[ bondedtypes ] ; bonds angles dihedrals impropers 2 2 1 2 [ ACE ] [ atoms ] CA CH3 0.000 0 C C 0.450 1 O O -0.450 1 [ bonds ] C CA gb_27 C O gb_5 C +N gb_19 [ angles ] CA C +N ga_19 O C +N ga_33 [ impropers ] C CA +N O gi_1 [ NH2 ] [ atoms ] N NT -0.83 0 H1 H 0.415 0 H2 H 0.415 0 [ bonds ] N H1 gb_2 N H2 gb_2 -C N gb_9 [ angles ] -O -C N ga_33 -CA -C N ga_19 -C N H1 ga_23 -C N H2 ga_23 H1 N H2 ga_24 [ dihedrals ] -CA -C N H1 gd_14 [ impropers ] -C -O N -CA gi_1 N H H -C gi_1 [ ALA ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH3 0.00000 1 C C 0.450 2 O O -0.450 2 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA C +N gd_40 [ ARG ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH2 0.00000 1 CD CH2 0.09000 2 NE NE -0.11000 2 HE H 0.24000 2 CZ C 0.34000 2 NH1 NZ -0.26000 2 HH11 H 0.24000 2 HH12 H 0.24000 2 NH2 NZ -0.26000 2 HH21 H 0.24000 2 HH22 H 0.24000 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG CD gb_27 CD NE gb_21 NE HE gb_2 NE CZ gb_11 CZ NH1 gb_11 CZ NH2 gb_11 NH1 HH11 gb_2 NH1 HH12 gb_2 NH2 HH21 gb_2 NH2 HH22 gb_2 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG CD ga_15 CG CD NE ga_13 CD NE HE ga_20 CD NE CZ ga_33 HE NE CZ ga_23 NE CZ NH1 ga_28 NE CZ NH2 ga_28 NH1 CZ NH2 ga_28 CZ NH1 HH11 ga_23 CZ NH1 HH12 ga_23 HH11 NH1 HH12 ga_24 CZ NH2 HH21 ga_23 CZ NH2 HH22 ga_23 HH21 NH2 HH22 ga_24 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 NE CD CZ HE gi_1 CZ NH1 NH2 NE gi_1 NH1 HH11 HH12 CZ gi_1 NH2 HH21 HH22 CZ gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG CD gd_34 CB CG CD NE gd_34 CG CD NE CZ gd_39 CD NE CZ NH1 gd_14 NE CZ NH1 HH11 gd_14 NE CZ NH2 HH21 gd_14 [ ARGN ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH2 0.00000 2 CD CH2 0.00000 2 NE NE -0.31000 3 HE H 0.31000 3 CZ C 0.26600 4 NH1 NE -0.67400 4 HH1 H 0.40800 4 NH2 NZ -0.88000 5 HH21 H 0.44000 5 HH22 H 0.44000 5 C C 0.450 6 O O -0.450 6 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG CD gb_27 CD NE gb_21 NE HE gb_2 NE CZ gb_11 CZ NH1 gb_11 CZ NH2 gb_11 NH1 HH1 gb_2 NH2 HH21 gb_2 NH2 HH22 gb_2 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG CD ga_15 CG CD NE ga_13 CD NE HE ga_20 CD NE CZ ga_33 HE NE CZ ga_23 NE CZ NH1 ga_28 NE CZ NH2 ga_28 NH1 CZ NH2 ga_28 CZ NH1 HH1 ga_23 CZ NH2 HH21 ga_23 CZ NH2 HH22 ga_23 HH21 NH2 HH22 ga_24 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 NE CD CZ HE gi_1 CZ NH1 NH2 NE gi_1 NH2 HH21 HH22 CZ gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG CD gd_34 CB CG CD NE gd_34 CG CD NE CZ gd_39 CD NE CZ NH1 gd_14 NE CZ NH1 HH1 gd_14 NE CZ NH2 HH21 gd_14 [ ASN ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.29000 2 OD1 O -0.45000 2 ND2 NT -0.72000 2 HD21 H 0.44000 2 HD22 H 0.44000 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG OD1 gb_5 CG ND2 gb_9 ND2 HD21 gb_2 ND2 HD22 gb_2 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG OD1 ga_30 CB CG ND2 ga_19 OD1 CG ND2 ga_33 CG ND2 HD21 ga_23 CG ND2 HD22 ga_23 HD21 ND2 HD22 ga_24 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CG OD1 ND2 CB gi_1 ND2 HD21 HD22 CG gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG ND2 gd_40 CB CG ND2 HD21 gd_14 [ ASN1 ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.29000 2 OD1 O -0.45000 2 ND2 NL -0.72000 2 HD21 H 0.44000 2 HD22 H 0.44000 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG OD1 gb_5 CG ND2 gb_9 ND2 HD21 gb_2 ND2 HD22 gb_2 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG OD1 ga_30 CB CG ND2 ga_19 OD1 CG ND2 ga_33 CG ND2 HD21 ga_23 CG ND2 HD22 ga_23 HD21 ND2 HD22 ga_24 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CG OD1 ND2 CB gi_1 ND2 HD21 HD22 CG gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG ND2 gd_40 CB CG ND2 HD21 gd_14 [ ASP ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.27000 2 OD1 OM -0.63500 2 OD2 OM -0.63500 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG OD1 gb_6 CG OD2 gb_6 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG OD1 ga_22 CB CG OD2 ga_22 OD1 CG OD2 ga_38 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CG OD1 OD2 CB gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG OD1 gd_40 [ ASPH ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.33000 2 OD1 O -0.45000 2 OD2 OA -0.28800 2 HD2 H 0.40800 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG OD1 gb_5 CG OD2 gb_13 OD2 HD2 gb_1 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG OD1 ga_30 CB CG OD2 ga_19 OD1 CG OD2 ga_33 CG OD2 HD2 ga_12 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CG OD1 OD2 CB gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG OD2 gd_40 CB CG OD2 HD2 gd_12 [ CYS ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 -0.10000 2 SG S -0.40000 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB SG gb_32 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB SG ga_16 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB SG gd_34 N CA C +N gd_40 [ CYSH ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.15000 2 SG S -0.37000 2 HG H 0.22000 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB SG gb_32 SG HG gb_8 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB SG ga_16 CB SG HG ga_3 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB SG gd_34 N CA C +N gd_40 CA CB SG HG gd_26 [ CYS1 ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 SG S 0.00000 1 C C 0.450 2 O O -0.450 2 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB SG gb_32 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB SG ga_16 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB SG gd_34 N CA C +N gd_40 [ CYS2 ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 SG S 0.00000 1 C C 0.450 2 O O -0.450 2 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB SG gb_32 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB SG ga_16 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB SG gd_34 N CA C +N gd_40 [ GLN ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH2 0.00000 1 CD C 0.29000 2 OE1 O -0.45000 2 NE2 NT -0.72000 2 HE21 H 0.44000 2 HE22 H 0.44000 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG CD gb_27 CD OE1 gb_5 CD NE2 gb_9 NE2 HE21 gb_2 NE2 HE22 gb_2 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG CD ga_15 CG CD OE1 ga_30 CG CD NE2 ga_19 OE1 CD NE2 ga_33 CD NE2 HE21 ga_23 CD NE2 HE22 ga_23 HE21 NE2 HE22 ga_24 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CD OE1 NE2 CG gi_1 NE2 HE21 HE22 CD gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG CD gd_34 CB CG CD NE2 gd_40 CG CD NE2 HE21 gd_14 [ GLU ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH2 0.00000 1 CD C 0.27000 2 OE1 OM -0.63500 2 OE2 OM -0.63500 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG CD gb_27 CD OE1 gb_6 CD OE2 gb_6 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG CD ga_15 CG CD OE1 ga_22 CG CD OE2 ga_22 OE1 CD OE2 ga_38 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CD OE1 OE2 CG gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG CD gd_34 CB CG CD OE2 gd_40 [ GLUH ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH2 0.00000 1 CD C 0.33000 2 OE1 O -0.45000 2 OE2 OA -0.28800 2 HE2 H 0.40800 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG CD gb_27 CD OE1 gb_5 CD OE2 gb_13 OE2 HE2 gb_1 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG CD ga_15 CG CD OE1 ga_30 CG CD OE2 ga_19 OE1 CD OE2 ga_33 CD OE2 HE2 ga_12 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CD OE1 OE2 CG gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG CD gd_34 CB CG CD OE2 gd_40 CG CD OE2 HE2 gd_12 [ GLY ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH2 0.00000 1 C C 0.450 2 O O -0.450 2 [ bonds ] N H gb_2 N CA gb_21 CA C gb_27 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA C ga_13 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA C +N gd_40 [ HISA ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.00000 2 ND1 NR -0.05000 2 HD1 H 0.31000 2 CD2 C 0.00000 2 HD2 HC 0.14000 2 CE1 C 0.00000 2 HE1 HC 0.14000 2 NE2 NR -0.54000 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG ND1 gb_10 CG CD2 gb_10 ND1 HD1 gb_2 ND1 CE1 gb_10 CD2 HD2 gb_3 CD2 NE2 gb_10 CE1 HE1 gb_3 CE1 NE2 gb_10 C O gb_5 C +N gb_10 [ exclusions ] ; ai aj CB HD1 CB HD2 CB CE1 CB NE2 CG HE1 ND1 HD2 HD1 CD2 HD1 HE1 HD1 NE2 CD2 HE1 HD2 CE1 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG ND1 ga_37 CB CG CD2 ga_37 ND1 CG CD2 ga_7 CG ND1 HD1 ga_36 CG ND1 CE1 ga_7 HD1 ND1 CE1 ga_36 CG CD2 HD2 ga_36 CG CD2 NE2 ga_7 HD2 CD2 NE2 ga_36 ND1 CE1 HE1 ga_36 ND1 CE1 NE2 ga_7 HE1 CE1 NE2 ga_36 CD2 NE2 CE1 ga_7 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CG ND1 CD2 CB gi_1 CG ND1 CE1 NE2 gi_1 CG CD2 NE2 CE1 gi_1 ND1 CG CD2 NE2 gi_1 ND1 CG CE1 HD1 gi_1 ND1 CE1 NE2 CD2 gi_1 CD2 CG ND1 CE1 gi_1 CD2 CG NE2 HD2 gi_1 CE1 ND1 NE2 HE1 gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG ND1 gd_40 [ HISB ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.00000 2 ND1 NR -0.54000 2 CD2 C 0.00000 2 HD2 HC 0.14000 2 CE1 C 0.00000 2 HE1 HC 0.14000 2 NE2 NR -0.05000 2 HE2 H 0.31000 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG ND1 gb_10 CG CD2 gb_10 ND1 CE1 gb_10 CD2 HD2 gb_3 CD2 NE2 gb_10 CE1 HE1 gb_3 CE1 NE2 gb_10 NE2 HE2 gb_2 C O gb_5 C +N gb_10 [ exclusions ] ; ai aj CB HD2 CB CE1 CB NE2 CG HE1 CG HE2 ND1 HD2 ND1 HE2 CD2 HE1 HD2 CE1 HD2 HE2 HE1 HE2 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG ND1 ga_37 CB CG CD2 ga_37 ND1 CG CD2 ga_7 CG ND1 CE1 ga_7 CG CD2 HD2 ga_36 CG CD2 NE2 ga_7 HD2 CD2 NE2 ga_36 ND1 CE1 HE1 ga_36 ND1 CE1 NE2 ga_7 HE1 CE1 NE2 ga_36 CD2 NE2 CE1 ga_7 CD2 NE2 HE2 ga_36 CE1 NE2 HE2 ga_36 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CG ND1 CD2 CB gi_1 CG ND1 CE1 NE2 gi_1 CG CD2 NE2 CE1 gi_1 ND1 CG CD2 NE2 gi_1 ND1 CE1 NE2 CD2 gi_1 CD2 CG ND1 CE1 gi_1 CD2 CG NE2 HD2 gi_1 CE1 ND1 NE2 HE1 gi_1 NE2 CD2 CE1 HE2 gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG ND1 gd_40 [ HISH ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C -0.05000 2 ND1 NR 0.38000 2 HD1 H 0.30000 2 CD2 C -0.10000 2 HD2 HC 0.10000 2 CE1 C -0.34000 2 HE1 HC 0.10000 2 NE2 NR 0.31000 2 HE2 H 0.30000 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG ND1 gb_10 CG CD2 gb_10 ND1 HD1 gb_2 ND1 CE1 gb_10 CD2 HD2 gb_3 CD2 NE2 gb_10 CE1 HE1 gb_3 CE1 NE2 gb_10 NE2 HE2 gb_2 C O gb_5 C +N gb_10 [ exclusions ] ; ai aj CB HD1 CB HD2 CB CE1 CB NE2 CG HE1 CG HE2 ND1 HD2 ND1 HE2 HD1 CD2 HD1 HE1 HD1 NE2 CD2 HE1 HD2 CE1 HD2 HE2 HE1 HE2 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG ND1 ga_37 CB CG CD2 ga_37 ND1 CG CD2 ga_7 CG ND1 HD1 ga_36 CG ND1 CE1 ga_7 HD1 ND1 CE1 ga_36 CG CD2 HD2 ga_36 CG CD2 NE2 ga_7 HD2 CD2 NE2 ga_36 ND1 CE1 HE1 ga_36 ND1 CE1 NE2 ga_7 HE1 CE1 NE2 ga_36 CD2 NE2 CE1 ga_7 CD2 NE2 HE2 ga_36 CE1 NE2 HE2 ga_36 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CG ND1 CD2 CB gi_1 CG ND1 CE1 NE2 gi_1 CG CD2 NE2 CE1 gi_1 ND1 CG CD2 NE2 gi_1 ND1 CG CE1 HD1 gi_1 ND1 CE1 NE2 CD2 gi_1 CD2 CG ND1 CE1 gi_1 CD2 CG NE2 HD2 gi_1 CE1 ND1 NE2 HE1 gi_1 NE2 CD2 CE1 HE2 gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG ND1 gd_40 [ HIS1 ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.00000 2 ND1 NR -0.05000 2 HD1 H 0.31000 2 CD2 C 0.00000 2 HD2 HC 0.14000 2 CE1 C 0.00000 2 HE1 HC 0.14000 2 NE2 NR -0.54000 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG ND1 gb_10 CG CD2 gb_10 ND1 HD1 gb_2 ND1 CE1 gb_10 CD2 HD2 gb_3 CD2 NE2 gb_10 CE1 HE1 gb_3 CE1 NE2 gb_10 C O gb_5 C +N gb_10 [ exclusions ] ; ai aj CB HD1 CB HD2 CB CE1 CB NE2 CG HE1 ND1 HD2 HD1 CD2 HD1 HE1 HD1 NE2 CD2 HE1 HD2 CE1 [ angles ] ; ai aj ak gromos type -CA -C NE2 ga_2 -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG ND1 ga_37 CB CG CD2 ga_37 ND1 CG CD2 ga_7 CG ND1 HD1 ga_36 CG ND1 CE1 ga_7 HD1 ND1 CE1 ga_36 CG CD2 HD2 ga_36 CG CD2 NE2 ga_7 HD2 CD2 NE2 ga_36 ND1 CE1 HE1 ga_36 ND1 CE1 NE2 ga_7 HE1 CE1 NE2 ga_36 -C NE2 CD2 ga_34 -C NE2 CE1 ga_34 CD2 NE2 CE1 ga_7 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CG ND1 CD2 CB gi_1 CG ND1 CE1 NE2 gi_1 CG CD2 NE2 CE1 gi_1 ND1 CG CD2 NE2 gi_1 ND1 CG CE1 HD1 gi_1 ND1 CE1 NE2 CD2 gi_1 CD2 CG ND1 CE1 gi_1 CD2 CG NE2 HD2 gi_1 CE1 ND1 NE2 HE1 gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -CA -C NE2 CD2 gd_38 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG ND1 gd_40 [ HIS2 ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.00000 2 ND1 NR -0.05000 2 HD1 H 0.31000 2 CD2 C 0.00000 2 HD2 HC 0.14000 2 CE1 C 0.00000 2 HE1 HC 0.14000 2 NE2 NR -0.54000 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG ND1 gb_10 CG CD2 gb_10 ND1 HD1 gb_2 ND1 CE1 gb_10 CD2 HD2 gb_3 CD2 NE2 gb_10 CE1 HE1 gb_3 CE1 NE2 gb_10 C O gb_5 C +N gb_10 [ exclusions ] ; ai aj CB HD1 CB HD2 CB CE1 CB NE2 CG HE1 ND1 HD2 HD1 CD2 HD1 HE1 HD1 NE2 CD2 HE1 HD2 CE1 [ angles ] ; ai aj ak gromos type -CA -C NE2 ga_2 -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG ND1 ga_37 CB CG CD2 ga_37 ND1 CG CD2 ga_7 CG ND1 HD1 ga_36 CG ND1 CE1 ga_7 HD1 ND1 CE1 ga_36 CG CD2 HD2 ga_36 CG CD2 NE2 ga_7 HD2 CD2 NE2 ga_36 ND1 CE1 HE1 ga_36 ND1 CE1 NE2 ga_7 HE1 CE1 NE2 ga_36 -C NE2 CD2 ga_34 -C NE2 CE1 ga_34 CD2 NE2 CE1 ga_7 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CG ND1 CD2 CB gi_1 CG ND1 CE1 NE2 gi_1 CG CD2 NE2 CE1 gi_1 ND1 CG CD2 NE2 gi_1 ND1 CG CE1 HD1 gi_1 ND1 CE1 NE2 CD2 gi_1 CD2 CG ND1 CE1 gi_1 CD2 CG NE2 HD2 gi_1 CE1 ND1 NE2 HE1 gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -CA -C NE2 CD2 gd_38 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG ND1 gd_40 [ HYP ] [ atoms ] N N 0.00000 0 CA CH1 0.00000 1 CB CH2R 0.00000 1 CG CH1 0.26600 2 OD1 OA -0.67400 2 HD1 H 0.40800 2 CD2 CH2R 0.00000 3 C C 0.450 4 O O -0.450 4 [ bonds ] N CA gb_21 N CD2 gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG OD1 gb_18 CG CD2 gb_27 OD1 HD1 gb_1 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N CA ga_31 -C N CD2 ga_31 CA N CD2 ga_21 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_13 CB CG OD1 ga_13 CB CG CD2 ga_13 OD1 CG CD2 ga_13 CG OD1 HD1 ga_12 N CD2 CG ga_13 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA CD2 gi_1 CA N C CB gi_2 OD1 CB CD2 CG gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 CA N CD2 CG gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG CD2 gd_34 CB CG OD1 HD1 gd_23 CB CG CD2 N gd_34 [ ILE ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH1 0.00000 2 CG1 CH2 0.00000 2 CG2 CH3 0.00000 2 CD CH3 0.00000 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG1 gb_27 CB CG2 gb_27 CG1 CD gb_27 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG1 ga_15 CA CB CG2 ga_15 CG1 CB CG2 ga_15 CB CG1 CD ga_15 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CB CG1 CG2 CA gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG1 gd_34 N CA C +N gd_40 CA CB CG1 CD gd_34 [ LEU ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH1 0.00000 2 CD1 CH3 0.00000 2 CD2 CH3 0.00000 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG CD1 gb_27 CG CD2 gb_27 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG CD1 ga_15 CB CG CD2 ga_15 CD1 CG CD2 ga_15 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CB CD1 CD2 CG gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG CD1 gd_34 [ LYS ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH2 0.00000 2 CD CH2 0.00000 2 CE CH2 -0.24000 3 NZ NT -0.64000 3 HZ1 H 0.44000 3 HZ2 H 0.44000 3 C C 0.450 4 O O -0.450 4 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG CD gb_27 CD CE gb_27 CE NZ gb_21 NZ HZ1 gb_2 NZ HZ2 gb_2 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG CD ga_15 CG CD CE ga_15 CD CE NZ ga_15 CE NZ HZ1 ga_11 CE NZ HZ2 ga_11 HZ1 NZ HZ2 ga_10 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG CD gd_34 CB CG CD CE gd_34 CG CD CE NZ gd_34 CD CE NZ HZ1 gd_29 [ LYSH ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH2 0.00000 2 CD CH2 0.00000 2 CE CH2 0.12700 3 NZ NL 0.12900 3 HZ1 H 0.24800 3 HZ2 H 0.24800 3 HZ3 H 0.24800 3 C C 0.450 4 O O -0.450 4 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG CD gb_27 CD CE gb_27 CE NZ gb_21 NZ HZ1 gb_2 NZ HZ2 gb_2 NZ HZ3 gb_2 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG CD ga_15 CG CD CE ga_15 CD CE NZ ga_15 CE NZ HZ1 ga_11 CE NZ HZ2 ga_11 CE NZ HZ3 ga_11 HZ1 NZ HZ2 ga_10 HZ1 NZ HZ3 ga_10 HZ2 NZ HZ3 ga_10 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG CD gd_34 CB CG CD CE gd_34 CG CD CE NZ gd_34 CD CE NZ HZ1 gd_29 [ MET ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH2 0.24100 2 SD S -0.48200 2 CE CH3 0.24100 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG SD gb_32 SD CE gb_31 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG SD ga_16 CG SD CE ga_4 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG SD gd_34 CB CG SD CE gd_26 [ PHE ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.00000 1 CD1 C -0.14000 2 HD1 HC 0.14000 2 CD2 C -0.14000 3 HD2 HC 0.14000 3 CE1 C -0.14000 4 HE1 HC 0.14000 4 CE2 C -0.14000 5 HE2 HC 0.14000 5 CZ C -0.14000 6 HZ HC 0.14000 6 C C 0.450 7 O O -0.450 7 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG CD1 gb_16 CG CD2 gb_16 CD1 HD1 gb_3 CD1 CE1 gb_16 CD2 HD2 gb_3 CD2 CE2 gb_16 CE1 HE1 gb_3 CE1 CZ gb_16 CE2 HE2 gb_3 CE2 CZ gb_16 CZ HZ gb_3 C O gb_5 C +N gb_10 [ exclusions ] ; ai aj CB HD1 CB HD2 CB CE1 CB CE2 CG HE1 CG HE2 CG CZ CD1 HD2 CD1 CE2 CD1 HZ HD1 CD2 HD1 HE1 HD1 CZ CD2 CE1 CD2 HZ HD2 HE2 HD2 CZ CE1 HE2 HE1 CE2 HE1 HZ HE2 HZ [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG CD1 ga_27 CB CG CD2 ga_27 CD1 CG CD2 ga_27 CG CD1 HD1 ga_25 CG CD1 CE1 ga_27 HD1 CD1 CE1 ga_25 CG CD2 HD2 ga_25 CG CD2 CE2 ga_27 HD2 CD2 CE2 ga_25 CD1 CE1 HE1 ga_25 CD1 CE1 CZ ga_27 HE1 CE1 CZ ga_25 CD2 CE2 HE2 ga_25 CD2 CE2 CZ ga_27 HE2 CE2 CZ ga_25 CE1 CZ CE2 ga_27 CE1 CZ HZ ga_25 CE2 CZ HZ ga_25 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CG CD1 CD2 CB gi_1 CG CD1 CE1 CZ gi_1 CG CD2 CE2 CZ gi_1 CD1 CG CD2 CE2 gi_1 CD1 CG CE1 HD1 gi_1 CD1 CE1 CZ CE2 gi_1 CD2 CG CD1 CE1 gi_1 CD2 CG CE2 HD2 gi_1 CD2 CE2 CZ CE1 gi_1 HE1 CD1 CZ CE1 gi_1 HE2 CD2 CZ CE2 gi_1 CZ CE1 CE2 HZ gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG CD1 gd_40 [ PRO ] [ atoms ] N N 0.00000 0 CA CH1 0.00000 1 CB CH2R 0.00000 1 CG CH2R 0.00000 2 CD CH2R 0.00000 2 C C 0.450 3 O O -0.450 3 [ bonds ] N CA gb_21 N CD gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG CD gb_27 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N CA ga_31 -C N CD ga_31 CA N CD ga_21 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_13 CB CG CD ga_13 N CD CG ga_13 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA CD gi_1 CA N C CB gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 CA N CD CG gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG CD gd_34 CB CG CD N gd_34 [ SER ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.26600 2 OG OA -0.67400 2 HG H 0.40800 2 C C 0.450 3 O O -0.450 3 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB OG gb_18 OG HG gb_1 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB OG ga_13 CB OG HG ga_12 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB OG gd_34 N CA C +N gd_40 CA CB OG HG gd_23 [ THR ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH1 0.26600 2 OG1 OA -0.67400 2 HG1 H 0.40800 2 