%VERSION VERSION_STAMP = V0001.000 DATE = 04/08/05 08:32:22 %FLAG TITLE %FORMAT(20a4) %FLAG POINTERS %FORMAT(10I8) 2854 15 1015 2062 2407 3179 4236 5129 0 0 15895 90 2062 3179 5129 37 76 34 25 0 0 0 0 0 0 0 0 0 34 0 0 %FLAG ATOM_NAME %FORMAT(20a4) H5T O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1 H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1 H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1 H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1 H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2 O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2 O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1 H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2 O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2 C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1 H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' H3T H5T O5' C5' H5'1 H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2 O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1 H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1 H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2 O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1 H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1 H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1 H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2'1H2'2 O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2'1H2'2O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2'1H2'2O3' H3T %FLAG CHARGE %FORMAT(5E16.8) 8.05790106E+00 -1.15128491E+01 -1.25733870E-01 1.37396142E+00 1.37396142E+00 2.96841267E+00 2.14294248E+00 -6.72585093E+00 6.52358340E-01 3.18161358E+00 1.05142671E+00 1.34116128E+00 3.63899331E+00 -1.04322668E+01 3.62805993E+00 8.96172714E+00 -1.03848888E+01 -9.20772819E+00 6.41424960E+00 1.35428134E+01 -1.68191829E+01 7.71714405E+00 7.71714405E+00 -1.20923183E+01 3.30552522E+00 1.29924999E+00 1.79489655E+00 -1.55618442E+00 1.30836114E+00 1.30836114E+00 -9.53390736E+00 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8 8 10 7 11 8 7 11 11 7 8 3 4 3 12 12 5 13 10 10 5 3 4 4 3 4 5 3 6 7 8 14 8 3 12 12 12 8 10 7 11 8 10 3 4 3 12 12 5 13 10 10 5 3 4 4 3 4 5 3 6 7 8 14 8 15 8 7 11 11 7 8 10 3 4 3 12 12 5 13 10 10 5 3 4 4 3 4 5 3 6 7 8 9 7 8 8 7 11 11 7 8 9 7 8 3 4 3 12 12 5 13 10 10 5 3 4 4 3 4 5 3 6 7 8 9 7 8 8 10 7 11 8 7 11 11 7 8 3 4 3 12 12 5 13 10 10 5 3 4 4 3 4 5 3 6 7 8 14 8 3 12 12 12 8 10 7 11 8 10 3 4 3 12 12 5 13 10 10 5 3 4 4 3 4 5 3 6 7 8 14 8 15 8 7 11 11 7 8 10 3 4 3 12 12 5 13 10 10 5 3 4 4 3 4 5 3 6 7 8 9 7 8 8 7 11 11 7 8 9 7 8 3 4 3 12 12 5 13 10 10 5 3 4 4 3 4 5 3 6 7 8 14 8 15 8 7 11 11 7 8 10 3 4 3 12 12 2 1 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 5 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 6 5 4 2 1 1 1 5 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 6 5 4 2 1 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 92 106 2 3 5 8 12 17 23 30 38 47 57 68 80 93 107 4 5 6 9 13 18 24 31 39 48 58 69 81 94 108 7 8 9 10 14 19 25 32 40 49 59 70 82 95 109 11 12 13 14 15 20 26 33 41 50 60 71 83 96 110 16 17 18 19 20 21 27 34 42 51 61 72 84 97 111 22 23 24 25 26 27 28 35 43 52 62 73 85 98 112 29 30 31 32 33 34 35 36 44 53 63 74 86 99 113 37 38 39 40 41 42 43 44 45 54 64 75 87 100 114 46 47 48 49 50 51 52 53 54 55 65 76 88 101 115 56 57 58 59 60 61 62 63 64 65 66 77 89 102 116 67 68 69 70 71 72 73 74 75 76 77 78 90 103 117 79 80 81 82 83 84 85 86 87 88 89 90 91 104 118 92 93 94 95 96 97 98 99 100 101 102 103 104 105 119 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 %FLAG RESIDUE_LABEL %FORMAT(20a4) DG5 DT DG DA DC DT DG DA DC DT DG DA DC DT DG DG DT DG DA DC DT DG DA DC DT DG DA DC DT DG DG DT DG DA DC DT DG DA DC DT DG DA DC DT DG3 DC5 DA DG DT DC DA DG DT DC DA DG DT DC DA DC DC DA DG DT DC DA DG DT DC DA DG DT DC DA DC DC DA DG DT DC DA DG DT DC DA DG DT DC DA DC3 %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 32 64 97 129 159 191 224 256 286 318 351 383 413 445 478 511 543 576 608 638 670 703 735 765 797 830 862 892 924 957 990 1022 1055 1087 1117 1149 1182 1214 1244 1276 1309 1341 1371 1403 1437 1465 1497 1530 1562 1592 1624 1657 1689 1719 1751 1784 1816 1846 1878 1908 1938 1970 2003 2035 2065 2097 2130 2162 2192 2224 2257 2289 2319 2351 2381 2411 2443 2476 2508 2538 2570 2603 2635 2665 2697 2730 2762 2792 2824 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 2.30000000E+02 3.40000000E+02 3.40000000E+02 3.10000000E+02 3.20000000E+02 4.61000000E+02 4.34000000E+02 4.81000000E+02 4.83000000E+02 4.34000000E+02 4.27000000E+02 5.70000000E+02 4.18000000E+02 4.47000000E+02 5.20000000E+02 4.14000000E+02 3.67000000E+02 5.29000000E+02 4.40000000E+02 4.36000000E+02 3.40000000E+02 3.37000000E+02 3.20000000E+02 5.53000000E+02 3.17000000E+02 4.10000000E+02 3.67000000E+02 5.49000000E+02 4.48000000E+02 4.24000000E+02 5.25000000E+02 3.67000000E+02 5.02000000E+02 4.69000000E+02 4.57000000E+02 3.67000000E+02 4.27000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.61000000E+00 1.09000000E+00 1.09000000E+00 1.52600000E+00 1.41000000E+00 1.35400000E+00 1.01000000E+00 1.34000000E+00 1.33900000E+00 1.01000000E+00 1.38100000E+00 1.22900000E+00 1.38800000E+00 1.41900000E+00 1.37000000E+00 1.39100000E+00 1.08000000E+00 1.30400000E+00 1.37100000E+00 1.37400000E+00 1.09000000E+00 1.47500000E+00 1.41000000E+00 9.60000000E-01 1.51000000E+00 1.44400000E+00 1.08000000E+00 1.35000000E+00 1.36500000E+00 1.38300000E+00 1.48000000E+00 1.08000000E+00 1.32400000E+00 1.40400000E+00 1.35800000E+00 1.08000000E+00 1.43300000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 1.00000000E+02 4.50000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 1.00000000E+02 3.50000000E+01 7.00000000E+01 3.50000000E+01 7.00000000E+01 3.00000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01 6.30000000E+01 3.00000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 3.50000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 3.50000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 6.