666 C.2 1 noname 0.0000 11 C4 -5.1984 -1.0044 -1.1532 C.2 1 noname 0.0000 12 C5 -2.7689 -3.8512 1.0011 C.2 1 noname 0.0000 13 C6 -1.9883 -4.3382 -0.9521 C.2 1 noname 0.0000 14 C7 -1.6154 1.2123 -2.1630 C.2 1 noname 0.0000 15 C8 -1.6279 1.7426 -0.1906 C.2 1 noname 0.0000 16 N5 1.0137 -1.4531 2.2310 N.3 1 noname 0.0000 17 C9 1.7137 -1.7831 1.1390 C.2 1 noname 0.0000 18 N6 -5.4860 -2.2027 -2.9644 N.3 1 noname 0.0000 19 C10 -6.1352 -1.6830 -1.9173 C.2 1 noname 0.0000 20 N7 -2.2587 -5.0854 1.0872 N.3 1 noname 0.0000 21 C11 -1.7635 -5.4175 -0.1094 C.2 1 noname 0.0000 22 N8 -1.3571 2.4985 -2.1280 N.3 1 noname 0.0000 23 C12 -1.3613 2.8559 -0.8711 C.2 1 noname 0.0000 24 H1 -1.5513 -1.9049 -3.2534 H 1 noname 0.0000 25 H2 -0.1330 -1.9049 -2.3855 H 1 noname 0.0000 26 H3 -2.8064 -0.6176 2.0255 H 1 noname 0.0000 27 H4 -4.2320 -0.6176 1.1697 H 1 noname 0.0000 28 H5 -1.0610 -0.9734 2.5334 H 1 noname 0.0000 29 H6 1.0520 -2.0052 -0.9636 H 1 noname 0.0000 30 H7 -3.4280 -2.0793 -3.6129 H 1 noname 0.0000 31 H8 -5.3722 -0.3875 -0.2715 H 1 noname 0.0000 32 H9 -3.3258 -3.3436 1.7886 H 1 noname 0.0000 33 H10 -1.8050 -4.2818 -2.0251 H 1 noname 0.0000 34 H11 -1.6866 0.5945 -3.0582 H 1 noname 0.0000 35 H12 -1.7135 1.6458 0.8917 H 1 noname 0.0000 36 H13 1.3767 -1.3708 3.1699 H 1 noname 0.0000 37 H14 2.7799 -2.0086 1.1181 H 1 noname 0.0000 38 H15 -5.9005 -2.7522 -3.7035 H 1 noname 0.0000 39 H16 -7.2031 -1.7900 -1.7268 H 1 noname 0.0000 40 H17 -2.2490 -5.6664 1.9134 H 1 noname 0.0000 41 H18 -1.2800 -6.3651 -0.3469 H 1 noname 0.0000 42 H19 -1.1867 3.1010 -2.9205 H 1 noname 0.0000 43 H20 -1.1827 3.8570 -0.4786 H 1 noname 0.0000 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 1 5 1 5 1 6 1 6 1 7 1 7 4 8 2 8 4 9 1 9 5 10 2 10 5 11 1 11 6 12 2 12 6 13 1 13 7 14 2 14 7 15 1 15 8 16 1 16 9 17 2 17 10 18 1 18 11 19 2 19 12 20 1 20 13 21 2 21 14 22 1 22 15 23 2 23 16 17 1 24 18 19 1 25 20 21 1 26 22 23 1 27 2 24 1 28 2 25 1 29 3 26 1 30 3 27 1 31 8 28 1 32 9 29 1 33 10 30 1 34 11 31 1 35 12 32 1 36 13 33 1 37 14 34 1 38 15 35 1 39 16 36 1 40 17 37 1 41 18 38 1 42 19 39 1 43 20 40 1 44 21 41 1 45 22 42 1 46 23 43 1 @SUBSTRUCTURE 1 noname 1