CG2 CH3 0.00000 3 C C 0.450 4 O O -0.450 4 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB OG1 gb_18 CB CG2 gb_27 OG1 HG1 gb_1 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB OG1 ga_13 CA CB CG2 ga_15 OG1 CB CG2 ga_15 CB OG1 HG1 ga_12 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CB OG1 CG2 CA gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB OG1 gd_34 N CA C +N gd_40 CA CB OG1 HG1 gd_23 [ TRP ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C -0.21000 2 CD1 C -0.14000 2 HD1 HC 0.14000 2 CD2 C 0.00000 2 NE1 NR -0.10000 2 HE1 H 0.31000 2 CE2 C 0.00000 2 CE3 C -0.14000 3 HE3 HC 0.14000 3 CZ2 C -0.14000 4 HZ2 HC 0.14000 4 CZ3 C -0.14000 5 HZ3 HC 0.14000 5 CH2 C -0.14000 6 HH2 HC 0.14000 6 C C 0.450 7 O O -0.450 7 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG CD1 gb_10 CG CD2 gb_16 CD1 HD1 gb_3 CD1 NE1 gb_10 CD2 CE2 gb_16 CD2 CE3 gb_16 NE1 HE1 gb_2 NE1 CE2 gb_10 CE2 CZ2 gb_16 CE3 HE3 gb_3 CE3 CZ3 gb_16 CZ2 HZ2 gb_3 CZ2 CH2 gb_16 CZ3 HZ3 gb_3 CZ3 CH2 gb_16 CH2 HH2 gb_3 C O gb_5 C +N gb_10 [ exclusions ] ; ai aj CB HD1 CB NE1 CB CE2 CB CE3 CG HE1 CG HE3 CG CZ2 CG CZ3 CD1 CE3 CD1 CZ2 HD1 CD2 HD1 HE1 HD1 CE2 CD2 HE1 CD2 HZ2 CD2 HZ3 CD2 CH2 NE1 CE3 NE1 HZ2 NE1 CH2 HE1 CZ2 CE2 HE3 CE2 CZ3 CE2 HH2 CE3 CZ2 CE3 HH2 HE3 HZ3 HE3 CH2 CZ2 HZ3 HZ2 CZ3 HZ2 HH2 HZ3 HH2 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG CD1 ga_37 CB CG CD2 ga_37 CD1 CG CD2 ga_7 CG CD1 HD1 ga_36 CG CD1 NE1 ga_7 HD1 CD1 NE1 ga_36 CG CD2 CE2 ga_7 CG CD2 CE3 ga_39 CE2 CD2 CE3 ga_27 CD1 NE1 HE1 ga_36 CD1 NE1 CE2 ga_7 HE1 NE1 CE2 ga_36 CD2 CE2 NE1 ga_7 CD2 CE2 CZ2 ga_27 NE1 CE2 CZ2 ga_39 CD2 CE3 HE3 ga_25 CD2 CE3 CZ3 ga_27 HE3 CE3 CZ3 ga_25 CE2 CZ2 HZ2 ga_25 CE2 CZ2 CH2 ga_27 HZ2 CZ2 CH2 ga_25 CE3 CZ3 HZ3 ga_25 CE3 CZ3 CH2 ga_27 HZ3 CZ3 CH2 ga_25 CZ2 CH2 CZ3 ga_27 CZ2 CH2 HH2 ga_25 CZ3 CH2 HH2 ga_25 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CG CD1 CD2 CB gi_1 CG CD1 NE1 CE2 gi_1 CG CD2 CE2 NE1 gi_1 CD1 CG CD2 CE2 gi_1 CD1 CG NE1 HD1 gi_1 CD1 NE1 CE2 CD2 gi_1 CD2 CG CD1 NE1 gi_1 CD2 CE2 CE3 CG gi_1 CD2 CE2 CZ2 CH2 gi_1 CD2 CE3 CZ3 CH2 gi_1 NE1 CD1 CE2 HE1 gi_1 CE2 CD2 CE3 CZ3 gi_1 CE2 CD2 CZ2 NE1 gi_1 CE2 CZ2 CH2 CZ3 gi_1 CE3 CD2 CE2 CZ2 gi_1 CE3 CD2 CZ3 HE3 gi_1 CE3 CZ3 CH2 CZ2 gi_1 CZ2 CE2 CH2 HZ2 gi_1 CZ3 CE3 CH2 HZ3 gi_1 CH2 CZ2 CZ3 HH2 gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG CD2 gd_40 [ TYR ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.00000 1 CD1 C -0.14000 2 HD1 HC 0.14000 2 CD2 C -0.14000 3 HD2 HC 0.14000 3 CE1 C -0.14000 4 HE1 HC 0.14000 4 CE2 C -0.14000 5 HE2 HC 0.14000 5 CZ C 0.20300 6 OH OA -0.61100 6 HH H 0.40800 6 C C 0.450 7 O O -0.450 7 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG CD1 gb_16 CG CD2 gb_16 CD1 HD1 gb_3 CD1 CE1 gb_16 CD2 HD2 gb_3 CD2 CE2 gb_16 CE1 HE1 gb_3 CE1 CZ gb_16 CE2 HE2 gb_3 CE2 CZ gb_16 CZ OH gb_13 OH HH gb_1 C O gb_5 C +N gb_10 [ exclusions ] ; ai aj CB HD1 CB HD2 CB CE1 CB CE2 CG HE1 CG HE2 CG CZ CD1 HD2 CD1 CE2 CD1 OH HD1 CD2 HD1 HE1 HD1 CZ CD2 CE1 CD2 OH HD2 HE2 HD2 CZ CE1 HE2 HE1 CE2 HE1 OH HE2 OH [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG CD1 ga_27 CB CG CD2 ga_27 CD1 CG CD2 ga_27 CG CD1 HD1 ga_25 CG CD1 CE1 ga_27 HD1 CD1 CE1 ga_25 CG CD2 HD2 ga_25 CG CD2 CE2 ga_27 HD2 CD2 CE2 ga_25 CD1 CE1 HE1 ga_25 CD1 CE1 CZ ga_27 HE1 CE1 CZ ga_25 CD2 CE2 HE2 ga_25 CD2 CE2 CZ ga_27 HE2 CE2 CZ ga_25 CE1 CZ CE2 ga_27 CE1 CZ OH ga_27 CE2 CZ OH ga_27 CZ OH HH ga_12 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CG CD1 CD2 CB gi_1 CG CD1 CE1 CZ gi_1 CG CD2 CE2 CZ gi_1 CD1 CG CD2 CE2 gi_1 CD1 CG CE1 HD1 gi_1 CD1 CE1 CZ CE2 gi_1 CD2 CG CD1 CE1 gi_1 CD2 CG CE2 HD2 gi_1 CD2 CE2 CZ CE1 gi_1 HE1 CD1 CZ CE1 gi_1 HE2 CD2 CZ CE2 gi_1 CZ CE1 CE2 OH gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG CD1 gd_40 CE1 CZ OH HH gd_11 [ VAL ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH1 0.00000 1 CG1 CH3 0.00000 1 CG2 CH3 0.00000 1 C C 0.450 2 O O -0.450 2 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG1 gb_27 CB CG2 gb_27 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG1 ga_15 CA CB CG2 ga_15 CG1 CB CG2 ga_15 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 CA CG1 CG2 CB gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG1 gd_34 N CA C +N gd_40 [ DALA ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH3 0.00000 1 C C 0.450 2 O O -0.450 2 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CB N C CA gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA C +N gd_40 [ ABU ] [ atoms ] N N -0.31000 0 H H 0.31000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH3 0.00000 1 C C 0.450 2 O O -0.450 2 [ bonds ] N H gb_2 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N H ga_32 -C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 CA N C CB gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 [ MEBMT ] [ atoms ] N N 0.00000 0 CN CH3 0.00000 0 CA CH1 0.00000 1 CB CH1 0.26600 2 OG1 OA -0.67400 2 HG1 H 0.40800 2 CG2 CH1 0.00000 3 CD1 CH3 0.00000 3 CD2 CH2 0.00000 3 CE CR1 0.00000 4 CZ CR1 0.00000 4 CH CH3 0.00000 4 C C 0.450 5 O O -0.450 5 [ bonds ] N CN gb_21 N CA gb_21 CA CB gb_27 CA C gb_27 CB OG1 gb_18 CB CG2 gb_27 OG1 HG1 gb_1 CG2 CD1 gb_27 CG2 CD2 gb_27 CD2 CE gb_27 CE CZ gb_10 CZ CH gb_27 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N CN ga_22 -C N CA ga_31 CN N CA ga_30 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB OG1 ga_13 CA CB CG2 ga_15 OG1 CB CG2 ga_15 CB OG1 HG1 ga_12 CB CG2 CD1 ga_15 CB CG2 CD2 ga_15 CD1 CG2 CD2 ga_15 CG2 CD2 CE ga_15 CD2 CE CZ ga_27 CE CZ CH ga_27 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA CN gi_1 CA N C CB gi_2 CB OG1 CG2 CA gi_2 CG2 CD1 CD2 CB gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG2 gd_34 N CA C +N gd_40 CA CB OG1 HG1 gd_23 CA CB CG2 CD2 gd_34 CB CG2 CD2 CE gd_34 CG2 CD2 CE CZ gd_40 CD2 CE CZ CH gd_14 [ MELEU ] [ atoms ] N N 0.00000 0 CN CH3 0.00000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH1 0.00000 2 CD1 CH3 0.00000 2 CD2 CH3 0.00000 2 C C 0.450 3 O O -0.450 3 [ bonds ] N CN gb_21 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG gb_27 CG CD1 gb_27 CG CD2 gb_27 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N CN ga_22 -C N CA ga_31 CN N CA ga_30 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG ga_15 CB CG CD1 ga_15 CB CG CD2 ga_15 CD1 CG CD2 ga_15 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA CN gi_1 CA N C CB gi_2 CB CD1 CD2 CG gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG gd_34 N CA C +N gd_40 CA CB CG CD1 gd_34 [ MEVAL ] [ atoms ] N N 0.00000 0 CN CH3 0.00000 0 CA CH1 0.00000 1 CB CH1 0.00000 1 CG1 CH3 0.00000 1 CG2 CH3 0.00000 1 C C 0.450 2 O O -0.450 2 [ bonds ] N CN gb_21 N CA gb_21 CA CB gb_27 CA C gb_27 CB CG1 gb_27 CB CG2 gb_27 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N CN ga_22 -C N CA ga_31 CN N CA ga_30 N CA CB ga_13 N CA C ga_13 CB CA C ga_13 CA CB CG1 ga_15 CA CB CG2 ga_15 CG1 CB CG2 ga_15 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA CN gi_1 CA N C CB gi_2 CA CG1 CG2 CB gi_2 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA CB CG1 gd_34 N CA C +N gd_40 [ SAR ] [ atoms ] N N 0.00000 0 CN CH3 0.00000 0 CA CH2 0.00000 1 C C 0.450 2 O O -0.450 2 [ bonds ] N CN gb_21 N CA gb_21 CA C gb_27 C O gb_5 C +N gb_10 [ angles ] ; ai aj ak gromos type -C N CN ga_22 -C N CA ga_31 CN N CA ga_30 N CA C ga_13 CA C O ga_30 CA C +N ga_19 O C +N ga_33 [ impropers ] ; ai aj ak al gromos type N -C CA CN gi_1 C CA +N O gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_14 -C N CA C gd_39 N CA C +N gd_40 [ DADE ] [ atoms ] P P 0.99000 0 O1P OM -0.63500 0 O2P OM -0.63500 0 O5* OA -0.36000 0 C5* CH2 0.00000 1 C4* CH1 0.16000 2 O4* OA -0.36000 2 C1* CH1 0.20000 2 N9 NR -0.20000 3 C4 C 0.20000 3 N3 NR -0.54000 4 C2 C 0.44000 4 H2 HC 0.10000 4 N1 NR -0.54000 5 C6 C 0.54000 5 N6 NT -0.83000 6 H61 H 0.41500 6 H62 H 0.41500 6 C5 C 0.00000 7 N7 NR -0.54000 7 C8 C 0.44000 7 H8 HC 0.10000 7 C2* CH2R 0.00000 8 C3* CH1 0.000 8 O3* OA -0.360 9 [ bonds ] P O1P gb_24 P O2P gb_24 P O5* gb_28 O5* C5* gb_20 C5* C4* gb_26 C4* O4* gb_20 C4* C3* gb_26 O4* C1* gb_20 C1* N9 gb_22 C1* C2* gb_26 N9 C4 gb_10 N9 C8 gb_10 C4 N3 gb_12 C4 C5 gb_16 N3 C2 gb_7 C2 H2 gb_3 C2 N1 gb_7 N1 C6 gb_12 C6 N6 gb_9 C6 C5 gb_16 N6 H61 gb_2 N6 H62 gb_2 C5 N7 gb_10 N7 C8 gb_10 C8 H8 gb_3 C2* C3* gb_26 C3* O3* gb_20 O3* +P gb_28 [ exclusions ] ; ai aj C1* N3 C1* C5 C1* N7 C1* H8 N9 C2 N9 C6 C4 H2 C4 N1 C4 N6 C4 H8 N3 C6 N3 N7 N3 C8 C2 N6 C2 C5 H2 C6 N1 N7 C6 C8 N6 N7 H61 N7 H62 N7 C5 H8 [ angles ] ; ai aj ak gromos type -O3* P O1P ga_14 -O3* P O2P ga_14 -O3* P O5* ga_5 O1P P O2P ga_29 O1P P O5* ga_14 O2P P O5* ga_14 P O5* C5* ga_26 O5* C5* C4* ga_9 C5* C4* O4* ga_9 C5* C4* C3* ga_8 O4* C4* C3* ga_9 C4* O4* C1* ga_10 O4* C1* N9 ga_9 O4* C1* C2* ga_9 N9 C1* C2* ga_9 C1* N9 C4 ga_37 C1* N9 C8 ga_37 C4 N9 C8 ga_7 N9 C4 N3 ga_39 N9 C4 C5 ga_7 N3 C4 C5 ga_27 C4 N3 C2 ga_27 N3 C2 H2 ga_25 N3 C2 N1 ga_27 H2 C2 N1 ga_25 C2 N1 C6 ga_27 N1 C6 N6 ga_27 N1 C6 C5 ga_27 N6 C6 C5 ga_27 C6 N6 H61 ga_23 C6 N6 H62 ga_23 H61 N6 H62 ga_24 C4 C5 C6 ga_27 C4 C5 N7 ga_7 C6 C5 N7 ga_39 C5 N7 C8 ga_7 N9 C8 N7 ga_7 N9 C8 H8 ga_36 N7 C8 H8 ga_36 C1* C2* C3* ga_8 C4* C3* C2* ga_8 C4* C3* O3* ga_9 C2* C3* O3* ga_9 C3* O3* +P ga_26 [ impropers ] ; ai aj ak al gromos type C1* C4 C8 N9 gi_1 N9 C4 C5 N7 gi_1 C4 N9 N3 C5 gi_1 C4 N9 C8 N7 gi_1 C4 N3 C2 N1 gi_1 C4 C5 N7 C8 gi_1 N3 C4 C5 C6 gi_1 N3 C2 N1 C6 gi_1 C2 N3 H2 N1 gi_1 C2 N1 C6 C5 gi_1 N1 C6 C5 C4 gi_1 N6 N1 C5 C6 gi_1 N6 H61 H62 C6 gi_1 C5 C4 N3 C2 gi_1 C5 C6 N7 C4 gi_1 C5 N7 C8 N9 gi_1 C8 N9 C4 C5 gi_1 C8 N9 N7 H8 gi_1 C2* O4* N9 C1* gi_2 C3* C5* O4* C4* gi_2 C3* C2* O3* C4* gi_2 [ dihedrals ] ; ai aj ak al gromos type -C3* -O3* P O5* gd_20 -C3* -O3* P O5* gd_27 -O3* P O5* C5* gd_20 -O3* P O5* C5* gd_27 P O5* C5* C4* gd_7 O5* C5* C4* O4* gd_8 O5* C5* C4* O4* gd_25 O5* C5* C4* C3* gd_17 O5* C5* C4* C3* gd_34 C3* C4* O4* C1* gd_29 C5* C4* C3* C2* gd_34 C5* C4* C3* O3* gd_17 O4* C4* C3* C2* gd_17 O4* C4* C3* O3* gd_18 C4* O4* C1* C2* gd_29 O4* C1* N9 C4 gd_16 O4* C1* C2* C3* gd_17 O4* C1* C2* C3* gd_34 C5 C6 N6 H61 gd_14 C1* C2* C3* C4* gd_34 C1* C2* C3* O3* gd_17 C4* C3* O3* +P gd_29 [ DGUA ] [ atoms ] P P 0.99000 0 O1P OM -0.63500 0 O2P OM -0.63500 0 O5* OA -0.36000 0 C5* CH2 0.00000 1 C4* CH1 0.16000 2 O4* OA -0.36000 2 C1* CH1 0.20000 2 N9 NR -0.20000 3 C4 C 0.20000 3 N3 NR -0.54000 4 C2 C 0.54000 4 N2 NT -0.83000 5 H21 H 0.41500 5 H22 H 0.41500 5 N1 NR -0.31000 6 H1 H 0.31000 6 C6 C 0.45000 7 O6 O -0.45000 7 C5 C 0.00000 8 N7 NR -0.54000 8 C8 C 0.44000 8 H8 HC 0.10000 8 C2* CH2R 0.00000 9 C3* CH1 0.000 9 O3* OA -0.360 10 [ bonds ] P O1P gb_24 P O2P gb_24 P O5* gb_28 O5* C5* gb_20 C5* C4* gb_26 C4* O4* gb_20 C4* C3* gb_26 O4* C1* gb_20 C1* N9 gb_22 C1* C2* gb_26 N9 C4 gb_10 N9 C8 gb_10 C4 N3 gb_12 C4 C5 gb_16 N3 C2 gb_12 C2 N2 gb_9 C2 N1 gb_17 N2 H21 gb_2 N2 H22 gb_2 N1 H1 gb_2 N1 C6 gb_17 C6 O6 gb_5 C6 C5 gb_16 C5 N7 gb_10 N7 C8 gb_10 C8 H8 gb_3 C2* C3* gb_26 C3* O3* gb_20 O3* +P gb_28 [ exclusions ] ; ai aj C1* N3 C1* C5 C1* N7 C1* H8 N9 C2 N9 C6 C4 N2 C4 N1 C4 O6 C4 H8 N3 H1 N3 C6 N3 N7 N3 C8 C2 O6 C2 C5 N2 H1 N2 C6 N1 N7 H1 O6 H1 C5 C6 C8 O6 N7 C5 H8 [ angles ] ; ai aj ak gromos type -O3* P O1P ga_14 -O3* P O2P ga_14 -O3* P O5* ga_5 O1P P O2P ga_29 O1P P O5* ga_14 O2P P O5* ga_14 P O5* C5* ga_26 O5* C5* C4* ga_9 C5* C4* O4* ga_9 C5* C4* C3* ga_8 O4* C4* C3* ga_9 C4* O4* C1* ga_10 O4* C1* N9 ga_9 O4* C1* C2* ga_9 N9 C1* C2* ga_9 C1* N9 C4 ga_37 C1* N9 C8 ga_37 C4 N9 C8 ga_7 N9 C4 N3 ga_39 N9 C4 C5 ga_7 N3 C4 C5 ga_27 C4 N3 C2 ga_27 N3 C2 N2 ga_27 N3 C2 N1 ga_27 N2 C2 N1 ga_27 C2 N2 H21 ga_23 C2 N2 H22 ga_23 H21 N2 H22 ga_24 C2 N1 H1 ga_25 C2 N1 C6 ga_27 H1 N1 C6 ga_25 N1 C6 O6 ga_27 N1 C6 C5 ga_27 O6 C6 C5 ga_27 C4 C5 C6 ga_27 C4 C5 N7 ga_7 C6 C5 N7 ga_39 C5 N7 C8 ga_7 N9 C8 N7 ga_7 N9 C8 H8 ga_36 N7 C8 H8 ga_36 C1* C2* C3* ga_8 C4* C3* C2* ga_8 C4* C3* O3* ga_9 C2* C3* O3* ga_9 C3* O3* +P ga_26 [ impropers ] ; ai aj ak al gromos type C1* C4 C8 N9 gi_1 N9 C4 C5 N7 gi_1 C4 N9 N3 C5 gi_1 C4 N9 C8 N7 gi_1 C4 N3 C2 N1 gi_1 C4 C5 N7 C8 gi_1 N3 C4 C5 C6 gi_1 N3 C2 N1 C6 gi_1 C2 N1 C6 C5 gi_1 N2 N3 N1 C2 gi_1 N2 H21 H22 C2 gi_1 N1 C6 C5 C4 gi_1 H1 C2 C6 N1 gi_1 O6 N1 C5 C6 gi_1 C5 C4 N3 C2 gi_1 C5 C6 N7 C4 gi_1 C5 N7 C8 N9 gi_1 C8 N9 C4 C5 gi_1 C8 N9 N7 H8 gi_1 C2* O4* N9 C1* gi_2 C3* C5* O4* C4* gi_2 C3* C2* O3* C4* gi_2 [ dihedrals ] ; ai aj ak al gromos type -C3* -O3* P O5* gd_20 -C3* -O3* P O5* gd_27 -O3* P O5* C5* gd_20 -O3* P O5* C5* gd_27 P O5* C5* C4* gd_7 O5* C5* C4* O4* gd_8 O5* C5* C4* O4* gd_25 O5* C5* C4* C3* gd_17 O5* C5* C4* C3* gd_34 C3* C4* O4* C1* gd_29 C5* C4* C3* C2* gd_34 C5* C4* C3* O3* gd_17 O4* C4* C3* C2* gd_17 O4* C4* C3* O3* gd_18 C4* O4* C1* C2* gd_29 O4* C1* N9 C4 gd_16 O4* C1* C2* C3* gd_17 O4* C1* C2* C3* gd_34 N3 C2 N2 H21 gd_14 C1* C2* C3* C4* gd_34 C1* C2* C3* O3* gd_17 C4* C3* O3* +P gd_29 [ DCYT ] [ atoms ] P P 0.99000 0 O1P OM -0.63500 0 O2P OM -0.63500 0 O5* OA -0.36000 0 C5* CH2 0.00000 1 C4* CH1 0.16000 2 O4* OA -0.36000 2 C1* CH1 0.20000 2 N1 NR -0.20000 3 C6 C 0.10000 3 H6 HC 0.10000 3 C2 C 0.45000 4 O2 O -0.45000 4 N3 NR -0.54000 5 C4 C 0.54000 5 N4 NT -0.83000 6 H41 H 0.41500 6 H42 H 0.41500 6 C5 C -0.10000 7 H5 HC 0.10000 7 C2* CH2R 0.00000 8 C3* CH1 0.000 8 O3* OA -0.360 9 [ bonds ] P O1P gb_24 P O2P gb_24 P O5* gb_28 O5* C5* gb_20 C5* C4* gb_26 C4* O4* gb_20 C4* C3* gb_26 O4* C1* gb_20 C1* N1 gb_23 C1* C2* gb_26 N1 C6 gb_17 N1 C2 gb_17 C6 H6 gb_3 C6 C5 gb_16 C2 O2 gb_5 C2 N3 gb_12 N3 C4 gb_12 C4 N4 gb_9 C4 C5 gb_16 N4 H41 gb_2 N4 H42 gb_2 C5 H5 gb_3 C2* C3* gb_26 C3* O3* gb_20 O3* +P gb_28 [ exclusions ] ; ai aj C1* H6 C1* O2 C1* N3 C1* C5 N1 C4 N1 H5 C6 O2 C6 N3 C6 N4 H6 C2 H6 C4 H6 H5 C2 N4 C2 C5 O2 C4 N3 H5 N4 H5 [ angles ] ; ai aj ak gromos type -O3* P O1P ga_14 -O3* P O2P ga_14 -O3* P O5* ga_5 O1P P O2P ga_29 O1P P O5* ga_14 O2P P O5* ga_14 P O5* C5* ga_26 O5* C5* C4* ga_9 C5* C4* O4* ga_9 C5* C4* C3* ga_8 O4* C4* C3* ga_9 C4* O4* C1* ga_10 O4* C1* N1 ga_9 O4* C1* C2* ga_9 N1 C1* C2* ga_8 C1* N1 C6 ga_27 C1* N1 C2 ga_27 C6 N1 C2 ga_27 N1 C6 H6 ga_25 N1 C6 C5 ga_27 H6 C6 C5 ga_25 N1 C2 O2 ga_27 N1 C2 N3 ga_27 O2 C2 N3 ga_27 C2 N3 C4 ga_27 N3 C4 N4 ga_27 N3 C4 C5 ga_27 N4 C4 C5 ga_27 C4 N4 H41 ga_23 C4 N4 H42 ga_23 H41 N4 H42 ga_24 C6 C5 C4 ga_27 C6 C5 H5 ga_25 C4 C5 H5 ga_25 C1* C2* C3* ga_8 C4* C3* C2* ga_8 C4* C3* O3* ga_9 C2* C3* O3* ga_9 C3* O3* +P ga_26 [ impropers ] ; ai aj ak al gromos type N1 C6 C2 C1* gi_1 N1 C6 C5 C4 gi_1 N1 C2 N3 C4 gi_1 C6 N1 C2 N3 gi_1 C6 N1 C5 H6 gi_1 C2 N1 C6 C5 gi_1 C2 N3 C4 C5 gi_1 O2 N1 N3 C2 gi_1 N3 C4 C5 C6 gi_1 N4 N3 C5 C4 gi_1 N4 H41 H42 C4 gi_1 C5 C6 C4 H5 gi_1 C2* O4* N1 C1* gi_2 C3* C5* O4* C4* gi_2 C3* C2* O3* C4* gi_2 [ dihedrals ] ; ai aj ak al gromos type -C3* -O3* P O5* gd_20 -C3* -O3* P O5* gd_27 -O3* P O5* C5* gd_20 -O3* P O5* C5* gd_27 P O5* C5* C4* gd_7 O5* C5* C4* O4* gd_8 O5* C5* C4* O4* gd_25 O5* C5* C4* C3* gd_17 O5* C5* C4* C3* gd_34 C3* C4* O4* C1* gd_29 C5* C4* C3* C2* gd_34 C5* C4* C3* O3* gd_17 O4* C4* C3* C2* gd_17 O4* C4* C3* O3* gd_18 C4* O4* C1* C2* gd_29 O4* C1* N1 C2 gd_16 O4* C1* C2* C3* gd_17 O4* C1* C2* C3* gd_34 N3 C4 N4 H41 gd_14 C1* C2* C3* C4* gd_34 C1* C2* C3* O3* gd_17 C4* C3* O3* +P gd_29 [ DTHY ] [ atoms ] P P 0.99000 0 O1P OM -0.63500 0 O2P OM -0.63500 0 O5* OA -0.36000 0 C5* CH2 0.00000 1 C4* CH1 0.16000 2 O4* OA -0.36000 2 C1* CH1 0.20000 2 N1 NR -0.20000 3 C6 C 0.10000 3 H6 HC 0.10000 3 C2 C 0.45000 4 O2 O -0.45000 4 N3 NR -0.31000 5 H3 H 0.31000 5 C4 C 0.45000 6 O4 O -0.45000 6 C5 C 0.00000 7 C5M CH3 0.00000 7 C2* CH2R 0.00000 8 C3* CH1 0.000 8 O3* OA -0.360 9 [ bonds ] P O1P gb_24 P O2P gb_24 P O5* gb_28 O5* C5* gb_20 C5* C4* gb_26 C4* O4* gb_20 C4* C3* gb_26 O4* C1* gb_20 C1* N1 gb_23 C1* C2* gb_26 N1 C6 gb_17 N1 C2 gb_17 C6 H6 gb_3 C6 C5 gb_16 C2 O2 gb_5 C2 N3 gb_17 N3 H3 gb_2 N3 C4 gb_17 C4 O4 gb_5 C4 C5 gb_16 C5 C5M gb_27 C2* C3* gb_26 C3* O3* gb_20 O3* +P gb_28 [ exclusions ] ; ai aj C1* H6 C1* O2 C1* N3 C1* C5 N1 H3 N1 C4 N1 C5M C6 O2 C6 N3 C6 O4 H6 C2 H6 C4 H6 C5M C2 O4 C2 C5 O2 H3 O2 C4 N3 C5M H3 O4 H3 C5 O4 C5M [ angles ] ; ai aj ak gromos type -O3* P O1P ga_14 -O3* P O2P ga_14 -O3* P O5* ga_5 O1P P O2P ga_29 O1P P O5* ga_14 O2P P O5* ga_14 P O5* C5* ga_26 O5* C5* C4* ga_9 C5* C4* O4* ga_9 C5* C4* C3* ga_8 O4* C4* C3* ga_9 C4* O4* C1* ga_10 O4* C1* N1 ga_9 O4* C1* C2* ga_9 N1 C1* C2* ga_8 C1* N1 C6 ga_27 C1* N1 C2 ga_27 C6 N1 C2 ga_27 N1 C6 H6 ga_25 N1 C6 C5 ga_27 H6 C6 C5 ga_25 N1 C2 O2 ga_27 N1 C2 N3 ga_27 O2 C2 N3 ga_27 C2 N3 H3 ga_25 C2 N3 C4 ga_27 H3 N3 C4 ga_25 N3 C4 O4 ga_27 N3 C4 C5 ga_27 O4 C4 C5 ga_27 C6 C5 C4 ga_27 C6 C5 C5M ga_27 C4 C5 C5M ga_27 C1* C2* C3* ga_8 C4* C3* C2* ga_8 C4* C3* O3* ga_9 C2* C3* O3* ga_9 C3* O3* +P ga_26 [ impropers ] ; ai aj ak al gromos type N1 C6 C2 C1* gi_1 N1 C6 C5 C4 gi_1 N1 C2 N3 C4 gi_1 C6 N1 C2 N3 gi_1 C6 N1 C5 H6 gi_1 C2 N1 C6 C5 gi_1 C2 N3 C4 C5 gi_1 O2 N1 N3 C2 gi_1 N3 C4 C5 C6 gi_1 H3 C2 C4 N3 gi_1 O4 N3 C5 C4 gi_1 C5 C6 C4 C5M gi_1 C2* O4* N1 C1* gi_2 C3* C5* O4* C4* gi_2 C3* C2* O3* C4* gi_2 [ dihedrals ] ; ai aj ak al gromos type -C3* -O3* P O5* gd_20 -C3* -O3* P O5* gd_27 -O3* P O5* C5* gd_20 -O3* P O5* C5* gd_27 P O5* C5* C4* gd_7 O5* C5* C4* O4* gd_8 O5* C5* C4* O4* gd_25 O5* C5* C4* C3* gd_17 O5* C5* C4* C3* gd_34 C3* C4* O4* C1* gd_29 C5* C4* C3* C2* gd_34 C5* C4* C3* O3* gd_17 O4* C4* C3* C2* gd_17 O4* C4* C3* O3* gd_18 C4* O4* C1* C2* gd_29 O4* C1* N1 C2 gd_16 O4* C1* C2* C3* gd_17 O4* C1* C2* C3* gd_34 C1* C2* C3* C4* gd_34 C1* C2* C3* O3* gd_17 C4* C3* O3* +P gd_29 [ ADE ] [ atoms ] P P 0.99000 0 O1P OM -0.63500 0 O2P OM -0.63500 0 O5* OA -0.36000 0 C5* CH2 0.00000 1 C4* CH1 0.16000 2 O4* OA -0.36000 2 C1* CH1 0.20000 2 N9 NR -0.20000 3 C4 C 0.20000 3 N3 NR -0.54000 4 C2 C 0.44000 4 H2 HC 0.10000 4 N1 NR -0.54000 5 C6 C 0.54000 5 N6 NT -0.83000 6 H61 H 0.41500 6 H62 H 0.41500 6 C5 C 0.00000 7 N7 NR -0.54000 7 C8 C 0.44000 7 H8 HC 0.10000 7 C2* CH1 0.15000 8 O2* OA -0.54800 8 H2* H 0.39800 8 C3* CH1 0.000 9 O3* OA -0.360 10 [ bonds ] P O1P gb_24 P O2P gb_24 P O5* gb_28 O5* C5* gb_20 C5* C4* gb_26 C4* O4* gb_20 C4* C3* gb_26 O4* C1* gb_20 C1* N9 gb_22 C1* C2* gb_26 N9 C4 gb_10 N9 C8 gb_10 C4 N3 gb_12 C4 C5 gb_16 N3 C2 gb_7 C2 H2 gb_3 C2 N1 gb_7 N1 C6 gb_12 C6 N6 gb_9 C6 C5 gb_16 N6 H61 gb_2 N6 H62 gb_2 C5 N7 gb_10 N7 C8 gb_10 C8 H8 gb_3 C2* O2* gb_20 C2* C3* gb_26 O2* H2* gb_1 C3* O3* gb_20 O3* +P gb_28 [ exclusions ] ; ai aj C1* N3 C1* C5 C1* N7 C1* H8 N9 C2 N9 C6 C4 H2 C4 N1 C4 N6 C4 H8 N3 C6 N3 N7 N3 C8 C2 N6 C2 C5 H2 C6 N1 N7 C6 C8 N6 N7 H61 N7 H62 N7 C5 H8 [ angles ] ; ai aj ak gromos type -O3* P O1P ga_14 -O3* P O2P ga_14 -O3* P O5* ga_5 O1P P O2P ga_29 O1P P O5* ga_14 O2P P O5* ga_14 P O5* C5* ga_26 O5* C5* C4* ga_9 C5* C4* O4* ga_9 C5* C4* C3* ga_8 O4* C4* C3* ga_9 C4* O4* C1* ga_10 O4* C1* N9 ga_9 O4* C1* C2* ga_9 N9 C1* C2* ga_9 C1* N9 C4 ga_37 C1* N9 C8 ga_37 C4 N9 C8 ga_7 N9 C4 N3 ga_39 N9 C4 C5 ga_7 N3 C4 C5 ga_27 C4 N3 C2 ga_27 N3 C2 H2 ga_25 N3 C2 N1 ga_27 H2 C2 N1 ga_25 C2 N1 C6 ga_27 N1 C6 N6 ga_27 N1 C6 C5 ga_27 N6 C6 C5 ga_27 C6 N6 H61 ga_23 C6 N6 H62 ga_23 H61 N6 H62 ga_24 C4 C5 C6 ga_27 C4 C5 N7 ga_7 C6 C5 N7 ga_39 C5 N7 C8 