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 8.00000000E+01 7.00000000E+01 3.50000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 3.50000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 7.00000000E+01 1.40000000E+02 3.50000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 3.50000000E+01 7.00000000E+01 7.00000000E+01 3.50000000E+01 6.30000000E+01 7.00000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 1.88897066E+00 1.79070858E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.10312265E+00 2.09439600E+00 2.08217869E+00 2.09439600E+00 1.95826026E+00 2.05948940E+00 2.02458280E+00 2.15199189E+00 2.10486798E+00 2.08043336E+00 2.03854544E+00 2.18515316E+00 2.24798504E+00 1.94255229E+00 2.22878641E+00 2.26892900E+00 1.92684432E+00 2.14762857E+00 1.83957782E+00 1.81165254E+00 1.91113635E+00 2.14762857E+00 1.98793087E+00 1.85354046E+00 2.20260646E+00 1.91113635E+00 1.91113635E+00 2.24798504E+00 2.19562514E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 2.20609712E+00 2.08916001E+00 1.91113635E+00 2.18689849E+00 1.99142153E+00 2.08916001E+00 2.12232128E+00 2.08916001E+00 2.10661331E+00 2.07868803E+00 2.11533996E+00 2.01411082E+00 2.11010397E+00 2.11533996E+00 2.05250808E+00 2.09265067E+00 2.01498349E+00 1.93731630E+00 2.25322103E+00 2.04727209E+00 2.06996138E+00 2.15548255E+00 2.04727209E+00 2.31081692E+00 2.13802925E+00 2.10312265E+00 2.15199189E+00 2.09614133E+00 2.12057595E+00 2.08916001E+00 2.04203610E+00 2.06996138E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 1.20000000E+00 2.50000000E-01 1.55555556E-01 3.83333333E-01 0.00000000E+00 2.40000000E+00 4.80000000E+00 1.50000000E+00 3.00000000E+00 1.35000000E+00 5.45000000E+00 4.15000000E+00 1.70000000E+00 1.00000000E+01 1.65000000E+00 2.55000000E+00 1.00000000E-01 3.83000000E-01 1.00000000E+00 1.44000000E-01 2.50000000E+00 5.00000000E-01 1.66666667E-01 0.00000000E+00 2.17500000E+00 1.85000000E+00 6.65000000E+00 1.45000000E+00 6.80000000E+00 3.50000000E+00 4.00000000E+00 1.00000000E+00 1.10000000E+00 1.05000000E+01 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 2.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 %FLAG SOLTY %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 5.81803229E+05 0.00000000E+00 7.91544157E+05 1.04308023E+06 0.00000000E+00 4.66922514E+04 6.78771368E+04 3.25969625E+03 0.00000000E+00 4.58874091E+05 6.28541240E+05 3.63097246E+04 3.61397723E+05 0.00000000E+00 3.15360051E+04 4.68930885E+04 2.09814978E+03 2.44050579E+04 1.32801250E+03 0.00000000E+00 7.44975864E+05 9.95480466E+05 6.20665997E+04 5.89818288E+05 4.24594555E+04 9.44293233E+05 0.00000000E+00 7.01803794E+05 9.24822270E+05 6.01816484E+04 5.57281136E+05 4.15766412E+04 8.82619071E+05 8.19971662E+05 0.00000000E+00 4.09427581E+04 5.98885646E+04 2.82099197E+03 3.17965283E+04 1.80748014E+03 5.46147253E+04 5.30987710E+04 2.43828624E+03 0.00000000E+00 4.71003287E+05 6.47841731E+05 3.69471530E+04 3.70622491E+05 2.47595516E+04 6.06829342E+05 5.74393458E+05 3.23283631E+04 3.79876399E+05 0.00000000E+00 1.40467023E+03 2.56678134E+03 5.94667300E+01 1.03954408E+03 3.20009193E+01 2.12601181E+03 2.27577561E+03 4.90239937E+01 1.02595236E+03 1.39982777E-01 0.00000000E+00 6.82786631E+04 9.71708117E+04 4.98586848E+03 5.33379252E+04 3.25969625E+03 8.96776989E+04 8.61541883E+04 4.33325458E+03 5.44261042E+04 1.07193646E+02 7.51607703E+03 0.00000000E+00 1.98683736E+06 2.54188684E+06 1.81087383E+05 1.58759528E+06 1.27716552E+05 2.45746558E+06 2.25370349E+06 1.60682053E+05 1.64263766E+06 8.41065839E+03 2.54238516E+05 6.02589390E+06 0.00000000E+00 4.96707306E+04 7.18621074E+04 3.50301067E+03 3.86654993E+04 2.26273716E+03 6.58473870E+04 6.37148278E+04 3.03448006E+03 3.93690817E+04 6.63368273E+01 5.34045360E+03 1.90880272E+05 3.76169105E+03 0.00000000E+00 6.00750218E+04 8.59947003E+04 4.33325458E+03 4.68711055E+04 2.82099197E+03 7.91627154E+04 7.62451550E+04 3.76169105E+03 4.77908183E+04 8.90987508E+01 6.55825601E+03 2.26202022E+05 4.64559155E+03 5.71629601E+03 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 6.99746810E+02 0.00000000E+00 6.93079947E+02 6.75612247E+02 0.00000000E+00 1.03606917E+02 1.06076943E+02 1.43076527E+01 0.00000000E+00 5.89183300E+02 5.85549272E+02 8.66220817E+01 4.95732238E+02 0.00000000E+00 8.51470647E+01 8.81685417E+01 1.14788417E+01 7.10161395E+01 9.13231543E+00 0.00000000E+00 7.50714425E+02 7.36907417E+02 1.13252061E+02 6.33305958E+02 9.36708259E+01 8.01323529E+02 0.00000000E+00 6.14502845E+02 5.99015525E+02 9.40505980E+01 5.19163331E+02 7.81725398E+01 6.53361429E+02 5.31102864E+02 0.00000000E+00 9.59185913E+01 9.85097219E+01 1.31591746E+01 8.01410250E+01 1.05333009E+01 1.05031585E+02 8.73413012E+01 1.20953369E+01 0.00000000E+00 6.29300710E+02 6.26720080E+02 9.21192136E+01 5.29252520E+02 7.54103785E+01 6.77220874E+02 5.55666448E+02 8.51921330E+01 5.64885984E+02 0.00000000E+00 1.79702257E+01 2.06278363E+01 1.93248820E+00 1.46567808E+01 1.41762397E+00 2.09604198E+01 1.82891803E+01 1.73473071E+00 1.53505284E+01 9.37598976E-02 0.00000000E+00 1.25287818E+02 1.26919150E+02 1.76949863E+01 1.04986921E+02 1.43076527E+01 1.36131731E+02 1.12529845E+02 1.63092814E+01 1.11805549E+02 2.59456373E+00 2.17257828E+01 0.00000000E+00 1.27682121E+03 1.22636552E+03 2.01468199E+02 1.08210555E+03 1.69194406E+02 1.34630496E+03 1.08732781E+03 1.87626421E+02 1.16041466E+03 4.34187588E+01 2.38716853E+02 2.19561270E+03 0.00000000E+00 1.05648788E+02 1.07908863E+02 1.46638650E+01 8.83744760E+01 1.17854122E+01 1.15327881E+02 9.56748258E+01 1.34932874E+01 9.40124296E+01 2.01792524E+00 1.81057616E+01 2.04498832E+02 1.50233639E+01 0.00000000E+00 1.16187983E+02 1.18043746E+02 1.63092814E+01 9.73010751E+01 1.31591746E+01 1.26451907E+02 1.04660679E+02 1.50233639E+01 1.03580945E+02 2.33864085E+00 2.00642027E+01 2.22617115E+02 1.66953734E+01 1.85196588E+01 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 81 84 2 81 87 2 75 78 3 60 63 7 60 66 7 51 54 10 33 36 17 24 27 21 15 18 3 6 9 3 6 12 3 0 3 24 177 180 2 177 183 2 171 174 3 159 162 10 141 144 2 141 147 2 141 150 2 132 135 27 123 126 21 114 117 3 105 108 3 105 111 3 276 279 2 276 282 2 270 273 3 255 258 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963 969 3 1134 1137 2 1134 1140 2 1128 1131 3 1116 1119 32 1104 1107 7 1104 1110 7 1089 1092 17 1080 1083 21 1071 1074 3 1062 1065 3 1062 1068 3 1224 1227 2 1224 1230 2 1218 1221 3 1200 1203 7 1200 1206 7 1191 1194 36 1185 1188 27 1176 1179 21 1167 1170 3 1158 1161 3 1158 1164 3 1320 1323 2 1320 1326 2 1314 1317 3 1302 1305 10 1284 1287 2 1284 1290 2 1284 1293 2 1275 1278 27 1266 1269 21 1257 1260 3 1248 1251 3 1248 1254 3 1419 1422 2 1419 1425 2 1413 1416 3 1398 1401 7 1398 1404 7 1389 1392 10 1371 1374 17 1362 1365 21 1353 1356 3 1344 1347 3 1344 1350 3 1518 1521 2 1518 1524 2 1512 1515 3 1497 1500 7 1497 1503 7 1488 1491 10 1470 1473 17 1461 1464 21 1452 1455 3 1443 1446 3 1443 1449 3 1614 1617 2 1614 1620 2 1608 1611 3 1596 1599 10 1578 1581 2 1578 1584 2 1578 1587 2 1569 1572 27 1560 1563 21 1551 1554 3 1542 1545 3 1542 1548 3 1713 1716 2 1713 1719 2 1707 1710 3 1692 1695 7 1692 1698 7 1683 1686 10 1665 1668 17 1656 1659 21 1647 1650 3 1638 1641 3 1638 1644 3 1809 1812 2 1809 1815 2 1803 1806 3 1791 1794 32 1779 1782 7 1779 1785 7 1764 1767 17 1755 1758 21 1746 1749 3 1737 1740 3 1737 1743 3 1899 1902 2 1899 1905 2 1893 1896 3 1875 1878 7 1875 1881 7 1866 1869 36 1860 1863 27 1851 1854 21 1842 1845 3 1833 1836 3 1833 1839 3 1995 1998 2 1995 2001 2 1989 1992 3 1977 1980 10 1959 1962 2 1959 1965 2 1959 1968 2 1950 1953 27 1941 1944 21 1932 1935 3 1923 1926 3 1923 1929 3 2094 2097 2 2094 2100 2 2088 2091 3 2073 2076 7 2073 2079 7 2064 2067 10 2046 2049 17 2037 2040 21 2028 2031 3 2019 2022 3 2019 2025 3 2190 2193 2 2190 2196 2 2184 2187 3 2172 2175 32 2160 2163 7 2160 2166 7 2145 2148 17 2136 2139 21 2127 2130 3 2118 2121 3 2118 2124 3 2280 2283 2 2280 2286 2 2274 2277 3 2256 2259 7 2256 2262 7 2247 2250 36 2241 2244 27 2232 2235 21 2223 2226 3 2214 2217 3 2214 2220 3 2376 2379 2 2376 2382 2 2370 2373 3 2358 2361 10 2340 2343 2 2340 2346 2 2340 2349 2 2331 2334 27 2322 2325 21 2313 2316 3 2304 2307 3 2304 2310 3 2475 2478 2 2475 2481 2 2469 2472 3 2454 2457 7 2454 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17 3093 3096 21 3084 3087 3 3075 3078 3 3075 3081 3 3246 3249 2 3246 3252 2 3240 3243 3 3228 3231 32 3216 3219 7 3216 3222 7 3201 3204 17 3192 3195 21 3183 3186 3 3174 3177 3 3174 3180 3 3336 3339 2 3336 3342 2 3330 3333 3 3312 3315 7 3312 3318 7 3303 3306 36 3297 3300 27 3288 3291 21 3279 3282 3 3270 3273 3 3270 3276 3 3432 3435 2 3432 3438 2 3426 3429 3 3414 3417 10 3396 3399 2 3396 3402 2 3396 3405 2 3387 3390 27 3378 3381 21 3369 3372 3 3360 3363 3 3360 3366 3 3531 3534 2 3531 3537 2 3525 3528 3 3510 3513 7 3510 3516 7 3501 3504 10 3483 3486 17 3474 3477 21 3465 3468 3 3456 3459 3 3456 3462 3 3627 3630 2 3627 3633 2 3621 3624 3 3609 3612 32 3597 3600 7 3597 3603 7 3582 3585 17 3573 3576 21 3564 3567 3 3555 3558 3 3555 3561 3 3717 3720 2 3717 3723 2 3711 3714 3 3693 3696 7 3693 3699 7 3684 3687 36 3678 3681 27 3669 3672 21 3660 3663 3 3651 3654 3 3651 3657 3 3813 3816 2 3813 3819 2 3807 3810 3 3795 3798 10 3777 3780 2 3777 3783 2 3777 3786 2 3768 3771 27 3759 3762 21 3750 3753 3 3741 3744 3 3741 3747 3 3912 3915 2 3912 3918 2 3906 3909 3 3891 3894 7 3891 3897 7 3882 3885 10 3864 3867 17 3855 3858 21 3846 3849 3 3837 3840 3 3837 3843 3 4008 4011 2 4008 4014 2 4002 4005 3 3990 3993 32 3978 3981 7 3978 3984 7 3963 3966 17 3954 3957 21 3945 3948 3 3936 3939 3 3936 3942 3 4098 4101 2 4098 4104 2 4092 4095 3 4074 4077 7 4074 4080 7 4065 4068 36 4059 4062 27 4050 4053 21 4041 4044 3 4032 4035 3 4032 4038 3 4194 4197 2 4194 4200 2 4188 4191 3 4176 4179 10 4158 4161 2 4158 4164 2 4158 4167 2 4149 4152 27 4140 4143 21 4131 4134 3 4122 4125 3 4122 4128 3 4302 4305 24 4293 4296 2 4293 4299 2 4287 4290 3 4272 4275 7 4272 4278 7 4263 4266 10 4245 4248 17 4236 4239 21 4227 4230 3 4218 4221 3 4218 4224 3 4380 4383 2 4380 4386 2 4374 4377 3 4356 4359 7 4356 4362 7 4347 4350 36 4341 4344 27 4332 4335 21 4323 4326 3 4314 4317 3 4314 4320 3 4308 4311 24 4476 4479 2 4476 4482 2 4470 4473 3 4458 4461 32 4446 4449 7 4446 4452 7 4431 4434 17 4422 4425 21 4413 4416 3 4404 4407 3 4404 4410 3 4575 4578 2 4575 4581 2 4569 4572 3 4554 4557 7 4554 4560 7 4545 4548 10 4527 4530 17 4518 4521 21 4509 4512 3 4500 4503 3 4500 4506 3 4671 4674 2 4671 4677 2 4665 4668 3 4653 4656 10 4635 4638 2 4635 4641 2 4635 4644 2 4626 4629 27 4617 4620 21 4608 4611 3 4599 4602 3 4599 4605 3 4761 4764 2 4761 4767 2 4755 4758 3 4737 4740 7 4737 4743 7 4728 4731 36 4722 4725 27 4713 4716 21 4704 4707 3 4695 4698 3 4695 4701 3 4857 4860 2 4857 4863 2 4851 4854 3 4839 4842 32 4827 4830 7 4827 4833 7 4812 4815 17 4803 4806 21 4794 4797 3 4785 4788 3 4785 4791 3 4956 4959 2 4956 4962 2 4950 4953 3 4935 4938 7 4935 4941 7 4926 4929 10 4908 4911 17 4899 4902 21 4890 4893 3 4881 4884 3 4881 4887 3 5052 5055 2 5052 5058 2 5046 5049 3 5034 5037 10 5016 5019 2 5016 5022 2 5016 5025 2 5007 5010 27 4998 5001 21 4989 4992 3 4980 4983 3 4980 4986 3 5142 5145 2 5142 5148 2 5136 5139 3 5118 5121 7 5118 5124 7 5109 5112 36 5103 5106 27 5094 5097 21 5085 5088 3 5076 5079 3 5076 5082 3 5238 5241 2 5238 5244 2 5232 5235 3 5220 5223 32 5208 5211 7 5208 5214 7 5193 5196 17 5184 5187 21 5175 5178 3 5166 5169 3 5166 5172 3 5337 5340 2 5337 5343 2 5331 5334 3 5316 5319 7 5316 5322 7 5307 5310 10 5289 5292 17 5280 5283 21 5271 5274 3 5262 5265 3 5262 5268 3 5433 5436 2 5433 5439 2 5427 5430 3 5415 5418 10 5397 5400 2 5397 5403 2 5397 5406 2 5388 5391 27 5379 5382 21 5370 5373 3 5361 5364 3 5361 5367 3 5523 5526 2 5523 5529 2 5517 5520 3 5499 5502 7 5499 5505 7 5490 5493 36 5484 5487 27 5475 5478 21 5466 5469 3 5457 5460 3 5457 5463 3 5619 5622 2 5619 5625 2 5613 5616 3 5601 5604 32 5589 5592 7 5589 5595 7 5574 5577 17 5565 5568 21 5556 5559 3 5547 5550 3 5547 5553 3 5709 5712 2 5709 5715 2 5703 5706 3 5685 5688 7 5685 5691 7 5676 5679 36 5670 5673 27 5661 5664 21 5652 5655 3 5643 5646 3 5643 5649 3 5799 5802 2 5799 5805 2 5793 5796 3 5775 5778 7 5775 5781 7 5766 5769 36 5760 5763 27 5751 5754 21 5742 5745 3 5733 5736 3 5733 5739 3 5895 5898 2 5895 5901 2 5889 5892 3 5877 5880 32 5865 5868 7 5865 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21 6504 6507 3 6495 6498 3 6495 6501 3 6657 6660 2 6657 6663 2 6651 6654 3 6639 6642 32 6627 6630 7 6627 6633 7 6612 6615 17 6603 6606 21 6594 6597 3 6585 6588 3 6585 6591 3 6756 6759 2 6756 6762 2 6750 6753 3 6735 6738 7 6735 6741 7 6726 6729 10 6708 6711 17 6699 6702 21 6690 6693 3 6681 6684 3 6681 6687 3 6852 6855 2 6852 6858 2 6846 6849 3 6834 6837 10 6816 6819 2 6816 6822 2 6816 6825 2 6807 6810 27 6798 6801 21 6789 6792 3 6780 6783 3 6780 6786 3 6942 6945 2 6942 6948 2 6936 6939 3 6918 6921 7 6918 6924 7 6909 6912 36 6903 6906 27 6894 6897 21 6885 6888 3 6876 6879 3 6876 6882 3 7038 7041 2 7038 7044 2 7032 7035 3 7020 7023 32 7008 7011 7 7008 7014 7 6993 6996 17 6984 6987 21 6975 6978 3 6966 6969 3 6966 6972 3 7128 7131 2 7128 7134 2 7122 7125 3 7104 7107 7 7104 7110 7 7095 7098 36 7089 7092 27 7080 7083 21 7071 7074 3 7062 7065 3 7062 7068 3 7218 7221 2 7218 7224 2 7212 7215 3 7194 7197 7 7194 7200 7 7185 7188 36 7179 7182 27 7170 7173 21 7161 7164 3 7152 7155 3 7152 7158 3 7314 7317 2 7314 7320 2 7308 7311 3 7296 7299 32 7284 7287 7 7284 7290 7 7269 7272 17 7260 7263 21 7251 7254 3 7242 7245 3 7242 7248 3 7413 7416 2 7413 7419 2 7407 7410 3 7392 7395 7 7392 7398 7 7383 7386 10 7365 7368 17 7356 7359 21 7347 7350 3 7338 7341 3 7338 