ga_7 N9 C8 N7 ga_7 N9 C8 H8 ga_36 N7 C8 H8 ga_36 C1* C2* O2* ga_9 C1* C2* C3* ga_8 O2* C2* C3* ga_9 C2* O2* H2* ga_12 C4* C3* C2* ga_8 C4* C3* O3* ga_9 C2* C3* O3* ga_9 C3* O3* +P ga_26 [ impropers ] ; ai aj ak al gromos type C1* C4 C8 N9 gi_1 N9 C4 C5 N7 gi_1 C4 N9 N3 C5 gi_1 C4 N9 C8 N7 gi_1 C4 N3 C2 N1 gi_1 C4 C5 N7 C8 gi_1 N3 C4 C5 C6 gi_1 N3 C2 N1 C6 gi_1 C2 N3 H2 N1 gi_1 C2 N1 C6 C5 gi_1 N1 C6 C5 C4 gi_1 N6 N1 C5 C6 gi_1 N6 H61 H62 C6 gi_1 C5 C4 N3 C2 gi_1 C5 C6 N7 C4 gi_1 C5 N7 C8 N9 gi_1 C8 N9 C4 C5 gi_1 C8 N9 N7 H8 gi_1 C2* O4* N9 C1* gi_2 C2* O2* C3* C1* gi_2 C3* C5* O4* C4* gi_2 C3* C2* O3* C4* gi_2 [ dihedrals ] ; ai aj ak al gromos type -C3* -O3* P O5* gd_20 -C3* -O3* P O5* gd_27 -O3* P O5* C5* gd_20 -O3* P O5* C5* gd_27 P O5* C5* C4* gd_7 O5* C5* C4* O4* gd_8 O5* C5* C4* O4* gd_25 O5* C5* C4* C3* gd_17 O5* C5* C4* C3* gd_34 C3* C4* O4* C1* gd_29 C5* C4* C3* C2* gd_34 C5* C4* C3* O3* gd_17 O4* C4* C3* C2* gd_17 O4* C4* C3* O3* gd_18 C4* O4* C1* C2* gd_29 O4* C1* N9 C4 gd_16 O4* C1* C2* O2* gd_18 O4* C1* C2* C3* gd_17 O4* C1* C2* C3* gd_34 N9 C1* C2* O2* gd_17 C5 C6 N6 H61 gd_14 C1* C2* O2* H2* gd_23 C1* C2* C3* C4* gd_34 C1* C2* C3* O3* gd_17 O2* C2* C3* C4* gd_17 O2* C2* C3* O3* gd_18 C4* C3* O3* +P gd_29 [ GUA ] [ atoms ] P P 0.99000 0 O1P OM -0.63500 0 O2P OM -0.63500 0 O5* OA -0.36000 0 C5* CH2 0.00000 1 C4* CH1 0.16000 2 O4* OA -0.36000 2 C1* CH1 0.20000 2 N9 NR -0.20000 3 C4 C 0.20000 3 N3 NR -0.54000 4 C2 C 0.54000 4 N2 NT -0.83000 5 H21 H 0.41500 5 H22 H 0.41500 5 N1 NR -0.31000 6 H1 H 0.31000 6 C6 C 0.45000 7 O6 O -0.45000 7 C5 C 0.00000 8 N7 NR -0.54000 8 C8 C 0.44000 8 H8 HC 0.10000 8 C2* CH1 0.15000 9 O2* OA -0.54800 9 H2* H 0.39800 9 C3* CH1 0.000 10 O3* OA -0.360 11 [ bonds ] P O1P gb_24 P O2P gb_24 P O5* gb_28 O5* C5* gb_20 C5* C4* gb_26 C4* O4* gb_20 C4* C3* gb_26 O4* C1* gb_20 C1* N9 gb_22 C1* C2* gb_26 N9 C4 gb_10 N9 C8 gb_10 C4 N3 gb_12 C4 C5 gb_16 N3 C2 gb_12 C2 N2 gb_9 C2 N1 gb_17 N2 H21 gb_2 N2 H22 gb_2 N1 H1 gb_2 N1 C6 gb_17 C6 O6 gb_5 C6 C5 gb_16 C5 N7 gb_10 N7 C8 gb_10 C8 H8 gb_3 C2* O2* gb_20 C2* C3* gb_26 O2* H2* gb_1 C3* O3* gb_20 O3* +P gb_28 [ exclusions ] ; ai aj C1* N3 C1* C5 C1* N7 C1* H8 N9 C2 N9 C6 C4 N2 C4 N1 C4 O6 C4 H8 N3 H1 N3 C6 N3 N7 N3 C8 C2 O6 C2 C5 N2 H1 N2 C6 N1 N7 H1 O6 H1 C5 C6 C8 O6 N7 C5 H8 [ angles ] ; ai aj ak gromos type -O3* P O1P ga_14 -O3* P O2P ga_14 -O3* P O5* ga_5 O1P P O2P ga_29 O1P P O5* ga_14 O2P P O5* ga_14 P O5* C5* ga_26 O5* C5* C4* ga_9 C5* C4* O4* ga_9 C5* C4* C3* ga_8 O4* C4* C3* ga_9 C4* O4* C1* ga_10 O4* C1* N9 ga_9 O4* C1* C2* ga_9 N9 C1* C2* ga_9 C1* N9 C4 ga_37 C1* N9 C8 ga_37 C4 N9 C8 ga_7 N9 C4 N3 ga_39 N9 C4 C5 ga_7 N3 C4 C5 ga_27 C4 N3 C2 ga_27 N3 C2 N2 ga_27 N3 C2 N1 ga_27 N2 C2 N1 ga_27 C2 N2 H21 ga_23 C2 N2 H22 ga_23 H21 N2 H22 ga_24 C2 N1 H1 ga_25 C2 N1 C6 ga_27 H1 N1 C6 ga_25 N1 C6 O6 ga_27 N1 C6 C5 ga_27 O6 C6 C5 ga_27 C4 C5 C6 ga_27 C4 C5 N7 ga_7 C6 C5 N7 ga_39 C5 N7 C8 ga_7 N9 C8 N7 ga_7 N9 C8 H8 ga_36 N7 C8 H8 ga_36 C1* C2* O2* ga_9 C1* C2* C3* ga_8 O2* C2* C3* ga_9 C2* O2* H2* ga_12 C4* C3* C2* ga_8 C4* C3* O3* ga_9 C2* C3* O3* ga_9 C3* O3* +P ga_26 [ impropers ] ; ai aj ak al gromos type C1* C4 C8 N9 gi_1 N9 C4 C5 N7 gi_1 C4 N9 N3 C5 gi_1 C4 N9 C8 N7 gi_1 C4 N3 C2 N1 gi_1 C4 C5 N7 C8 gi_1 N3 C4 C5 C6 gi_1 N3 C2 N1 C6 gi_1 C2 N1 C6 C5 gi_1 N2 N3 N1 C2 gi_1 N2 H21 H22 C2 gi_1 N1 C6 C5 C4 gi_1 H1 C2 C6 N1 gi_1 O6 N1 C5 C6 gi_1 C5 C4 N3 C2 gi_1 C5 C6 N7 C4 gi_1 C5 N7 C8 N9 gi_1 C8 N9 C4 C5 gi_1 C8 N9 N7 H8 gi_1 C2* O4* N9 C1* gi_2 C2* O2* C3* C1* gi_2 C3* C5* O4* C4* gi_2 C3* C2* O3* C4* gi_2 [ dihedrals ] ; ai aj ak al gromos type -C3* -O3* P O5* gd_20 -C3* -O3* P O5* gd_27 -O3* P O5* C5* gd_20 -O3* P O5* C5* gd_27 P O5* C5* C4* gd_7 O5* C5* C4* O4* gd_8 O5* C5* C4* O4* gd_25 O5* C5* C4* C3* gd_17 O5* C5* C4* C3* gd_34 C3* C4* O4* C1* gd_29 C5* C4* C3* C2* gd_34 C5* C4* C3* O3* gd_17 O4* C4* C3* C2* gd_17 O4* C4* C3* O3* gd_18 C4* O4* C1* C2* gd_29 O4* C1* N9 C4 gd_16 O4* C1* C2* O2* gd_18 O4* C1* C2* C3* gd_17 O4* C1* C2* C3* gd_34 N9 C1* C2* O2* gd_17 N3 C2 N2 H21 gd_14 C1* C2* O2* H2* gd_23 C1* C2* C3* C4* gd_34 C1* C2* C3* O3* gd_17 O2* C2* C3* C4* gd_17 O2* C2* C3* O3* gd_18 C4* C3* O3* +P gd_29 [ CYT ] [ atoms ] P P 0.99000 0 O1P OM -0.63500 0 O2P OM -0.63500 0 O5* OA -0.36000 0 C5* CH2 0.00000 1 C4* CH1 0.16000 2 O4* OA -0.36000 2 C1* CH1 0.20000 2 N1 NR -0.20000 3 C6 C 0.10000 3 H6 HC 0.10000 3 C2 C 0.45000 4 O2 O -0.45000 4 N3 NR -0.54000 5 C4 C 0.54000 5 N4 NT -0.83000 6 H41 H 0.41500 6 H42 H 0.41500 6 C5 C -0.10000 7 H5 HC 0.10000 7 C2* CH1 0.15000 8 O2* OA -0.54800 8 H2* H 0.39800 8 C3* CH1 0.000 9 O3* OA -0.360 10 [ bonds ] P O1P gb_24 P O2P gb_24 P O5* gb_28 O5* C5* gb_20 C5* C4* gb_26 C4* O4* gb_20 C4* C3* gb_26 O4* C1* gb_20 C1* N1 gb_23 C1* C2* gb_26 N1 C6 gb_17 N1 C2 gb_17 C6 H6 gb_3 C6 C5 gb_16 C2 O2 gb_5 C2 N3 gb_12 N3 C4 gb_12 C4 N4 gb_9 C4 C5 gb_16 N4 H41 gb_2 N4 H42 gb_2 C5 H5 gb_3 C2* O2* gb_20 C2* C3* gb_26 O2* H2* gb_1 C3* O3* gb_20 O3* +P gb_28 [ exclusions ] ; ai aj C1* H6 C1* O2 C1* N3 C1* C5 N1 C4 N1 H5 C6 O2 C6 N3 C6 N4 H6 C2 H6 C4 H6 H5 C2 N4 C2 C5 O2 C4 N3 H5 N4 H5 [ angles ] ; ai aj ak gromos type -O3* P O1P ga_14 -O3* P O2P ga_14 -O3* P O5* ga_5 O1P P O2P ga_29 O1P P O5* ga_14 O2P P O5* ga_14 P O5* C5* ga_26 O5* C5* C4* ga_9 C5* C4* O4* ga_9 C5* C4* C3* ga_8 O4* C4* C3* ga_9 C4* O4* C1* ga_10 O4* C1* N1 ga_9 O4* C1* C2* ga_9 N1 C1* C2* ga_8 C1* N1 C6 ga_27 C1* N1 C2 ga_27 C6 N1 C2 ga_27 N1 C6 H6 ga_25 N1 C6 C5 ga_27 H6 C6 C5 ga_25 N1 C2 O2 ga_27 N1 C2 N3 ga_27 O2 C2 N3 ga_27 C2 N3 C4 ga_27 N3 C4 N4 ga_27 N3 C4 C5 ga_27 N4 C4 C5 ga_27 C4 N4 H41 ga_23 C4 N4 H42 ga_23 H41 N4 H42 ga_24 C6 C5 C4 ga_27 C6 C5 H5 ga_25 C4 C5 H5 ga_25 C1* C2* O2* ga_9 C1* C2* C3* ga_8 O2* C2* C3* ga_9 C2* O2* H2* ga_12 C4* C3* C2* ga_8 C4* C3* O3* ga_9 C2* C3* O3* ga_9 C3* O3* +P ga_26 [ impropers ] ; ai aj ak al gromos type N1 C6 C2 C1* gi_1 N1 C6 C5 C4 gi_1 N1 C2 N3 C4 gi_1 C6 N1 C2 N3 gi_1 C6 N1 C5 H6 gi_1 C2 N1 C6 C5 gi_1 C2 N3 C4 C5 gi_1 O2 N1 N3 C2 gi_1 N3 C4 C5 C6 gi_1 N4 N3 C5 C4 gi_1 N4 H41 H42 C4 gi_1 C5 C6 C4 H5 gi_1 C2* O4* N1 C1* gi_2 C2* O2* C3* C1* gi_2 C3* C5* O4* C4* gi_2 C3* C2* O3* C4* gi_2 [ dihedrals ] ; ai aj ak al gromos type -C3* -O3* P O5* gd_20 -C3* -O3* P O5* gd_27 -O3* P O5* C5* gd_20 -O3* P O5* C5* gd_27 P O5* C5* C4* gd_7 O5* C5* C4* O4* gd_8 O5* C5* C4* O4* gd_25 O5* C5* C4* C3* gd_17 O5* C5* C4* C3* gd_34 C3* C4* O4* C1* gd_29 C5* C4* C3* C2* gd_34 C5* C4* C3* O3* gd_17 O4* C4* C3* C2* gd_17 O4* C4* C3* O3* gd_18 C4* O4* C1* C2* gd_29 O4* C1* N1 C2 gd_16 O4* C1* C2* O2* gd_18 O4* C1* C2* C3* gd_17 O4* C1* C2* C3* gd_34 N1 C1* C2* O2* gd_17 N3 C4 N4 H41 gd_14 C1* C2* O2* H2* gd_23 C1* C2* C3* C4* gd_34 C1* C2* C3* O3* gd_17 O2* C2* C3* C4* gd_17 O2* C2* C3* O3* gd_18 C4* C3* O3* +P gd_29 [ URA ] [ atoms ] P P 0.99000 0 O1P OM -0.63500 0 O2P OM -0.63500 0 O5* OA -0.36000 0 C5* CH2 0.00000 1 C4* CH1 0.16000 2 O4* OA -0.36000 2 C1* CH1 0.20000 2 N1 NR -0.20000 3 C6 C 0.10000 3 H6 HC 0.10000 3 C2 C 0.45000 4 O2 O -0.45000 4 N3 NR -0.31000 5 H3 H 0.31000 5 C4 C 0.45000 6 O4 O -0.45000 6 C5 C -0.10000 7 H5 HC 0.10000 7 C2* CH1 0.15000 8 O2* OA -0.54800 8 H2* H 0.39800 8 C3* CH1 0.000 9 O3* OA -0.360 10 [ bonds ] P O1P gb_24 P O2P gb_24 P O5* gb_28 O5* C5* gb_20 C5* C4* gb_26 C4* O4* gb_20 C4* C3* gb_26 O4* C1* gb_20 C1* N1 gb_23 C1* C2* gb_26 N1 C6 gb_17 N1 C2 gb_17 C6 H6 gb_3 C6 C5 gb_16 C2 O2 gb_5 C2 N3 gb_17 N3 H3 gb_2 N3 C4 gb_17 C4 O4 gb_5 C4 C5 gb_16 C5 H5 gb_3 C2* O2* gb_20 C2* C3* gb_26 O2* H2* gb_1 C3* O3* gb_20 O3* +P gb_28 [ exclusions ] ; ai aj C1* H6 C1* O2 C1* N3 C1* C5 N1 H3 N1 C4 N1 H5 C6 O2 C6 N3 C6 O4 H6 C2 H6 C4 H6 H5 C2 O4 C2 C5 O2 H3 O2 C4 N3 H5 H3 O4 H3 C5 O4 H5 H5 -O3* O2* O3* [ angles ] ; ai aj ak gromos type -O3* P O1P ga_14 -O3* P O2P ga_14 -O3* P O5* ga_5 O1P P O2P ga_29 O1P P O5* ga_14 O2P P O5* ga_14 P O5* C5* ga_26 O5* C5* C4* ga_9 C5* C4* O4* ga_9 C5* C4* C3* ga_8 O4* C4* C3* ga_9 C4* O4* C1* ga_10 O4* C1* N1 ga_9 O4* C1* C2* ga_9 N1 C1* C2* ga_8 C1* N1 C6 ga_27 C1* N1 C2 ga_27 C6 N1 C2 ga_27 N1 C6 H6 ga_25 N1 C6 C5 ga_27 H6 C6 C5 ga_25 N1 C2 O2 ga_27 N1 C2 N3 ga_27 O2 C2 N3 ga_27 C2 N3 H3 ga_25 C2 N3 C4 ga_27 H3 N3 C4 ga_25 N3 C4 O4 ga_27 N3 C4 C5 ga_27 O4 C4 C5 ga_27 C6 C5 C4 ga_27 C6 C5 H5 ga_25 C4 C5 H5 ga_25 C1* C2* O2* ga_9 C1* C2* C3* ga_8 O2* C2* C3* ga_9 C2* O2* H2* ga_12 C4* C3* C2* ga_8 C4* C3* O3* ga_9 C2* C3* O3* ga_9 C3* O3* +P ga_26 [ impropers ] ; ai aj ak al gromos type N1 C6 C2 C1* gi_1 N1 C6 C5 C4 gi_1 N1 C2 N3 C4 gi_1 C6 N1 C2 N3 gi_1 C6 N1 C5 H6 gi_1 C2 N1 C6 C5 gi_1 C2 N3 C4 C5 gi_1 O2 N1 N3 C2 gi_1 N3 C4 C5 C6 gi_1 H3 C2 C4 N3 gi_1 O4 N3 C5 C4 gi_1 C5 C6 C4 H5 gi_1 C2* O4* N1 C1* gi_2 C2* O2* C3* C1* gi_2 C3* C5* O4* C4* gi_2 C3* C2* O3* C4* gi_2 [ dihedrals ] ; ai aj ak al gromos type -C3* -O3* P O5* gd_20 -C3* -O3* P O5* gd_27 -O3* P O5* C5* gd_20 -O3* P O5* C5* gd_27 P O5* C5* C4* gd_7 O5* C5* C4* O4* gd_8 O5* C5* C4* O4* gd_25 O5* C5* C4* C3* gd_17 O5* C5* C4* C3* gd_34 C3* C4* O4* C1* gd_29 C5* C4* C3* C2* gd_34 C5* C4* C3* O3* gd_17 O4* C4* C3* C2* gd_17 O4* C4* C3* O3* gd_18 C4* O4* C1* C2* gd_29 O4* C1* N1 C2 gd_16 O4* C1* C2* O2* gd_18 O4* C1* C2* C3* gd_17 O4* C1* C2* C3* gd_34 N1 C1* C2* O2* gd_17 C1* C2* O2* H2* gd_23 C1* C2* C3* C4* gd_34 C1* C2* C3* O3* gd_17 O2* C2* C3* C4* gd_17 O2* C2* C3* O3* gd_18 C4* C3* O3* +P gd_29 [ FMNO ] [ atoms ] FC9A C 0.20000 0 FN10 NR -0.20000 0 FC10A C 0.36000 1 FN1 NR -0.36000 1 FC2 C 0.38000 2 FO2 O -0.38000 2 FN3 NR -0.28000 3 FH3 H 0.28000 3 FC4 C 0.38000 4 FO4 O -0.38000 4 FC4A C 0.18000 5 FN5 NR -0.28000 5 FC5A C 0.10000 5 FC6 CR1 0.00000 6 FC7 C 0.00000 7 FCM7 CH3 0.00000 7 FC8 C 0.00000 8 FCM8 CH3 0.00000 8 FC9 CR1 0.00000 9 FCA CH2 0.00000 10 FCB CH1 0.15000 11 FOB OA -0.54800 11 FHB H 0.39800 11 FCG CH1 0.15000 12 FOG OA -0.54800 12 FHG H 0.39800 12 FCD CH1 0.15000 13 FOD OA -0.54800 13 FHD H 0.39800 13 FCE CH2 0.15000 14 FOZ OA -0.36000 14 FPH P 0.63000 14 FOH OA -0.54800 14 FHH H 0.39800 14 FOT1 OM -0.63500 14 FOT2 OM -0.63500 14 [ bonds ] FC9A FN10 gb_17 FC9A FC5A gb_16 FC9A FC9 gb_16 FN10 FC10A gb_17 FN10 FCA gb_23 FC10A FN1 gb_12 FC10A FC4A gb_16 FN1 FC2 gb_12 FC2 FO2 gb_5 FC2 FN3 gb_17 FN3 FH3 gb_2 FN3 FC4 gb_17 FC4 FO4 gb_5 FC4 FC4A gb_16 FC4A FN5 gb_12 FN5 FC5A gb_12 FC5A FC6 gb_16 FC6 FC7 gb_16 FC7 FCM7 gb_27 FC7 FC8 gb_16 FC8 FCM8 gb_27 FC8 FC9 gb_16 FCA FCB gb_27 FCB FOB gb_18 FCB FCG gb_27 FOB FHB gb_1 FCG FOG gb_18 FCG FCD gb_27 FOG FHG gb_1 FCD FOD gb_18 FCD FCE gb_27 FOD FHD gb_1 FCE FOZ gb_18 FOZ FPH gb_28 FPH FOH gb_28 FPH FOT1 gb_24 FPH FOT2 gb_24 FOH FHH gb_1 [ exclusions ] ; ai aj FC9A FN1 FC9A FC4A FC9A FC7 FC9A FCM8 FN10 FC2 FN10 FC4 FN10 FN5 FN10 FC6 FN10 FC8 FC10A FO2 FC10A FN3 FC10A FO4 FC10A FC5A FC10A FC9 FN1 FH3 FN1 FC4 FN1 FN5 FN1 FCA FC2 FO4 FC2 FC4A FO2 FH3 FO2 FC4 FN3 FN5 FH3 FO4 FH3 FC4A FC4 FC5A FO4 FN5 FC4A FC6 FC4A FCA FN5 FC7 FN5 FC9 FC5A FCM7 FC5A FC8 FC5A FCA FC6 FCM8 FC6 FC9 FCM7 FCM8 FCM7 FC9 FC9 FCA FOZ FHH FHH FOT1 FHH FOT2 [ angles ] ; ai aj ak gromos type FN10 FC9A FC5A ga_27 FN10 FC9A FC9 ga_27 FC5A FC9A FC9 ga_27 FC9A FN10 FC10A ga_27 FC9A FN10 FCA ga_27 FC10A FN10 FCA ga_27 FN10 FC10A FN1 ga_27 FN10 FC10A FC4A ga_27 FN1 FC10A FC4A ga_27 FC10A FN1 FC2 ga_27 FN1 FC2 FO2 ga_27 FN1 FC2 FN3 ga_27 FO2 FC2 FN3 ga_27 FC2 FN3 FH3 ga_25 FC2 FN3 FC4 ga_27 FH3 FN3 FC4 ga_25 FN3 FC4 FO4 ga_27 FN3 FC4 FC4A ga_27 FO4 FC4 FC4A ga_27 FC10A FC4A FC4 ga_27 FC10A FC4A FN5 ga_27 FC4 FC4A FN5 ga_27 FC4A FN5 FC5A ga_27 FC9A FC5A FN5 ga_27 FC9A FC5A FC6 ga_27 FN5 FC5A FC6 ga_27 FC5A FC6 FC7 ga_27 FC6 FC7 FCM7 ga_27 FC6 FC7 FC8 ga_27 FCM7 FC7 FC8 ga_27 FC7 FC8 FCM8 ga_27 FC7 FC8 FC9 ga_27 FCM8 FC8 FC9 ga_27 FC9A FC9 FC8 ga_27 FN10 FCA FCB ga_15 FCA FCB FOB ga_15 FCA FCB FCG ga_15 FOB FCB FCG ga_13 FCB FOB FHB ga_12 FCB FCG FOG ga_13 FCB FCG FCD ga_15 FOG FCG FCD ga_13 FCG FOG FHG ga_12 FCG FCD FOD ga_13 FCG FCD FCE ga_15 FOD FCD FCE ga_15 FCD FOD FHD ga_12 FCD FCE FOZ ga_15 FCE FOZ FPH ga_26 FOZ FPH FOH ga_5 FOZ FPH FOT1 ga_14 FOZ FPH FOT2 ga_14 FOH FPH FOT1 ga_14 FOH FPH FOT2 ga_14 FOT1 FPH FOT2 ga_29 FPH FOH FHH ga_12 [ impropers ] ; ai aj ak al gromos type FC9A FN10 FC9 FC5A gi_1 FC9A FC5A FC6 FC7 gi_1 FN10 FC9A FC5A FN5 gi_1 FN10 FC10A FC4A FN5 gi_1 FC10A FN1 FC2 FN3 gi_1 FN1 FC10A FC4A FC4 gi_1 FN1 FC2 FN3 FC4 gi_1 FC2 FN1 FN3 FO2 gi_1 FC2 FN3 FC4 FC4A gi_1 FN3 FC2 FC4 FH3 gi_1 FN3 FC4 FC4A FC10A gi_1 FC4 FN3 FC4A FO4 gi_1 FC4A FN10 FN1 FC10A gi_1 FC4A FC10A FN1 FC2 gi_1 FC4A FC4 FN5 FC10A gi_1 FC5A FC9A FC9 FC8 gi_1 FC5A FN5 FC6 FC9A gi_1 FC5A FC6 FC7 FC8 gi_1 FC6 FC7 FC8 FC9 gi_1 FC7 FC6 FC8 FCM7 gi_1 FC7 FC8 FC9 FC9A gi_1 FC8 FC7 FC9 FCM8 gi_1 FC9 FC9A FC5A FC6 gi_1 FCB FOB FCG FCA gi_2 FCG FOG FCD FCB gi_2 FCD FOD FCE FCG gi_2 [ dihedrals ] ; ai aj ak al gromos type FC5A FC9A FN10 FC10A gd_14 FC9A FN10 FC10A FC4A gd_14 FC9A FN10 FCA FCB gd_40 FC10A FC4A FN5 FC5A gd_14 FC4A FN5 FC5A FC9A gd_14 FN10 FCA FCB FCG gd_34 FCA FCB FOB FHB gd_23 FCA FCB FCG FCD gd_34 FCB FCG FOG FHG gd_23 FCB FCG FCD FCE gd_34 FCG FCD FOD FHD gd_23 FCG FCD FCE FOZ gd_34 FCD FCE FOZ FPH gd_29 FCE FOZ FPH FOH gd_19 FCE FOZ FPH FOH gd_22 FOZ FPH FOH FHH gd_19 FOZ FPH FOH FHH gd_22 [ FMNS ] [ atoms ] FC9A C 0.20000 0 FN10 NR -0.20000 0 FC10A C 0.36000 1 FN1 NR -0.36000 1 FC2 C 0.38000 2 FO2 O -0.38000 2 FN3 NR -0.28000 3 FH3 H 0.28000 3 FC4 C 0.38000 4 FO4 O -0.38000 4 FC4A C 0.00000 5 FN5 NR -0.28000 6 FH5 H 0.28000 6 FC5A C 0.00000 7 FC6 CR1 0.00000 8 FC7 C 0.00000 9 FCM7 CH3 0.00000 9 FC8 C 0.00000 10 FCM8 CH3 0.00000 10 FC9 CR1 0.00000 11 FCA CH2 0.00000 12 FCB CH1 0.15000 13 FOB OA -0.54800 13 FHB H 0.39800 13 FCG CH1 0.15000 14 FOG OA -0.54800 14 FHG H 0.39800 14 FCD CH1 0.15000 15 FOD OA -0.54800 15 FHD H 0.39800 15 FCE CH2 0.15000 16 FOZ OA -0.36000 16 FPH P 0.63000 16 FOH OA -0.54800 16 FHH H 0.39800 16 FOT1 OM -0.63500 16 FOT2 OM -0.63500 16 [ bonds ] FC9A FN10 gb_17 FC9A FC5A gb_16 FC9A FC9 gb_16 FN10 FC10A gb_17 FN10 FCA gb_23 FC10A FN1 gb_12 FC10A FC4A gb_16 FN1 FC2 gb_12 FC2 FO2 gb_5 FC2 FN3 gb_17 FN3 FH3 gb_2 FN3 FC4 gb_17 FC4 FO4 gb_5 FC4 FC4A gb_16 FC4A FN5 gb_17 FN5 FH5 gb_2 FN5 FC5A gb_17 FC5A FC6 gb_16 FC6 FC7 gb_16 FC7 FCM7 gb_27 FC7 FC8 gb_16 FC8 FCM8 gb_27 FC8 FC9 gb_16 FCA FCB gb_27 FCB FOB gb_18 FCB FCG gb_27 FOB FHB gb_1 FCG FOG gb_18 FCG FCD gb_27 FOG FHG gb_1 FCD FOD gb_18 FCD FCE gb_27 FOD FHD gb_1 FCE FOZ gb_18 FOZ FPH gb_28 FPH FOH gb_28 FPH FOT1 gb_24 FPH FOT2 gb_24 FOH FHH gb_1 [ exclusions ] ; ai aj FC9A FN1 FC9A FC4A FC9A FH5 FC9A FC7 FC9A FCM8 FN10 FC2 FN10 FC4 FN10 FN5 FN10 FC6 FN10 FC8 FC10A FO2 FC10A FN3 FC10A FO4 FC10A FH5 FC10A FC5A FC10A FC9 FN1 FH3 FN1 FC4 FN1 FN5 FN1 FCA FC2 FO4 FC2 FC4A FO2 FH3 FO2 FC4 FN3 FN5 FH3 FO4 FH3 FC4A FC4 FH5 FC4 FC5A FO4 FN5 FC4A FC6 FC4A FCA FN5 FC7 FN5 FC9 FH5 FC6 FC5A FCM7 FC5A FC8 FC5A FCA FC6 FCM8 FC6 FC9 FCM7 FCM8 FCM7 FC9 FC9 FCA FOZ FHH FHH FOT1 FHH FOT2 [ angles ] ; ai aj ak gromos type FN10 FC9A FC5A ga_27 FN10 FC9A FC9 ga_27 FC5A FC9A FC9 ga_27 FC9A FN10 FC10A ga_27 FC9A FN10 FCA ga_27 FC10A FN10 FCA ga_27 FN10 FC10A FN1 ga_27 FN10 FC10A FC4A ga_27 FN1 FC10A FC4A ga_27 FC10A FN1 FC2 ga_27 FN1 FC2 FO2 ga_27 FN1 FC2 FN3 ga_27 FO2 FC2 FN3 ga_27 FC2 FN3 FH3 ga_25 FC2 FN3 FC4 ga_27 FH3 FN3 FC4 ga_25 FN3 FC4 FO4 ga_27 FN3 FC4 FC4A ga_27 FO4 FC4 FC4A ga_27 FC10A FC4A FC4 ga_27 FC10A FC4A FN5 ga_27 FC4 FC4A FN5 ga_27 FC4A FN5 FH5 ga_25 FC4A FN5 FC5A ga_27 FH5 FN5 FC5A ga_25 FC9A FC5A FN5 ga_27 FC9A FC5A FC6 ga_27 FN5 FC5A FC6 ga_27 FC5A FC6 FC7 ga_27 FC6 FC7 FCM7 ga_27 FC6 FC7 FC8 ga_27 FCM7 FC7 FC8 ga_27 FC7 FC8 FCM8 ga_27 FC7 FC8 FC9 ga_27 FCM8 FC8 FC9 ga_27 FC9A FC9 FC8 ga_27 FN10 FCA FCB ga_15 FCA FCB FOB ga_15 FCA FCB FCG ga_15 FOB FCB FCG ga_13 FCB FOB FHB ga_12 FCB FCG FOG ga_13 FCB FCG FCD ga_15 FOG FCG FCD ga_13 FCG FOG FHG ga_12 FCG FCD FOD ga_13 FCG FCD FCE ga_15 FOD FCD FCE ga_15 FCD FOD FHD ga_12 FCD FCE FOZ ga_15 FCE FOZ FPH ga_26 FOZ FPH FOH ga_5 FOZ FPH FOT1 ga_14 FOZ FPH FOT2 ga_14 FOH FPH FOT1 ga_14 FOH FPH FOT2 ga_14 FOT1 FPH FOT2 ga_29 FPH FOH FHH ga_12 [ impropers ] ; ai aj ak al gromos type FC9A FN10 FC9 FC5A gi_1 FC9A FC5A FC6 FC7 gi_1 FN10 FC9A FC5A FN5 gi_1 FN10 FC10A FC4A FN5 gi_1 FC10A FN1 FC2 FN3 gi_1 FN1 FC10A FC4A FC4 gi_1 FN1 FC2 FN3 FC4 gi_1 FC2 FN1 FN3 FO2 gi_1 FC2 FN3 FC4 FC4A gi_1 FN3 FC2 FC4 FH3 gi_1 FN3 FC4 FC4A FC10A gi_1 FC4 FN3 FC4A FO4 gi_1 FC4A FN10 FN1 FC10A gi_1 FC4A FC10A FN1 FC2 gi_1 FC4A FC4 FN5 FC10A gi_1 FC5A FC9A FC9 FC8 gi_1 FC5A FN5 FC6 FC9A gi_1 FC5A FC6 FC7 FC8 gi_1 FC6 FC7 FC8 FC9 gi_1 FC7 FC6 FC8 FCM7 gi_1 FC7 FC8 FC9 FC9A gi_1 FC8 FC7 FC9 FCM8 gi_1 FC9 FC9A FC5A FC6 gi_1 FCB FOB FCG FCA gi_2 FCG FOG FCD FCB gi_2 FCD FOD FCE FCG gi_2 [ dihedrals ] ; ai aj ak al gromos type FC5A FC9A FN10 FC10A gd_14 FC9A FN10 FC10A FC4A gd_14 FC9A FN10 FCA FCB gd_40 FC10A FC4A FN5 FC5A gd_14 FC4A FN5 FC5A FC9A gd_14 FN10 FCA FCB FCG gd_34 FCA FCB FOB FHB gd_23 FCA FCB FCG FCD gd_34 FCB FCG FOG FHG gd_23 FCB FCG FCD FCE gd_34 FCG FCD FOD FHD gd_23 FCG FCD FCE FOZ gd_34 FCD FCE FOZ FPH gd_29 FCE FOZ FPH FOH gd_19 FCE FOZ FPH FOH gd_22 FOZ FPH FOH FHH gd_19 FOZ FPH FOH FHH gd_22 [ FMNR ] [ atoms ] FC9A C 0.10000 0 FN10 NR -0.20000 0 FC10A C 0.10000 0 FN1 NR -0.28000 1 FH1 H 0.28000 1 FC2 C 0.38000 2 FO2 O -0.38000 2 FN3 NR -0.28000 3 FH3 H 0.28000 3 FC4 C 0.38000 4 FO4 O -0.38000 4 FC4A C 0.00000 5 FN5 NR -0.28000 6 FH5 H 0.28000 6 FC5A C 0.00000 7 FC6 CR1 0.00000 8 FC7 C 0.00000 9 FCM7 CH3 0.00000 9 FC8 C 0.00000 10 FCM8 CH3 0.00000 10 FC9 CR1 0.00000 11 FCA CH2 0.00000 12 FCB CH1 0.15000 13 FOB OA -0.54800 13 FHB H 0.39800 13 FCG CH1 0.15000 14 FOG OA -0.54800 14 FHG H 0.39800 14 FCD CH1 0.15000 15 FOD OA -0.54800 15 FHD H 0.39800 15 FCE CH2 0.15000 16 FOZ OA -0.36000 16 FPH P 0.63000 16 FOH OA -0.54800 16 FHH H 0.39800 16 FOT1 OM -0.63500 16 FOT2 OM -0.63500 16 [ bonds ] FC9A FN10 gb_17 FC9A FC5A gb_16 FC9A FC9 gb_16 FN10 FC10A gb_17 FN10 FCA gb_23 FC10A FN1 gb_17 FC10A FC4A gb_16 FN1 FH1 gb_2 FN1 FC2 gb_17 FC2 FO2 gb_15 FC2 FN3 gb_17 FN3 FH3 gb_2 FN3 FC4 gb_17 FC4 FO4 gb_5 FC4 FC4A gb_16 FC4A FN5 gb_17 FN5 FH5 gb_2 FN5 FC5A gb_17 FC5A FC6 gb_16 FC6 FC7 gb_16 FC7 FCM7 gb_27 FC7 FC8 gb_16 FC8 FCM8 gb_27 FC8 FC9 gb_16 FCA FCB gb_27 FCB FOB gb_18 FCB FCG gb_27 FOB FHB gb_1 FCG FOG gb_18 FCG FCD gb_27 FOG FHG gb_1 FCD FOD gb_18 FCD FCE gb_27 FOD FHD gb_1 FCE FOZ gb_18 FOZ FPH gb_28 FPH FOH gb_28 FPH FOT1 gb_24 FPH FOT2 gb_24 FOH FHH gb_1 [ exclusions ] ; ai aj FC9A FN1 FC9A FC4A FC9A FH5 FC9A FC7 FC9A FCM8 FN10 FH1 FN10 FC2 FN10 FC4 FN10 FN5 FN10 FC6 FN10 FC8 FC10A FO2 FC10A FN3 FC10A FO4 FC10A FH5 FC10A FC5A FC10A FC9 FN1 FH3 FN1 FC4 FN1 FN5 FN1 FCA FH1 FO2 FH1 FN3 FH1 FC4A FC2 FO4 FC2 FC4A FO2 FH3 FO2 FC4 FN3 FN5 FH3 FO4 FH3 FC4A FC4 FH5 FC4 FC5A FO4 FN5 FC4A FC6 FC4A FCA FN5 FC7 FN5 FC9 FH5 FC6 FC5A FCM7 FC5A FC8 FC5A FCA FC6 FCM8 FC6 FC9 FCM7 FCM8 FCM7 FC9 FC9 FCA FOZ FHH FHH FOT1 FHH FOT2 FOT1 +N [ angles ] ; ai aj ak gromos type FN10 FC9A FC5A ga_27 FN10 FC9A FC9 ga_27 FC5A FC9A FC9 ga_27 FC9A FN10 FC10A ga_27 FC9A FN10 FCA ga_27 FC10A FN10 FCA ga_27 FN10 FC10A FN1 ga_27 FN10 FC10A FC4A ga_27 FN1 FC10A FC4A ga_27 FC10A FN1 FH1 ga_25 FC10A FN1 FC2 ga_27 FH1 FN1 FC2 ga_25 FN1 FC2 FO2 ga_27 FN1 FC2 FN3 ga_27 FO2 FC2 FN3 ga_27 FC2 FN3 FH3 ga_25 FC2 FN3 FC4 ga_27 FH3 FN3 FC4 ga_25 FN3 FC4 FO4 ga_27 FN3 FC4 FC4A ga_27 FO4 FC4 FC4A ga_27 FC10A FC4A FC4 ga_27 FC10A FC4A FN5 ga_27 FC4 FC4A FN5 ga_27 FC4A FN5 FH5 ga_25 FC4A FN5 FC5A ga_27 FH5 FN5 FC5A ga_25 FC9A FC5A FN5 ga_27 FC9A FC5A FC6 ga_27 FN5 FC5A FC6 ga_27 FC5A FC6 FC7 ga_27 FC6 FC7 FCM7 ga_27 FC6 FC7 FC8 ga_27 FCM7 FC7 FC8 ga_27 FC7 FC8 FCM8 ga_27 FC7 FC8 FC9 ga_27 FCM8 FC8 FC9 ga_27 FC9A FC9 FC8 ga_27 FN10 FCA FCB ga_15 FCA FCB FOB ga_15 FCA FCB FCG ga_15 FOB FCB FCG ga_13 FCB FOB FHB ga_12 FCB FCG FOG ga_13 FCB FCG FCD ga_15 FOG FCG FCD ga_13 FCG FOG FHG ga_12 FCG FCD FOD ga_13 FCG FCD FCE ga_15 FOD FCD FCE ga_15 FCD FOD FHD ga_12 FCD FCE FOZ ga_15 FCE FOZ FPH ga_26 FOZ FPH FOH ga_5 FOZ FPH FOT1 ga_14 FOZ FPH FOT2 ga_14 FOH FPH FOT1 ga_14 FOH FPH FOT2 ga_14 FOT1 FPH FOT2 ga_29 FPH FOH FHH ga_12 [ impropers ] ; ai aj ak al gromos type FC9A FN10 FC9 FC5A gi_1 FC9A FC5A FC6 FC7 gi_1 FN10 FC9A FC5A FN5 gi_1 FN10 FC10A FC4A FN5 gi_1 FC10A FN1 FC2 FN3 gi_1 FN1 FC10A FC2 FH1 gi_1 FN1 FC10A FC4A FC4 gi_1 FN1 FC2 FN3 FC4 gi_1 FC2 FN1 FN3 FO2 gi_1 FC2 FN3 FC4 FC4A gi_1 FN3 FC2 FC4 FH3 gi_1 FN3 FC4 FC4A FC10A gi_1 FC4 FN3 FC4A FO4 gi_1 FC4A FN10 FN1 FC10A gi_1 FC4A FC10A FN1 FC2 gi_1 FC4A FC4 FN5 FC10A gi_1 FC5A FC9A FC9 FC8 gi_1 FC5A FN5 FC6 FC9A gi_1 FC5A FC6 FC7 FC8 gi_1 FC6 FC7 FC8 FC9 gi_1 FC7 FC6 FC8 FCM7 gi_1 FC7 FC8 FC9 FC9A gi_1 FC8 FC7 FC9 FCM8 gi_1 FC9 FC9A FC5A FC6 gi_1 FCB FOB FCG FCA gi_2 FCG FOG FCD FCB gi_2 FCD FOD FCE FCG gi_2 [ dihedrals ] ; ai aj ak al gromos type FC5A FC9A FN10 FC10A gd_14 FC9A FN10 FC10A FC4A gd_14 FC9A FN10 FCA FCB gd_40 FC10A FC4A FN5 FC5A gd_14 FC4A FN5 FC5A FC9A gd_14 FN10 FCA FCB FCG gd_34 FCA FCB FOB FHB gd_23 FCA FCB FCG FCD gd_34 FCB FCG FOG FHG gd_23 FCB FCG FCD FCE gd_34 FCG FCD FOD FHD gd_23 FCG FCD FCE FOZ gd_34 FCD FCE FOZ FPH gd_29 FCE FOZ FPH FOH gd_19 FCE FOZ FPH FOH gd_22 FOZ FPH FOH FHH gd_19 FOZ FPH FOH FHH gd_22 [ PFN ] [ atoms ] FC9A C 0.00000 0 FC10 CR1 0.00000 0 FC10A C 0.00000 0 FC1 CR1 0.00000 1 FC2 CR1 0.00000 1 FC3 C 0.00000 2 FN3 NT -0.83000 3 FH31 H 0.41500 3 FH32 H 0.41500 3 FC4 CR1 0.00000 4 FC4A C 0.15000 5 FN5 NR 0.28500 5 FH5 H 0.41500 5 FC5A C 0.15000 5 FC6 CR1 0.00000 6 FC7 C 0.00000 7 FN7 NT -0.83000 8 FH71 H 0.41500 8 FH72 H 0.41500 8 FC8 CR1 0.00000 9 FC9 CR1 0.00000 9 [ bonds ] FC9A FC10 gb_16 FC9A FC5A gb_16 FC9A FC9 gb_16 FC10 FC10A gb_16 FC10A FC1 gb_16 FC10A FC4A gb_16 FC1 FC2 gb_16 FC2 FC3 gb_16 FC3 FN3 gb_9 FC3 FC4 gb_16 FN3 FH31 gb_2 FN3 FH32 gb_2 FC4 FC4A gb_16 FC4A FN5 gb_17 FN5 FH5 gb_2 FN5 FC5A gb_17 FC5A FC6 gb_16 FC6 FC7 gb_16 FC7 FN7 gb_9 FC7 FC8 gb_16 FN7 FH71 gb_2 FN7 FH72 gb_2 FC8 FC9 gb_16 [ exclusions ] ; ai aj FC9A FC1 FC9A FC4A FC9A FH5 FC9A FC7 FC10 FC2 FC10 FC4 FC10 FN5 FC10 FC6 FC10 FC8 FC10A FC3 FC10A FH5 FC10A FC5A FC10A FC9 FC1 FN3 FC1 FC4 FC1 FN5 FC2 FC4A FC3 FN5 FN3 FC4A FC4 FH5 FC4 FC5A FC4A FC6 FN5 FC7 FN5 FC9 FH5 FC6 FC5A FN7 FC5A FC8 FC6 FC9 FN7 FC9 [ angles ] ; ai aj ak gromos type FC10 FC9A FC5A ga_27 FC10 FC9A FC9 ga_27 FC5A FC9A FC9 ga_27 FC9A FC10 FC10A ga_27 FC10 FC10A FC1 ga_27 FC10 FC10A FC4A ga_27 FC1 FC10A FC4A ga_27 FC10A FC1 FC2 ga_27 FC1 FC2 FC3 ga_27 FC2 FC3 FN3 ga_27 FC2 FC3 FC4 ga_27 FN3 FC3 FC4 ga_27 FC3 FN3 FH31 ga_23 FC3 FN3 FH32 ga_23 FH31 FN3 FH32 ga_24 FC3 FC4 FC4A ga_27 FC10A FC4A FC4 ga_27 FC10A FC4A FN5 ga_27 FC4 FC4A FN5 ga_27 FC4A FN5 FH5 ga_25 FC4A FN5 FC5A ga_27 FH5 FN5 FC5A ga_25 FC9A FC5A FN5 ga_27 FC9A FC5A FC6 ga_27 FN5 FC5A FC6 ga_27 FC5A FC6 FC7 ga_27 FC6 FC7 FN7 ga_27 FC6 FC7 FC8 ga_27 FN7 FC7 FC8 ga_27 FC7 FN7 FH71 ga_23 FC7 FN7 FH72 ga_23 FH71 FN7 FH72 ga_24 FC7 FC8 FC9 ga_27 FC9A FC9 FC8 ga_27 [ impropers ] ; ai aj ak al gromos type FC9A FC10 FC10A FC4A gi_1 FC9A FC10 FC9 FC5A gi_1 FC9A FC5A FC6 FC7 gi_1 FC10 FC9A FC5A FN5 gi_1 FC10 FC10A FC4A FN5 gi_1 FC10A FC1 FC2 FC3 gi_1 FC10A FC4A FN5 FC5A gi_1 FC1 FC10A FC4A FC4 gi_1 FC1 FC2 FC3 FC4 gi_1 FC2 FC3 FC4 FC4A gi_1 FC3 FC2 FC4 FN3 gi_1 FC3 FC4 FC4A FC10A gi_1 FN3 FH31 FH32 FC3 gi_1 FC4A FC10 FC1 FC10A gi_1 FC4A FC10A FC1 FC2 gi_1 FC4A FC4 FN5 FC10A gi_1 FC4A FN5 FC5A FC9A gi_1 FN5 FC4A FC5A FH5 gi_1 FC5A FC9A FC10 FC10A gi_1 FC5A FC9A FC9 FC8 gi_1 FC5A FN5 FC6 FC9A gi_1 FC5A FC6 FC7 FC8 gi_1 FC6 FC7 FC8 FC9 gi_1 FC7 FC8 FC9 FC9A gi_1 FN7 FC6 FC8 FC7 gi_1 FN7 FH71 FH72 FC7 gi_1 FC9 FC9A FC5A FC6 gi_1 [ dihedrals ] ; ai aj ak al gromos type FC2 FC3 FN3 FH31 gd_14 FC8 FC7 FN7 FH71 gd_14 [ NADP ] [ atoms ] AP P 0.76000 0 AO1P OM -0.63500 0 AO2P OM -0.63500 0 AO5* OA -0.36000 0 O3P OA -0.26000 1 NP P 0.76000 1 NO1P OM -0.63500 1 NO2P OM -0.63500 1 NO5* OA -0.36000 1 AC5* CH2 0.00000 2 AC4* CH1 0.16000 3 AO4* OA -0.36000 3 AC1* CH1 0.20000 3 AN9 NR -0.20000 4 AC4 C 0.20000 4 AN3 NR -0.36000 5 AC2 CR1 0.36000 5 AN1 NR -0.36000 6 AC6 C 0.36000 6 AN6 NT -0.83000 7 AH61 H 0.41500 7 AH62 H 0.41500 7 AC5 C 0.00000 8 AN7 NR -0.36000 8 AC8 CR1 0.36000 8 AC2* CH1 0.15000 9 AO2* OA -0.54800 9 AH2* H 0.39800 9 AC3* CH1 0.15000 10 AO3* OA -0.54800 10 AH3* H 0.39800 10 NC5* CH2 0.00000 11 NC4* CH1 0.16000 12 NO4* OA -0.36000 12 NC1* CH1 0.20000 12 NN1 NR 0.10000 13 NC6 CR1 0.30000 13 NC2 CR1 0.25000 13 NC3 C 0.00000 13 NC4 CR1 0.25000 13 NC5 CR1 0.10000 13 NC7 C 0.38000 14 NO7 O -0.38000 14 NN7 NT -0.83000 15 NH71 H 0.41500 15 NH72 H 0.41500 15 NC2* CH1 0.15000 16 NO2* OA -0.54800 16 NH2* H 0.39800 16 NC3* CH1 0.15000 17 NO3* OA -0.54800 17 NH3* H 0.39800 17 [ bonds ] AP AO1P gb_24 AP AO2P gb_24 AP AO5* gb_28 AP O3P gb_28 AO5* AC5* gb_20 O3P NP gb_28 NP NO1P gb_24 NP NO2P gb_24 NP NO5* gb_28 NO5* NC5* gb_20 AC5* AC4* gb_26 AC4* AO4* gb_20 AC4* AC3* gb_26 AO4* AC1* gb_20 AC1* AN9 gb_22 AC1* AC2* gb_26 AN9 AC4 gb_10 AN9 AC8 gb_10 AC4 AN3 gb_12 AC4 AC5 gb_16 AN3 AC2 gb_7 AC2 AN1 gb_7 AN1 AC6 gb_12 AC6 AN6 gb_9 AC6 AC5 gb_16 AN6 AH61 gb_2 AN6 AH62 gb_2 AC5 AN7 gb_10 AN7 AC8 gb_10 AC2* AO2* gb_20 AC2* AC3* gb_26 AO2* AH2* gb_1 AC3* AO3* gb_20 AO3* AH3* gb_1 NC5* NC4* gb_26 NC4* NO4* gb_20 NC4* NC3* gb_26 NO4* NC1* gb_20 NC1* NN1 gb_23 NC1* NC2* gb_26 NN1 NC6 gb_17 NN1 NC2 gb_17 NC6 NC5 gb_16 NC2 NC3 gb_16 NC3 NC4 gb_16 NC3 NC7 gb_27 NC4 NC5 gb_16 NC7 NO7 gb_5 NC7 NN7 gb_9 NN7 NH71 gb_2 NN7 NH72 gb_2 NC2* NO2* gb_20 NC2* NC3* gb_26 NO2* NH2* gb_1 NC3* NO3* gb_20 NO3* NH3* gb_1 [ exclusions ] ; ai aj AC1* AN3 AC1* AC5 AC1* AN7 AN9 AC2 AN9 AC6 AC4 AN1 AC4 AN6 AN3 AC6 AN3 AN7 AN3 AC8 AC2 AN6 AC2 AC5 AN1 AN7 AC6 AC8 AN6 AN7 NC1* NC3 NC1* NC5 NN1 NC4 NN1 NC7 NC6 NC3 NC2 NC5 NC5 NC7 [ angles ] ; ai aj ak gromos type AO1P AP AO2P ga_29 AO1P AP AO5* ga_14 AO1P AP O3P ga_14 AO2P AP AO5* ga_14 AO2P AP O3P ga_14 AO5* AP O3P ga_5 AP AO5* AC5* ga_26 AP O3P NP ga_26 O3P NP NO1P ga_14 O3P NP NO2P ga_14 O3P NP NO5* ga_5 NO1P NP NO2P ga_29 NO1P NP NO5* ga_14 NO2P NP NO5* ga_14 NP NO5* NC5* ga_26 AO5* AC5* AC4* ga_9 AC5* AC4* AO4* ga_9 AC5* AC4* AC3* ga_8 AO4* AC4* AC3* ga_9 AC4* AO4* AC1* ga_10 AO4* AC1* AN9 ga_9 AO4* AC1* AC2* ga_9 AN9 AC1* AC2* ga_9 AC1* AN9 AC4 ga_37 AC1* AN9 AC8 ga_37 AC4 AN9 AC8 ga_7 AN9 AC4 AN3 ga_39 AN9 AC4 AC5 ga_7 AN3 AC4 AC5 ga_27 AC4 AN3 AC2 ga_27 AN3 AC2 AN1 ga_27 AC2 AN1 AC6 ga_27 AN1 AC6 AN6 ga_27 AN1 AC6 AC5 ga_27 AN6 AC6 AC5 ga_27 AC6 AN6 AH61 ga_23 AC6 AN6 AH62 ga_23 AH61 AN6 AH62 ga_24 AC4 AC5 AC6 ga_27 AC4 AC5 AN7 ga_7 AC6 AC5 AN7 ga_39 AC5 AN7 AC8 ga_7 AN9 AC8 AN7 ga_7 AC1* AC2* AO2* ga_9 AC1* AC2* AC3* ga_8 AO2* AC2* AC3* ga_9 AC2* AO2* AH2* ga_12 AC4* AC3* AC2* ga_8 AC4* AC3* AO3* ga_9 AC2* AC3* AO3* ga_9 AC3* AO3* AH3* ga_12 NO5* NC5* NC4* ga_9 NC5* NC4* NO4* ga_9 NC5* NC4* NC3* ga_8 NO4* NC4* NC3* ga_9 NC4* NO4* NC1* ga_10 NO4* NC1* NN1 ga_9 NO4* NC1* NC2* ga_9 NN1 NC1* NC2* ga_8 NC1* NN1 NC6 ga_27 NC1* NN1 NC2 ga_27 NC6 NN1 NC2 ga_27 NN1 NC6 NC5 ga_27 NN1 NC2 NC3 ga_27 NC2 NC3 NC4 ga_27 NC2 NC3 NC7 ga_27 NC4 NC3 NC7 ga_27 NC3 NC4 NC5 ga_27 NC6 NC5 NC4 ga_27 NC3 NC7 NO7 ga_30 NC3 NC7 NN7 ga_19 NO7 NC7 NN7 ga_33 NC7 NN7 NH71 ga_23 NC7 NN7 NH72 ga_23 NH71 NN7 NH72 ga_24 NC1* NC2* NO2* ga_9 NC1* NC2* NC3* ga_8 NO2* NC2* NC3* ga_9 NC2* NO2* NH2* ga_12 NC4* NC3* NC2* ga_8 NC4* NC3* NO3* ga_9 NC2* NC3* NO3* ga_9 NC3* NO3* NH3* ga_12 [ impropers ] ; ai aj ak al gromos type AC1* AC4 AC8 AN9 gi_1 AN9 AC4 AC5 AN7 gi_1 AC4 AN9 AN3 AC5 gi_1 AC4 AN9 AC8 AN7 gi_1 AC4 AN3 AC2 AN1 gi_1 AC4 AC5 AN7 AC8 gi_1 AN3 AC4 AC5 AC6 gi_1 AN3 AC2 AN1 AC6 gi_1 AC2 AN1 AC6 AC5 gi_1 AN1 AC6 AC5 AC4 gi_1 AN6 AN1 AC5 AC6 gi_1 AN6 AH61 AH62 AC6 gi_1 AC5 AC4 AN3 AC2 gi_1 AC5 AC6 AN7 AC4 gi_1 AC5 AN7 AC8 AN9 gi_1 AC8 AN9 AC4 AC5 gi_1 AC2* AO4* AN9 AC1* gi_2 AC2* AO2* AC3* AC1* gi_2 AC3* AC5* AO4* AC4* gi_2 AC3* AC2* AO3* AC4* gi_2 NN1 NC6 NC2 NC1* gi_1 NN1 NC6 NC5 NC4 gi_1 NN1 NC2 NC3 NC4 gi_1 NC6 NN1 NC2 NC3 gi_1 NC2 NN1 NC6 NC5 gi_1 NC2 NC3 NC4 NC5 gi_1 NC3 NC4 NC5 NC6 gi_1 NC7 NC2 NC4 NC3 gi_1 NC7 NO7 NN7 NC3 gi_1 NN7 NH71 NH72 NC7 gi_1 NC2* NO4* NN1 NC1* gi_2 NC2* NO2* NC3* NC1* gi_2 NC3* NC5* NO4* NC4* gi_2 NC3* NC2* NO3* NC4* gi_2 [ dihedrals ] ; ai aj ak al gromos type O3P AP AO5* AC5* gd_19 O3P AP AO5* AC5* gd_22 AO5* AP O3P NP gd_19 AO5* AP O3P NP gd_22 AP AO5* AC5* AC4* gd_29 AP O3P NP NO5* gd_19 AP O3P NP NO5* gd_22 O3P NP NO5* NC5* gd_19 O3P NP NO5* NC5* gd_22 NP NO5* NC5* NC4* gd_29 AO5* AC5* AC4* AO4* gd_18 AO5* AC5* AC4* AC3* gd_17 AO5* AC5* AC4* AC3* gd_34 AC3* AC4* AO4* AC1* gd_29 AC5* AC4* AC3* AC2* gd_34 AC5* AC4* AC3* AO3* gd_17 AO4* AC4* AC3* AC2* gd_17 AO4* AC4* AC3* AO3* gd_18 AC4* AO4* AC1* AC2* gd_29 AO4* AC1* AN9 AC4 gd_16 AO4* AC1* AC2* AO2* gd_18 AO4* AC1* AC2* AC3* gd_17 AO4* AC1* AC2* AC3* gd_34 AN9 AC1* AC2* AO2* gd_17 AC5 AC6 AN6 AH61 gd_14 AC1* AC2* AO2* AH2* gd_23 AC1* AC2* AC3* AC4* gd_34 AC1* AC2* AC3* AO3* gd_17 AO2* AC2* AC3* AC4* gd_17 AO2* AC2* AC3* AO3* gd_18 AC4* AC3* AO3* AH3* gd_23 NO5* NC5* NC4* NO4* gd_18 NO5* NC5* NC4* NC3* gd_17 NO5* NC5* NC4* NC3* gd_34 NC3* NC4* NO4* NC1* gd_29 NC5* NC4* NC3* NC2* gd_34 NC5* NC4* NC3* NO3* gd_17 NO4* NC4* NC3* NC2* gd_17 NO4* NC4* NC3* NO3* gd_18 NC4* NO4* NC1* NC2* gd_29 NO4* NC1* NN1 NC2 gd_16 NO4* NC1* NC2* NO2* gd_18 NO4* NC1* NC2* NC3* gd_17 NO4* NC1* NC2* NC3* gd_34 NN1 NC1* NC2* NO2* gd_17 NC2 NC3 NC7 NN7 gd_10 NC3 NC7 NN7 NH71 gd_14 NC1* NC2* NO2* NH2* gd_23 NC1* NC2* NC3* NC4* gd_34 NC1* NC2* NC3* NO3* gd_17 NO2* NC2* NC3* NC4* gd_17 NO2* NC2* NC3* NO3* gd_18 NC4* NC3* NO3* NH3* gd_23 [ NADH ] [ atoms ] AP P 0.76000 0 AO1P OM -0.63500 0 AO2P OM -0.63500 0 AO5* OA -0.36000 0 O3P OA -0.26000 1 NP P 0.76000 1 NO1P OM -0.63500 1 NO2P OM -0.63500 1 NO5* OA -0.36000 1 AC5* CH2 0.00000 2 AC4* CH1 0.16000 3 AO4* OA -0.36000 3 AC1* CH1 0.20000 3 AN9 NR -0.20000 4 AC4 C 0.20000 4 AN3 NR -0.36000 5 AC2 CR1 0.36000 5 AN1 NR -0.36000 6 AC6 C 0.36000 6 AN6 NT -0.83000 7 AH61 H 0.41500 7 AH62 H 0.41500 7 AC5 C 0.00000 8 AN7 NR -0.36000 8 AC8 CR1 0.36000 8 AC2* CH1 0.15000 9 AO2* OA -0.54800 9 AH2* H 0.39800 9 AC3* CH1 0.15000 10 AO3* OA -0.54800 10 AH3* H 0.39800 10 NC5* CH2 0.00000 11 NC4* CH1 0.16000 12 NO4* OA -0.36000 12 NC1* CH1 0.20000 12 NN1 NR -0.20000 13 NC6 CR1 0.20000 13 NC2 CR1 0.00000 13 NC3 C 0.00000 13 NC4 CH2 0.00000 13 NC5 CR1 0.00000 13 NC7 C 0.38000 14 NO7 O -0.38000 14 NN7 NT -0.83000 15 NH71 H 0.41500 15 NH72 H 0.41500 15 NC2* CH1 0.15000 16 NO2* OA -0.54800 16 NH2* H 0.39800 16 NC3* CH1 0.15000 17 NO3* OA -0.54800 17 NH3* H 0.39800 17 [ bonds ] AP AO1P gb_24 AP AO2P gb_24 AP AO5* gb_28 AP O3P gb_28 AO5* AC5* gb_20 O3P NP gb_28 NP NO1P gb_24 NP NO2P gb_24 NP NO5* gb_28 NO5* NC5* gb_20 AC5* AC4* gb_26 AC4* AO4* gb_20 AC4* AC3* gb_26 AO4* AC1* gb_20 AC1* AN9 gb_22 AC1* AC2* gb_26 AN9 AC4 gb_10 AN9 AC8 gb_10 AC4 AN3 gb_12 AC4 AC5 gb_16 AN3 AC2 gb_7 AC2 AN1 gb_7 AN1 AC6 gb_12 AC6 AN6 gb_9 AC6 AC5 gb_16 AN6 AH61 gb_2 AN6 AH62 gb_2 AC5 AN7 gb_10 AN7 AC8 gb_10 AC2* AO2* gb_20 AC2* AC3* gb_26 AO2* AH2* gb_1 AC3* AO3* gb_20 AO3* AH3* gb_1 NC5* NC4* gb_26 NC4* NO4* gb_20 NC4* NC3* gb_26 NO4* NC1* gb_20 NC1* NN1 gb_23 NC1* NC2* gb_26 NN1 NC6 gb_17 NN1 NC2 gb_17 NC6 NC5 gb_16 NC2 NC3 gb_16 NC3 NC4 gb_15 NC3 NC7 gb_27 NC4 NC5 gb_15 NC7 NO7 gb_5 NC7 NN7 gb_9 NN7 NH71 gb_2 NN7 NH72 gb_2 NC2* NO2* gb_20 NC2* NC3* gb_26 NO2* NH2* gb_1 NC3* NO3* gb_20 NO3* NH3* gb_1 [ exclusions ] ; ai aj AC1* AN3 AC1* AC5 AC1* AN7 AN9 AC2 AN9 AC6 AC4 AN1 AC4 AN6 AN3 AC6 AN3 AN7 AN3 AC8 AC2 AN6 AC2 AC5 AN1 AN7 AC6 AC8 AN6 AN7 NC1* NC3 NC1* NC5 NN1 NC4 NN1 NC7 NC6 NC3 NC2 NC5 NC5 NC7 [ angles ] ; ai aj ak gromos type AO1P AP AO2P ga_29 AO1P AP AO5* ga_14 AO1P AP O3P ga_14 AO2P AP AO5* ga_14 AO2P AP O3P ga_14 AO5* AP O3P ga_5 AP AO5* AC5* ga_26 AP O3P NP ga_26 O3P NP NO1P ga_14 O3P NP NO2P ga_14 O3P NP NO5* ga_5 NO1P NP NO2P ga_29 NO1P NP NO5* ga_14 NO2P NP NO5* ga_14 NP NO5* NC5* ga_26 AO5* AC5* AC4* ga_9 AC5* AC4* AO4* ga_9 AC5* AC4* AC3* ga_8 AO4* AC4* AC3* ga_9 AC4* AO4* AC1* ga_10 AO4* AC1* AN9 ga_9 AO4* AC1* AC2* ga_9 AN9 AC1* AC2* ga_9 AC1* AN9 AC4 ga_37 AC1* AN9 AC8 ga_37 AC4 AN9 AC8 ga_7 AN9 AC4 AN3 ga_39 AN9 AC4 AC5 ga_7 AN3 AC4 AC5 ga_27 AC4 AN3 AC2 ga_27 AN3 AC2 AN1 ga_27 AC2 AN1 AC6 ga_27 AN1 AC6 AN6 ga_27 AN1 AC6 AC5 ga_27 AN6 AC6 AC5 ga_27 AC6 AN6 AH61 ga_23 AC6 AN6 AH62 ga_23 AH61 AN6 AH62 ga_24 AC4 AC5 AC6 ga_27 AC4 AC5 AN7 ga_7 AC6 AC5 AN7 ga_39 AC5 AN7 AC8 ga_7 AN9 AC8 AN7 ga_7 AC1* AC2* AO2* ga_9 AC1* AC2* AC3* ga_8 AO2* AC2* AC3* ga_9 AC2* AO2* AH2* ga_12 AC4* AC3* AC2* ga_8 AC4* AC3* AO3* ga_9 AC2* AC3* AO3* ga_9 AC3* AO3* AH3* ga_12 NO5* NC5* NC4* ga_9 NC5* NC4* NO4* ga_9 NC5* NC4* NC3* ga_8 NO4* NC4* NC3* ga_9 NC4* NO4* NC1* ga_10 NO4* NC1* NN1 ga_9 NO4* NC1* NC2* ga_9 NN1 NC1* NC2* ga_8 NC1* NN1 NC6 ga_27 NC1* NN1 NC2 ga_27 NC6 NN1 NC2 ga_27 NN1 NC6 NC5 ga_27 NN1 NC2 NC3 ga_27 NC2 NC3 NC4 ga_27 NC2 NC3 NC7 ga_27 NC4 NC3 NC7 ga_27 NC3 NC4 NC5 ga_27 NC6 NC5 NC4 ga_27 NC3 NC7 NO7 ga_30 NC3 NC7 NN7 ga_19 NO7 NC7 NN7 ga_33 NC7 NN7 NH71 ga_23 NC7 NN7 NH72 ga_23 NH71 NN7 NH72 ga_24 NC1* NC2* NO2* ga_9 NC1* NC2* NC3* ga_8 NO2* NC2* NC3* ga_9 NC2* NO2* NH2* ga_12 NC4* NC3* NC2* ga_8 NC4* NC3* NO3* ga_9 NC2* NC3* NO3* ga_9 NC3* NO3* NH3* ga_12 [ impropers ] ; ai aj ak al gromos type AC1* AC4 AC8 AN9 gi_1 AN9 AC4 AC5 AN7 gi_1 AC4 AN9 AN3 AC5 gi_1 AC4 AN9 AC8 AN7 gi_1 AC4 AN3 AC2 AN1 gi_1 AC4 AC5 AN7 AC8 gi_1 AN3 AC4 AC5 AC6 gi_1 AN3 AC2 AN1 AC6 gi_1 AC2 AN1 AC6 AC5 gi_1 AN1 AC6 AC5 AC4 gi_1 AN6 AN1 AC5 AC6 gi_1 AN6 AH61 AH62 AC6 gi_1 AC5 AC4 AN3 AC2 gi_1 AC5 AC6 AN7 AC4 gi_1 AC5 AN7 AC8 AN9 gi_1 AC8 AN9 AC4 AC5 gi_1 AC2* AO4* AN9 AC1* gi_2 AC2* AO2* AC3* AC1* gi_2 AC3* AC5* AO4* AC4* gi_2 AC3* AC2* AO3* AC4* gi_2 NN1 NC6 NC2 NC1* gi_1 NN1 NC6 NC5 NC4 gi_1 NN1 NC2 NC3 NC4 gi_1 NC6 NN1 NC2 NC3 gi_1 NC2 NN1 NC6 NC5 gi_1 NC2 NC3 NC4 NC5 gi_1 NC3 NC4 NC5 NC6 gi_1 NC7 NC2 NC4 NC3 gi_1 NC7 NO7 NN7 NC3 gi_1 NN7 NH71 NH72 NC7 gi_1 NC2* NO4* NN1 NC1* gi_2 NC2* NO2* NC3* NC1* gi_2 NC3* NC5* NO4* NC4* gi_2 NC3* NC2* NO3* NC4* gi_2 [ dihedrals ] ; ai aj ak al gromos type O3P AP AO5* AC5* gd_19 O3P AP AO5* AC5* gd_22 AO5* AP O3P NP gd_19 AO5* AP O3P NP gd_22 AP AO5* AC5* AC4* gd_29 AP O3P NP NO5* gd_19 AP O3P NP NO5* gd_22 O3P NP NO5* NC5* gd_19 O3P NP NO5* NC5* gd_22 NP NO5* NC5* NC4* gd_29 AO5* AC5* AC4* AO4* gd_18 AO5* AC5* AC4* AC3* gd_17 AO5* AC5* AC4* AC3* gd_34 AC3* AC4* AO4* AC1* gd_29 AC5* AC4* AC3* AC2* gd_34 AC5* AC4* AC3* AO3* gd_17 AO4* AC4* AC3* AC2* gd_17 AO4* AC4* AC3* AO3* gd_18 AC4* AO4* AC1* AC2* gd_29 AO4* AC1* AN9 AC4 gd_16 AO4* AC1* AC2* AO2* gd_18 AO4* AC1* AC2* AC3* gd_17 AO4* AC1* AC2* AC3* gd_34 AN9 AC1* AC2* AO2* gd_17 AC5 AC6 AN6 AH61 gd_14 AC1* AC2* AO2* AH2* gd_23 AC1* AC2* AC3* AC4* gd_34 AC1* AC2* AC3* AO3* gd_17 AO2* AC2* AC3* AC4* gd_17 AO2* AC2* AC3* AO3* gd_18 AC4* AC3* AO3* AH3* gd_23 NO5* NC5* NC4* NO4* gd_18 NO5* NC5* NC4* NC3* gd_17 NO5* NC5* NC4* NC3* gd_34 NC3* NC4* NO4* NC1* gd_29 NC5* NC4* NC3* NC2* gd_34 NC5* NC4* NC3* NO3* gd_17 NO4* NC4* NC3* NC2* gd_17 NO4* NC4* NC3* NO3* gd_18 NC4* NO4* NC1* NC2* gd_29 NO4* NC1* NN1 NC2 gd_16 NO4* NC1* NC2* NO2* gd_18 NO4* NC1* NC2* NC3* gd_17 NO4* NC1* NC2* NC3* gd_34 NN1 NC1* NC2* NO2* gd_17 NC2 NC3 NC7 NN7 gd_10 NC3 NC7 NN7 NH71 gd_14 NC1* NC2* NO2* NH2* gd_23 NC1* NC2* NC3* NC4* gd_34 NC1* NC2* NC3* NO3* gd_17 NO2* NC2* NC3* NC4* gd_17 NO2* NC2* NC3* NO3* gd_18 NC4* NC3* NO3* NH3* gd_23 [ NDPH ] [ atoms ] AP P 0.76000 0 AO1P OM -0.63500 0 AO2P OM -0.63500 0 AO5* OA -0.36000 0 O3P OA -0.26000 1 NP P 0.76000 1 NO1P OM -0.63500 1 NO2P OM -0.63500 1 NO5* OA -0.36000 1 AC5* CH2 0.00000 2 AC4* CH1 0.16000 3 AO4* OA -0.36000 3 AC1* CH1 0.20000 3 AN9 NR -0.20000 4 AC4 C 0.20000 4 AN3 NR -0.36000 5 AC2 CR1 0.36000 5 AN1 NR -0.36000 6 AC6 C 0.36000 6 AN6 NT -0.83000 7 AH61 H 0.41500 7 AH62 H 0.41500 7 AC5 C 0.00000 8 AN7 NR -0.36000 8 AC8 CR1 0.36000 8 AC2* CH1 0.15000 9 AO2* OA -0.36000 9 AP2* P 0.63000 9 AO6* OM -0.63500 9 AO7* OM -0.63500 9 AO8* OA -0.54800 9 AH8* H 0.39800 9 AC3* CH1 0.15000 10 AO3* OA -0.54800 10 AH3* H 0.39800 10 NC5* CH2 0.00000 11 NC4* CH1 0.16000 12 NO4* OA -0.36000 12 NC1* CH1 0.20000 12 NN1 NR -0.20000 13 NC6 CR1 0.20000 13 NC2 CR1 0.00000 13 NC3 C 0.00000 13 NC4 CH2 0.00000 13 NC5 CR1 0.00000 13 NC7 C 0.38000 14 NO7 O -0.38000 14 NN7 NT -0.83000 15 NH71 H 0.41500 15 NH72 H 0.41500 15 NC2* CH1 0.15000 16 NO2* OA -0.54800 16 NH2* H 0.39800 16 NC3* CH1 0.15000 17 NO3* OA -0.54800 17 NH3* H 0.39800 17 [ bonds ] AP AO1P gb_24 AP AO2P gb_24 AP AO5* gb_28 AP O3P gb_28 AO5* AC5* gb_20 O3P NP gb_28 NP NO1P gb_24 NP NO2P gb_24 NP NO5* gb_28 NO5* NC5* gb_20 AC5* AC4* gb_26 AC4* AO4* gb_20 AC4* AC3* gb_26 AO4* AC1* gb_20 AC1* AN9 gb_22 AC1* AC2* gb_26 AN9 AC4 gb_10 AN9 AC8 gb_10 AC4 AN3 gb_12 AC4 AC5 gb_16 AN3 AC2 gb_7 AC2 AN1 gb_7 AN1 AC6 gb_12 AC6 AN6 gb_9 AC6 AC5 gb_16 AN6 AH61 gb_2 AN6 AH62 gb_2 AC5 AN7 gb_10 AN7 AC8 gb_10 AC2* AO2* gb_20 AC2* AC3* gb_26 AO2* AP2* gb_28 AP2* AO6* gb_24 AP2* AO7* gb_24 AP2* AO8* gb_28 AO8* AH8* gb_1 AC3* AO3* gb_20 AO3* AH3* gb_1 NC5* NC4* gb_26 NC4* NO4* gb_20 NC4* NC3* gb_26 NO4* NC1* gb_20 NC1* NN1 gb_23 NC1* NC2* gb_26 NN1 NC6 gb_17 NN1 NC2 gb_17 NC6 NC5 gb_16 NC2 NC3 gb_16 NC3 NC4 gb_15 NC3 NC7 gb_27 NC4 NC5 gb_15 NC7 NO7 gb_5 NC7 NN7 gb_9 NN7 NH71 gb_2 NN7 NH72 gb_2 NC2* NO2* gb_20 NC2* NC3* gb_26 NO2* NH2* gb_1 NC3* NO3* gb_20 NO3* NH3* gb_1 [ exclusions ] ; ai aj AC1* AN3 AC1* AC5 AC1* AN7 AN9 AC2 AN9 AC6 AC4 AN1 AC4 AN6 AN3 AC6 AN3 AN7 AN3 AC8 AC2 AN6 AC2 AC5 AN1 AN7 AC6 AC8 AN6 AN7 AO2* AH8* AO6* AH8* AO7* AH8* NC1* NC3 NC1* NC5 NN1 NC4 NN1 NC7 NC6 NC3 NC2 NC5 NC5 NC7 [ angles ] ; ai aj ak gromos type AO1P AP AO2P ga_29 AO1P AP AO5* ga_14 AO1P AP O3P ga_14 AO2P AP AO5* ga_14 AO2P AP O3P ga_14 AO5* AP O3P ga_5 AP AO5* AC5* ga_26 AP O3P NP ga_26 O3P NP NO1P ga_14 O3P NP NO2P ga_14 O3P NP NO5* ga_5 NO1P NP NO2P ga_29 NO1P NP NO5* ga_14 NO2P NP NO5* ga_14 NP NO5* NC5* ga_26 AO5* AC5* AC4* ga_9 AC5* AC4* AO4* ga_9 AC5* AC4* AC3* ga_8 AO4* AC4* AC3* ga_9 AC4* AO4* AC1* ga_10 AO4* AC1* AN9 ga_9 AO4* AC1* AC2* ga_9 AN9 AC1* AC2* ga_9 AC1* AN9 AC4 ga_37 AC1* AN9 AC8 ga_37 AC4 AN9 AC8 ga_7 AN9 AC4 AN3 ga_39 AN9 AC4 AC5 ga_7 AN3 AC4 AC5 ga_27 AC4 AN3 AC2 ga_27 AN3 AC2 AN1 ga_27 AC2 AN1 AC6 ga_27 AN1 AC6 AN6 ga_27 AN1 AC6 AC5 ga_27 AN6 AC6 AC5 ga_27 AC6 AN6 AH61 ga_23 AC6 AN6 AH62 ga_23 AH61 AN6 AH62 ga_24 AC4 AC5 AC6 ga_27 AC4 AC5 AN7 ga_7 AC6 AC5 AN7 ga_39 AC5 AN7 AC8 ga_7 AN9 AC8 AN7 ga_7 AC1* AC2* AO2* ga_9 AC1* AC2* AC3* ga_8 AO2* AC2* AC3* ga_9 AC2* AO2* AP2* ga_26 AO2* AP2* AO6* ga_14 