7344 3 7509 7512 2 7509 7515 2 7503 7506 3 7491 7494 10 7473 7476 2 7473 7479 2 7473 7482 2 7464 7467 27 7455 7458 21 7446 7449 3 7437 7440 3 7437 7443 3 7599 7602 2 7599 7605 2 7593 7596 3 7575 7578 7 7575 7581 7 7566 7569 36 7560 7563 27 7551 7554 21 7542 7545 3 7533 7536 3 7533 7539 3 7695 7698 2 7695 7701 2 7689 7692 3 7677 7680 32 7665 7668 7 7665 7671 7 7650 7653 17 7641 7644 21 7632 7635 3 7623 7626 3 7623 7629 3 7794 7797 2 7794 7800 2 7788 7791 3 7773 7776 7 7773 7779 7 7764 7767 10 7746 7749 17 7737 7740 21 7728 7731 3 7719 7722 3 7719 7725 3 7890 7893 2 7890 7896 2 7884 7887 3 7872 7875 10 7854 7857 2 7854 7860 2 7854 7863 2 7845 7848 27 7836 7839 21 7827 7830 3 7818 7821 3 7818 7824 3 7980 7983 2 7980 7986 2 7974 7977 3 7956 7959 7 7956 7962 7 7947 7950 36 7941 7944 27 7932 7935 21 7923 7926 3 7914 7917 3 7914 7920 3 8076 8079 2 8076 8082 2 8070 8073 3 8058 8061 32 8046 8049 7 8046 8052 7 8031 8034 17 8022 8025 21 8013 8016 3 8004 8007 3 8004 8010 3 8175 8178 2 8175 8181 2 8169 8172 3 8154 8157 7 8154 8160 7 8145 8148 10 8127 8130 17 8118 8121 21 8109 8112 3 8100 8103 3 8100 8106 3 8271 8274 2 8271 8277 2 8265 8268 3 8253 8256 10 8235 8238 2 8235 8241 2 8235 8244 2 8226 8229 27 8217 8220 21 8208 8211 3 8199 8202 3 8199 8205 3 8361 8364 2 8361 8367 2 8355 8358 3 8337 8340 7 8337 8343 7 8328 8331 36 8322 8325 27 8313 8316 21 8304 8307 3 8295 8298 3 8295 8301 3 8457 8460 2 8457 8463 2 8451 8454 3 8439 8442 32 8427 8430 7 8427 8433 7 8412 8415 17 8403 8406 21 8394 8397 3 8385 8388 3 8385 8391 3 8556 8559 24 8547 8550 2 8547 8553 2 8541 8544 3 8523 8526 7 8523 8529 7 8514 8517 36 8508 8511 27 8499 8502 21 8490 8493 3 8481 8484 3 8481 8487 3 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 90 93 1 75 81 4 75 90 5 69 72 6 57 60 8 57 69 9 51 57 11 45 48 12 45 51 13 42 45 14 42 72 15 39 42 16 33 39 18 30 33 19 30 72 20 24 30 22 24 81 4 21 24 5 15 21 5 15 75 4 6 15 4 3 6 23 186 189 1 171 177 4 171 186 5 165 168 12 159 165 13 153 156 12 153 159 13 138 141 25 138 153 26 132 138 28 129 132 29 129 165 30 123 129 22 123 177 4 120 123 5 114 120 5 114 171 4 105 114 4 102 105 5 93 96 31 93 99 31 93 102 1 285 288 1 270 276 4 270 285 5 264 267 6 252 255 8 252 264 9 246 252 11 240 243 12 240 246 13 237 240 14 237 267 15 234 237 16 228 234 18 225 228 19 225 267 20 219 225 22 219 276 4 216 219 5 210 216 5 210 270 4 201 210 4 198 201 5 189 192 31 189 195 31 189 198 1 381 384 1 366 372 4 366 381 5 360 363 6 354 360 33 351 354 33 339 342 8 339 351 9 336 339 34 336 363 15 333 336 16 327 333 18 324 327 19 324 363 20 318 324 22 318 372 4 315 318 5 309 315 5 309 366 4 300 309 4 297 300 5 288 291 31 288 294 31 288 297 1 471 474 1 456 462 4 456 471 5 450 453 12 447 450 35 435 438 8 435 447 9 429 435 37 423 429 28 420 423 29 420 450 30 414 420 22 414 462 4 411 414 5 405 411 5 405 456 4 396 405 4 393 396 5 384 387 31 384 390 31 384 393 1 567 570 1 552 558 4 552 567 5 546 549 12 540 546 13 534 537 12 534 540 13 519 522 25 519 534 26 513 519 28 510 513 29 510 546 30 504 510 22 504 558 4 501 504 5 495 501 5 495 552 4 486 495 4 483 486 5 474 477 31 474 480 31 474 483 1 666 669 1 651 657 4 651 666 5 645 648 6 633 636 8 633 645 9 627 633 11 621 624 12 621 627 13 618 621 14 618 648 15 615 618 16 609 615 18 606 609 19 606 648 20 600 606 22 600 657 4 597 600 5 591 597 5 591 651 4 582 591 4 579 582 5 570 573 31 570 576 31 570 579 1 762 765 1 747 753 4 747 762 5 741 744 6 735 741 33 732 735 33 720 723 8 720 732 9 717 720 34 717 744 15 714 717 16 708 714 18 705 708 19 705 744 20 699 705 22 699 753 4 696 699 5 690 696 5 690 747 4 681 690 4 678 681 5 669 672 31 669 675 31 669 678 1 852 855 1 837 843 4 837 852 5 831 834 12 828 831 35 816 819 8 816 828 9 810 816 37 804 810 28 801 804 29 801 831 30 795 801 22 795 843 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7446 7452 5 7446 7503 4 7437 7446 4 7434 7437 5 7425 7428 31 7425 7431 31 7425 7434 1 7608 7611 1 7593 7599 4 7593 7608 5 7587 7590 12 7584 7587 35 7572 7575 8 7572 7584 9 7566 7572 37 7560 7566 28 7557 7560 29 7557 7587 30 7551 7557 22 7551 7599 4 7548 7551 5 7542 7548 5 7542 7593 4 7533 7542 4 7530 7533 5 7521 7524 31 7521 7527 31 7521 7530 1 7704 7707 1 7689 7695 4 7689 7704 5 7683 7686 6 7677 7683 33 7674 7677 33 7662 7665 8 7662 7674 9 7659 7662 34 7659 7686 15 7656 7659 16 7650 7656 18 7647 7650 19 7647 7686 20 7641 7647 22 7641 7695 4 7638 7641 5 7632 7638 5 7632 7689 4 7623 7632 4 7620 7623 5 7611 7614 31 7611 7617 31 7611 7620 1 7803 7806 1 7788 7794 4 7788 7803 5 7782 7785 6 7770 7773 8 7770 7782 9 7764 7770 11 7758 7761 12 7758 7764 13 7755 7758 14 7755 7785 15 7752 7755 16 7746 7752 18 7743 7746 19 7743 7785 20 7737 7743 22 7737 7794 4 7734 7737 5 7728 7734 5 7728 7788 4 7719 7728 4 7716 7719 5 7707 7710 31 7707 7713 31 7707 7716 1 7899 7902 1 7884 7890 4 7884 7899 5 7878 7881 12 7872 7878 13 7866 7869 12 7866 7872 13 7851 7854 25 7851 7866 26 7845 7851 28 7842 7845 29 7842 7878 30 7836 7842 22 7836 7890 4 7833 7836 5 7827 7833 5 7827 7884 4 7818 7827 4 7815 7818 5 7806 7809 31 7806 7812 31 7806 7815 1 7989 7992 1 7974 7980 4 7974 7989 5 7968 7971 12 7965 7968 35 7953 7956 8 7953 7965 9 7947 7953 37 7941 7947 28 7938 7941 29 7938 7968 30 7932 7938 22 7932 7980 4 7929 7932 5 7923 7929 5 7923 7974 4 7914 7923 4 7911 7914 5 7902 7905 31 7902 7908 31 7902 7911 1 8085 8088 1 8070 8076 4 8070 8085 5 8064 8067 6 8058 8064 33 8055 8058 33 8043 8046 8 8043 8055 9 8040 8043 34 8040 8067 15 8037 8040 16 8031 8037 18 8028 8031 19 8028 8067 20 8022 8028 22 8022 8076 4 8019 8022 5 8013 8019 5 8013 8070 4 8004 8013 4 8001 8004 5 7992 7995 31 7992 7998 31 7992 8001 1 8184 8187 1 8169 8175 4 8169 8184 5 8163 8166 6 8151 8154 8 8151 8163 9 8145 8151 11 8139 8142 12 8139 8145 13 8136 8139 14 8136 8166 15 8133 8136 16 8127 8133 18 8124 8127 19 8124 8166 20 8118 8124 22 8118 8175 4 8115 8118 5 8109 8115 5 8109 8169 4 8100 8109 4 8097 8100 5 8088 8091 31 8088 8094 31 8088 8097 1 8280 8283 1 8265 8271 4 8265 8280 5 8259 8262 12 8253 8259 13 8247 8250 12 8247 8253 13 8232 8235 25 8232 8247 26 8226 8232 28 8223 8226 29 8223 8259 30 8217 8223 22 8217 8271 4 8214 8217 5 8208 8214 5 8208 8265 4 8199 8208 4 8196 8199 5 8187 8190 31 8187 8193 31 8187 8196 1 8370 8373 1 8355 8361 4 8355 8370 5 8349 8352 12 8346 8349 35 8334 8337 8 8334 8346 9 8328 8334 37 8322 8328 28 8319 8322 29 8319 8349 30 8313 8319 22 8313 8361 4 8310 8313 5 8304 8310 5 8304 8355 4 8295 8304 4 8292 8295 5 8283 8286 31 8283 8289 31 8283 8292 1 8466 8469 1 8451 8457 4 8451 8466 5 8445 8448 6 8439 8445 33 