AO2* AP2* AO7* ga_14 AO2* AP2* AO8* ga_5 AO6* AP2* AO7* ga_29 AO6* AP2* AO8* ga_14 AO7* AP2* AO8* ga_14 AP2* AO8* AH8* ga_12 AC4* AC3* AC2* ga_8 AC4* AC3* AO3* ga_9 AC2* AC3* AO3* ga_9 AC3* AO3* AH3* ga_12 NO5* NC5* NC4* ga_9 NC5* NC4* NO4* ga_9 NC5* NC4* NC3* ga_8 NO4* NC4* NC3* ga_9 NC4* NO4* NC1* ga_10 NO4* NC1* NN1 ga_9 NO4* NC1* NC2* ga_9 NN1 NC1* NC2* ga_8 NC1* NN1 NC6 ga_27 NC1* NN1 NC2 ga_27 NC6 NN1 NC2 ga_27 NN1 NC6 NC5 ga_27 NN1 NC2 NC3 ga_27 NC2 NC3 NC4 ga_27 NC2 NC3 NC7 ga_27 NC4 NC3 NC7 ga_27 NC3 NC4 NC5 ga_27 NC6 NC5 NC4 ga_27 NC3 NC7 NO7 ga_30 NC3 NC7 NN7 ga_19 NO7 NC7 NN7 ga_33 NC7 NN7 NH71 ga_23 NC7 NN7 NH72 ga_23 NH71 NN7 NH72 ga_24 NC1* NC2* NO2* ga_9 NC1* NC2* NC3* ga_8 NO2* NC2* NC3* ga_9 NC2* NO2* NH2* ga_12 NC4* NC3* NC2* ga_8 NC4* NC3* NO3* ga_9 NC2* NC3* NO3* ga_9 NC3* NO3* NH3* ga_12 [ impropers ] ; ai aj ak al gromos type AC1* AC4 AC8 AN9 gi_1 AN9 AC4 AC5 AN7 gi_1 AC4 AN9 AN3 AC5 gi_1 AC4 AN9 AC8 AN7 gi_1 AC4 AN3 AC2 AN1 gi_1 AC4 AC5 AN7 AC8 gi_1 AN3 AC4 AC5 AC6 gi_1 AN3 AC2 AN1 AC6 gi_1 AC2 AN1 AC6 AC5 gi_1 AN1 AC6 AC5 AC4 gi_1 AN6 AN1 AC5 AC6 gi_1 AN6 AH61 AH62 AC6 gi_1 AC5 AC4 AN3 AC2 gi_1 AC5 AC6 AN7 AC4 gi_1 AC5 AN7 AC8 AN9 gi_1 AC8 AN9 AC4 AC5 gi_1 AC2* AO4* AN9 AC1* gi_2 AC2* AO2* AC3* AC1* gi_2 AC3* AC5* AO4* AC4* gi_2 AC3* AC2* AO3* AC4* gi_2 NN1 NC6 NC2 NC1* gi_1 NN1 NC6 NC5 NC4 gi_1 NN1 NC2 NC3 NC4 gi_1 NC6 NN1 NC2 NC3 gi_1 NC2 NN1 NC6 NC5 gi_1 NC2 NC3 NC4 NC5 gi_1 NC3 NC4 NC5 NC6 gi_1 NC7 NC2 NC4 NC3 gi_1 NC7 NO7 NN7 NC3 gi_1 NN7 NH71 NH72 NC7 gi_1 NC2* NO4* NN1 NC1* gi_2 NC2* NO2* NC3* NC1* gi_2 NC3* NC5* NO4* NC4* gi_2 NC3* NC2* NO3* NC4* gi_2 [ dihedrals ] ; ai aj ak al gromos type O3P AP AO5* AC5* gd_19 O3P AP AO5* AC5* gd_22 AO5* AP O3P NP gd_19 AO5* AP O3P NP gd_22 AP AO5* AC5* AC4* gd_29 AP O3P NP NO5* gd_19 AP O3P NP NO5* gd_22 O3P NP NO5* NC5* gd_19 O3P NP NO5* NC5* gd_22 NP NO5* NC5* NC4* gd_29 AO5* AC5* AC4* AO4* gd_18 AO5* AC5* AC4* AC3* gd_17 AO5* AC5* AC4* AC3* gd_34 AC3* AC4* AO4* AC1* gd_29 AC5* AC4* AC3* AC2* gd_34 AC5* AC4* AC3* AO3* gd_17 AO4* AC4* AC3* AC2* gd_17 AO4* AC4* AC3* AO3* gd_18 AC4* AO4* AC1* AC2* gd_29 AO4* AC1* AN9 AC4 gd_16 AO4* AC1* AC2* AO2* gd_18 AO4* AC1* AC2* AC3* gd_17 AO4* AC1* AC2* AC3* gd_34 AN9 AC1* AC2* AO2* gd_17 AC5 AC6 AN6 AH61 gd_14 AC1* AC2* AO2* AP2* gd_23 AC1* AC2* AC3* AC4* gd_34 AC1* AC2* AC3* AO3* gd_17 AO2* AC2* AC3* AC4* gd_17 AO2* AC2* AC3* AO3* gd_18 AC2* AO2* AP2* AO8* gd_19 AC2* AO2* AP2* AO8* gd_22 AO2* AP2* AO8* AH8* gd_19 AO2* AP2* AO8* AH8* gd_22 AC4* AC3* AO3* AH3* gd_23 NO5* NC5* NC4* NO4* gd_18 NO5* NC5* NC4* NC3* gd_17 NO5* NC5* NC4* NC3* gd_34 NC3* NC4* NO4* NC1* gd_29 NC5* NC4* NC3* NC2* gd_34 NC5* NC4* NC3* NO3* gd_17 NO4* NC4* NC3* NC2* gd_17 NO4* NC4* NC3* NO3* gd_18 NC4* NO4* NC1* NC2* gd_29 NO4* NC1* NN1 NC2 gd_16 NO4* NC1* NC2* NO2* gd_18 NO4* NC1* NC2* NC3* gd_17 NO4* NC1* NC2* NC3* gd_34 NN1 NC1* NC2* NO2* gd_17 NC2 NC3 NC7 NN7 gd_10 NC3 NC7 NN7 NH71 gd_14 NC1* NC2* NO2* NH2* gd_23 NC1* NC2* NC3* NC4* gd_34 NC1* NC2* NC3* NO3* gd_17 NO2* NC2* NC3* NC4* gd_17 NO2* NC2* NC3* NO3* gd_18 NC4* NC3* NO3* NH3* gd_23 [ NDPP ] [ atoms ] AP P 0.76000 0 AO1P OM -0.63500 0 AO2P OM -0.63500 0 AO5* OA -0.36000 0 O3P OA -0.26000 1 NP P 0.76000 1 NO1P OM -0.63500 1 NO2P OM -0.63500 1 NO5* OA -0.36000 1 AC5* CH2 0.00000 2 AC4* CH1 0.16000 3 AO4* OA -0.36000 3 AC1* CH1 0.20000 3 AN9 NR -0.20000 4 AC4 C 0.20000 4 AN3 NR -0.36000 5 AC2 CR1 0.36000 5 AN1 NR -0.36000 6 AC6 C 0.36000 6 AN6 NT -0.83000 7 AH61 H 0.41500 7 AH62 H 0.41500 7 AC5 C 0.00000 8 AN7 NR -0.36000 8 AC8 CR1 0.36000 8 AC2* CH1 0.15000 9 AO2* OA -0.36000 9 AP2* P 0.63000 9 AO6* OM -0.63500 9 AO7* OM -0.63500 9 AO8* OA -0.54800 9 AH8* H 0.39800 9 AC3* CH1 0.15000 10 AO3* OA -0.54800 10 AH3* H 0.39800 10 NC5* CH2 0.00000 11 NC4* CH1 0.16000 12 NO4* OA -0.36000 12 NC1* CH1 0.20000 12 NN1 NR 0.10000 13 NC6 CR1 0.30000 13 NC2 CR1 0.25000 13 NC3 C 0.00000 13 NC4 CR1 0.25000 13 NC5 CR1 0.10000 13 NC7 C 0.38000 14 NO7 O -0.38000 14 NN7 NT -0.83000 15 NH71 H 0.41500 15 NH72 H 0.41500 15 NC2* CH1 0.15000 16 NO2* OA -0.54800 16 NH2* H 0.39800 16 NC3* CH1 0.15000 17 NO3* OA -0.54800 17 NH3* H 0.39800 17 [ bonds ] AP AO1P gb_24 AP AO2P gb_24 AP AO5* gb_28 AP O3P gb_28 AO5* AC5* gb_20 O3P NP gb_28 NP NO1P gb_24 NP NO2P gb_24 NP NO5* gb_28 NO5* NC5* gb_20 AC5* AC4* gb_26 AC4* AO4* gb_20 AC4* AC3* gb_26 AO4* AC1* gb_20 AC1* AN9 gb_22 AC1* AC2* gb_26 AN9 AC4 gb_10 AN9 AC8 gb_10 AC4 AN3 gb_12 AC4 AC5 gb_16 AN3 AC2 gb_7 AC2 AN1 gb_7 AN1 AC6 gb_12 AC6 AN6 gb_9 AC6 AC5 gb_16 AN6 AH61 gb_2 AN6 AH62 gb_2 AC5 AN7 gb_10 AN7 AC8 gb_10 AC2* AO2* gb_20 AC2* AC3* gb_26 AO2* AP2* gb_28 AP2* AO6* gb_24 AP2* AO7* gb_24 AP2* AO8* gb_28 AO8* AH8* gb_1 AC3* AO3* gb_20 AO3* AH3* gb_1 NC5* NC4* gb_26 NC4* NO4* gb_20 NC4* NC3* gb_26 NO4* NC1* gb_20 NC1* NN1 gb_23 NC1* NC2* gb_26 NN1 NC6 gb_17 NN1 NC2 gb_17 NC6 NC5 gb_16 NC2 NC3 gb_16 NC3 NC4 gb_16 NC3 NC7 gb_27 NC4 NC5 gb_16 NC7 NO7 gb_5 NC7 NN7 gb_9 NN7 NH71 gb_2 NN7 NH72 gb_2 NC2* NO2* gb_20 NC2* NC3* gb_26 NO2* NH2* gb_1 NC3* NO3* gb_20 NO3* NH3* gb_1 [ exclusions ] ; ai aj AC1* AN3 AC1* AC5 AC1* AN7 AN9 AC2 AN9 AC6 AC4 AN1 AC4 AN6 AN3 AC6 AN3 AN7 AN3 AC8 AC2 AN6 AC2 AC5 AN1 AN7 AC6 AC8 AN6 AN7 AO2* AH8* AO6* AH8* AO7* AH8* NC1* NC3 NC1* NC5 NN1 NC4 NN1 NC7 NC6 NC3 NC2 NC5 NC5 NC7 [ angles ] ; ai aj ak gromos type AO1P AP AO2P ga_29 AO1P AP AO5* ga_14 AO1P AP O3P ga_14 AO2P AP AO5* ga_14 AO2P AP O3P ga_14 AO5* AP O3P ga_5 AP AO5* AC5* ga_26 AP O3P NP ga_26 O3P NP NO1P ga_14 O3P NP NO2P ga_14 O3P NP NO5* ga_5 NO1P NP NO2P ga_29 NO1P NP NO5* ga_14 NO2P NP NO5* ga_14 NP NO5* NC5* ga_26 AO5* AC5* AC4* ga_9 AC5* AC4* AO4* ga_9 AC5* AC4* AC3* ga_8 AO4* AC4* AC3* ga_9 AC4* AO4* AC1* ga_10 AO4* AC1* AN9 ga_9 AO4* AC1* AC2* ga_9 AN9 AC1* AC2* ga_9 AC1* AN9 AC4 ga_37 AC1* AN9 AC8 ga_37 AC4 AN9 AC8 ga_7 AN9 AC4 AN3 ga_39 AN9 AC4 AC5 ga_7 AN3 AC4 AC5 ga_27 AC4 AN3 AC2 ga_27 AN3 AC2 AN1 ga_27 AC2 AN1 AC6 ga_27 AN1 AC6 AN6 ga_27 AN1 AC6 AC5 ga_27 AN6 AC6 AC5 ga_27 AC6 AN6 AH61 ga_23 AC6 AN6 AH62 ga_23 AH61 AN6 AH62 ga_24 AC4 AC5 AC6 ga_27 AC4 AC5 AN7 ga_7 AC6 AC5 AN7 ga_39 AC5 AN7 AC8 ga_7 AN9 AC8 AN7 ga_7 AC1* AC2* AO2* ga_9 AC1* AC2* AC3* ga_8 AO2* AC2* AC3* ga_9 AC2* AO2* AP2* ga_26 AO2* AP2* AO6* ga_14 AO2* AP2* AO7* ga_14 AO2* AP2* AO8* ga_5 AO6* AP2* AO7* ga_29 AO6* AP2* AO8* ga_14 AO7* AP2* AO8* ga_14 AP2* AO8* AH8* ga_12 AC4* AC3* AC2* ga_8 AC4* AC3* AO3* ga_9 AC2* AC3* AO3* ga_9 AC3* AO3* AH3* ga_12 NO5* NC5* NC4* ga_9 NC5* NC4* NO4* ga_9 NC5* NC4* NC3* ga_8 NO4* NC4* NC3* ga_9 NC4* NO4* NC1* ga_10 NO4* NC1* NN1 ga_9 NO4* NC1* NC2* ga_9 NN1 NC1* NC2* ga_8 NC1* NN1 NC6 ga_27 NC1* NN1 NC2 ga_27 NC6 NN1 NC2 ga_27 NN1 NC6 NC5 ga_27 NN1 NC2 NC3 ga_27 NC2 NC3 NC4 ga_27 NC2 NC3 NC7 ga_27 NC4 NC3 NC7 ga_27 NC3 NC4 NC5 ga_27 NC6 NC5 NC4 ga_27 NC3 NC7 NO7 ga_30 NC3 NC7 NN7 ga_19 NO7 NC7 NN7 ga_33 NC7 NN7 NH71 ga_23 NC7 NN7 NH72 ga_23 NH71 NN7 NH72 ga_24 NC1* NC2* NO2* ga_9 NC1* NC2* NC3* ga_8 NO2* NC2* NC3* ga_9 NC2* NO2* NH2* ga_12 NC4* NC3* NC2* ga_8 NC4* NC3* NO3* ga_9 NC2* NC3* NO3* ga_9 NC3* NO3* NH3* ga_12 [ impropers ] ; ai aj ak al gromos type AC1* AC4 AC8 AN9 gi_1 AN9 AC4 AC5 AN7 gi_1 AC4 AN9 AN3 AC5 gi_1 AC4 AN9 AC8 AN7 gi_1 AC4 AN3 AC2 AN1 gi_1 AC4 AC5 AN7 AC8 gi_1 AN3 AC4 AC5 AC6 gi_1 AN3 AC2 AN1 AC6 gi_1 AC2 AN1 AC6 AC5 gi_1 AN1 AC6 AC5 AC4 gi_1 AN6 AN1 AC5 AC6 gi_1 AN6 AH61 AH62 AC6 gi_1 AC5 AC4 AN3 AC2 gi_1 AC5 AC6 AN7 AC4 gi_1 AC5 AN7 AC8 AN9 gi_1 AC8 AN9 AC4 AC5 gi_1 AC2* AO4* AN9 AC1* gi_2 AC2* AO2* AC3* AC1* gi_2 AC3* AC5* AO4* AC4* gi_2 AC3* AC2* AO3* AC4* gi_2 NN1 NC6 NC2 NC1* gi_1 NN1 NC6 NC5 NC4 gi_1 NN1 NC2 NC3 NC4 gi_1 NC6 NN1 NC2 NC3 gi_1 NC2 NN1 NC6 NC5 gi_1 NC2 NC3 NC4 NC5 gi_1 NC3 NC4 NC5 NC6 gi_1 NC7 NC2 NC4 NC3 gi_1 NC7 NO7 NN7 NC3 gi_1 NN7 NH71 NH72 NC7 gi_1 NC2* NO4* NN1 NC1* gi_2 NC2* NO2* NC3* NC1* gi_2 NC3* NC5* NO4* NC4* gi_2 NC3* NC2* NO3* NC4* gi_2 [ dihedrals ] ; ai aj ak al gromos type O3P AP AO5* AC5* gd_19 O3P AP AO5* AC5* gd_22 AO5* AP O3P NP gd_19 AO5* AP O3P NP gd_22 AP AO5* AC5* AC4* gd_29 AP O3P NP NO5* gd_19 AP O3P NP NO5* gd_22 O3P NP NO5* NC5* gd_19 O3P NP NO5* NC5* gd_22 NP NO5* NC5* NC4* gd_29 AO5* AC5* AC4* AO4* gd_18 AO5* AC5* AC4* AC3* gd_17 AO5* AC5* AC4* AC3* gd_34 AC3* AC4* AO4* AC1* gd_29 AC5* AC4* AC3* AC2* gd_34 AC5* AC4* AC3* AO3* gd_17 AO4* AC4* AC3* AC2* gd_17 AO4* AC4* AC3* AO3* gd_18 AC4* AO4* AC1* AC2* gd_29 AO4* AC1* AN9 AC4 gd_16 AO4* AC1* AC2* AO2* gd_18 AO4* AC1* AC2* AC3* gd_17 AO4* AC1* AC2* AC3* gd_34 AN9 AC1* AC2* AO2* gd_17 AC5 AC6 AN6 AH61 gd_14 AC1* AC2* AO2* AP2* gd_23 AC1* AC2* AC3* AC4* gd_34 AC1* AC2* AC3* AO3* gd_17 AO2* AC2* AC3* AC4* gd_17 AO2* AC2* AC3* AO3* gd_18 AC2* AO2* AP2* AO8* gd_19 AC2* AO2* AP2* AO8* gd_22 AO2* AP2* AO8* AH8* gd_19 AO2* AP2* AO8* AH8* gd_22 AC4* AC3* AO3* AH3* gd_23 NO5* NC5* NC4* NO4* gd_18 NO5* NC5* NC4* NC3* gd_17 NO5* NC5* NC4* NC3* gd_34 NC3* NC4* NO4* NC1* gd_29 NC5* NC4* NC3* NC2* gd_34 NC5* NC4* NC3* NO3* gd_17 NO4* NC4* NC3* NC2* gd_17 NO4* NC4* NC3* NO3* gd_18 NC4* NO4* NC1* NC2* gd_29 NO4* NC1* NN1 NC2 gd_16 NO4* NC1* NC2* NO2* gd_18 NO4* NC1* NC2* NC3* gd_17 NO4* NC1* NC2* NC3* gd_34 NN1 NC1* NC2* NO2* gd_17 NC2 NC3 NC7 NN7 gd_10 NC3 NC7 NN7 NH71 gd_14 NC1* NC2* NO2* NH2* gd_23 NC1* NC2* NC3* NC4* gd_34 NC1* NC2* NC3* NO3* gd_17 NO2* NC2* NC3* NC4* gd_17 NO2* NC2* NC3* NO3* gd_18 NC4* NC3* NO3* NH3* gd_23 [ NDPHN ] [ atoms ] AP P 1.02000 0 AO1P OA -0.54800 0 AH1P H 0.39800 0 AO2P O -0.38000 0 AO5* OA -0.36000 0 O3P OA -0.26000 1 NP P 1.02000 1 NO1P OA -0.54800 1 NH1P H 0.39800 1 NO2P O -0.38000 1 NO5* OA -0.36000 1 AC5* CH2 0.00000 2 AC4* CH1 0.16000 3 AO4* OA -0.36000 3 AC1* CH1 0.20000 3 AN9 NR -0.20000 4 AC4 C 0.20000 4 AN3 NR -0.36000 5 AC2 CR1 0.36000 5 AN1 NR -0.36000 6 AC6 C 0.36000 6 AN6 NT -0.83000 7 AH61 H 0.41500 7 AH62 H 0.41500 7 AC5 C 0.00000 8 AN7 NR -0.36000 8 AC8 CR1 0.36000 8 AC2* CH1 0.15000 9 AO2* OA -0.36000 9 AP2* P 0.89000 9 AO6* O -0.38000 9 AO7* OA -0.54800 9 AH7* H 0.39800 9 AO8* OA -0.54800 9 AH8* H 0.39800 9 AC3* CH1 0.15000 10 AO3* OA -0.54800 10 AH3* H 0.39800 10 NC5* CH2 0.00000 11 NC4* CH1 0.16000 12 NO4* OA -0.36000 12 NC1* CH1 0.20000 12 NN1 NR -0.20000 13 NC6 CR1 0.20000 13 NC2 CR1 0.00000 13 NC3 C 0.00000 13 NC4 CH2 0.00000 13 NC5 CR1 0.00000 13 NC7 C 0.38000 14 NO7 O -0.38000 14 NN7 NT -0.83000 15 NH71 H 0.41500 15 NH72 H 0.41500 15 NC2* CH1 0.15000 16 NO2* OA -0.54800 16 NH2* H 0.39800 16 NC3* CH1 0.15000 17 NO3* OA -0.54800 17 NH3* H 0.39800 17 [ bonds ] AP AO1P gb_28 AP AO2P gb_24 AP AO5* gb_28 AP O3P gb_28 AO1P AH1P gb_1 AO5* AC5* gb_20 O3P NP gb_28 NP NO1P gb_28 NP NO2P gb_24 NP NO5* gb_28 NO1P NH1P gb_1 NO5* NC5* gb_20 AC5* AC4* gb_26 AC4* AO4* gb_20 AC4* AC3* gb_26 AO4* AC1* gb_20 AC1* AN9 gb_22 AC1* AC2* gb_26 AN9 AC4 gb_10 AN9 AC8 gb_10 AC4 AN3 gb_12 AC4 AC5 gb_16 AN3 AC2 gb_7 AC2 AN1 gb_7 AN1 AC6 gb_12 AC6 AN6 gb_9 AC6 AC5 gb_16 AN6 AH61 gb_2 AN6 AH62 gb_2 AC5 AN7 gb_10 AN7 AC8 gb_10 AC2* AO2* gb_20 AC2* AC3* gb_26 AO2* AP2* gb_28 AP2* AO6* gb_24 AP2* AO7* gb_28 AP2* AO8* gb_28 AO7* AH7* gb_1 AO8* AH8* gb_1 AC3* AO3* gb_20 AO3* AH3* gb_1 NC5* NC4* gb_26 NC4* NO4* gb_20 NC4* NC3* gb_26 NO4* NC1* gb_20 NC1* NN1 gb_23 NC1* NC2* gb_26 NN1 NC6 gb_17 NN1 NC2 gb_17 NC6 NC5 gb_16 NC2 NC3 gb_16 NC3 NC4 gb_15 NC3 NC7 gb_27 NC4 NC5 gb_15 NC7 NO7 gb_5 NC7 NN7 gb_9 NN7 NH71 gb_2 NN7 NH72 gb_2 NC2* NO2* gb_20 NC2* NC3* gb_26 NO2* NH2* gb_1 NC3* NO3* gb_20 NO3* NH3* gb_1 [ exclusions ] ; ai aj AH1P AO2P AH1P AO5* AH1P O3P O3P NH1P NH1P NO2P NH1P NO5* AC1* AN3 AC1* AC5 AC1* AN7 AN9 AC2 AN9 AC6 AC4 AN1 AC4 AN6 AN3 AC6 AN3 AN7 AN3 AC8 AC2 AN6 AC2 AC5 AN1 AN7 AC6 AC8 AN6 AN7 AO2* AH7* AO2* AH8* AO6* AH7* AO6* AH8* AO7* AH8* AH7* AO8* AH7* AH8* NC1* NC3 NC1* NC5 NN1 NC4 NN1 NC7 NC6 NC3 NC2 NC5 NC5 NC7 [ angles ] ; ai aj ak gromos type AO1P AP AO2P ga_14 AO1P AP AO5* ga_14 AO1P AP O3P ga_14 AO2P AP AO5* ga_14 AO2P AP O3P ga_14 AO5* AP O3P ga_14 AP AO1P AH1P ga_12 AP AO5* AC5* ga_26 AP O3P NP ga_26 O3P NP NO1P ga_14 O3P NP NO2P ga_14 O3P NP NO5* ga_14 NO1P NP NO2P ga_14 NO1P NP NO5* ga_14 NO2P NP NO5* ga_14 NP NO1P NH1P ga_12 NP NO5* NC5* ga_26 AO5* AC5* AC4* ga_9 AC5* AC4* AO4* ga_9 AC5* AC4* AC3* ga_8 AO4* AC4* AC3* ga_9 AC4* AO4* AC1* ga_10 AO4* AC1* AN9 ga_9 AO4* AC1* AC2* ga_9 AN9 AC1* AC2* ga_9 AC1* AN9 AC4 ga_37 AC1* AN9 AC8 ga_37 AC4 AN9 AC8 ga_7 AN9 AC4 AN3 ga_39 AN9 AC4 AC5 ga_7 AN3 AC4 AC5 ga_27 AC4 AN3 AC2 ga_27 AN3 AC2 AN1 ga_27 AC2 AN1 AC6 ga_27 AN1 AC6 AN6 ga_27 AN1 AC6 AC5 ga_27 AN6 AC6 AC5 ga_27 AC6 AN6 AH61 ga_23 AC6 AN6 AH62 ga_23 AH61 AN6 AH62 ga_24 AC4 AC5 AC6 ga_27 AC4 AC5 AN7 ga_7 AC6 AC5 AN7 ga_39 AC5 AN7 AC8 ga_7 AN9 AC8 AN7 ga_7 AC1* AC2* AO2* ga_9 AC1* AC2* AC3* ga_8 AO2* AC2* AC3* ga_9 AC2* AO2* AP2* ga_26 AO2* AP2* AO6* ga_14 AO2* AP2* AO7* ga_14 AO2* AP2* AO8* ga_14 AO6* AP2* AO7* ga_14 AO6* AP2* AO8* ga_14 AO7* AP2* AO8* ga_14 AP2* AO7* AH7* ga_12 AP2* AO8* AH8* ga_12 AC4* AC3* AC2* ga_8 AC4* AC3* AO3* ga_9 AC2* AC3* AO3* ga_9 AC3* AO3* AH3* ga_12 NO5* NC5* NC4* ga_9 NC5* NC4* NO4* ga_9 NC5* NC4* NC3* ga_8 NO4* NC4* NC3* ga_9 NC4* NO4* NC1* ga_10 NO4* NC1* NN1 ga_9 NO4* NC1* NC2* ga_9 NN1 NC1* NC2* ga_8 NC1* NN1 NC6 ga_27 NC1* NN1 NC2 ga_27 NC6 NN1 NC2 ga_27 NN1 NC6 NC5 ga_27 NN1 NC2 NC3 ga_27 NC2 NC3 NC4 ga_27 NC2 NC3 NC7 ga_27 NC4 NC3 NC7 ga_27 NC3 NC4 NC5 ga_27 NC6 NC5 NC4 ga_27 NC3 NC7 NO7 ga_30 NC3 NC7 NN7 ga_19 NO7 NC7 NN7 ga_33 NC7 NN7 NH71 ga_23 NC7 NN7 NH72 ga_23 NH71 NN7 NH72 ga_24 NC1* NC2* NO2* ga_9 NC1* NC2* NC3* ga_8 NO2* NC2* NC3* ga_9 NC2* NO2* NH2* ga_12 NC4* NC3* NC2* ga_8 NC4* NC3* NO3* ga_9 NC2* NC3* NO3* ga_9 NC3* NO3* NH3* ga_12 [ impropers ] ; ai aj ak al gromos type AC1* AC4 AC8 AN9 gi_1 AN9 AC4 AC5 AN7 gi_1 AC4 AN9 AN3 AC5 gi_1 AC4 AN9 AC8 AN7 gi_1 AC4 AN3 AC2 AN1 gi_1 AC4 AC5 AN7 AC8 gi_1 AN3 AC4 AC5 AC6 gi_1 AN3 AC2 AN1 AC6 gi_1 AC2 AN1 AC6 AC5 gi_1 AN1 AC6 AC5 AC4 gi_1 AN6 AN1 AC5 AC6 gi_1 AN6 AH61 AH62 AC6 gi_1 AC5 AC4 AN3 AC2 gi_1 AC5 AC6 AN7 AC4 gi_1 AC5 AN7 AC8 AN9 gi_1 AC8 AN9 AC4 AC5 gi_1 AC2* AO4* AN9 AC1* gi_2 AC2* AO2* AC3* AC1* gi_2 AC3* AC5* AO4* AC4* gi_2 AC3* AC2* AO3* AC4* gi_2 NN1 NC6 NC2 NC1* gi_1 NN1 NC6 NC5 NC4 gi_1 NN1 NC2 NC3 NC4 gi_1 NC6 NN1 NC2 NC3 gi_1 NC2 NN1 NC6 NC5 gi_1 NC2 NC3 NC4 NC5 gi_1 NC3 NC4 NC5 NC6 gi_1 NC7 NC2 NC4 NC3 gi_1 NC7 NO7 NN7 NC3 gi_1 NN7 NH71 NH72 NC7 gi_1 NC2* NO4* NN1 NC1* gi_2 NC2* NO2* NC3* NC1* gi_2 NC3* NC5* NO4* NC4* gi_2 NC3* NC2* NO3* NC4* gi_2 [ dihedrals ] ; ai aj ak al gromos type AO5* AP AO1P AH1P gd_19 AO5* AP AO1P AH1P gd_22 O3P AP AO5* AC5* gd_19 O3P AP AO5* AC5* gd_22 AO5* AP O3P NP gd_19 AO5* AP O3P NP gd_22 AP AO5* AC5* AC4* gd_29 AP O3P NP NO5* gd_19 AP O3P NP NO5* gd_22 NO5* NP NO1P NH1P gd_19 NO5* NP NO1P NH1P gd_22 O3P NP NO5* NC5* gd_19 O3P NP NO5* NC5* gd_22 NP NO5* NC5* NC4* gd_29 AO5* AC5* AC4* AO4* gd_18 AO5* AC5* AC4* AC3* gd_17 AO5* AC5* AC4* AC3* gd_34 AC3* AC4* AO4* AC1* gd_29 AC5* AC4* AC3* AC2* gd_34 AC5* AC4* AC3* AO3* gd_17 AO4* AC4* AC3* AC2* gd_17 AO4* AC4* AC3* AO3* gd_18 AC4* AO4* AC1* AC2* gd_29 AO4* AC1* AN9 AC4 gd_16 AO4* AC1* AC2* AO2* gd_18 AO4* AC1* AC2* AC3* gd_17 AO4* AC1* AC2* AC3* gd_34 AN9 AC1* AC2* AO2* gd_17 AC5 AC6 AN6 AH61 gd_14 AC1* AC2* AO2* AP2* gd_23 AC1* AC2* AC3* AC4* gd_34 AC1* AC2* AC3* AO3* gd_17 AO2* AC2* AC3* AC4* gd_17 AO2* AC2* AC3* AO3* gd_18 AC2* AO2* AP2* AO8* gd_19 AC2* AO2* AP2* AO8* gd_22 AO2* AP2* AO7* AH7* gd_19 AO2* AP2* AO7* AH7* gd_22 AO2* AP2* AO8* AH8* gd_19 AO2* AP2* AO8* AH8* gd_22 AC4* AC3* AO3* AH3* gd_23 NO5* NC5* NC4* NO4* gd_18 NO5* NC5* NC4* NC3* gd_17 NO5* NC5* NC4* NC3* gd_34 NC3* NC4* NO4* NC1* gd_29 NC5* NC4* NC3* NC2* gd_34 NC5* NC4* NC3* NO3* gd_17 NO4* NC4* NC3* NC2* gd_17 NO4* NC4* NC3* NO3* gd_18 NC4* NO4* NC1* NC2* gd_29 NO4* NC1* NN1 NC2 gd_16 NO4* NC1* NC2* NO2* gd_18 NO4* NC1* NC2* NC3* gd_17 NO4* NC1* NC2* NC3* gd_34 NN1 NC1* NC2* NO2* gd_17 NC2 NC3 NC7 NN7 gd_10 NC3 NC7 NN7 NH71 gd_14 NC1* NC2* NO2* NH2* gd_23 NC1* NC2* NC3* NC4* gd_34 NC1* NC2* NC3* NO3* gd_17 NO2* NC2* NC3* NC4* gd_17 NO2* NC2* NC3* NO3* gd_18 NC4* NC3* NO3* NH3* gd_23 [ GLCA ] [ atoms ] C4 CH1 0.23200 0 C3 CH1 0.23200 1 O3 OA -0.64200 1 HO3 H 0.41000 1 C2 CH1 0.23200 2 O2 OA -0.64200 2 HO2 H 0.41000 2 C6 CH2 0.23200 3 O6 OA -0.64200 3 HO6 H 0.41000 3 C5 CH1 0.37600 4 O5 OA -0.48000 4 C1 CH1 0.232 4 O1 OA -0.360 4 [ bonds ] C4 C3 gb_26 C4 C5 gb_26 C3 O3 gb_20 C3 C2 gb_26 O3 HO3 gb_1 C2 O2 gb_20 C2 C1 gb_26 O2 HO2 gb_1 C6 O6 gb_20 C6 C5 gb_26 O6 HO6 gb_1 C5 O5 gb_20 O5 C1 gb_20 C1 O1 gb_20 O1 +C4 gb_20 [ angles ] ; ai aj ak gromos type -C1 -O1 C4 ga_10 -O1 C4 C3 ga_9 -O1 C4 C5 ga_9 C3 C4 C5 ga_8 C4 C3 O3 ga_9 C4 C3 C2 ga_8 O3 C3 C2 ga_9 C3 O3 HO3 ga_12 C3 C2 O2 ga_9 C3 C2 C1 ga_8 O2 C2 C1 ga_9 C2 O2 HO2 ga_12 O6 C6 C5 ga_9 C6 O6 HO6 ga_12 C4 C5 C6 ga_8 C4 C5 O5 ga_9 C6 C5 O5 ga_9 C5 O5 C1 ga_10 C2 C1 O5 ga_9 C2 C1 O1 ga_9 O5 C1 O1 ga_9 C1 O1 +C4 ga_10 [ impropers ] ; ai aj ak al gromos type C4 C6 O5 C5 gi_2 C3 O3 C2 C4 gi_2 C5 -O1 C3 C4 gi_2 C1 C3 O2 C2 gi_2 C1 O5 O1 C2 gi_2 [ dihedrals ] ; ai aj ak al gromos type -C1 -O1 C4 C3 gd_30 -O1 C4 C3 O3 gd_18 -O1 C4 C3 C2 gd_17 C5 C4 C3 O3 gd_17 C5 C4 C3 C2 gd_34 -O1 C4 C5 C6 gd_17 C3 C4 C5 C6 gd_34 C3 C4 C5 O5 gd_17 C2 C3 O3 HO3 gd_30 C4 C3 C2 O2 gd_17 C4 C3 C2 C1 gd_34 O3 C3 C2 O2 gd_18 O3 C3 C2 C1 gd_17 C1 C2 O2 HO2 gd_30 C3 C2 C1 O5 gd_17 C3 C2 C1 O1 gd_17 C3 C2 C1 O1 gd_34 O2 C2 C1 O1 gd_18 C5 C6 O6 HO6 gd_30 O6 C6 C5 O5 gd_5 O6 C6 C5 O5 gd_37 C4 C5 O5 C1 gd_29 C5 O5 C1 C2 gd_29 O5 C1 O1 +C4 gd_6 O5 C1 O1 +C4 gd_28 [ GLCB ] [ atoms ] C4 CH1 0.23200 0 C3 CH1 0.23200 1 O3 OA -0.64200 1 HO3 H 0.41000 1 C2 CH1 0.23200 2 O2 OA -0.64200 2 HO2 H 0.41000 2 C6 CH2 0.23200 3 O6 OA -0.64200 3 HO6 H 0.41000 3 C5 CH1 0.37600 4 O5 OA -0.48000 4 C1 CH1 0.232 4 O1 OA -0.360 4 [ bonds ] C4 C3 gb_26 C4 C5 gb_26 C3 O3 gb_20 C3 C2 gb_26 O3 HO3 gb_1 C2 O2 gb_20 C2 C1 gb_26 O2 HO2 gb_1 C6 O6 gb_20 C6 C5 gb_26 O6 HO6 gb_1 C5 O5 gb_20 O5 C1 gb_20 C1 O1 gb_20 O1 +C4 gb_20 [ angles ] ; ai aj ak gromos type -C1 -O1 C4 ga_10 -O1 C4 C3 ga_9 -O1 C4 C5 ga_9 C3 C4 C5 ga_8 C4 C3 O3 ga_9 C4 C3 C2 ga_8 O3 C3 C2 ga_9 C3 O3 HO3 ga_12 C3 C2 O2 ga_9 C3 C2 C1 ga_8 O2 C2 C1 ga_9 C2 O2 HO2 ga_12 O6 C6 C5 ga_9 C6 O6 HO6 ga_12 C4 C5 C6 ga_8 C4 C5 O5 ga_9 C6 C5 O5 ga_9 C5 O5 C1 ga_10 C2 C1 O5 ga_9 C2 C1 O1 ga_9 O5 C1 O1 ga_9 C1 O1 +C4 ga_10 [ impropers ] ; ai aj ak al gromos type C4 C6 O5 C5 gi_2 C3 O3 C2 C4 gi_2 C2 O5 O1 C1 gi_2 C5 -O1 C3 C4 gi_2 C1 C3 O2 C2 gi_2 [ dihedrals ] ; ai aj ak al gromos type -C1 -O1 C4 C3 gd_30 -O1 C4 C3 O3 gd_18 -O1 C4 C3 C2 gd_17 C5 C4 C3 O3 gd_17 C5 C4 C3 C2 gd_34 -O1 C4 C5 C6 gd_17 C3 C4 C5 C6 gd_34 C3 C4 C5 O5 gd_17 C2 C3 O3 HO3 gd_30 C4 C3 C2 O2 gd_17 C4 C3 C2 C1 gd_34 O3 C3 C2 O2 gd_18 O3 C3 C2 C1 gd_17 C1 C2 O2 HO2 gd_30 C3 C2 C1 O5 gd_17 C3 C2 C1 O1 gd_17 C3 C2 C1 O1 gd_34 O2 C2 C1 O1 gd_18 C5 C6 O6 HO6 gd_30 O6 C6 C5 O5 gd_5 O6 C6 C5 O5 gd_37 C4 C5 O5 C1 gd_29 C5 O5 C1 C2 gd_29 O5 C1 O1 +C4 gd_2 O5 C1 O1 +C4 gd_32 [ GALA ] [ atoms ] C4 CH1 0.23200 0 C3 CH1 0.23200 1 O3 OA -0.64200 1 HO3 H 0.41000 1 C2 CH1 0.23200 2 O2 OA -0.64200 2 HO2 H 0.41000 2 C6 CH2 0.23200 3 O6 OA -0.64200 3 HO6 H 0.41000 3 C5 CH1 0.37600 4 O5 OA -0.48000 4 C1 CH1 0.232 4 O1 OA -0.360 4 [ bonds ] C4 C3 gb_26 C4 C5 gb_26 C3 O3 gb_20 C3 C2 gb_26 O3 HO3 gb_1 C2 O2 gb_20 C2 C1 gb_26 