8436 8439 33 8424 8427 8 8424 8436 9 8421 8424 34 8421 8448 15 8418 8421 16 8412 8418 18 8409 8412 19 8409 8448 20 8403 8409 22 8403 8457 4 8400 8403 5 8394 8400 5 8394 8451 4 8385 8394 4 8382 8385 5 8373 8376 31 8373 8379 31 8373 8382 1 8541 8547 4 8541 8556 23 8535 8538 12 8532 8535 35 8520 8523 8 8520 8532 9 8514 8520 37 8508 8514 28 8505 8508 29 8505 8535 30 8499 8505 22 8499 8547 4 8496 8499 5 8490 8496 5 8490 8541 4 8481 8490 4 8478 8481 5 8469 8472 31 8469 8475 31 8469 8478 1 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 84 81 87 3 78 75 81 5 78 75 90 6 75 81 84 7 75 81 87 7 63 60 66 9 57 60 63 11 57 60 66 11 54 51 57 13 45 51 54 18 36 33 39 25 30 33 36 29 27 24 30 33 27 24 81 34 24 81 84 7 24 81 87 7 21 24 27 38 18 15 21 6 18 15 75 5 15 75 78 5 12 6 15 5 9 6 12 41 9 6 15 5 6 15 18 5 3 6 9 42 3 6 12 42 0 3 6 44 180 177 183 3 174 171 177 5 174 171 186 6 171 177 180 7 171 177 183 7 162 159 165 18 153 159 162 18 147 141 150 3 144 141 147 3 144 141 150 3 138 141 144 47 138 141 147 47 138 141 150 47 135 132 138 50 129 132 135 54 126 123 129 33 126 123 177 34 123 177 180 7 123 177 183 7 120 123 126 38 117 114 120 6 117 114 171 5 114 171 174 5 111 105 114 5 108 105 111 41 108 105 114 5 105 114 117 5 102 105 108 6 102 105 111 6 279 276 282 3 273 270 276 5 273 270 285 6 270 276 279 7 270 276 282 7 258 255 261 9 252 255 258 11 252 255 261 11 249 246 252 13 240 246 249 18 231 228 234 25 225 228 231 29 222 219 225 33 222 219 276 34 219 276 279 7 219 276 282 7 216 219 222 38 213 210 216 6 213 210 270 5 210 270 273 5 207 201 210 5 204 201 207 41 204 201 210 5 201 210 213 5 198 201 204 6 198 201 207 6 375 372 378 3 369 366 372 5 369 366 381 6 366 372 375 7 366 372 378 7 357 354 360 61 351 354 357 61 345 342 348 9 339 342 345 11 339 342 348 11 330 327 333 25 324 327 330 29 321 318 324 33 321 318 372 34 318 372 375 7 318 372 378 7 315 318 321 38 312 309 315 6 312 309 366 5 309 366 369 5 306 300 309 5 303 300 306 41 303 300 309 5 300 309 312 5 297 300 303 6 297 300 306 6 465 462 468 3 459 456 462 5 459 456 471 6 456 462 465 7 456 462 468 7 441 438 444 9 435 438 441 11 435 438 444 11 432 429 435 71 426 423 429 50 423 429 432 74 420 423 426 54 417 414 420 33 417 414 462 34 414 462 465 7 414 462 468 7 411 414 417 38 408 405 411 6 408 405 456 5 405 456 459 5 402 396 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879 5 864 867 870 6 864 867 873 6 1041 1038 1044 3 1035 1032 1038 5 1035 1032 1047 6 1032 1038 1041 7 1032 1038 1044 7 1020 1017 1023 9 1014 1017 1020 11 1014 1017 1023 11 1011 1008 1014 13 1002 1008 1011 18 993 990 996 25 987 990 993 29 984 981 987 33 984 981 1038 34 981 1038 1041 7 981 1038 1044 7 978 981 984 38 975 972 978 6 975 972 1032 5 972 1032 1035 5 969 963 972 5 966 963 969 41 966 963 972 5 963 972 975 5 960 963 966 6 960 963 969 6 1137 1134 1140 3 1131 1128 1134 5 1131 1128 1143 6 1128 1134 1137 7 1128 1134 1140 7 1119 1116 1122 61 1113 1116 1119 61 1107 1104 1110 9 1101 1104 1107 11 1101 1104 1110 11 1092 1089 1095 25 1086 1089 1092 29 1083 1080 1086 33 1083 1080 1134 34 1080 1134 1137 7 1080 1134 1140 7 1077 1080 1083 38 1074 1071 1077 6 1074 1071 1128 5 1071 1128 1131 5 1068 1062 1071 5 1065 1062 1068 41 1065 1062 1071 5 1062 1071 1074 5 1059 1062 1065 6 1059 1062 1068 6 1227 1224 1230 3 1221 1218 1224 5 1221 1218 1233 6 1218 1224 1227 7 1218 1224 1230 7 1203 1200 1206 9 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1752 1755 1758 38 1749 1746 1752 6 1749 1746 1803 5 1746 1803 1806 5 1743 1737 1746 5 1740 1737 1743 41 1740 1737 1746 5 1737 1746 1749 5 1734 1737 1740 6 1734 1737 1743 6 1902 1899 1905 3 1896 1893 1899 5 1896 1893 1908 6 1893 1899 1902 7 1893 1899 1905 7 1878 1875 1881 9 1872 1875 1878 11 1872 1875 1881 11 1869 1866 1872 71 1863 1860 1866 50 1860 1866 1869 74 1857 1860 1863 54 1854 1851 1857 33 1854 1851 1899 34 1851 1899 1902 7 1851 1899 1905 7 1848 1851 1854 38 1845 1842 1848 6 1845 1842 1893 5 1842 1893 1896 5 1839 1833 1842 5 1836 1833 1839 41 1836 1833 1842 5 1833 1842 1845 5 1830 1833 1836 6 1830 1833 1839 6 1998 1995 2001 3 1992 1989 1995 5 1992 1989 2004 6 1989 1995 1998 7 1989 1995 2001 7 1980 1977 1983 18 1971 1977 1980 18 1965 1959 1968 3 1962 1959 1965 3 1962 1959 1968 3 1956 1959 1962 47 1956 1959 1965 47 1956 1959 1968 47 1953 1950 1956 50 1947 1950 1953 54 1944 1941 1947 33 1944 1941 1995 34 1941 1995 1998 7 1941 1995 2001 7 1938 1941 1944 38 1935 1932 1938 6 1935 1932 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2115 2118 2121 6 2115 2118 2124 6 2283 2280 2286 3 2277 2274 2280 5 2277 2274 2289 6 2274 2280 2283 7 2274 2280 2286 7 2259 2256 2262 9 2253 2256 2259 11 2253 2256 2262 11 2250 2247 2253 71 2244 2241 2247 50 2241 2247 2250 74 2238 2241 2244 54 2235 2232 2238 33 2235 2232 2280 34 2232 2280 2283 7 2232 2280 2286 7 2229 2232 2235 38 2226 2223 2229 6 2226 2223 2274 5 2223 2274 2277 5 2220 2214 2223 5 2217 2214 2220 41 2217 2214 2223 5 2214 2223 2226 5 2211 2214 2217 6 2211 2214 2220 6 2379 2376 2382 3 2373 2370 2376 5 2373 2370 2385 6 2370 2376 2379 7 2370 2376 2382 7 2361 2358 2364 18 2352 2358 2361 18 2346 2340 2349 3 2343 2340 2346 3 2343 2340 2349 3 2337 2340 2343 47 2337 2340 2346 47 2337 2340 2349 47 2334 2331 2337 50 2328 2331 2334 54 2325 2322 2328 33 2325 2322 2376 34 2322 2376 2379 7 2322 2376 2382 7 2319 2322 2325 38 2316 2313 2319 6 2316 2313 2370 5 2313 2370 2373 5 2310 2304 2313 5 2307 2304 2310 41 2307 2304 2313 5 2304 2313 2316 5 2301 2304 2307 6 2301 2304 2310 6 2478 2475 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2637 2640 11 2634 2637 2643 11 2631 2628 2634 71 2625 2622 2628 50 2622 2628 2631 74 2619 2622 2625 54 2616 2613 2619 33 2616 2613 2661 34 2613 2661 2664 7 2613 2661 2667 7 2610 2613 2616 38 2607 2604 2610 6 2607 2604 2655 5 2604 2655 2658 5 2601 2595 2604 5 2598 2595 2601 41 2598 2595 2604 5 2595 2604 2607 5 2592 2595 2598 6 2592 2595 2601 6 2760 2757 2763 3 2754 2751 2757 5 2754 2751 2766 6 2751 2757 2760 7 2751 2757 2763 7 2742 2739 2745 18 2733 2739 2742 18 2727 2721 2730 3 2724 2721 2727 3 2724 2721 2730 3 2718 2721 2724 47 2718 2721 2727 47 2718 2721 2730 47 2715 2712 2718 50 2709 2712 2715 54 2706 2703 2709 33 2706 2703 2757 34 2703 2757 2760 7 2703 2757 2763 7 2700 2703 2706 38 2697 2694 2700 6 2697 2694 2751 5 2694 2751 2754 5 2691 2685 2694 5 2688 2685 2691 41 2688 2685 2694 5 2685 2694 2697 5 2682 2685 2688 6 2682 2685 2691 6 2859 2856 2862 3 2853 2850 2856 5 2853 2850 2865 6 2850 2856 2859 7 2850 2856 2862 7 2838 2835 2841 9 2832 2835 2838 11 2832 2835 2841 11 2829 2826 