O2 HO2 gb_1 C6 O6 gb_20 C6 C5 gb_26 O6 HO6 gb_1 C5 O5 gb_20 O5 C1 gb_20 C1 O1 gb_20 O1 +C4 gb_20 [ angles ] ; ai aj ak gromos type -C1 -O1 C4 ga_10 -O1 C4 C3 ga_9 -O1 C4 C5 ga_9 C3 C4 C5 ga_8 C4 C3 O3 ga_9 C4 C3 C2 ga_8 O3 C3 C2 ga_9 C3 O3 HO3 ga_12 C3 C2 O2 ga_9 C3 C2 C1 ga_8 O2 C2 C1 ga_9 C2 O2 HO2 ga_12 O6 C6 C5 ga_9 C6 O6 HO6 ga_12 C4 C5 C6 ga_8 C4 C5 O5 ga_9 C6 C5 O5 ga_9 C5 O5 C1 ga_10 C2 C1 O5 ga_9 C2 C1 O1 ga_9 O5 C1 O1 ga_9 C1 O1 +C4 ga_10 [ impropers ] ; ai aj ak al gromos type C4 -O1 C3 C5 gi_2 C4 C6 O5 C5 gi_2 C3 O3 C2 C4 gi_2 C1 C3 O2 C2 gi_2 C1 O5 O1 C2 gi_2 [ dihedrals ] ; ai aj ak al gromos type -C1 -O1 C4 C3 gd_30 -O1 C4 C3 O3 gd_18 -O1 C4 C3 C2 gd_17 C5 C4 C3 O3 gd_17 C5 C4 C3 C2 gd_34 -O1 C4 C5 C6 gd_17 C3 C4 C5 C6 gd_34 C3 C4 C5 O5 gd_17 C2 C3 O3 HO3 gd_30 C4 C3 C2 O2 gd_17 C4 C3 C2 C1 gd_34 O3 C3 C2 O2 gd_18 O3 C3 C2 C1 gd_17 C1 C2 O2 HO2 gd_30 C3 C2 C1 O5 gd_17 C3 C2 C1 O1 gd_17 C3 C2 C1 O1 gd_34 O2 C2 C1 O1 gd_18 C5 C6 O6 HO6 gd_30 O6 C6 C5 C4 gd_1 O6 C6 C5 O5 gd_3 O6 C6 C5 O5 gd_35 C4 C5 O5 C1 gd_29 C5 O5 C1 C2 gd_29 O5 C1 O1 +C4 gd_6 O5 C1 O1 +C4 gd_28 [ GALB ] [ atoms ] C4 CH1 0.23200 0 C3 CH1 0.23200 1 O3 OA -0.64200 1 HO3 H 0.41000 1 C2 CH1 0.23200 2 O2 OA -0.64200 2 HO2 H 0.41000 2 C6 CH2 0.23200 3 O6 OA -0.64200 3 HO6 H 0.41000 3 C5 CH1 0.37600 4 O5 OA -0.48000 4 C1 CH1 0.232 4 O1 OA -0.360 4 [ bonds ] C4 C3 gb_26 C4 C5 gb_26 C3 O3 gb_20 C3 C2 gb_26 O3 HO3 gb_1 C2 O2 gb_20 C2 C1 gb_26 O2 HO2 gb_1 C6 O6 gb_20 C6 C5 gb_26 O6 HO6 gb_1 C5 O5 gb_20 O5 C1 gb_20 C1 O1 gb_20 O1 +C4 gb_20 [ angles ] ; ai aj ak gromos type -C1 -O1 C4 ga_10 -O1 C4 C3 ga_9 -O1 C4 C5 ga_9 C3 C4 C5 ga_8 C4 C3 O3 ga_9 C4 C3 C2 ga_8 O3 C3 C2 ga_9 C3 O3 HO3 ga_12 C3 C2 O2 ga_9 C3 C2 C1 ga_8 O2 C2 C1 ga_9 C2 O2 HO2 ga_12 O6 C6 C5 ga_9 C6 O6 HO6 ga_12 C4 C5 C6 ga_8 C4 C5 O5 ga_9 C6 C5 O5 ga_9 C5 O5 C1 ga_10 C2 C1 O5 ga_9 C2 C1 O1 ga_9 O5 C1 O1 ga_9 C1 O1 +C4 ga_10 [ impropers ] ; ai aj ak al gromos type C4 -O1 C3 C5 gi_2 C4 C6 O5 C5 gi_2 C3 O3 C2 C4 gi_2 C2 O5 O1 C1 gi_2 C1 C3 O2 C2 gi_2 [ dihedrals ] ; ai aj ak al gromos type -C1 -O1 C4 C3 gd_30 -O1 C4 C3 O3 gd_18 -O1 C4 C3 C2 gd_17 C5 C4 C3 O3 gd_17 C5 C4 C3 C2 gd_34 -O1 C4 C5 C6 gd_17 C3 C4 C5 C6 gd_34 C3 C4 C5 O5 gd_17 C2 C3 O3 HO3 gd_30 C4 C3 C2 O2 gd_17 C4 C3 C2 C1 gd_34 O3 C3 C2 O2 gd_18 O3 C3 C2 C1 gd_17 C1 C2 O2 HO2 gd_30 C3 C2 C1 O5 gd_17 C3 C2 C1 O1 gd_17 C3 C2 C1 O1 gd_34 O2 C2 C1 O1 gd_18 C5 C6 O6 HO6 gd_30 O6 C6 C5 C4 gd_1 O6 C6 C5 O5 gd_3 O6 C6 C5 O5 gd_35 C4 C5 O5 C1 gd_29 C5 O5 C1 C2 gd_29 O5 C1 O1 +C4 gd_2 O5 C1 O1 +C4 gd_32 [ MANA ] [ atoms ] C4 CH1 0.23200 0 C3 CH1 0.23200 1 O3 OA -0.64200 1 HO3 H 0.41000 1 C2 CH1 0.23200 2 O2 OA -0.64200 2 HO2 H 0.41000 2 C6 CH2 0.23200 3 O6 OA -0.64200 3 HO6 H 0.41000 3 C5 CH1 0.37600 4 O5 OA -0.48000 4 C1 CH1 0.232 4 O1 OA -0.360 4 [ bonds ] C4 C3 gb_26 C4 C5 gb_26 C3 O3 gb_20 C3 C2 gb_26 O3 HO3 gb_1 C2 O2 gb_20 C2 C1 gb_26 O2 HO2 gb_1 C6 O6 gb_20 C6 C5 gb_26 O6 HO6 gb_1 C5 O5 gb_20 O5 C1 gb_20 C1 O1 gb_20 O1 +C4 gb_20 [ angles ] ; ai aj ak gromos type -C1 -O1 C4 ga_10 -O1 C4 C3 ga_9 -O1 C4 C5 ga_9 C3 C4 C5 ga_8 C4 C3 O3 ga_9 C4 C3 C2 ga_8 O3 C3 C2 ga_9 C3 O3 HO3 ga_12 C3 C2 O2 ga_9 C3 C2 C1 ga_8 O2 C2 C1 ga_9 C2 O2 HO2 ga_12 O6 C6 C5 ga_9 C6 O6 HO6 ga_12 C4 C5 C6 ga_8 C4 C5 O5 ga_9 C6 C5 O5 ga_9 C5 O5 C1 ga_10 C2 C1 O5 ga_9 C2 C1 O1 ga_9 O5 C1 O1 ga_9 C1 O1 +C4 ga_10 [ impropers ] ; ai aj ak al gromos type C4 C6 O5 C5 gi_2 C3 O3 C2 C4 gi_2 C2 C3 O2 C1 gi_2 C5 -O1 C3 C4 gi_2 C1 O5 O1 C2 gi_2 [ dihedrals ] ; ai aj ak al gromos type -C1 -O1 C4 C3 gd_30 -O1 C4 C3 O3 gd_18 -O1 C4 C3 C2 gd_17 C5 C4 C3 O3 gd_17 C5 C4 C3 C2 gd_34 -O1 C4 C5 C6 gd_17 C3 C4 C5 C6 gd_34 C3 C4 C5 O5 gd_17 C2 C3 O3 HO3 gd_30 C4 C3 C2 O2 gd_17 C4 C3 C2 C1 gd_34 O3 C3 C2 O2 gd_18 O3 C3 C2 C1 gd_17 C1 C2 O2 HO2 gd_30 C3 C2 C1 O5 gd_17 C3 C2 C1 O1 gd_17 C3 C2 C1 O1 gd_34 O2 C2 C1 O1 gd_18 C5 C6 O6 HO6 gd_30 O6 C6 C5 O5 gd_5 O6 C6 C5 O5 gd_37 C4 C5 O5 C1 gd_29 C5 O5 C1 C2 gd_29 O5 C1 O1 +C4 gd_6 O5 C1 O1 +C4 gd_28 [ MANB ] [ atoms ] C4 CH1 0.23200 0 C3 CH1 0.23200 1 O3 OA -0.64200 1 HO3 H 0.41000 1 C2 CH1 0.23200 2 O2 OA -0.64200 2 HO2 H 0.41000 2 C6 CH2 0.23200 3 O6 OA -0.64200 3 HO6 H 0.41000 3 C5 CH1 0.37600 4 O5 OA -0.48000 4 C1 CH1 0.232 4 O1 OA -0.360 4 [ bonds ] C4 C3 gb_26 C4 C5 gb_26 C3 O3 gb_20 C3 C2 gb_26 O3 HO3 gb_1 C2 O2 gb_20 C2 C1 gb_26 O2 HO2 gb_1 C6 O6 gb_20 C6 C5 gb_26 O6 HO6 gb_1 C5 O5 gb_20 O5 C1 gb_20 C1 O1 gb_20 O1 +C4 gb_20 [ angles ] ; ai aj ak gromos type -C1 -O1 C4 ga_10 -O1 C4 C3 ga_9 -O1 C4 C5 ga_9 C3 C4 C5 ga_8 C4 C3 O3 ga_9 C4 C3 C2 ga_8 O3 C3 C2 ga_9 C3 O3 HO3 ga_12 C3 C2 O2 ga_9 C3 C2 C1 ga_8 O2 C2 C1 ga_9 C2 O2 HO2 ga_12 O6 C6 C5 ga_9 C6 O6 HO6 ga_12 C4 C5 C6 ga_8 C4 C5 O5 ga_9 C6 C5 O5 ga_9 C5 O5 C1 ga_10 C2 C1 O5 ga_9 C2 C1 O1 ga_9 O5 C1 O1 ga_9 C1 O1 +C4 ga_10 [ impropers ] ; ai aj ak al gromos type C4 C6 O5 C5 gi_2 C3 O3 C2 C4 gi_2 C2 C3 O2 C1 gi_2 C2 O5 O1 C1 gi_2 C5 -O1 C3 C4 gi_2 [ dihedrals ] ; ai aj ak al gromos type -C1 -O1 C4 C3 gd_30 -O1 C4 C3 O3 gd_18 -O1 C4 C3 C2 gd_17 C5 C4 C3 O3 gd_17 C5 C4 C3 C2 gd_34 -O1 C4 C5 C6 gd_17 C3 C4 C5 C6 gd_34 C3 C4 C5 O5 gd_17 C2 C3 O3 HO3 gd_30 C4 C3 C2 O2 gd_17 C4 C3 C2 C1 gd_34 O3 C3 C2 O2 gd_18 O3 C3 C2 C1 gd_17 C1 C2 O2 HO2 gd_30 C3 C2 C1 O5 gd_17 C3 C2 C1 O1 gd_17 C3 C2 C1 O1 gd_34 O2 C2 C1 O1 gd_18 C5 C6 O6 HO6 gd_30 O6 C6 C5 O5 gd_5 O6 C6 C5 O5 gd_37 C4 C5 O5 C1 gd_29 C5 O5 C1 C2 gd_29 O5 C1 O1 +C4 gd_2 O5 C1 O1 +C4 gd_32 [ TRH ] [ atoms ] HO4 H 0.41000 0 O4 OA -0.64200 0 C4 CH1 0.23200 0 C3 CH1 0.23200 1 O3 OA -0.64200 1 HO3 H 0.41000 1 C2 CH1 0.23200 2 O2 OA -0.64200 2 HO2 H 0.41000 2 C6 CH1 0.23200 3 O6 OA -0.64200 3 HO6 H 0.41000 3 C5 CH1 0.37800 4 O5 OA -0.45000 4 C1 CH1 0.24200 4 O1 OA -0.34000 4 C1' CH1 0.24200 4 O5' OA -0.45000 4 C5' CH1 0.37800 4 C4' CH1 0.27500 5 O4' OA -0.60000 5 HO4' H 0.47000 5 C3' CH1 0.23200 6 O3' OA -0.64200 6 HO3' H 0.41000 6 C2' CH1 0.23200 7 O2' OA -0.64200 7 HO2' H 0.41000 7 C6' CH1 0.23200 8 O6' OA -0.64200 8 HO6' H 0.41000 8 [ bonds ] HO4 O4 gb_1 O4 C4 gb_20 C4 C3 gb_26 C4 C5 gb_26 C3 O3 gb_20 C3 C2 gb_26 O3 HO3 gb_1 C2 O2 gb_20 C2 C1 gb_26 O2 HO2 gb_1 C6 O6 gb_20 C6 C5 gb_26 O6 HO6 gb_1 C5 O5 gb_20 O5 C1 gb_20 C1 O1 gb_20 O1 C1' gb_20 C1' O5' gb_20 C1' C2' gb_26 O5' C5' gb_20 C5' C4' gb_26 C5' C6' gb_26 C4' O4' gb_20 C4' C3' gb_26 O4' HO4' gb_1 C3' O3' gb_20 C3' C2' gb_26 O3' HO3' gb_1 C2' O2' gb_20 O2' HO2' gb_1 C6' O6' gb_20 O6' HO6' gb_1 [ angles ] ; ai aj ak gromos type HO4 O4 C4 ga_12 O4 C4 C3 ga_9 O4 C4 C5 ga_9 C3 C4 C5 ga_8 C4 C3 O3 ga_9 C4 C3 C2 ga_8 O3 C3 C2 ga_9 C3 O3 HO3 ga_12 C3 C2 O2 ga_9 C3 C2 C1 ga_8 O2 C2 C1 ga_9 C2 O2 HO2 ga_12 O6 C6 C5 ga_9 C6 O6 HO6 ga_12 C4 C5 C6 ga_8 C4 C5 O5 ga_9 C6 C5 O5 ga_9 C5 O5 C1 ga_10 C2 C1 O5 ga_9 C2 C1 O1 ga_9 O5 C1 O1 ga_9 C1 O1 C1' ga_10 O1 C1' O5' ga_9 O1 C1' C2' ga_9 O5' C1' C2' ga_9 C1' O5' C5' ga_10 O5' C5' C4' ga_9 O5' C5' C6' ga_9 C4' C5' C6' ga_8 C5' C4' O4' ga_9 C5' C4' C3' ga_8 O4' C4' C3' ga_9 C4' O4' HO4' ga_12 C4' C3' O3' ga_9 C4' C3' C2' ga_8 O3' C3' C2' ga_9 C3' O3' HO3' ga_12 C1' C2' C3' ga_8 C1' C2' O2' ga_9 C3' C2' O2' ga_9 C2' O2' HO2' ga_12 C5' C6' O6' ga_9 C6' O6' HO6' ga_12 [ impropers ] ; ai aj ak al gromos type C4 C6 O5 C5 gi_2 C3 O3 C2 C4 gi_2 C5 O4 C3 C4 gi_2 C1 C3 O2 C2 gi_2 C1 O5 O1 C2 gi_2 C1' C3' O2' C2' gi_2 C5' O5' C6' C4' gi_2 C5' O4' C3' C4' gi_2 C3' O3' C2' C4' gi_2 C2' O1 O5' C1' gi_2 [ dihedrals ] ; ai aj ak al gromos type HO4 O4 C4 C3 gd_30 O4 C4 C3 O3 gd_18 O4 C4 C3 C2 gd_17 C5 C4 C3 O3 gd_17 C5 C4 C3 C2 gd_34 O4 C4 C5 C6 gd_17 C3 C4 C5 C6 gd_34 C3 C4 C5 O5 gd_17 C2 C3 O3 HO3 gd_30 C4 C3 C2 O2 gd_17 C4 C3 C2 C1 gd_34 O3 C3 C2 O2 gd_18 O3 C3 C2 C1 gd_17 C1 C2 O2 HO2 gd_30 C3 C2 C1 O5 gd_17 C3 C2 C1 O1 gd_17 C3 C2 C1 O1 gd_34 O2 C2 C1 O1 gd_18 C5 C6 O6 HO6 gd_30 O6 C6 C5 C5 gd_5 O6 C6 C5 O5 gd_37 C4 C5 O5 C1 gd_29 C2' C5 O3' O3' gd_30 C5 O5 C1 C2 gd_29 O5 C1 O1 C1' gd_6 O5 C1 O1 C1' gd_28 C1 O1 C1' O5' gd_6 C1 O1 C1' O5' gd_28 C2' C1' O5' C5' gd_29 O1 C1' C2' C3' gd_17 O1 C1' C2' C3' gd_34 O1 C1' C2' O2' gd_18 O5' C1' C2' C3' gd_17 C1' O5' C5' C4' gd_29 O5' C5' C4' C3' gd_17 C6' C5' C4' O4' gd_17 C6' C5' C4' C3' gd_34 O5' C5' C6' O6' gd_5 O5' C5' C6' O6' gd_37 C3' C4' O4' HO4' gd_30 C5' C4' C3' O3' gd_17 C5' C4' C3' C2' gd_34 O4' C4' C3' C2' gd_17 C4' O4' C3' O3' gd_18 C4' C3' C2' C1' gd_34 C4' C3' C2' O2' gd_17 O3' C3' C2' C1' gd_17 O3' C3' C2' O2' gd_18 C1' C2' O2' HO2' gd_30 C5' C6' O6' HO6' gd_30 [ UGLB ] [ atoms ] C4 CH1 0.23200 0 C3 CH1 0.23200 1 O3 OA -0.64200 1 HO3 H 0.41000 1 C2 CH1 0.23200 2 O2 OA -0.64200 2 HO2 H 0.41000 2 C6 C 0.36000 3 O61 OM -0.68000 3 O62 OM -0.68000 3 C5 CH1 0.37600 4 O5 OA -0.48000 4 C1 CH1 0.232 4 O1 OA -0.360 4 [ bonds ] C4 C3 gb_26 C4 C5 gb_26 C3 O3 gb_20 C3 C2 gb_26 O3 HO3 gb_1 C2 O2 gb_20 C2 C1 gb_26 O2 HO2 gb_1 C6 O61 gb_6 C6 O62 gb_6 C6 C5 gb_27 C5 O5 gb_20 O5 C1 gb_20 C1 O1 gb_20 O1 +C4 gb_20 [ angles ] ; ai aj ak gromos type -C1 -O1 C4 ga_10 -O1 C4 C3 ga_9 -O1 C4 C5 ga_9 C3 C4 C5 ga_8 C4 C3 O3 ga_9 C4 C3 C2 ga_8 O3 C3 C2 ga_9 C3 O3 HO3 ga_12 C3 C2 O2 ga_9 C3 C2 C1 ga_8 O2 C2 C1 ga_9 C2 O2 HO2 ga_12 O61 C6 O62 ga_38 O61 C6 C5 ga_22 O62 C6 C5 ga_22 C4 C5 C6 ga_8 C4 C5 O5 ga_9 C6 C5 O5 ga_9 C5 O5 C1 ga_10 C2 C1 O5 ga_9 C2 C1 O1 ga_9 O5 C1 O1 ga_9 C1 O1 +C4 ga_10 [ impropers ] ; ai aj ak al gromos type C4 C6 O5 C5 gi_2 C3 O3 C2 C4 gi_2 C2 O5 O1 C1 gi_2 C6 O61 O62 C5 gi_1 C5 -O1 C3 C4 gi_2 C1 C3 O2 C2 gi_2 [ dihedrals ] ; ai aj ak al gromos type -C1 -O1 C4 C3 gd_30 -O1 C4 C3 O3 gd_18 -O1 C4 C3 C2 gd_17 C5 C4 C3 O3 gd_17 C5 C4 C3 C2 gd_34 -O1 C4 C5 C6 gd_17 C3 C4 C5 C6 gd_34 C3 C4 C5 O5 gd_17 C2 C3 O3 HO3 gd_30 C4 C3 C2 O2 gd_17 C4 C3 C2 C1 gd_34 O3 C3 C2 O2 gd_18 O3 C3 C2 C1 gd_17 C1 C2 O2 HO2 gd_30 C3 C2 C1 O5 gd_17 C3 C2 C1 O1 gd_17 C3 C2 C1 O1 gd_34 O2 C2 C1 O1 gd_18 O61 C6 C5 O5 gd_40 C4 C5 O5 C1 gd_29 C5 O5 C1 C2 gd_29 O5 C1 O1 +C4 gd_2 O5 C1 O1 +C4 gd_32 [ UMNB ] [ atoms ] C4 CH1 0.23200 0 C3 CH1 0.23200 1 O3 OA -0.64200 1 HO3 H 0.41000 1 C2 CH1 0.23200 2 O2 OA -0.64200 2 HO2 H 0.41000 2 C6 C 0.36000 3 O61 OM -0.68000 3 O62 OM -0.68000 3 C5 CH1 0.37600 4 O5 OA -0.48000 4 C1 CH1 0.232 4 O1 OA -0.360 4 [ bonds ] C4 C3 gb_26 C4 C5 gb_26 C3 O3 gb_20 C3 C2 gb_26 O3 HO3 gb_1 C2 O2 gb_20 C2 C1 gb_26 O2 HO2 gb_1 C6 O61 gb_6 C6 O62 gb_6 C6 C5 gb_27 C5 O5 gb_20 O5 C1 gb_20 C1 O1 gb_20 O1 +C4 gb_20 [ angles ] ; ai aj ak gromos type -C1 -O1 C4 ga_10 -O1 C4 C3 ga_9 -O1 C4 C5 ga_9 C3 C4 C5 ga_8 C4 C3 O3 ga_9 C4 C3 C2 ga_8 O3 C3 C2 ga_9 C3 O3 HO3 ga_12 C3 C2 O2 ga_9 C3 C2 C1 ga_8 O2 C2 C1 ga_9 C2 O2 HO2 ga_12 O61 C6 O62 ga_38 O61 C6 C5 ga_22 O62 C6 C5 ga_22 C4 C5 C6 ga_8 C4 C5 O5 ga_9 C6 C5 O5 ga_9 C5 O5 C1 ga_10 C2 C1 O5 ga_9 C2 C1 O1 ga_9 O5 C1 O1 ga_9 C1 O1 +C4 ga_10 [ impropers ] ; ai aj ak al gromos type C4 C6 O5 C5 gi_2 C3 O3 C2 C4 gi_2 C2 C3 O2 C1 gi_2 C2 O5 O1 C1 gi_2 C6 O61 O62 C5 gi_1 C5 -O1 C3 C4 gi_2 [ dihedrals ] ; ai aj ak al gromos type -C1 -O1 C4 C3 gd_30 -O1 C4 C3 O3 gd_18 -O1 C4 C3 C2 gd_17 C5 C4 C3 O3 gd_17 C5 C4 C3 C2 gd_34 -O1 C4 C5 C6 gd_17 C3 C4 C5 C6 gd_34 C3 C4 C5 O5 gd_17 C2 C3 O3 HO3 gd_30 C4 C3 C2 O2 gd_17 C4 C3 C2 C1 gd_34 O3 C3 C2 O2 gd_18 O3 C3 C2 C1 gd_17 C1 C2 O2 HO2 gd_30 C3 C2 C1 O5 gd_17 C3 C2 C1 O1 gd_17 C3 C2 C1 O1 gd_34 O2 C2 C1 O1 gd_18 O61 C6 C5 O5 gd_40 C4 C5 O5 C1 gd_29 C5 O5 C1 C2 gd_29 O5 C1 O1 +C4 gd_2 O5 C1 O1 +C4 gd_32 [ UGAA ] [ atoms ] C4 CH1 0.23200 0 C3 CH1 0.23200 1 O3 OA -0.64200 1 HO3 H 0.41000 1 C2 CH1 0.23200 2 O2 OA -0.64200 2 HO2 H 0.41000 2 C6 C 0.36000 3 O61 OM -0.68000 3 O62 OM -0.68000 3 C5 CH1 0.37600 4 O5 OA -0.48000 4 C1 CH1 0.232 4 O1 OA -0.360 4 [ bonds ] C4 C3 gb_26 C4 C5 gb_26 C3 O3 gb_20 C3 C2 gb_26 O3 HO3 gb_1 C2 O2 gb_20 C2 C1 gb_26 O2 HO2 gb_1 C6 O61 gb_6 C6 O62 gb_6 C6 C5 gb_27 C5 O5 gb_20 O5 C1 gb_20 C1 O1 gb_20 O1 +C4 gb_20 [ angles ] ; ai aj ak gromos type -C1 -O1 C4 ga_10 -O1 C4 C3 ga_9 -O1 C4 C5 ga_9 C3 C4 C5 ga_8 C4 C3 O3 ga_9 C4 C3 C2 ga_8 O3 C3 C2 ga_9 C3 O3 HO3 ga_12 C3 C2 O2 ga_9 C3 C2 C1 ga_8 O2 C2 C1 ga_9 C2 O2 HO2 ga_12 O61 C6 O62 ga_38 O61 C6 C5 ga_22 O62 C6 C5 ga_22 C4 C5 C6 ga_8 C4 C5 O5 ga_9 C6 C5 O5 ga_9 C5 O5 C1 ga_10 C2 C1 O5 ga_9 C2 C1 O1 ga_9 O5 C1 O1 ga_9 C1 O1 +C4 ga_10 [ impropers ] ; ai aj ak al gromos type C4 -O1 C3 C5 gi_2 C4 C6 O5 C5 gi_2 C3 O3 C2 C4 gi_2 C6 O61 O62 C5 gi_1 C1 C3 O2 C2 gi_2 C1 O5 O1 C2 gi_2 [ dihedrals ] ; ai aj ak al gromos type -C1 -O1 C4 C3 gd_30 -O1 C4 C3 O3 gd_18 -O1 C4 C3 C2 gd_17 C5 C4 C3 O3 gd_17 C5 C4 C3 C2 gd_34 -O1 C4 C5 C6 gd_17 C3 C4 C5 C6 gd_34 C3 C4 C5 O5 gd_17 C2 C3 O3 HO3 gd_30 C4 C3 C2 O2 gd_17 C4 C3 C2 C1 gd_34 O3 C3 C2 O2 gd_18 O3 C3 C2 C1 gd_17 C1 C2 O2 HO2 gd_30 C3 C2 C1 O5 gd_17 C3 C2 C1 O1 gd_17 C3 C2 C1 O1 gd_34 O2 C2 C1 O1 gd_18 O61 C6 C5 O5 gd_40 C4 C5 O5 C1 gd_29 C5 O5 C1 C2 gd_29 O5 C1 O1 +C4 gd_6 O5 C1 O1 +C4 gd_28 [ UGUA ] [ atoms ] C4 CH1 0.23200 0 C3 CH1 0.23200 1 O3 OA -0.64200 1 HO3 H 0.41000 1 C2 CH1 0.23200 2 O2 OA -0.64200 2 HO2 H 0.41000 2 C6 C 0.36000 3 O61 OM -0.68000 3 O62 OM -0.68000 3 C5 CH1 0.37600 4 O5 OA -0.48000 4 C1 CH1 0.232 4 O1 OA -0.360 4 [ bonds ] C4 C3 gb_26 C4 C5 gb_26 C3 O3 gb_20 C3 C2 gb_26 O3 HO3 gb_1 C2 O2 gb_20 C2 C1 gb_26 O2 HO2 gb_1 C6 O61 gb_6 C6 O62 gb_6 C6 C5 gb_27 C5 O5 gb_20 O5 C1 gb_20 C1 O1 gb_20 O1 +C4 gb_20 [ angles ] ; ai aj ak gromos type -C1 -O1 C4 ga_10 -O1 C4 C3 ga_9 -O1 C4 C5 ga_9 C3 C4 C5 ga_8 C4 C3 O3 ga_9 C4 C3 C2 ga_8 O3 C3 C2 ga_9 C3 O3 HO3 ga_12 C3 C2 O2 ga_9 C3 C2 C1 ga_8 O2 C2 C1 ga_9 C2 O2 HO2 ga_12 O61 C6 O62 ga_38 O61 C6 C5 ga_22 O62 C6 C5 ga_22 C4 C5 C6 ga_8 C4 C5 O5 ga_9 C6 C5 O5 ga_9 C5 O5 C1 ga_10 C2 C1 O5 ga_9 C2 C1 O1 ga_9 O5 C1 O1 ga_9 C1 O1 +C4 ga_10 [ impropers ] ; ai aj ak al gromos type C4 -O1 C3 C5 gi_2 C4 O3 C2 C3 gi_2 C4 C6 O5 C5 gi_2 C6 O61 O62 C5 gi_1 C1 C3 O2 C2 gi_2 C1 O5 O1 C2 gi_2 [ dihedrals ] ; ai aj ak al gromos type -C1 -O1 C4 C3 gd_30 -O1 C4 C3 O3 gd_18 -O1 C4 C3 C2 gd_17 C5 C4 C3 O3 gd_17 C5 C4 C3 C2 gd_34 -O1 C4 C5 C6 gd_17 C3 C4 C5 C6 gd_34 C3 C4 C5 O5 gd_17 C2 C3 O3 HO3 gd_30 C4 C3 C2 O2 gd_17 C4 C3 C2 C1 gd_34 O3 C3 C2 O2 gd_18 O3 C3 C2 C1 gd_17 C1 C2 O2 HO2 gd_30 C3 C2 C1 O5 gd_17 C3 C2 C1 O1 gd_17 C3 C2 C1 O1 gd_34 O2 C2 C1 O1 gd_18 O61 C6 C5 O5 gd_40 C4 C5 O5 C1 gd_29 C5 O5 C1 C2 gd_29 O5 C1 O1 +C4 gd_6 O5 C1 O1 +C4 gd_28 [ DPPC ] [ atoms ] C33 CH3 0.25000 0 C34 CH3 0.25000 0 C35 CH3 0.25000 0 N NL 0.00000 0 C32 CH2 0.25000 0 C31 CH2 0.00000 1 O32 OA -0.36000 2 P P 0.99000 2 O33 OM -0.63500 2 O34 OM -0.63500 2 O31 OA -0.36000 2 C3 CH2 0.00000 3 C2 CH1 0.16000 4 O21 OE -0.36000 4 C21 C 0.58000 4 O22 O -0.38000 4 C22 CH2 0.00000 5 C23 CH2 0.00000 5 C24 CH2 0.00000 6 C25 CH2 0.00000 6 C26 CH2 0.00000 7 C27 CH2 0.00000 7 C28 CH2 0.00000 8 C29 CH2 0.00000 8 C210 CH2 0.00000 9 C211 CH2 0.00000 9 C212 CH2 0.00000 10 C213 CH2 0.00000 10 C214 CH2 0.00000 11 C215 CH2 0.00000 11 C216 CH3 0.00000 12 C1 CH2 0.16000 13 O11 OE -0.36000 13 C11 C 0.58000 13 O12 O -0.38000 13 C12 CH2 0.00000 14 C13 CH2 0.00000 14 C14 CH2 0.00000 15 C15 CH2 0.00000 15 C16 CH2 0.00000 16 C17 CH2 0.00000 16 C18 CH2 0.00000 17 C19 CH2 0.00000 17 C110 CH2 0.00000 18 C111 CH2 0.00000 18 C112 CH2 0.00000 19 C113 CH2 0.00000 19 C114 CH2 0.00000 20 C115 CH2 0.00000 20 C116 CH3 0.00000 21 [ bonds ] C33 N gb_21 C34 N gb_21 C35 N gb_21 N C32 gb_21 C32 C31 gb_27 C31 O32 gb_18 O32 P gb_28 P O33 gb_24 P O34 gb_24 P O31 gb_28 O31 C3 gb_18 C3 C2 gb_27 C2 O21 gb_18 C2 C1 gb_27 O21 C21 gb_10 C21 O22 gb_5 C21 C22 gb_23 C22 C23 gb_27 C23 C24 gb_27 C24 C25 gb_27 C25 C26 gb_27 C26 C27 gb_27 C27 C28 gb_27 C28 C29 gb_27 C29 C210 gb_27 C210 C211 gb_27 C211 C212 gb_27 C212 C213 gb_27 C213 C214 gb_27 C214 C215 gb_27 C215 C216 gb_27 C1 O11 gb_18 O11 C11 gb_10 C11 O12 gb_5 C11 C12 gb_23 C12 C13 gb_27 C13 C14 gb_27 C14 C15 gb_27 C15 C16 gb_27 C16 C17 gb_27 C17 C18 gb_27 C18 C19 gb_27 C19 C110 gb_27 C110 C111 gb_27 C111 C112 gb_27 C112 C113 gb_27 C113 C114 gb_27 C114 C115 gb_27 C115 C116 gb_27 [ angles ] ; ai aj ak gromos type C33 N C34 ga_13 C33 N C35 ga_13 C33 N C32 ga_13 C34 N C35 ga_13 C34 N C32 ga_13 C35 N C32 ga_13 N C32 C31 ga_15 C32 C31 O32 ga_15 C31 O32 P ga_26 O32 P O33 ga_14 O32 P O34 ga_14 O32 P O31 ga_5 O33 P O34 ga_29 O33 P O31 ga_14 O34 P O31 ga_14 P O31 C3 ga_26 O31 C3 C2 ga_15 C3 C2 O21 ga_13 C3 C2 C1 ga_13 O21 C2 C1 ga_13 C2 O21 C21 ga_22 O21 C21 O22 ga_31 O21 C21 C22 ga_16 O22 C21 C22 ga_35 C21 C22 C23 ga_15 C22 C23 C24 ga_15 C23 C24 C25 ga_15 C24 C25 C26 ga_15 C25 C26 C27 ga_15 C26 C27 C28 ga_15 C27 C28 C29 ga_15 C28 C29 C210 ga_15 C29 C210 C211 ga_15 C210 C211 C212 ga_15 C211 C212 C213 ga_15 C212 C213 C214 ga_15 C213 C214 C215 ga_15 C214 C215 C216 ga_15 C2 C1 O11 ga_15 C1 O11 C11 ga_22 O11 C11 O12 ga_31 O11 C11 C12 ga_16 O12 C11 C12 ga_35 C11 C12 C13 ga_15 C12 C13 C14 ga_15 C13 C14 C15 ga_15 C14 C15 C16 ga_15 C15 C16 C17 ga_15 C16 C17 C18 ga_15 C17 C18 C19 ga_15 C18 C19 C110 ga_15 C19 C110 C111 ga_15 C110 C111 C112 ga_15 C111 C112 C113 ga_15 C112 C113 C114 ga_15 C113 C114 C115 ga_15 C114 C115 C116 ga_15 [ impropers ] ; ai aj ak al gromos type O21 C3 C1 C2 gi_2 C21 O21 C22 O22 gi_1 C11 O11 C12 O12 gi_1 [ dihedrals ] ; ai aj ak al gromos type C33 N C32 C31 gd_29 N C32 C31 O32 gd_4 N C32 C31 O32 gd_36 C32 C31 O32 P gd_29 C31 O32 P O31 gd_20 C31 O32 P O31 gd_27 O32 P O31 C3 gd_20 O32 P O31 C3 gd_27 P O31 C3 C2 gd_29 O31 C3 C2 C1 gd_34 C3 C2 O21 C21 gd_29 C3 C2 C1 O11 gd_34 C2 O21 C21 C22 gd_13 O21 C21 C22 C23 gd_40 C21 C22 C23 C24 gd_34 C22 C23 C24 C25 gd_34 C23 C24 C25 C26 gd_34 C24 C25 C26 C27 gd_34 C25 C26 C27 C28 gd_34 C26 C27 C28 C29 gd_34 C27 C28 C29 C210 gd_34 C28 C29 C210 C211 gd_34 C29 C210 C211 C212 gd_34 C210 C211 C212 C213 gd_34 C211 C212 C213 C214 gd_34 C212 C213 C214 C215 gd_34 C213 C214 C215 C216 gd_34 C2 C1 O11 C11 gd_29 C1 O11 C11 C12 gd_13 O11 C11 C12 C13 gd_40 C11 C12 C13 C14 gd_34 C12 C13 C14 C15 gd_34 C13 C14 C15 C16 gd_34 C14 C15 C16 C17 gd_34 C15 C16 C17 C18 gd_34 C16 C17 C18 C19 gd_34 C17 C18 C19 C110 gd_34 C18 C19 C110 C111 gd_34 C19 C110 C111 C112 gd_34 C110 C111 C112 C113 gd_34 C111 C112 C113 C114 gd_34 C112 C113 C114 C115 gd_34 C113 C114 C115 C116 gd_34 [ HEME ] [ atoms ] FE FE 0.40000 0 NA NR -0.10000 0 NB NR -0.10000 0 NC NR -0.10000 0 ND NR -0.10000 0 CHA C -0.10000 1 HHA HC 0.10000 1 C1A C 0.00000 2 C2A C 0.00000 2 C3A C 0.00000 2 C4A C 0.00000 2 CMA CH3 0.00000 3 CAA CH2 0.00000 4 CBA CH2 0.00000 4 CGA C 0.27000 5 O1A OM -0.63500 5 O2A OM -0.63500 5 CHB C -0.10000 6 HHB HC 0.10000 6 C1B C 0.00000 7 C2B C 0.00000 7 C3B C 0.00000 7 C4B C 0.00000 7 CMB CH3 0.00000 8 CAB CR1 0.00000 9 CBB CH2 0.00000 9 CHC C -0.10000 10 HHC HC 0.10000 10 C1C C 0.00000 11 C2C C 0.00000 11 C3C C 0.00000 11 C4C C 0.00000 11 CMC CH3 0.00000 12 CAC CR1 0.00000 13 CBC CH2 0.00000 13 CHD C -0.10000 14 HHD HC 0.10000 14 C1D C 0.00000 15 C2D C 0.00000 15 C3D C 0.00000 15 C4D C 0.00000 15 CMD CH3 0.00000 16 CAD CH2 0.00000 17 CBD CH2 0.00000 17 CGD C 0.27000 18 O1D OM -0.63500 18 O2D OM -0.63500 18 [ bonds ] FE NA gb_35 FE NB gb_35 FE NC gb_35 FE ND gb_35 NA C1A gb_14 NA C4A gb_14 NB C1B gb_14 NB C4B gb_14 NC C1C gb_14 NC C4C gb_14 ND C1D gb_14 ND C4D gb_14 CHA HHA gb_3 CHA C1A gb_17 CHA C4D gb_17 C1A C2A gb_17 C2A C3A gb_17 C2A CAA gb_27 C3A C4A gb_17 C3A CMA gb_27 C4A CHB gb_17 CAA CBA gb_27 CBA CGA gb_27 CGA O1A gb_6 CGA O2A gb_6 CHB HHB gb_3 CHB C1B gb_17 C1B C2B gb_17 C2B