2832 13 2820 2826 2829 18 2811 2808 2814 25 2805 2808 2811 29 2802 2799 2805 33 2802 2799 2856 34 2799 2856 2859 7 2799 2856 2862 7 2796 2799 2802 38 2793 2790 2796 6 2793 2790 2850 5 2790 2850 2853 5 2787 2781 2790 5 2784 2781 2787 41 2784 2781 2790 5 2781 2790 2793 5 2778 2781 2784 6 2778 2781 2787 6 2958 2955 2961 3 2952 2949 2955 5 2952 2949 2964 6 2949 2955 2958 7 2949 2955 2961 7 2937 2934 2940 9 2931 2934 2937 11 2931 2934 2940 11 2928 2925 2931 13 2919 2925 2928 18 2910 2907 2913 25 2904 2907 2910 29 2901 2898 2904 33 2901 2898 2955 34 2898 2955 2958 7 2898 2955 2961 7 2895 2898 2901 38 2892 2889 2895 6 2892 2889 2949 5 2889 2949 2952 5 2886 2880 2889 5 2883 2880 2886 41 2883 2880 2889 5 2880 2889 2892 5 2877 2880 2883 6 2877 2880 2886 6 3054 3051 3057 3 3048 3045 3051 5 3048 3045 3060 6 3045 3051 3054 7 3045 3051 3057 7 3036 3033 3039 18 3027 3033 3036 18 3021 3015 3024 3 3018 3015 3021 3 3018 3015 3024 3 3012 3015 3018 47 3012 3015 3021 47 3012 3015 3024 47 3009 3006 3012 50 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7080 7128 34 7080 7128 7131 7 7080 7128 7134 7 7077 7080 7083 38 7074 7071 7077 6 7074 7071 7122 5 7071 7122 7125 5 7068 7062 7071 5 7065 7062 7068 41 7065 7062 7071 5 7062 7071 7074 5 7059 7062 7065 6 7059 7062 7068 6 7221 7218 7224 3 7215 7212 7218 5 7215 7212 7227 6 7212 7218 7221 7 7212 7218 7224 7 7197 7194 7200 9 7191 7194 7197 11 7191 7194 7200 11 7188 7185 7191 71 7182 7179 7185 50 7179 7185 7188 74 7176 7179 7182 54 7173 7170 7176 33 7173 7170 7218 34 7170 7218 7221 7 7170 7218 7224 7 7167 7170 7173 38 7164 7161 7167 6 7164 7161 7212 5 7161 7212 7215 5 7158 7152 7161 5 7155 7152 7158 41 7155 7152 7161 5 7152 7161 7164 5 7149 7152 7155 6 7149 7152 7158 6 7317 7314 7320 3 7311 7308 7314 5 7311 7308 7323 6 7308 7314 7317 7 7308 7314 7320 7 7299 7296 7302 61 7293 7296 7299 61 7287 7284 7290 9 7281 7284 7287 11 7281 7284 7290 11 7272 7269 7275 25 7266 7269 7272 29 7263 7260 7266 33 7263 7260 7314 34 7260 7314 7317 7 7260 7314 7320 7 7257 7260 7263 38 7254 7251 7257 6 7254 7251 7308 5 7251 7308 7311 5 7248 7242 7251 5 7245 7242 7248 41 7245 7242 7251 5 7242 7251 7254 5 7239 7242 7245 6 7239 7242 7248 6 7416 7413 7419 3 7410 7407 7413 5 7410 7407 7422 6 7407 7413 7416 7 7407 7413 7419 7 7395 7392 7398 9 7389 7392 7395 11 7389 7392 7398 11 7386 7383 7389 13 7377 7383 7386 18 7368 7365 7371 25 7362 7365 7368 29 7359 7356 7362 33 7359 7356 7413 34 7356 7413 7416 7 7356 7413 7419 7 7353 7356 7359 38 7350 7347 7353 6 7350 7347 7407 5 7347 7407 7410 5 7344 7338 7347 5 7341 7338 7344 41 7341 7338 7347 5 7338 7347 7350 5 7335 7338 7341 6 7335 7338 7344 6 7512 7509 7515 3 7506 7503 7509 5 7506 7503 7518 6 7503 7509 7512 7 7503 7509 7515 7 7494 7491 7497 18 7485 7491 7494 18 7479 7473 7482 3 7476 7473 7479 3 7476 7473 7482 3 7470 7473 7476 47 7470 7473 7479 47 7470 7473 7482 47 7467 7464 7470 50 7461 7464 7467 54 7458 7455 7461 33 7458 7455 7509 34 7455 7509 7512 7 7455 7509 7515 7 7452 7455 7458 38 7449 7446 7452 6 7449 7446 7503 5 7446 7503 7506 5 7443 7437 7446 5 7440 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3 7791 7788 7794 5 7791 7788 7803 6 7788 7794 7797 7 7788 7794 7800 7 7776 7773 7779 9 7770 7773 7776 11 7770 7773 7779 11 7767 7764 7770 13 7758 7764 7767 18 7749 7746 7752 25 7743 7746 7749 29 7740 7737 7743 33 7740 7737 7794 34 7737 7794 7797 7 7737 7794 7800 7 7734 7737 7740 38 7731 7728 7734 6 7731 7728 7788 5 7728 7788 7791 5 7725 7719 7728 5 7722 7719 7725 41 7722 7719 7728 5 7719 7728 7731 5 7716 7719 7722 6 7716 7719 7725 6 7893 7890 7896 3 7887 7884 7890 5 7887 7884 7899 6 7884 7890 7893 7 7884 7890 7896 7 7875 7872 7878 18 7866 7872 7875 18 7860 7854 7863 3 7857 7854 7860 3 7857 7854 7863 3 7851 7854 7857 47 7851 7854 7860 47 7851 7854 7863 47 7848 7845 7851 50 7842 7845 7848 54 7839 7836 7842 33 7839 7836 7890 34 7836 7890 7893 7 7836 7890 7896 7 7833 7836 7839 38 7830 7827 7833 6 7830 7827 7884 5 7827 7884 7887 5 7824 7818 7827 5 7821 7818 7824 41 7821 7818 7827 5 7818 7827 7830 5 7815 7818 7821 6 7815 7818 7824 6 7983 7980 7986 3 7977 7974 7980 5 7977 7974 7989 6 7974 7980 7983 7 7974 7980 7986 7 7959 7956 7962 9 7953 7956 7959 11 7953 7956 7962 11 7950 7947 7953 71 7944 7941 7947 50 7941 7947 7950 74 7938 7941 7944 54 7935 7932 7938 33 7935 7932 7980 34 7932 7980 7983 7 7932 7980 7986 7 7929 7932 7935 38 7926 7923 7929 6 7926 7923 7974 5 7923 7974 7977 5 7920 7914 7923 5 7917 7914 7920 41 7917 7914 7923 5 7914 7923 7926 5 7911 7914 7917 6 7911 7914 7920 6 8079 8076 8082 3 8073 8070 8076 5 8073 8070 8085 6 8070 8076 8079 7 8070 8076 8082 7 8061 8058 8064 61 8055 8058 8061 61 8049 8046 8052 9 8043 8046 8049 11 8043 8046 8052 11 8034 8031 8037 25 8028 8031 8034 29 8025 8022 8028 33 8025 8022 8076 34 8022 8076 8079 7 8022 8076 8082 7 8019 8022 8025 38 8016 8013 8019 6 8016 8013 8070 5 8013 8070 8073 5 8010 8004 8013 5 8007 8004 8010 41 8007 8004 8013 5 8004 8013 8016 5 8001 8004 8007 6 8001 8004 8010 6 8178 8175 8181 3 8172 8169 8175 5 8172 8169 8184 6 8169 8175 8178 7 8169 8175 8181 7 8157 8154 8160 9 8151 8154 8157 11 8151 8154 8160 11 8148 8145 8151 13 8139 8145 8148 18 8130 8127 8133 25 8124 8127 8130 29 8121 8118 8124 33 8121 8118 8175 34 8118 8175 8178 7 8118 8175 8181 7 8115 8118 8121 38 8112 8109 8115 6 8112 8109 8169 5 8109 8169 8172 5 8106 8100 8109 5 8103 8100 8106 41 8103 8100 8109 5 8100 8109 8112 5 8097 8100 8103 6 8097 8100 8106 6 8274 8271 8277 3 8268 8265 8271 5 8268 8265 8280 6 8265 8271 8274 7 8265 8271 8277 7 8256 8253 8259 18 8247 8253 8256 18 8241 8235 8244 3 8238 8235 8241 3 8238 8235 8244 3 8232 8235 8238 47 8232 8235 8241 47 8232 8235 8244 47 8229 8226 8232 50 8223 8226 8229 54 8220 8217 8223 33 8220 8217 8271 34 8217 8271 8274 7 8217 8271 8277 7 8214 8217 8220 38 8211 8208 8214 6 8211 8208 8265 5 8208 8265 8268 5 8205 8199 8208 5 8202 8199 8205 41 8202 8199 8208 5 8199 8208 8211 5 8196 8199 8202 6 8196 8199 8205 6 8364 8361 8367 3 8358 8355 8361 5 8358 8355 8370 6 8355 8361 8364 7 8355 8361 8367 7 8340 8337 8343 9 8334 8337 8340 11 8334 8337 8343 11 8331 8328 8334 71 8325 8322 8328 50 8322 8328 8331 74 8319 8322 8325 54 8316 8313 8319 33 8316 8313 8361 34 8313 8361 8364 7 8313 8361 8367 7 8310 8313 8316 38 8307 8304 8310 6 8307 8304 8355 5 8304 8355 8358 5 8301 8295 8304 5 8298 8295 8301 41 8298 8295 8304 5 8295 8304 8307 5 8292 8295 8298 6 8292 8295 8301 6 8460 8457 8463 3 8454 8451 8457 5 8454 8451 8466 6 8451 8457 8460 7 8451 8457 8463 7 8442 8439 8445 61 8436 8439 8442 61 8430 8427 8433 9 8424 8427 8430 