C3B gb_17 C2B CMB gb_27 C3B C4B gb_17 C3B CAB gb_27 C4B CHC gb_17 CAB CBB gb_12 CHC HHC gb_3 CHC C1C gb_17 C1C C2C gb_17 C2C C3C gb_17 C2C CMC gb_27 C3C C4C gb_17 C3C CAC gb_27 C4C CHD gb_17 CAC CBC gb_12 CHD HHD gb_3 CHD C1D gb_17 C1D C2D gb_17 C2D C3D gb_17 C2D CMD gb_27 C3D C4D gb_17 C3D CAD gb_27 CAD CBD gb_27 CBD CGD gb_27 CGD O1D gb_6 CGD O2D gb_6 [ exclusions ] ; ai aj FE CHA FE C2A FE C3A FE CHB FE C2B FE C3B FE CHC FE C2C FE C3C FE CHD FE C2D FE C3D NA HHA NA CMA NA CAA NA HHB NA C1B NA C4B NA C1C NA C4C NA C1D NA C4D NB C1A NB C4A NB HHB NB CMB NB CAB NB HHC NB C1C NB C4C NB C1D NB C4D NC C1A NC C4A NC C1B NC C4B NC HHC NC CMC NC CAC NC HHD NC C1D NC C4D ND HHA ND C1A ND C4A ND C1B ND C4B ND C1C ND C4C ND HHD ND CMD ND CAD CHA C3A CHA C4A CHA CAA CHA C1D CHA C2D CHA CAD HHA C2A HHA C3D C1A CMA C1A CHB C1A C3D C2A CHB C3A HHB C3A C1B C4A CAA C4A C2B CMA CAA CMA CHB CHB C3B CHB C4B CHB CMB HHB C2B C1B CAB C1B CHC C2B CHC C3B HHC C3B C1C C4B CMB C4B C2C CMB CAB CAB CHC CHC C3C CHC C4C CHC CMC HHC C2C C1C CAC C1C CHD C2C CHD C3C HHD C3C C1D C4C CMC C4C C2D CMC CAC CAC CHD CHD C3D CHD C4D CHD CMD HHD C2D C1D CAD C4D CMD CMD CAD [ angles ] ; ai aj ak gromos type NA FE NB ga_2 NA FE ND ga_2 NB FE NC ga_2 NC FE ND ga_2 FE NA C1A ga_36 FE NA C4A ga_36 C1A NA C4A ga_6 FE NB C1B ga_36 FE NB C4B ga_36 C1B NB C4B ga_6 FE NC C1C ga_36 FE NC C4C ga_36 C1C NC C4C ga_6 FE ND C1D ga_36 FE ND C4D ga_36 C1D ND C4D ga_6 HHA CHA C1A ga_20 HHA CHA C4D ga_20 C1A CHA C4D ga_37 NA C1A CHA ga_33 NA C1A C2A ga_15 CHA C1A C2A ga_38 C1A C2A C3A ga_7 C1A C2A CAA ga_37 C3A C2A CAA ga_37 C2A C3A C4A ga_7 C2A C3A CMA ga_37 C4A C3A CMA ga_37 NA C4A C3A ga_15 NA C4A CHB ga_33 C3A C4A CHB ga_38 C2A CAA CBA ga_15 CAA CBA CGA ga_15 CBA CGA O1A ga_22 CBA CGA O2A ga_22 O1A CGA O2A ga_38 C4A CHB HHB ga_20 C4A CHB C1B ga_37 HHB CHB C1B ga_20 NB C1B CHB ga_33 NB C1B C2B ga_15 CHB C1B C2B ga_38 C1B C2B C3B ga_7 C1B C2B CMB ga_37 C3B C2B CMB ga_37 C2B C3B C4B ga_7 C2B C3B CAB ga_37 C4B C3B CAB ga_37 NB C4B C3B ga_15 NB C4B CHC ga_33 C3B C4B CHC ga_38 C3B CAB CBB ga_37 C4B CHC HHC ga_20 C4B CHC C1C ga_37 HHC CHC C1C ga_20 NC C1C CHC ga_33 NC C1C C2C ga_15 CHC C1C C2C ga_38 C1C C2C C3C ga_7 C1C C2C CMC ga_37 C3C C2C CMC ga_37 C2C C3C C4C ga_7 C2C C3C CAC ga_37 C4C C3C CAC ga_37 NC C4C C3C ga_15 NC C4C CHD ga_33 C3C C4C CHD ga_38 C3C CAC CBC ga_37 C4C CHD HHD ga_20 C4C CHD C1D ga_37 HHD CHD C1D ga_20 ND C1D CHD ga_33 ND C1D C2D ga_15 CHD C1D C2D ga_38 C1D C2D C3D ga_7 C1D C2D CMD ga_37 C3D C2D CMD ga_37 C2D C3D C4D ga_7 C2D C3D CAD ga_37 C4D C3D CAD ga_37 ND C4D CHA ga_33 ND C4D C3D ga_15 CHA C4D C3D ga_38 C3D CAD CBD ga_15 CAD CBD CGD ga_15 CBD CGD O1D ga_22 CBD CGD O2D ga_22 O1D CGD O2D ga_38 [ impropers ] ; ai aj ak al gromos type FE C1A C4A NA gi_3 FE C1B C4B NB gi_3 FE C1C C4C NC gi_3 FE C1D C4D ND gi_3 NA C1A C2A C3A gi_1 NB C1B C2B C3B gi_1 NC C1C C2C C3C gi_1 ND C1D C2D C3D gi_1 CHA NA C2A C1A gi_1 CHA ND C3D C4D gi_1 HHA C1A C4D CHA gi_1 C1A NA C4A C3A gi_1 C1A C2A C3A C4A gi_1 C2A C1A C3A CAA gi_1 C2A C3A C4A NA gi_1 C3A C2A C4A CMA gi_1 C4A NA C1A C2A gi_1 CBA O1A O2A CGA gi_1 CHB NA C3A C4A gi_1 CHB NB C2B C1B gi_1 CHB C4A C1B HHB gi_1 C1B NB C4B C3B gi_1 C1B C2B C3B C4B gi_1 C2B C1B C3B CMB gi_1 C2B C3B C4B NB gi_1 C3B C2B C4B CAB gi_1 C4B NB C1B C2B gi_1 CHC NB C3B C4B gi_1 CHC NC C2C C1C gi_1 CHC C4B C1C HHC gi_1 C1C NC C4C C3C gi_1 C1C C2C C3C C4C gi_1 C2C C1C C3C CMC gi_1 C2C C3C C4C NC gi_1 C3C C2C C4C CAC gi_1 C4C NC C1C C2C gi_1 CHD NC C3C C4C gi_1 CHD ND C2D C1D gi_1 CHD C4C C1D HHD gi_1 C1D ND C4D C3D gi_1 C1D C2D C3D C4D gi_1 C2D C1D C3D CMD gi_1 C2D C3D C4D ND gi_1 C3D C2D C4D CAD gi_1 C4D ND C1D C2D gi_1 CBD O1D O2D CGD gi_1 [ dihedrals ] ; ai aj ak al gromos type C4D CHA C1A NA gd_15 C1A CHA C4D ND gd_15 C1A C2A CAA CBA gd_40 NA C4A CHB C1B gd_15 C2A CAA CBA CGA gd_34 CAA CBA CGA O1A gd_40 C4A CHB C1B NB gd_15 C2B C3B CAB CBB gd_9 NB C4B CHC C1C gd_15 C4B CHC C1C NC gd_15 C2C C3C CAC CBC gd_9 NC C4C CHD C1D gd_15 C4C CHD C1D ND gd_15 C2D C3D CAD CBD gd_40 C3D CAD CBD CGD gd_34 CAD CBD CGD O1D gd_40 [ HEMC ] [ atoms ] FE FE 0.40000 0 NA NR -0.10000 0 NB NR -0.10000 0 NC NR -0.10000 0 ND NR -0.10000 0 CHA C -0.10000 1 HHA HC 0.10000 1 C1A C 0.00000 2 C2A C 0.00000 2 C3A C 0.00000 2 C4A C 0.00000 2 CMA CH3 0.00000 3 CAA CH2 0.00000 4 CBA CH2 0.00000 4 CGA C 0.27000 5 O1A OM -0.63500 5 O2A OM -0.63500 5 CHB C -0.10000 6 HHB HC 0.10000 6 C1B C 0.00000 7 C2B C 0.00000 7 C3B C 0.00000 7 C4B C 0.00000 7 CMB CH3 0.00000 8 CAB CR1 0.00000 9 CBB CH2 0.00000 9 CHC C -0.10000 10 HHC HC 0.10000 10 C1C C 0.00000 11 C2C C 0.00000 11 C3C C 0.00000 11 C4C C 0.00000 11 CMC CH3 0.00000 12 CAC CR1 0.00000 13 CBC CH2 0.00000 13 CHD C -0.10000 14 HHD HC 0.10000 14 C1D C 0.00000 15 C2D C 0.00000 15 C3D C 0.00000 15 C4D C 0.00000 15 CMD CH3 0.00000 16 CAD CH2 0.00000 17 CBD CH2 0.00000 17 CGD C 0.27000 18 O1D OM -0.63500 18 O2D OM -0.63500 18 C1O C 0.00000 19 O1C O 0.00000 19 [ bonds ] FE NA gb_35 FE NB gb_35 FE NC gb_35 FE ND gb_35 FE C1O gb_30 NA C1A gb_14 NA C4A gb_14 NB C1B gb_14 NB C4B gb_14 NC C1C gb_14 NC C4C gb_14 ND C1D gb_14 ND C4D gb_14 CHA HHA gb_3 CHA C1A gb_17 CHA C4D gb_17 C1A C2A gb_17 C2A C3A gb_17 C2A CAA gb_27 C3A C4A gb_17 C3A CMA gb_27 C4A CHB gb_17 CAA CBA gb_27 CBA CGA gb_27 CGA O1A gb_6 CGA O2A gb_6 CHB HHB gb_3 CHB C1B gb_17 C1B C2B gb_17 C2B C3B gb_17 C2B CMB gb_27 C3B C4B gb_17 C3B CAB gb_27 C4B CHC gb_17 CAB CBB gb_12 CHC HHC gb_3 CHC C1C gb_17 C1C C2C gb_17 C2C C3C gb_17 C2C CMC gb_27 C3C C4C gb_17 C3C CAC gb_27 C4C CHD gb_17 CAC CBC gb_12 CHD HHD gb_3 CHD C1D gb_17 C1D C2D gb_17 C2D C3D gb_17 C2D CMD gb_27 C3D C4D gb_17 C3D CAD gb_27 CAD CBD gb_27 CBD CGD gb_27 CGD O1D gb_6 CGD O2D gb_6 C1O O1C gb_4 [ exclusions ] ; ai aj FE CHA FE C2A FE C3A FE CHB FE C2B FE C3B FE CHC FE C2C FE C3C FE CHD FE C2D FE C3D NA HHA NA CMA NA CAA NA HHB NA C1B NA C4B NA C1C NA C4C NA C1D NA C4D NA O1C NB C1A NB C4A NB HHB NB CMB NB CAB NB HHC NB C1C NB C4C NB C1D NB C4D NB O1C NC C1A NC C4A NC C1B NC C4B NC HHC NC CMC NC CAC NC HHD NC C1D NC C4D NC O1C ND HHA ND C1A ND C4A ND C1B ND C4B ND C1C ND C4C ND HHD ND CMD ND CAD ND O1C CHA C3A CHA C4A CHA CAA CHA C1D CHA C2D CHA CAD HHA C2A HHA C3D C1A CMA C1A CHB C1A C3D C1A C1O C2A CHB C3A HHB C3A C1B C4A CAA C4A C2B C4A C1O CMA CAA CMA CHB CHB C3B CHB C4B CHB CMB HHB C2B C1B CAB C1B CHC C1B C1O C2B CHC C3B HHC C3B C1C C4B CMB C4B C2C C4B C1O CMB CAB CAB CHC CHC C3C CHC C4C CHC CMC HHC C2C C1C CAC C1C CHD C1C C1O C2C CHD C3C HHD C3C C1D C4C CMC C4C C2D C4C C1O CMC CAC CAC CHD CHD C3D CHD C4D CHD CMD HHD C2D C1D CAD C1D C1O C4D CMD C4D C1O CMD CAD [ angles ] ; ai aj ak gromos type NA FE NB ga_2 NA FE ND ga_2 NA FE C1O ga_1 NB FE NC ga_2 NB FE C1O ga_1 NC FE ND ga_2 NC FE C1O ga_1 ND FE C1O ga_1 FE NA C1A ga_36 FE NA C4A ga_36 C1A NA C4A ga_6 FE NB C1B ga_36 FE NB C4B ga_36 C1B NB C4B ga_6 FE NC C1C ga_36 FE NC C4C ga_36 C1C NC C4C ga_6 FE ND C1D ga_36 FE ND C4D ga_36 C1D ND C4D ga_6 HHA CHA C1A ga_20 HHA CHA C4D ga_20 C1A CHA C4D ga_37 NA C1A CHA ga_33 NA C1A C2A ga_15 CHA C1A C2A ga_38 C1A C2A C3A ga_7 C1A C2A CAA ga_37 C3A C2A CAA ga_37 C2A C3A C4A ga_7 C2A C3A CMA ga_37 C4A C3A CMA ga_37 NA C4A C3A ga_15 NA C4A CHB ga_33 C3A C4A CHB ga_38 C2A CAA CBA ga_15 CAA CBA CGA ga_15 CBA CGA O1A ga_22 CBA CGA O2A ga_22 O1A CGA O2A ga_38 C4A CHB HHB ga_20 C4A CHB C1B ga_37 HHB CHB C1B ga_20 NB C1B CHB ga_33 NB C1B C2B ga_15 CHB C1B C2B ga_38 C1B C2B C3B ga_7 C1B C2B CMB ga_37 C3B C2B CMB ga_37 C2B C3B C4B ga_7 C2B C3B CAB ga_37 C4B C3B CAB ga_37 NB C4B C3B ga_15 NB C4B CHC ga_33 C3B C4B CHC ga_38 C3B CAB CBB ga_37 C4B CHC HHC ga_20 C4B CHC C1C ga_37 HHC CHC C1C ga_20 NC C1C CHC ga_33 NC C1C C2C ga_15 CHC C1C C2C ga_38 C1C C2C C3C ga_7 C1C C2C CMC ga_37 C3C C2C CMC ga_37 C2C C3C C4C ga_7 C2C C3C CAC ga_37 C4C C3C CAC ga_37 NC C4C C3C ga_15 NC C4C CHD ga_33 C3C C4C CHD ga_38 C3C CAC CBC ga_37 C4C CHD HHD ga_20 C4C CHD C1D ga_37 HHD CHD C1D ga_20 ND C1D CHD ga_33 ND C1D C2D ga_15 CHD C1D C2D ga_38 C1D C2D C3D ga_7 C1D C2D CMD ga_37 C3D C2D CMD ga_37 C2D C3D C4D ga_7 C2D C3D CAD ga_37 C4D C3D CAD ga_37 ND C4D CHA ga_33 ND C4D C3D ga_15 CHA C4D C3D ga_38 C3D CAD CBD ga_15 CAD CBD CGD ga_15 CBD CGD O1D ga_22 CBD CGD O2D ga_22 O1D CGD O2D ga_38 FE C1O O1C ga_41 [ impropers ] ; ai aj ak al gromos type FE C1A C4A NA gi_3 FE C1B C4B NB gi_3 FE C1C C4C NC gi_3 FE C1D C4D ND gi_3 NA C1A C2A C3A gi_1 NB C1B C2B C3B gi_1 NC C1C C2C C3C gi_1 ND C1D C2D C3D gi_1 CHA NA C2A C1A gi_1 CHA ND C3D C4D gi_1 HHA C1A C4D CHA gi_1 C1A NA C4A C3A gi_1 C1A C2A C3A C4A gi_1 C2A C1A C3A CAA gi_1 C2A C3A C4A NA gi_1 C3A C2A C4A CMA gi_1 C4A NA C1A C2A gi_1 CBA O1A O2A CGA gi_1 CHB NA C3A C4A gi_1 CHB NB C2B C1B gi_1 CHB C4A C1B HHB gi_1 C1B NB C4B C3B gi_1 C1B C2B C3B C4B gi_1 C2B C1B C3B CMB gi_1 C2B C3B C4B NB gi_1 C3B C2B C4B CAB gi_1 C4B NB C1B C2B gi_1 CHC NB C3B C4B gi_1 CHC NC C2C C1C gi_1 CHC C4B C1C HHC gi_1 C1C NC C4C C3C gi_1 C1C C2C C3C C4C gi_1 C2C C1C C3C CMC gi_1 C2C C3C C4C NC gi_1 C3C C2C C4C CAC gi_1 C4C NC C1C C2C gi_1 CHD NC C3C C4C gi_1 CHD ND C2D C1D gi_1 CHD C4C C1D HHD gi_1 C1D ND C4D C3D gi_1 C1D C2D C3D C4D gi_1 C2D C1D C3D CMD gi_1 C2D C3D C4D ND gi_1 C3D C2D C4D CAD gi_1 C4D ND C1D C2D gi_1 CBD O1D O2D CGD gi_1 [ dihedrals ] ; ai aj ak al gromos type C4D CHA C1A NA gd_15 C1A CHA C4D ND gd_15 C1A C2A CAA CBA gd_40 NA C4A CHB C1B gd_15 C2A CAA CBA CGA gd_34 CAA CBA CGA O1A gd_40 C4A CHB C1B NB gd_15 C2B C3B CAB CBB gd_9 NB C4B CHC C1C gd_15 C4B CHC C1C NC gd_15 C2C C3C CAC CBC gd_9 NC C4C CHD C1D gd_15 C4C CHD C1D ND gd_15 C2D C3D CAD CBD gd_40 C3D CAD CBD CGD gd_34 CAD CBD CGD O1D gd_40 [ CYTa ] [ atoms ] C4* CH1 0.16000 0 O4* OA -0.36000 0 C1* CH1 0.20000 0 N1 NR -0.20000 1 C6 CR1 0.20000 1 C2 C 0.38000 2 O2 O -0.38000 2 N3 NR -0.36000 3 C4 C 0.36000 3 N4 NT -0.83000 4 H41 H 0.41500 4 H42 H 0.41500 4 C5 CR1 0.00000 5 C2* CH1 0.15000 6 O2* OA -0.54800 6 H2* H 0.39800 6 C3* CH1 0.00000 7 O3* OA -0.36000 8 SI1 P 0.54000 8 OSI OA -0.36000 8 SI2 P 0.54000 8 O5* OA -0.36000 8 C5* CH2R 0.00000 9 C11 CH1 0.00000 10 C111 CH3 0.00000 10 C112 CH3 0.00000 10 C12 CH1 0.00000 11 C121 CH3 0.00000 11 C122 CH3 0.00000 11 C21 CH1 0.00000 12 C211 CH3 0.00000 12 C212 CH3 0.00000 12 C22 CH1 0.00000 13 C221 CH3 0.00000 13 C222 CH3 0.00000 13 [ bonds ] C4* O4* gb_20 C4* C3* gb_26 C4* C5* gb_26 O4* C1* gb_20 C1* N1 gb_23 C1* C2* gb_26 N1 C6 gb_17 N1 C2 gb_17 C6 C5 gb_16 C2 O2 gb_5 C2 N3 gb_12 N3 C4 gb_12 C4 N4 gb_9 C4 C5 gb_16 N4 H41 gb_2 N4 H42 gb_2 C2* O2* gb_20 C2* C3* gb_26 O2* H2* gb_1 C3* O3* gb_20 O3* SI1 gb_29 SI1 OSI gb_29 SI1 C11 gb_33 SI1 C12 gb_33 OSI SI2 gb_29 SI2 O5* gb_29 SI2 C21 gb_33 SI2 C22 gb_33 O5* C5* gb_20 C11 C111 gb_27 C11 C112 gb_27 C12 C121 gb_27 C12 C122 gb_27 C21 C211 gb_27 C21 C212 gb_27 C22 C221 gb_27 C22 C222 gb_27 [ exclusions ] ; ai aj C1* O2 C1* N3 C1* C5 N1 C4 C6 O2 C6 N3 C6 N4 C2 N4 C2 C5 O2 C4 [ angles ] ; ai aj ak gromos type O4* C4* C3* ga_9 O4* C4* C5* ga_9 C3* C4* C5* ga_8 C4* O4* C1* ga_10 O4* C1* N1 ga_9 O4* C1* C2* ga_9 N1 C1* C2* ga_8 C1* N1 C6 ga_27 C1* N1 C2 ga_27 C6 N1 C2 ga_27 N1 C6 C5 ga_27 N1 C2 O2 ga_27 N1 C2 N3 ga_27 O2 C2 N3 ga_27 C2 N3 C4 ga_27 N3 C4 N4 ga_27 N3 C4 C5 ga_27 N4 C4 C5 ga_27 C4 N4 H41 ga_23 C4 N4 H42 ga_23 H41 N4 H42 ga_24 C6 C5 C4 ga_27 C1* C2* O2* ga_9 C1* C2* C3* ga_8 O2* C2* C3* ga_9 C2* O2* H2* ga_12 C4* C3* C2* ga_8 C4* C3* O3* ga_9 C2* C3* O3* ga_9 C3* O3* SI1 ga_26 O3* SI1 OSI ga_12 O3* SI1 C11 ga_12 O3* SI1 C12 ga_12 OSI SI1 C11 ga_12 OSI SI1 C12 ga_12 C11 SI1 C12 ga_12 SI1 OSI SI2 ga_40 OSI SI2 O5* ga_12 OSI SI2 C21 ga_12 OSI SI2 C22 ga_12 O5* SI2 C21 ga_12 O5* SI2 C22 ga_12 C21 SI2 C22 ga_12 SI2 O5* C5* ga_26 C4* C5* O5* ga_9 SI1 C11 C111 ga_13 SI1 C11 C112 ga_13 C111 C11 C112 ga_15 SI1 C12 C121 ga_13 SI1 C12 C122 ga_13 C121 C12 C122 ga_15 SI2 C21 C211 ga_13 SI2 C21 C212 ga_13 C211 C21 C212 ga_15 SI2 C22 C221 ga_13 SI2 C22 C222 ga_13 C221 C22 C222 ga_15 [ impropers ] ; ai aj ak al gromos type C4* O4* C5* C3* gi_2 N1 C6 C2 C1* gi_1 N1 C6 C5 C4 gi_1 N1 C2 N3 C4 gi_1 C6 N1 C2 N3 gi_1 C2 N1 C6 C5 gi_1 C2 N3 C4 C5 gi_1 O2 N1 N3 C2 gi_1 N3 C4 C5 C6 gi_1 N4 N3 C5 C4 gi_1 N4 H41 H42 C4 gi_1 C2* O4* N1 C1* gi_2 C2* O2* C3* C1* gi_2 C3* C2* O3* C4* gi_2 SI1 C111 C112 C11 gi_2 SI1 C121 C122 C12 gi_2 SI2 C211 C212 C21 gi_2 SI2 C221 C222 C22 gi_2 [ dihedrals ] ; ai aj ak al gromos type C3* C4* O4* C1* gd_29 O4* C4* C3* C2* gd_17 O4* C4* C3* O3* gd_18 C5* C4* C3* C2* gd_34 C5* C4* C3* O3* gd_17 O4* C4* C5* O5* gd_18 C3* C4* C5* O5* gd_17 C3* C4* C5* O5* gd_34 C4* O4* C1* C2* gd_29 O4* C1* N1 C2 gd_16 O4* C1* C2* O2* gd_18 O4* C1* C2* C3* gd_17 O4* C1* C2* C3* gd_34 N1 C1* C2* O2* gd_17 N3 C4 N4 H41 gd_14 C1* C2* O2* H2* gd_23 C1* C2* C3* C4* gd_34 C1* C2* C3* O3* gd_17 O2* C2* C3* C4* gd_17 O2* C2* C3* O3* gd_18 C4* C3* O3* SI1 gd_29 C3* O3* SI1 OSI gd_29 O3* SI1 OSI SI2 gd_29 O3* SI1 C11 C111 gd_34 O3* SI1 C12 C121 gd_34 SI1 OSI SI2 O5* gd_29 OSI SI2 O5* C5* gd_29 O5* SI2 C21 C211 gd_34 O5* SI2 C22 C221 gd_34 SI2 O5* C5* C4* gd_29 [ MTXH ] [ atoms ] N1 NR -0.28000 0 HA1 H 0.28000 0 C2 C 0.00000 0 NA2 NT -0.83000 1 HA21 H 0.41500 1 HA22 H 0.41500 1 N3 NR -0.36000 2 C4 C 0.36000 2 NA4 NT -0.83000 3 HA41 H 0.41500 3 HA42 H 0.41500 3 C4A C 0.00000 4 N5 NR -0.36000 4 C6 C 0.36000 4 C7 CR1 0.36000 5 N8 NR -0.36000 5 C8A C 0.00000 5 C9 CH2 0.00000 6 N10 NE 0.00000 6 CM10 CH3 0.00000 6 C14 C 0.00000 7 C13 CR1 0.00000 7 C15 CR1 0.00000 7 C12 CR1 0.00000 8 C16 CR1 0.00000 8 C11 C 0.00000 8 C C 0.38000 9 O O -0.38000 9 N N -0.28000 10 H H 0.28000 10 CA CH1 0.00000 11 CB CH2 0.00000 11 CG CH2 0.00000 11 CD C 0.27000 12 OE1 OM -0.63500 12 OE2 OM -0.63500 12 CT C 0.27000 13 O1 OM -0.63500 13 O2 OM -0.63500 13 [ bonds ] N1 HA1 gb_2 N1 C2 gb_17 N1 C8A gb_17 C2 NA2 gb_9 C2 N3 gb_12 NA2 HA21 gb_2 NA2 HA22 gb_2 N3 C4 gb_12 C4 NA4 gb_9 C4 C4A gb_16 NA4 HA41 gb_2 NA4 HA42 gb_2 C4A N5 gb_12 C4A C8A gb_16 N5 C6 gb_12 C6 C7 gb_16 C6 C9 gb_27 C7 N8 gb_7 N8 C8A gb_12 C9 N10 gb_21 N10 CM10 gb_21 N10 C14 gb_11 C14 C13 gb_16 C14 C15 gb_16 C13 C12 gb_16 C15 C16 gb_16 C12 C11 gb_16 C16 C11 gb_16 C11 C gb_27 C O gb_5 C N gb_10 N H gb_2 N CA gb_21 CA CB gb_27 CA CT gb_27 CB CG gb_27 CG CD gb_27 CD OE1 gb_6 CD OE2 gb_6 CT O1 gb_6 CT O2 gb_6 [ exclusions ] ; ai aj N1 C4 N1 N5 N1 C7 HA1 NA2 HA1 N3 HA1 C4A HA1 N8 C2 NA4 C2 C4A C2 N8 NA2 C4 NA2 C8A N3 N5 N3 C8A C4 C6 C4 N8 NA4 N5 NA4 C8A C4A C7 C4A C9 N5 N8 C6 C8A N8 C9 N10 C12 N10 C16 C14 C11 C13 C16 C13 C C15 C12 C15 C [ angles ] ; ai aj ak gromos type HA1 N1 C2 ga_25 HA1 N1 C8A ga_25 C2 N1 C8A ga_27 N1 C2 NA2 ga_27 N1 C2 N3 ga_27 NA2 C2 N3 ga_27 C2 NA2 HA21 ga_23 C2 NA2 HA22 ga_23 HA21 NA2 HA22 ga_24 C2 N3 C4 ga_27 N3 C4 NA4 ga_27 N3 C4 C4A ga_27 NA4 C4 C4A ga_27 C4 NA4 HA41 ga_23 C4 NA4 HA42 ga_23 HA41 NA4 HA42 ga_24 C4 C4A N5 ga_27 C4 C4A C8A ga_27 N5 C4A C8A ga_27 C4A N5 C6 ga_27 N5 C6 C7 ga_27 N5 C6 C9 ga_27 C7 C6 C9 ga_27 C6 C7 N8 ga_27 C7 N8 C8A ga_27 N1 C8A C4A ga_27 N1 C8A N8 ga_27 C4A C8A N8 ga_27 C6 C9 N10 ga_15 C9 N10 CM10 ga_20 C9 N10 C14 ga_33 CM10 N10 C14 ga_23 N10 C14 C13 ga_27 N10 C14 C15 ga_27 C13 C14 C15 ga_27 C14 C13 C12 ga_27 C14 C15 C16 ga_27 C13 C12 C11 ga_27 C15 C16 C11 ga_27 C12 C11 C16 ga_27 C12 C11 C ga_27 C16 C11 C ga_27 C11 C O ga_30 C11 C N ga_19 O C N ga_33 C N H ga_32 C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA CT ga_13 CB CA CT ga_13 CA CB CG ga_15 CB CG CD ga_15 CG CD OE1 ga_22 CG CD OE2 ga_22 OE1 CD OE2 ga_38 CA CT O1 ga_22 CA CT O2 ga_22 O1 CT O2 ga_38 [ impropers ] ; ai aj ak al gromos type N1 C2 N3 C4 gi_1 N1 C2 C8A HA1 gi_1 C2 N1 N3 NA2 gi_1 C2 N1 C8A C4A gi_1 C2 N3 C4 C4A gi_1 NA2 HA21 HA22 C2 gi_1 N3 C4 C4A C8A gi_1 C4 N3 C4A NA4 gi_1 C4 C4A C8A N1 gi_1 NA4 HA41 HA42 C4 gi_1 C4A C4 N5 C8A gi_1 C4A N5 C6 C7 gi_1 N5 C4A C8A N8 gi_1 N5 C6 C7 N8 gi_1 C6 N5 C7 C9 gi_1 C6 C7 N8 C8A gi_1 C7 N8 C8A C4A gi_1 C8A N1 C2 N3 gi_1 C8A N1 N8 C4A gi_1 C8A C4A N5 C6 gi_1 N10 C9 C14 CM10 gi_1 C14 C13 C15 N10 gi_1 C14 C13 C12 C11 gi_1 C14 C15 C16 C11 gi_1 C13 C14 C15 C16 gi_1 C13 C12 C11 C16 gi_1 C15 C14 C13 C12 gi_1 C15 C16 C11 C12 gi_1 C11 C12 C16 C gi_1 C C11 N O gi_1 N C CA H gi_1 CA N CT CB gi_2 CD OE1 OE2 CG gi_1 CT CA O2 O1 gi_1 [ dihedrals ] ; ai aj ak al gromos type N1 C2 NA2 HA21 gd_14 C4A C4 NA4 HA41 gd_14 N5 C6 C9 N10 gd_40 C6 C9 N10 C14 gd_39 C9 N10 C14 C13 gd_14 C12 C11 C N gd_10 C11 C N CA gd_14 C N CA CT gd_39 N CA CB CG gd_34 N CA CT O1 gd_40 CA CB CG CD gd_34 CB CG CD OE1 gd_40 [ FOL ] [ atoms ] N1 NR -0.36000 0 C2 C 0.36000 0 NA2 NT -0.83000 1 HA21 H 0.41500 1 HA22 H 0.41500 1 N3 NR -0.28000 2 HA3 H 0.28000 2 C4 C 0.38000 3 OA4 O -0.38000 3 C4A C 0.00000 4 N5 NR -0.36000 4 C6 C 0.36000 4 C7 CR1 0.36000 5 N8 NR -0.36000 5 C8A C 0.00000 5 C9 CH2 0.00000 6 N10 NE -0.28000 6 H10 H 0.28000 6 C14 C 0.00000 7 C13 CR1 0.00000 7 C15 CR1 0.00000 7 C12 CR1 0.00000 8 C16 CR1 0.00000 8 C11 C 0.00000 8 C C 0.38000 9 O O -0.38000 9 N N -0.28000 10 H H 0.28000 10 CA CH1 0.00000 11 CB CH2 0.00000 11 CG CH2 0.00000 11 CD C 0.27000 12 OE1 OM -0.63500 12 OE2 OM -0.63500 12 CT C 0.27000 13 O1 OM -0.63500 13 O2 OM -0.63500 13 [ bonds ] N1 C2 gb_12 N1 C8A gb_12 C2 NA2 gb_9 C2 N3 gb_17 NA2 HA21 gb_2 NA2 HA22 gb_2 N3 HA3 gb_2 N3 C4 gb_17 C4 OA4 gb_5 C4 C4A gb_16 C4A N5 gb_12 C4A C8A gb_16 N5 C6 gb_12 C6 C7 gb_16 C6 C9 gb_27 C7 N8 gb_7 N8 C8A gb_12 C9 N10 gb_21 N10 H10 gb_2 N10 C14 gb_11 C14 C13 gb_16 C14 C15 gb_16 C13 C12 gb_16 C15 C16 gb_16 C12 C11 gb_16 C16 C11 gb_16 C11 C gb_27 C O gb_5 C N gb_10 N H gb_2 N CA gb_21 CA CB gb_27 CA CT gb_27 CB CG gb_27 CG CD gb_27 CD OE1 gb_6 CD OE2 gb_6 CT O1 gb_6 CT O2 gb_6 [ exclusions ] ; ai aj N1 HA3 N1 C4 N1 N5 N1 C7 C2 OA4 C2 C4A C2 N8 NA2 HA3 NA2 C4 NA2 C8A N3 N5 N3 C8A HA3 OA4 HA3 C4A C4 C6 C4 N8 OA4 N5 OA4 C8A C4A C7 C4A C9 N5 N8 C6 C8A N8 C9 N10 C12 N10 C16 C14 C11 C13 C16 C13 C C15 C12 C15 C [ angles ] ; ai aj ak gromos type C2 N1 C8A ga_27 N1 C2 NA2 ga_27 N1 C2 N3 ga_27 NA2 C2 N3 ga_27 C2 NA2 HA21 ga_23 C2 NA2 HA22 ga_23 HA21 NA2 HA22 ga_24 C2 N3 HA3 ga_25 C2 N3 C4 ga_27 HA3 N3 C4 ga_25 N3 C4 OA4 ga_27 N3 C4 C4A ga_27 OA4 C4 C4A ga_27 C4 C4A N5 ga_27 C4 C4A C8A ga_27 N5 C4A C8A ga_27 C4A N5 C6 ga_27 N5 C6 C7 ga_27 N5 C6 C9 ga_27 C7 C6 C9 ga_27 C6 C7 N8 ga_27 C7 N8 C8A ga_27 N1 C8A C4A ga_27 N1 C8A N8 ga_27 C4A C8A N8 ga_27 C6 C9 N10 ga_15 C9 N10 H10 ga_20 C9 N10 C14 ga_33 H10 N10 C14 ga_23 N10 C14 C13 ga_27 N10 C14 C15 ga_27 C13 C14 C15 ga_27 C14 C13 C12 ga_27 C14 C15 C16 ga_27 C13 C12 C11 ga_27 C15 C16 C11 ga_27 C12 C11 C16 ga_27 C12 C11 C ga_27 C16 C11 C ga_27 C11 C O ga_30 C11 C N ga_19 O C N ga_33 C N H ga_32 C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA CT ga_13 CB CA CT ga_13 CA CB CG ga_15 CB CG CD ga_15 CG CD OE1 ga_22 CG CD OE2 ga_22 OE1 CD OE2 ga_38 CA CT O1 ga_22 CA CT O2 ga_22 O1 CT O2 ga_38 [ impropers ] ; ai aj ak al gromos type N1 C2 N3 C4 gi_1 C2 N1 N3 NA2 gi_1 C2 N1 C8A C4A gi_1 C2 N3 C4 C4A gi_1 NA2 HA21 HA22 C2 gi_1 N3 C2 C4 HA3 gi_1 N3 C4 C4A C8A gi_1 C4 N3 C4A OA4 gi_1 C4 C4A C8A N1 gi_1 C4A C4 N5 C8A gi_1 C4A N5 C6 C7 gi_1 N5 C4A C8A N8 gi_1 N5 C6 C7 N8 gi_1 C6 N5 C7 C9 gi_1 C6 C7 N8 C8A gi_1 C7 N8 C8A C4A gi_1 C8A N1 C2 N3 gi_1 C8A N1 N8 C4A gi_1 C8A C4A N5 C6 gi_1 N10 C9 C14 H10 gi_1 C14 C13 C15 N10 