11 8424 8427 8433 11 8415 8412 8418 25 8409 8412 8415 29 8406 8403 8409 33 8406 8403 8457 34 8403 8457 8460 7 8403 8457 8463 7 8400 8403 8406 38 8397 8394 8400 6 8397 8394 8451 5 8394 8451 8454 5 8391 8385 8394 5 8388 8385 8391 41 8388 8385 8394 5 8385 8394 8397 5 8382 8385 8388 6 8382 8385 8391 6 8550 8547 8553 3 8544 8541 8547 5 8544 8541 8556 42 8541 8547 8550 7 8541 8547 8553 7 8541 8556 8559 44 8526 8523 8529 9 8520 8523 8526 11 8520 8523 8529 11 8517 8514 8520 71 8511 8508 8514 50 8508 8514 8517 74 8505 8508 8511 54 8502 8499 8505 33 8502 8499 8547 34 8499 8547 8550 7 8499 8547 8553 7 8496 8499 8502 38 8493 8490 8496 6 8493 8490 8541 5 8490 8541 8544 5 8487 8481 8490 5 8484 8481 8487 41 8484 8481 8490 5 8481 8490 8493 5 8478 8481 8484 6 8478 8481 8487 6 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 90 93 96 1 90 93 99 1 90 93 102 2 81 75 90 4 75 90 93 8 60 57 69 10 57 69 72 12 51 57 60 14 51 57 69 15 48 45 51 16 45 42 72 17 45 51 57 19 42 45 48 20 42 45 51 21 42 72 69 22 39 42 45 23 39 42 72 24 33 30 72 26 33 39 42 27 30 24 81 28 30 33 39 30 30 72 42 31 30 72 69 32 24 30 33 35 24 30 72 36 24 81 75 37 21 15 75 4 21 24 30 39 21 24 81 4 15 21 24 40 15 75 81 37 15 75 90 4 6 15 21 4 6 15 75 37 3 6 15 43 186 189 192 1 186 189 195 1 186 189 198 2 177 171 186 4 171 186 189 8 159 165 168 16 156 153 159 16 153 159 165 45 141 138 153 46 138 153 156 48 138 153 159 49 132 129 165 51 132 138 141 52 132 138 153 53 129 123 177 28 129 132 138 55 129 165 159 56 129 165 168 57 123 129 132 58 123 129 165 59 123 177 171 37 120 114 171 4 120 123 129 39 120 123 177 4 114 120 123 40 114 171 177 37 114 171 186 4 105 114 120 4 105 114 171 37 102 105 114 4 99 93 102 1 96 93 99 60 96 93 102 1 93 102 105 8 285 288 291 1 285 288 294 1 285 288 297 2 276 270 285 4 270 285 288 8 255 252 264 10 252 264 267 12 246 252 255 14 246 252 264 15 243 240 246 16 240 237 267 17 240 246 252 19 237 240 243 20 237 240 246 21 237 267 264 22 234 237 240 23 234 237 267 24 228 225 267 26 228 234 237 27 225 219 276 28 225 228 234 30 225 267 237 31 225 267 264 32 219 225 228 35 219 225 267 36 219 276 270 37 216 210 270 4 216 219 225 39 216 219 276 4 210 216 219 40 210 270 276 37 210 270 285 4 201 210 216 4 201 210 270 37 198 201 210 4 195 189 198 1 192 189 195 60 192 189 198 1 189 198 201 8 381 384 387 1 381 384 390 1 381 384 393 2 372 366 381 4 366 381 384 8 354 360 363 62 351 354 360 63 342 339 351 10 339 336 363 64 339 351 354 65 336 339 342 66 336 339 351 67 336 363 360 22 333 336 339 68 333 336 363 24 327 324 363 26 327 333 336 27 324 318 372 28 324 327 333 30 324 363 336 31 324 363 360 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1233 4 1158 1167 1173 4 1158 1167 1218 37 1155 1158 1167 4 1152 1146 1155 1 1149 1146 1152 60 1149 1146 1155 1 1146 1155 1158 8 1329 1332 1335 1 1329 1332 1338 1 1329 1332 1341 2 1320 1314 1329 4 1314 1329 1332 8 1302 1308 1311 16 1299 1296 1302 16 1296 1302 1308 45 1284 1281 1296 46 1281 1296 1299 48 1281 1296 1302 49 1275 1272 1308 51 1275 1281 1284 52 1275 1281 1296 53 1272 1266 1320 28 1272 1275 1281 55 1272 1308 1302 56 1272 1308 1311 57 1266 1272 1275 58 1266 1272 1308 59 1266 1320 1314 37 1263 1257 1314 4 1263 1266 1272 39 1263 1266 1320 4 1257 1263 1266 40 1257 1314 1320 37 1257 1314 1329 4 1248 1257 1263 4 1248 1257 1314 37 1245 1248 1257 4 1242 1236 1245 1 1239 1236 1242 60 1239 1236 1245 1 1236 1245 1248 8 1428 1431 1434 1 1428 1431 1437 1 1428 1431 1440 2 1419 1413 1428 4 1413 1428 1431 8 1398 1395 1407 10 1395 1407 1410 12 1389 1395 1398 14 1389 1395 1407 15 1386 1383 1389 16 1383 1380 1410 17 1383 1389 1395 19 1380 1383 1386 20 1380 1383 1389 21 1380 1410 1407 22 1377 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8070 37 8001 8004 8013 4 7998 7992 8001 1 7995 7992 7998 60 7995 7992 8001 1 7992 8001 8004 8 8184 8187 8190 1 8184 8187 8193 1 8184 8187 8196 2 8175 8169 8184 4 8169 8184 8187 8 8154 8151 8163 10 8151 8163 8166 12 8145 8151 8154 14 8145 8151 8163 15 8142 8139 8145 16 8139 8136 8166 17 8139 8145 8151 19 8136 8139 8142 20 8136 8139 8145 21 8136 8166 8163 22 8133 8136 8139 23 8133 8136 8166 24 8127 8124 8166 26 8127 8133 8136 27 8124 8118 8175 28 8124 8127 8133 30 8124 8166 8136 31 8124 8166 8163 32 8118 8124 8127 35 8118 8124 8166 36 8118 8175 8169 37 8115 8109 8169 4 8115 8118 8124 39 8115 8118 8175 4 8109 8115 8118 40 8109 8169 8175 37 8109 8169 8184 4 8100 8109 8115 4 8100 8109 8169 37 8097 8100 8109 4 8094 8088 8097 1 8091 8088 8094 60 8091 8088 8097 1 8088 8097 8100 8 8280 8283 8286 1 8280 8283 8289 1 8280 8283 8292 2 8271 8265 8280 4 8265 8280 8283 8 8253 8259 8262 16 8250 8247 8253 16 8247 8253 8259 45 8235 8232 8247 46 8232 8247 8250 48 8232 8247 8253 49 8226 8223 8259 51 8226 8232 8235 52 8226 8232 8247 53 8223 8217 8271 28 8223 8226 8232 55 8223 8259 8253 56 8223 8259 8262 57 8217 8223 8226 58 8217 8223 8259 59 8217 8271 8265 37 8214 8208 8265 4 8214 8217 8223 39 8214 8217 8271 4 8208 8214 8217 40 8208 8265 8271 37 8208 8265 8280 4 8199 8208 8214 4 8199 8208 8265 37 8196 8199 8208 4 8193 8187 8196 1 8190 8187 8193 60 8190 8187 8196 1 8187 8196 8199 8 8370 8373 8376 1 8370 8373 8379 1 8370 8373 8382 2 8361 8355 8370 4 8355 8370 8373 8 8346 8349 8352 69 8337 8334 8346 10 8334 8346 8349 70 8328 8334 8337 72 8328 8334 8346 73 8322 8319 8349 51 8322 8328 8334 75 8319 8313 8361 28 8319 8322 8328 55 8319 8349 8346 76 8319 8349 8352 57 8313 8319 8322 58 8313 8319 8349 59 8313 8361 8355 37 8310 8304 8355 4 8310 8313 8319 39 8310 8313 8361 4 8304 8310 8313 40 8304 8355 8361 37 8304 8355 8370 4 8295 8304 8310 4 8295 8304 8355 37 8292 8295 8304 4 8289 8283 8292 1 8286 8283 8289 60 8286 8283 8292 1 8283 8292 8295 8 8466 8469 8472 1 8466 8469 8475 1 8466 8469 8478 2 8457 8451 8466 4 8451 8466 8469 8 8439 8445 8448 62 8436 8439 8445 63 8427 8424 8436 10 8424 8421 8448 64 8424 8436 8439 65 8421 8424 8427 66 8421 8424 8436 67 8421 8448 8445 22 8418 8421 8424 68 8418 8421 8448 24 8412 8409 8448 26 8412 8418 8421 27 8409 8403 8457 28 8409 8412 8418 30 8409 8448 8421 31 8409 8448 8445 32 8403 8409 8412 35 8403 8409 8448 36 8403 8457 8451 37 8400 8394 8451 4 8400 8403 8409 39 8400 8403 8457 4 8394 8400 8403 40 8394 8451 8457 37 8394 8451 8466 4 8385 8394 8400 4 8385 8394 8451 37 8382 8385 8394 4 8379 8373 8382 1 8376 8373 8379 60 8376 8373 8382 1 8373 8382 8385 8 8547 8541 8556 43 8532 8535 8538 69 8523 8520 8532 10 8520 8532 8535 70 8514 8520 8523 72 8514 8520 8532 73 8508 8505 8535 51 8508 8514 8520 75 8505 8499 8547 28 8505 8508 8514 55 8505 8535 8532 76 8505 8535 8538 57 8499 8505 8508 58 8499 8505 8535 59 8499 8547 8541 37 8496 8490 8541 4 8496 8499 8505 39 8496 8499 8547 4 8490 8496 8499 40 8490 8541 8547 37 8490 8541 8556 43 8481 8490 8496 4 8481 8490 8541 37 8478 8481 8490 4 8475 8469 8478 1 8472 8469 8475 60 8472 8469 8478 1 8469 8478 8481 8 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 87 81 75 90 3 84 81 75 90 3 78 75 81 84 3 78 75 81 87 3 78 75 90 93 4 66 60 57 69 6 63 60 57 69 6 54 51 57 60 8 54 51 57 69 8 51 57 60 63 6 51 57 60 66 6 48 45 51 54 10 42 45 51 54 10 36 33 30 72 13 36 33 39 42 14 30 24 81 84 3 30 24 81 87 3 27 24 30 33 5 27 24 30 72 5 27 24 81 75 3 27 24 81 84 3 27 24 81 87 3 24 30 33 36 13 24 81 75 78 3 21 15 75 78 3 21 24 81 84 3 21 24 81 87 3 18 15 21 24 4 18 15 75 78 3 18 15 75 81 3 18 15 75 90 3 15 21 24 27 4 15 75 81 84 3 15 75 81 87 3 12 6 15 18 3 12 6 15 21 3 12 6 15 75 3 9 6 15 18 3 9 6 15 21 3 9 6 15 75 3 6 15 75 78 3 3 6 15 18 3 0 3 6 9 23 0 3 6 12 23 0 3 6 15 23 183 177 171 186 3 180 177 171 186 3 174 171 177 180 3 174 171 177 183 3 174 171 186 189 4 162 159 165 168 10 156 153 159 162 10 150 141 138 153 24 147 141 138 153 24 144 141 138 153 24 138 153 159 162 10 135 132 129 165 26 135 132 138 141 27 135 132 138 153 27 132 138 141 144 24 132 138 141 147 24 132 138 141 150 24 129 123 177 180 3 129 123 177 183 3 129 165 159 162 10 126 123 129 132 5 126 123 129 165 5 126 123 177 171 3 126 123 177 180 3 126 123 177 183 3 123 129 132 135 26 123 177 171 174 3 120 114 171 174 3 120 123 177 180 3 120 123 177 183 3 117 114 120 123 4 117 114 171 174 3 117 114 171 177 3 117 114 171 186 3 114 120 123 126 4 114 171 177 180 3 114 171 177 183 3 111 105 114 117 3 111 105 114 120 3 111 105 114 171 3 108 105 114 117 3 108 105 114 120 3 108 105 114 171 3 105 114 171 174 3 102 105 114 117 3 93 102 105 108 4 93 102 105 111 4 282 276 270 285 3 279 276 270 285 3 273 270 276 279 3 273 270 276 282 3 273 270 285 288 4 261 255 252 264 6 258 255 252 264 6 249 246 252 255 8 249 246 252 264 8 246 252 255 258 6 246 252 255 261 6 243 240 246 249 10 237 240 246 249 10 231 228 225 267 13 231 228 234 237 14 225 219 276 279 3 225 219 276 282 3 222 219 225 228 5 222 219 225 267 5 222 219 276 270 3 222 219 276 279 3 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864 867 876 879 3 855 864 867 870 4 855 864 867 873 4 1044 1038 1032 1047 3 1041 1038 1032 1047 3 1035 1032 1038 1041 3 1035 1032 1038 1044 3 1035 1032 1047 1050 4 1023 1017 1014 1026 6 1020 1017 1014 1026 6 1011 1008 1014 1017 8 1011 1008 1014 1026 8 1008 1014 1017 1020 6 1008 1014 1017 1023 6 1005 1002 1008 1011 10 999 1002 1008 1011 10 993 990 987 1029 13 993 990 996 999 14 987 981 1038 1041 3 987 981 1038 1044 3 984 981 987 990 5 984 981 987 1029 5 984 981 1038 1032 3 984 981 1038 1041 3 984 981 1038 1044 3 981 987 990 993 13 981 1038 1032 1035 3 978 972 1032 1035 3 978 981 1038 1041 3 978 981 1038 1044 3 975 972 978 981 4 975 972 1032 1035 3 975 972 1032 1038 3 975 972 1032 1047 3 972 978 981 984 4 972 1032 1038 1041 3 972 1032 1038 1044 3 969 963 972 975 3 969 963 972 978 3 969 963 972 1032 3 966 963 972 975 3 966 963 972 978 3 966 963 972 1032 3 963 972 1032 1035 3 960 963 972 975 3 951 960 963 966 4 951 960 963 969 4 1140 1134 1128 1143 3 1137 1134 1128 1143 3 1131 1128 1134 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6 1203 1200 1197 1209 6 1194 1191 1197 1200 16 1194 1191 1197 1209 16 1191 1197 1200 1203 6 1191 1197 1200 1206 6 1188 1185 1182 1212 26 1188 1185 1191 1194 27 1188 1185 1191 1197 27 1182 1176 1224 1227 3 1182 1176 1224 1230 3 1182 1185 1191 1194 27 1179 1176 1182 1185 5 1179 1176 1182 1212 5 1179 1176 1224 1218 3 1179 1176 1224 1227 3 1179 1176 1224 1230 3 1176 1182 1185 1188 26 1176 1224 1218 1221 3 1173 1167 1218 1221 3 1173 1176 1224 1227 3 1173 1176 1224 1230 3 1170 1167 1173 1176 4 1170 1167 1218 1221 3 1170 1167 1218 1224 3 1170 1167 1218 1233 3 1167 1173 1176 1179 4 1167 1218 1224 1227 3 1167 1218 1224 1230 3 1164 1158 1167 1170 3 1164 1158 1167 1173 3 1164 1158 1167 1218 3 1161 1158 1167 1170 3 1161 1158 1167 1173 3 1161 1158 1167 1218 3 1158 1167 1218 1221 3 1155 1158 1167 1170 3 1146 1155 1158 1161 4 1146 1155 1158 1164 4 1326 1320 1314 1329 3 1323 1320 1314 1329 3 1317 1314 1320 1323 3 1317 1314 1320 1326 3 1317 1314 1329 1332 4 1305 1302 1308 1311 10 1299 1296 1302 1305 10 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2819 2820 2821 2822 2823 2803 2804 2805 2806 2807 2808 2816 2817 2818 2819 2820 2821 2822 2823 2804 2805 2817 2818 2820 2821 2822 2805 2806 2807 2808 2809 2814 2816 2817 2818 2820 2821 2822 2806 2807 2808 2809 2816 2817 2820 2807 2808 2817 2808 2809 2810 2813 2816 2817 2809 2810 2811 2812 2813 2814 2816 2817 2810 2811 2812 2813 2814 2815 2816 2817 2811 2812 2813 2814 2817 2812 2813 2813 2814 2815 2816 2817 2815 2816 2817 2816 2817 2817 2820 2819 2820 2821 2822 2823 2824 2825 2826 2827 2820 2821 2822 2823 2824 2821 2822 2823 2824 2822 2823 2823 2824 2825 2826 2827 2828 2825 2826 2827 2828 2829 2830 2831 2826 2827 2828 2827 2828 2828 2829 2830 2831 2832 2833 2848 2829 2830 2831 2832 2833 2834 2848 2849 2850 2853 2830 2831 2832 2833 2848 2831 2832 2833 2848 2832 2833 2834 2835 2836 2848 2849 2850 2851 2852 2853 2854 2833 2834 2848 2849 2850 2853 2834 2835 2836 2837 2846 2848 2849 2850 2851 2852 2853 2835 2836 2837 2838 2839 2845 2846 2847 2848 2849 2850 2851 2852 2853 2836 2837 2846 2848 2850 2851 2852 2837 2838 2839 2840 2841 2845 2846 2847 2848 2850 2851 2852 2838 2839 2840 2841 2842 2845 2846 2847 2850 2839 2840 2841 2846 2840 2841 2842 2843 2844 2845 2846 2841 2842 2845 2842 2843 2844 2845 2846 2847 2843 2844 2845 2846 2844 2845 2845 2846 2847 2847 2850 0 2849 2850 2851 2852 2853 2854 2850 2851 2852 2853 2854 2851 2852 2853 2854 2852 2853 2853 2854 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) %FLAG HBOND_BCOEF %FORMAT(5E16.8) %FLAG HBCUT %FORMAT(5E16.8) %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) HO OH CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OH HO HO OH CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OH HO %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) M M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M M M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M E E M E S 3 E B S E E B B B E E S S E E B M E B E E M M E E M M E E M E S 3 E B S E E B B E B E S B E E E B M E B E E M M E E M M E E M E S 3 E B S E S 3 E E E B E B E B E M E B E E M M E E M M E E M E S 3 E B S E S E B B E E S B E M E B E E M M E E M M 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