gi_1 C14 C13 C12 C11 gi_1 C14 C15 C16 C11 gi_1 C13 C14 C15 C16 gi_1 C13 C12 C11 C16 gi_1 C15 C14 C13 C12 gi_1 C15 C16 C11 C12 gi_1 C11 C12 C16 C gi_1 C C11 N O gi_1 N C CA H gi_1 CA N CT CB gi_2 CD OE1 OE2 CG gi_1 CT CA O2 O1 gi_1 [ dihedrals ] ; ai aj ak al gromos type N1 C2 NA2 HA21 gd_14 N5 C6 C9 N10 gd_40 C6 C9 N10 C14 gd_39 C9 N10 C14 C13 gd_14 C12 C11 C N gd_10 C11 C N CA gd_14 C N CA CT gd_39 N CA CB CG gd_34 N CA CT O1 gd_40 CA CB CG CD gd_34 CB CG CD OE1 gd_40 [ DHF ] [ atoms ] N1 NR -0.36000 0 C2 C 0.36000 0 NA2 NT -0.83000 1 HA21 H 0.41500 1 HA22 H 0.41500 1 N3 NR -0.28000 2 HA3 H 0.28000 2 C4 C 0.38000 3 OA4 O -0.38000 3 C4A C 0.00000 4 N5 NR -0.36000 4 C6 C 0.36000 4 C7 CH2 0.00000 5 N8 NR -0.28000 5 HA8 H 0.28000 5 C8A C 0.00000 5 C9 CH2 0.00000 6 N10 NE -0.28000 6 H10 H 0.28000 6 C14 C 0.00000 7 C13 CR1 0.00000 7 C15 CR1 0.00000 7 C12 CR1 0.00000 8 C16 CR1 0.00000 8 C11 C 0.00000 8 C C 0.38000 9 O O -0.38000 9 N N -0.28000 10 H H 0.28000 10 CA CH1 0.00000 11 CB CH2 0.00000 11 CG CH2 0.00000 11 CD C 0.27000 12 OE1 OM -0.63500 12 OE2 OM -0.63500 12 CT C 0.27000 13 O1 OM -0.63500 13 O2 OM -0.63500 13 [ bonds ] N1 C2 gb_12 N1 C8A gb_12 C2 NA2 gb_9 C2 N3 gb_17 NA2 HA21 gb_2 NA2 HA22 gb_2 N3 HA3 gb_2 N3 C4 gb_17 C4 OA4 gb_5 C4 C4A gb_16 C4A N5 gb_12 C4A C8A gb_16 N5 C6 gb_12 C6 C7 gb_15 C6 C9 gb_27 C7 N8 gb_17 N8 HA8 gb_2 N8 C8A gb_17 C9 N10 gb_21 N10 H10 gb_2 N10 C14 gb_11 C14 C13 gb_16 C14 C15 gb_16 C13 C12 gb_16 C15 C16 gb_16 C12 C11 gb_16 C16 C11 gb_16 C11 C gb_27 C O gb_5 C N gb_10 N H gb_2 N CA gb_21 CA CB gb_27 CA CT gb_27 CB CG gb_27 CG CD gb_27 CD OE1 gb_6 CD OE2 gb_6 CT O1 gb_6 CT O2 gb_6 [ exclusions ] ; ai aj N1 HA3 N1 C4 N1 N5 N1 C7 N1 HA8 C2 OA4 C2 C4A C2 N8 NA2 HA3 NA2 C4 NA2 C8A N3 N5 N3 C8A HA3 OA4 HA3 C4A C4 C6 C4 N8 OA4 N5 OA4 C8A C4A C7 C4A HA8 C4A C9 N5 N8 C6 HA8 C6 C8A N8 C9 N10 C12 N10 C16 C14 C11 C13 C16 C13 C C15 C12 C15 C [ angles ] ; ai aj ak gromos type C2 N1 C8A ga_27 N1 C2 NA2 ga_27 N1 C2 N3 ga_27 NA2 C2 N3 ga_27 C2 NA2 HA21 ga_23 C2 NA2 HA22 ga_23 HA21 NA2 HA22 ga_24 C2 N3 HA3 ga_25 C2 N3 C4 ga_27 HA3 N3 C4 ga_25 N3 C4 OA4 ga_27 N3 C4 C4A ga_27 OA4 C4 C4A ga_27 C4 C4A N5 ga_27 C4 C4A C8A ga_27 N5 C4A C8A ga_27 C4A N5 C6 ga_27 N5 C6 C7 ga_27 N5 C6 C9 ga_27 C7 C6 C9 ga_27 C6 C7 N8 ga_27 C7 N8 HA8 ga_25 C7 N8 C8A ga_27 HA8 N8 C8A ga_25 N1 C8A C4A ga_27 N1 C8A N8 ga_27 C4A C8A N8 ga_27 C6 C9 N10 ga_15 C9 N10 H10 ga_20 C9 N10 C14 ga_33 H10 N10 C14 ga_23 N10 C14 C13 ga_27 N10 C14 C15 ga_27 C13 C14 C15 ga_27 C14 C13 C12 ga_27 C14 C15 C16 ga_27 C13 C12 C11 ga_27 C15 C16 C11 ga_27 C12 C11 C16 ga_27 C12 C11 C ga_27 C16 C11 C ga_27 C11 C O ga_30 C11 C N ga_19 O C N ga_33 C N H ga_32 C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA CT ga_13 CB CA CT ga_13 CA CB CG ga_15 CB CG CD ga_15 CG CD OE1 ga_22 CG CD OE2 ga_22 OE1 CD OE2 ga_38 CA CT O1 ga_22 CA CT O2 ga_22 O1 CT O2 ga_38 [ impropers ] ; ai aj ak al gromos type N1 C2 N3 C4 gi_1 C2 N1 N3 NA2 gi_1 C2 N1 C8A C4A gi_1 C2 N3 C4 C4A gi_1 NA2 HA21 HA22 C2 gi_1 N3 C2 C4 HA3 gi_1 N3 C4 C4A C8A gi_1 C4 N3 C4A OA4 gi_1 C4 C4A C8A N1 gi_1 C4A C4 N5 C8A gi_1 C4A N5 C6 C7 gi_1 N5 C4A C8A N8 gi_1 N5 C6 C7 N8 gi_1 C6 N5 C7 C9 gi_1 C6 C7 N8 C8A gi_1 C7 N8 C8A C4A gi_1 N8 C7 C8A HA8 gi_1 C8A N1 C2 N3 gi_1 C8A N1 N8 C4A gi_1 C8A C4A N5 C6 gi_1 N10 C9 C14 H10 gi_1 C14 C13 C15 N10 gi_1 C14 C13 C12 C11 gi_1 C14 C15 C16 C11 gi_1 C13 C14 C15 C16 gi_1 C13 C12 C11 C16 gi_1 C15 C14 C13 C12 gi_1 C15 C16 C11 C12 gi_1 C11 C12 C16 C gi_1 C C11 N O gi_1 N C CA H gi_1 CA N CT CB gi_2 CD OE1 OE2 CG gi_1 CT CA O2 O1 gi_1 [ dihedrals ] ; ai aj ak al gromos type N1 C2 NA2 HA21 gd_14 N5 C6 C9 N10 gd_40 C6 C9 N10 C14 gd_39 C9 N10 C14 C13 gd_14 C12 C11 C N gd_10 C11 C N CA gd_14 C N CA CT gd_39 N CA CB CG gd_34 N CA CT O1 gd_40 CA CB CG CD gd_34 CB CG CD OE1 gd_40 [ THF ] [ atoms ] N1 NR -0.36000 0 C2 C 0.36000 0 NA2 NT -0.83000 1 HA21 H 0.41500 1 HA22 H 0.41500 1 N3 NR -0.28000 2 HA3 H 0.28000 2 C4 C 0.38000 3 OA4 O -0.38000 3 C4A C 0.00000 4 N5 NR -0.28000 4 HA5 H 0.28000 4 C6 CH1 0.00000 4 C7 CH2 0.00000 5 N8 NR -0.28000 5 HA8 H 0.28000 5 C8A C 0.00000 5 C9 CH2 0.00000 6 N10 NE -0.28000 6 H10 H 0.28000 6 C14 C 0.00000 7 C13 CR1 0.00000 7 C15 CR1 0.00000 7 C12 CR1 0.00000 8 C16 CR1 0.00000 8 C11 C 0.00000 8 C C 0.38000 9 O O -0.38000 9 N N -0.28000 10 H H 0.28000 10 CA CH1 0.00000 11 CB CH2 0.00000 11 CG CH2 0.00000 11 CD C 0.27000 12 OE1 OM -0.63500 12 OE2 OM -0.63500 12 CT C 0.27000 13 O1 OM -0.63500 13 O2 OM -0.63500 13 [ bonds ] N1 C2 gb_12 N1 C8A gb_12 C2 NA2 gb_9 C2 N3 gb_17 NA2 HA21 gb_2 NA2 HA22 gb_2 N3 HA3 gb_2 N3 C4 gb_17 C4 OA4 gb_5 C4 C4A gb_16 C4A N5 gb_17 C4A C8A gb_16 N5 HA5 gb_2 N5 C6 gb_23 C6 C7 gb_26 C6 C9 gb_27 C7 N8 gb_23 N8 HA8 gb_2 N8 C8A gb_17 C9 N10 gb_21 N10 H10 gb_2 N10 C14 gb_11 C14 C13 gb_16 C14 C15 gb_16 C13 C12 gb_16 C15 C16 gb_16 C12 C11 gb_16 C16 C11 gb_16 C11 C gb_27 C O gb_5 C N gb_10 N H gb_2 N CA gb_21 CA CB gb_27 CA CT gb_27 CB CG gb_27 CG CD gb_27 CD OE1 gb_6 CD OE2 gb_6 CT O1 gb_6 CT O2 gb_6 [ exclusions ] ; ai aj N1 HA3 N1 C4 N1 N5 C2 OA4 C2 C4A C2 N8 NA2 HA3 NA2 C4 NA2 C8A N3 N5 N3 C8A HA3 OA4 HA3 C4A C4 N8 OA4 N5 OA4 C8A N10 C12 N10 C16 C14 C11 C13 C16 C13 C C15 C12 C15 C [ angles ] ; ai aj ak gromos type C2 N1 C8A ga_27 N1 C2 NA2 ga_27 N1 C2 N3 ga_27 NA2 C2 N3 ga_27 C2 NA2 HA21 ga_23 C2 NA2 HA22 ga_23 HA21 NA2 HA22 ga_24 C2 N3 HA3 ga_25 C2 N3 C4 ga_27 HA3 N3 C4 ga_25 N3 C4 OA4 ga_27 N3 C4 C4A ga_27 OA4 C4 C4A ga_27 C4 C4A N5 ga_27 C4 C4A C8A ga_27 N5 C4A C8A ga_27 C4A N5 HA5 ga_25 C4A N5 C6 ga_27 HA5 N5 C6 ga_25 N5 C6 C7 ga_8 N5 C6 C9 ga_8 C7 C6 C9 ga_8 C6 C7 N8 ga_8 C7 N8 HA8 ga_25 C7 N8 C8A ga_27 HA8 N8 C8A ga_25 N1 C8A C4A ga_27 N1 C8A N8 ga_27 C4A C8A N8 ga_27 C6 C9 N10 ga_15 C9 N10 H10 ga_20 C9 N10 C14 ga_33 H10 N10 C14 ga_23 N10 C14 C13 ga_27 N10 C14 C15 ga_27 C13 C14 C15 ga_27 C14 C13 C12 ga_27 C14 C15 C16 ga_27 C13 C12 C11 ga_27 C15 C16 C11 ga_27 C12 C11 C16 ga_27 C12 C11 C ga_27 C16 C11 C ga_27 C11 C O ga_30 C11 C N ga_19 O C N ga_33 C N H ga_32 C N CA ga_31 H N CA ga_18 N CA CB ga_13 N CA CT ga_13 CB CA CT ga_13 CA CB CG ga_15 CB CG CD ga_15 CG CD OE1 ga_22 CG CD OE2 ga_22 OE1 CD OE2 ga_38 CA CT O1 ga_22 CA CT O2 ga_22 O1 CT O2 ga_38 [ impropers ] ; ai aj ak al gromos type N1 C2 N3 C4 gi_1 C2 N1 N3 NA2 gi_1 C2 N1 C8A C4A gi_1 C2 N3 C4 C4A gi_1 NA2 HA21 HA22 C2 gi_1 N3 C2 C4 HA3 gi_1 N3 C4 C4A C8A gi_1 C4 N3 C4A OA4 gi_1 C4 C4A C8A N1 gi_1 C4A C4 N5 C8A gi_1 C4A N5 C6 C7 gi_1 N5 C4A C6 HA5 gi_1 N5 C4A C8A N8 gi_1 N5 C6 C7 N8 gi_1 C6 N5 C7 C9 gi_1 C6 C7 N8 C8A gi_1 C7 N8 C8A C4A gi_1 N8 C7 C8A HA8 gi_1 C8A N1 C2 N3 gi_1 C8A N1 N8 C4A gi_1 C8A C4A N5 C6 gi_1 N10 C9 C14 H10 gi_1 C14 C13 C15 N10 gi_1 C14 C13 C12 C11 gi_1 C14 C15 C16 C11 gi_1 C13 C14 C15 C16 gi_1 C13 C12 C11 C16 gi_1 C15 C14 C13 C12 gi_1 C15 C16 C11 C12 gi_1 C11 C12 C16 C gi_1 C C11 N O gi_1 N C CA H gi_1 CA N CT CB gi_2 CD OE1 OE2 CG gi_1 CT CA O2 O1 gi_1 [ dihedrals ] ; ai aj ak al gromos type N1 C2 NA2 HA21 gd_14 N5 C6 C9 N10 gd_40 C6 C9 N10 C14 gd_39 C9 N10 C14 C13 gd_14 C12 C11 C N gd_10 C11 C N CA gd_14 C N CA CT gd_39 N CA CB CG gd_34 N CA CT O1 gd_40 CA CB CG CD gd_34 CB CG CD OE1 gd_40 [ TMP ] [ atoms ] N1 NR -0.36000 0 C2 C 0.36000 0 NA2 NT -0.83000 1 HA21 H 0.41500 1 HA22 H 0.41500 1 N3 NR -0.36000 2 C4 C 0.36000 2 NA4 NT -0.83000 3 HA41 H 0.41500 3 HA42 H 0.41500 3 C5 C 0.00000 4 C6 CR1 0.00000 4 C7 CH2 0.00000 4 C11 C 0.00000 5 C12 CR1 0.00000 5 C16 CR1 0.00000 5 C13 C 0.18000 6 O13 OA -0.36000 6 CM13 CH3 0.18000 6 C15 C 0.18000 7 O15 OA -0.36000 7 CM15 CH3 0.18000 7 C14 C 0.18000 8 O14 OA -0.36000 8 CM14 CH3 0.18000 8 [ bonds ] N1 C2 gb_12 N1 C6 gb_7 C2 NA2 gb_9 C2 N3 gb_12 NA2 HA21 gb_2 NA2 HA22 gb_2 N3 C4 gb_12 C4 NA4 gb_9 C4 C5 gb_16 NA4 HA41 gb_2 NA4 HA42 gb_2 C5 C6 gb_16 C5 C7 gb_27 C7 C11 gb_27 C11 C12 gb_16 C11 C16 gb_16 C12 C13 gb_16 C16 C15 gb_16 C13 O13 gb_13 C13 C14 gb_16 O13 CM13 gb_18 C15 O15 gb_13 C15 C14 gb_16 O15 CM15 gb_18 C14 O14 gb_13 O14 CM14 gb_18 [ exclusions ] ; ai aj N1 C4 N1 C7 C2 NA4 C2 C5 NA2 C4 NA2 C6 N3 C6 N3 C7 C7 C13 C7 C15 C11 O13 C11 O15 C11 C14 C12 C15 C12 O14 C16 C13 C16 O14 C13 O15 O13 C15 O13 O14 O15 O14 [ angles ] ; ai aj ak gromos type C2 N1 C6 ga_27 N1 C2 NA2 ga_27 N1 C2 N3 ga_27 NA2 C2 N3 ga_27 C2 NA2 HA21 ga_23 C2 NA2 HA22 ga_23 HA21 NA2 HA22 ga_24 C2 N3 C4 ga_27 N3 C4 NA4 ga_27 N3 C4 C5 ga_27 NA4 C4 C5 ga_27 C4 NA4 HA41 ga_23 C4 NA4 HA42 ga_23 HA41 NA4 HA42 ga_24 C4 C5 C6 ga_27 C4 C5 C7 ga_27 C6 C5 C7 ga_27 N1 C6 C5 ga_27 C5 C7 C11 ga_15 C7 C11 C12 ga_27 C7 C11 C16 ga_27 C12 C11 C16 ga_27 C11 C12 C13 ga_27 C11 C16 C15 ga_27 C12 C13 O13 ga_27 C12 C13 C14 ga_27 O13 C13 C14 ga_27 C13 O13 CM13 ga_20 C16 C15 O15 ga_27 C16 C15 C14 ga_27 O15 C15 C14 ga_27 C15 O15 CM15 ga_20 C13 C14 C15 ga_27 C13 C14 O14 ga_27 C15 C14 O14 ga_27 C14 O14 CM14 ga_20 [ impropers ] ; ai aj ak al gromos type N1 C2 N3 C4 gi_1 C2 N1 N3 NA2 gi_1 C2 N1 C6 C5 gi_1 C2 N3 C4 C5 gi_1 NA2 HA21 HA22 C2 gi_1 N3 C4 C5 C6 gi_1 C4 N3 C5 NA4 gi_1 C4 C5 C6 N1 gi_1 NA4 HA41 HA42 C4 gi_1 C5 C4 C6 C7 gi_1 C6 N1 C2 N3 gi_1 C11 C12 C16 C7 gi_1 C11 C12 C13 C14 gi_1 C11 C16 C15 C14 gi_1 C12 C11 C16 C15 gi_1 C12 C13 C14 C15 gi_1 C16 C11 C12 C13 gi_1 C16 C15 C14 C13 gi_1 C13 C12 O13 C14 gi_1 C15 C16 O15 C14 gi_1 C14 C13 O14 C15 gi_1 [ dihedrals ] ; ai aj ak al gromos type N1 C2 NA2 HA21 gd_14 C5 C4 NA4 HA41 gd_14 C4 C5 C7 C11 gd_40 C5 C7 C11 C12 gd_40 C12 C13 O13 CM13 gd_11 C12 C13 O13 CM13 gd_12 C16 C15 O15 CM15 gd_11 C16 C15 O15 CM15 gd_12 C13 C14 O14 CM14 gd_11 [ TMPH ] [ atoms ] N1 NR -0.28000 0 HA1 H 0.28000 0 C2 C 0.00000 0 NA2 NT -0.83000 1 HA21 H 0.41500 1 HA22 H 0.41500 1 N3 NR -0.36000 2 C4 C 0.36000 2 NA4 NT -0.83000 3 HA41 H 0.41500 3 HA42 H 0.41500 3 C5 C 0.00000 4 C6 CR1 0.00000 4 C7 CH2 0.00000 4 C11 C 0.00000 5 C12 CR1 0.00000 5 C16 CR1 0.00000 5 C13 C 0.18000 6 O13 OA -0.36000 6 CM13 CH3 0.18000 6 C15 C 0.18000 7 O15 OA -0.36000 7 CM15 CH3 0.18000 7 C14 C 0.18000 8 O14 OA -0.36000 8 CM14 CH3 0.18000 8 [ bonds ] N1 HA1 gb_2 N1 C2 gb_17 N1 C6 gb_17 C2 NA2 gb_9 C2 N3 gb_12 NA2 HA21 gb_2 NA2 HA22 gb_2 N3 C4 gb_12 C4 NA4 gb_9 C4 C5 gb_16 NA4 HA41 gb_2 NA4 HA42 gb_2 C5 C6 gb_16 C5 C7 gb_27 C7 C11 gb_27 C11 C12 gb_16 C11 C16 gb_16 C12 C13 gb_16 C16 C15 gb_16 C13 O13 gb_13 C13 C14 gb_16 O13 CM13 gb_18 C15 O15 gb_13 C15 C14 gb_16 O15 CM15 gb_18 C14 O14 gb_13 O14 CM14 gb_18 [ exclusions ] ; ai aj N1 C4 N1 C7 HA1 NA2 HA1 N3 HA1 C5 C2 NA4 C2 C5 NA2 C4 NA2 C6 N3 C6 N3 C7 NA4 C6 NA4 C7 C7 C13 C7 C15 C11 O13 C11 O15 C11 C14 C12 C15 C12 O14 C16 C13 C16 O14 C13 O15 O13 C15 O13 O14 O15 O14 [ angles ] ; ai aj ak gromos type HA1 N1 C2 ga_25 HA1 N1 C6 ga_25 C2 N1 C6 ga_27 N1 C2 NA2 ga_27 N1 C2 N3 ga_27 NA2 C2 N3 ga_27 C2 NA2 HA21 ga_23 C2 NA2 HA22 ga_23 HA21 NA2 HA22 ga_24 C2 N3 C4 ga_27 N3 C4 NA4 ga_27 N3 C4 C5 ga_27 NA4 C4 C5 ga_27 C4 NA4 HA41 ga_23 C4 NA4 HA42 ga_23 HA41 NA4 HA42 ga_24 C4 C5 C6 ga_27 C4 C5 C7 ga_27 C6 C5 C7 ga_27 N1 C6 C5 ga_27 C5 C7 C11 ga_15 C7 C11 C12 ga_27 C7 C11 C16 ga_27 C12 C11 C16 ga_27 C11 C12 C13 ga_27 C11 C16 C15 ga_27 C12 C13 O13 ga_27 C12 C13 C14 ga_27 O13 C13 C14 ga_27 C13 O13 CM13 ga_20 C16 C15 O15 ga_27 C16 C15 C14 ga_27 O15 C15 C14 ga_27 C15 O15 CM15 ga_20 C13 C14 C15 ga_27 C13 C14 O14 ga_27 C15 C14 O14 ga_27 C14 O14 CM14 ga_20 [ impropers ] ; ai aj ak al gromos type N1 C2 N3 C4 gi_1 N1 C2 C6 HA1 gi_1 C2 N1 N3 NA2 gi_1 C2 N1 C6 C5 gi_1 C2 N3 C4 C5 gi_1 NA2 HA21 HA22 C2 gi_1 N3 C4 C5 C6 gi_1 C4 N3 C5 NA4 gi_1 C4 C5 C6 N1 gi_1 NA4 HA41 HA42 C4 gi_1 C5 C4 C6 C7 gi_1 C6 N1 C2 N3 gi_1 C11 C12 C16 C7 gi_1 C11 C12 C13 C14 gi_1 C11 C16 C15 C14 gi_1 C12 C11 C16 C15 gi_1 C12 C13 C14 C15 gi_1 C16 C11 C12 C13 gi_1 C16 C15 C14 C13 gi_1 C13 C12 O13 C14 gi_1 C15 C16 O15 C14 gi_1 C14 C13 O14 C15 gi_1 [ dihedrals ] ; ai aj ak al gromos type N1 C2 NA2 HA21 gd_14 C5 C4 NA4 HA41 gd_14 C4 C5 C7 C11 gd_40 C5 C7 C11 C12 gd_40 C12 C13 O13 CM13 gd_11 C12 C13 O13 CM13 gd_12 C16 C15 O15 CM15 gd_11 C16 C15 O15 CM15 gd_12 C13 C14 O14 CM14 gd_11 [ TMPHP ] [ atoms ] N1 NR -0.36000 0 HA1 H 0.36000 0 C2 C 0.60000 0 NA2 NT -0.73000 1 HA21 H 0.41500 1 HA22 H 0.41500 1 N3 NR -0.36000 2 C4 C 0.36000 2 NA4 NT -0.83000 3 HA41 H 0.41500 3 HA42 H 0.41500 3 C5 C 0.10000 4 C6 CR1 0.20000 4 C7 CH2 0.00000 4 C11 C 0.00000 5 C12 CR1 0.00000 5 C16 CR1 0.00000 5 C13 C 0.18000 6 O13 OA -0.36000 6 CM13 CH3 0.18000 6 C15 C 0.18000 7 O15 OA -0.36000 7 CM15 CH3 0.18000 7 C14 C 0.18000 8 O14 OA -0.36000 8 CM14 CH3 0.18000 8 [ bonds ] N1 HA1 gb_2 N1 C2 gb_17 N1 C6 gb_17 C2 NA2 gb_9 C2 N3 gb_12 NA2 HA21 gb_2 NA2 HA22 gb_2 N3 C4 gb_12 C4 NA4 gb_9 C4 C5 gb_16 NA4 HA41 gb_2 NA4 HA42 gb_2 C5 C6 gb_16 C5 C7 gb_27 C7 C11 gb_27 C11 C12 gb_16 C11 C16 gb_16 C12 C13 gb_16 C16 C15 gb_16 C13 O13 gb_13 C13 C14 gb_16 O13 CM13 gb_18 C15 O15 gb_13 C15 C14 gb_16 O15 CM15 gb_18 C14 O14 gb_13 O14 CM14 gb_18 [ exclusions ] ; ai aj N1 C4 N1 C7 HA1 NA2 HA1 N3 HA1 C5 C2 NA4 C2 C5 NA2 C4 NA2 C6 N3 C6 N3 C7 NA4 C6 NA4 C7 C7 C13 C7 C15 C11 O13 C11 O15 C11 C14 C12 C15 C12 O14 C16 C13 C16 O14 C13 O15 O13 C15 O13 O14 O15 O14 [ angles ] ; ai aj ak gromos type HA1 N1 C2 ga_25 HA1 N1 C6 ga_25 C2 N1 C6 ga_27 N1 C2 NA2 ga_27 N1 C2 N3 ga_27 NA2 C2 N3 ga_27 C2 NA2 HA21 ga_23 C2 NA2 HA22 ga_23 HA21 NA2 HA22 ga_24 C2 N3 C4 ga_27 N3 C4 NA4 ga_27 N3 C4 C5 ga_27 NA4 C4 C5 ga_27 C4 NA4 HA41 ga_23 C4 NA4 HA42 ga_23 HA41 NA4 HA42 ga_24 C4 C5 C6 ga_27 C4 C5 C7 ga_27 C6 C5 C7 ga_27 N1 C6 C5 ga_27 C5 C7 C11 ga_15 C7 C11 C12 ga_27 C7 C11 C16 ga_27 C12 C11 C16 ga_27 C11 C12 C13 ga_27 C11 C16 C15 ga_27 C12 C13 O13 ga_27 C12 C13 C14 ga_27 O13 C13 C14 ga_27 C13 O13 CM13 ga_20 C16 C15 O15 ga_27 C16 C15 C14 ga_27 O15 C15 C14 ga_27 C15 O15 CM15 ga_20 C13 C14 C15 ga_27 C13 C14 O14 ga_27 C15 C14 O14 ga_27 C14 O14 CM14 ga_20 [ impropers ] ; ai aj ak al gromos type N1 C2 N3 C4 gi_1 N1 C2 C6 HA1 gi_1 C2 N1 N3 NA2 gi_1 C2 N1 C6 C5 gi_1 C2 N3 C4 C5 gi_1 NA2 HA21 HA22 C2 gi_1 N3 C4 C5 C6 gi_1 C4 N3 C5 NA4 gi_1 C4 C5 C6 N1 gi_1 NA4 HA41 HA42 C4 gi_1 C5 C4 C6 C7 gi_1 C6 N1 C2 N3 gi_1 C11 C12 C16 C7 gi_1 C11 C12 C13 C14 gi_1 C11 C16 C15 C14 gi_1 C12 C11 C16 C15 gi_1 C12 C13 C14 C15 gi_1 C16 C11 C12 C13 gi_1 C16 C15 C14 C13 gi_1 C13 C12 O13 C14 gi_1 C15 C16 O15 C14 gi_1 C14 C13 O14 C15 gi_1 [ dihedrals ] ; ai aj ak al gromos type N1 C2 NA2 HA21 gd_14 C5 C4 NA4 HA41 gd_14 C4 C5 C7 C11 gd_40 C5 C7 C11 C12 gd_40 C12 C13 O13 CM13 gd_11 C12 C13 O13 CM13 gd_12 C16 C15 O15 CM15 gd_11 C16 C15 O15 CM15 gd_12 C13 C14 O14 CM14 gd_11 [ PDG ] [ atoms ] P P 0.63000 0 O1P OM -0.63500 0 O2P OM -0.63500 0 O3P OA -0.54800 0 H3P H 0.39800 0 O4P OA -0.36000 0 C1 CH2 0.15000 0 C2 CH1 0.15000 1 O2 OA -0.54800 1 H2 H 0.39800 1 C3 C 0.27000 2 OT1 OM -0.63500 2 OT2 OM -0.63500 2 [ bonds ] P O1P gb_24 P O2P gb_24 P O3P gb_28 P O4P gb_28 O3P H3P gb_1 O4P C1 gb_18 C1 C2 gb_27 C2 O2 gb_18 C2 C3 gb_27 O2 H2 gb_1 C3 OT1 gb_6 C3 OT2 gb_6 [ exclusions ] ; ai aj O1P H3P O2P H3P H3P O4P [ angles ] ; ai aj ak gromos type O1P P O2P ga_29 O1P P O3P ga_14 O1P P O4P ga_14 O2P P O3P ga_14 O2P P O4P ga_14 O3P P O4P ga_5 P O3P H3P ga_12 P O4P C1 ga_26 O4P C1 C2 ga_15 C1 C2 O2 ga_15 C1 C2 C3 ga_13 O2 C2 C3 ga_13 C2 O2 H2 ga_12 C2 C3 OT1 ga_22 C2 C3 OT2 ga_22 OT1 C3 OT2 ga_38 [ impropers ] ; ai aj ak al gromos type C2 C1 C3 O2 gi_2 C3 C2 OT2 OT1 gi_1 [ dihedrals ] ; ai aj ak al gromos type O4P P O3P H3P gd_19 O4P P O3P H3P gd_22 O3P P O4P C1 gd_19 O3P P O4P C1 gd_22 P O4P C1 C2 gd_29 O4P C1 C2 C3 gd_34 C1 C2 O2 H2 gd_23 C1 C2 C3 OT1 gd_40 [ ATP ] [ atoms ] AN9 NR -0.20000 0 AC4 C 0.20000 0 AN3 NR -0.36000 1 AC2 CR1 0.36000 1 AN1 NR -0.36000 2 AC6 C 0.36000 2 AN6 NT -0.83000 3 AH61 H 0.41500 3 AH62 H 0.41500 3 AC5 C 0.00000 4 AN7 NR -0.36000 4 AC8 CR1 0.36000 4 AC1* CH1 0.20000 5 AO4* OA -0.36000 5 AC4* CH1 0.16000 5 AC2* CH1 0.15000 6 AO2* OA -0.54800 6 AH2* H 0.39800 6 AC3* CH1 0.15000 7 AO3* OA -0.54800 7 AH3* H 0.39800 7 AC5* CH2 0.00000 8 AO5* OA -0.36000 9 APA P 0.70500 9 AO1PA OM -0.63500 9 AO2PA OM -0.63500 9 AO3PA OA -0.36000 10 APB P 0.70500 10 AO1PB OM -0.63500 10 AO2PB OM -0.63500 10 AO3PB OA -0.36000 11 APG P 0.63000 11 AO1PG OM -0.63500 11 AO2PG OM -0.63500 11 AO3PG OA -0.54800 11 AH3PG H 0.39800 11 [ bonds ] AN9 AC4 gb_10 AN9 AC8 gb_10 AN9 AC1* gb_22 AC4 AN3 gb_12 AC4 AC5 gb_16 AN3 AC2 gb_7 AC2 AN1 gb_7 AN1 AC6 gb_12 AC6 AN6 gb_9 AC6 AC5 gb_16 AN6 AH61 gb_2 AN6 AH62 gb_2 AC5 AN7 gb_10 AN7 AC8 gb_10 AC1* AO4* gb_20 AC1* AC2* gb_26 AO4* AC4* gb_20 AC4* AC3* gb_26 AC4* AC5* gb_26 AC2* AO2* gb_20 AC2* AC3* gb_26 AO2* AH2* gb_1 AC3* AO3* gb_20 AO3* AH3* gb_1 AC5* AO5* gb_20 AO5* APA gb_28 APA AO1PA gb_24 APA AO2PA gb_24 APA AO3PA gb_28 AO3PA APB gb_28 APB AO1PB gb_24 APB AO2PB gb_24 APB AO3PB gb_28 AO3PB APG gb_28 APG AO1PG gb_24 APG AO2PG gb_24 APG AO3PG gb_28 AO3PG AH3PG gb_1 [ exclusions ] ; ai aj AN9 AC2 AN9 AC6 AC4 AN1 AC4 AN6 AN3 AC6 AN3 AN7 AN3 AC8 AN3 AC1* AC2 AN6 AC2 AC5 AN1 AN7 AC6 AC8 AC5 AC1* AN7 AC1* AO3PB AH3PG AO1PG AH3PG AO2PG AH3PG [ angles ] ; ai aj ak gromos type AC4 AN9 AC8 ga_7 AC4 AN9 AC1* ga_37 AC8 AN9 AC1* ga_37 AN9 AC4 AN3 ga_39 AN9 AC4 AC5 ga_7 AN3 AC4 AC5 ga_27 AC4 AN3 AC2 ga_27 AN3 AC2 AN1 ga_27 AC2 AN1 AC6 ga_27 AN1 AC6 AN6 ga_27 AN1 AC6 AC5 ga_27 AN6 AC6 AC5 ga_27 AC6 AN6 AH61 ga_23 AC6 AN6 AH62 ga_23 AH61 AN6 AH62 ga_24 AC4 AC5 AC6 ga_27 AC4 AC5 AN7 ga_7 AC6 AC5 AN7 ga_39 AC5 AN7 AC8 ga_7 AN9 AC8 AN7 ga_7 AN9 AC1* AO4* ga_9 AN9 AC1* AC2* ga_9 AO4* AC1* AC2* ga_9 AC1* AO4* AC4* ga_10 AO4* AC4* AC3* ga_9 AO4* AC4* AC5* ga_9 AC3* AC4* AC5* ga_8 AC1* AC2* AO2* ga_9 AC1* AC2* AC3* ga_8 AO2* AC2* AC3* ga_9 AC2* AO2* AH2* ga_12 AC4* AC3* AC2* ga_8 AC4* AC3* AO3* ga_9 AC2* AC3* AO3* ga_9 AC3* AO3* AH3* ga_12 AC4* AC5* AO5* ga_9 AC5* AO5* APA ga_26 AO5* APA AO1PA ga_14 AO5* APA AO2PA ga_14 AO5* APA AO3PA ga_5 AO1PA APA AO2PA ga_29 AO1PA APA AO3PA ga_14 AO2PA APA AO3PA ga_14 APA AO3PA APB ga_26 AO3PA APB AO1PB ga_14 AO3PA APB AO2PB ga_14 AO3PA APB AO3PB ga_5 AO1PB APB AO2PB ga_29 AO1PB APB AO3PB ga_14 AO2PB APB AO3PB ga_14 APB AO3PB APG ga_26 AO3PB APG AO1PG ga_14 AO3PB APG AO2PG ga_14 AO3PB APG AO3PG ga_5 AO1PG APG AO2PG ga_29 AO1PG APG AO3PG ga_14 AO2PG APG AO3PG ga_14 APG AO3PG AH3PG ga_12 [ impropers ] ; ai aj ak al gromos type AN9 AC4 AC5 AN7 gi_1 AC4 AN9 AN3 AC5 gi_1 AC4 AN9 AC8 AN7 gi_1 AC4 AN3 AC2 AN1 gi_1 AC4 AC5 AN7 AC8 gi_1 AN3 AC4 AC5 AC6 gi_1 AN3 AC2 AN1 AC6 gi_1 AC2 AN1 AC6 AC5 gi_1 AN1 AC6 AC5 AC4 gi_1 AN6 AN1 AC5 AC6 gi_1 AN6 AH61 AH62 AC6 gi_1 AC5 AC4 AN3 AC2 gi_1 AC5 AC6 AN7 AC4 gi_1 AC5 AN7 AC8 AN9 gi_1 AC8 AN9 AC4 AC5 gi_1 AC1* AN9 AO4* AC2* gi_2 AC1* AC4 AC8 AN9 gi_1 AC4* AO4* AC5* AC3* gi_2 AC2* AO2* AC3* AC1* gi_2 AC3* AC2* AO3* AC4* gi_2 [ dihedrals ] ; ai aj ak al gromos type AC4 AN9 AC1* AO4* gd_16 AC5 AC6 AN6 AH61 gd_14 AC2* AC1* AO4* AC4* gd_29 AN9 AC1* AC2* AO2* gd_17 AO4* AC1* AC2* AO2* gd_18 AO4* AC1* AC2* AC3* gd_17 AO4* AC1* AC2* AC3* gd_34 AC1* AO4* AC4* AC3* gd_29 AO4* AC4* AC3* AC2* gd_17 AO4* AC4* AC3* AO3* gd_18 AC5* AC4* AC3* AC2* gd_34 AC5* AC4* AC3* AO3* gd_17 AO4* AC4* AC5* AO5* gd_18 AC3* AC4* AC5* AO5* gd_17 AC3* AC4* AC5* AO5* gd_34 AC1* AC2* AO2* AH2* gd_23 AC1* AC2* AC3* AC4* gd_34 AC1* AC2* AC3* AO3* gd_17 AO2* AC2* AC3* AC4* gd_17 AO2* AC2* AC3* AO3* gd_18 AC4* AC3* AO3* AH3* gd_23 AC4* AC5* AO5* APA gd_29 AC5* AO5* APA AO3PA gd_19 AC5* AO5* APA AO3PA gd_22 AO5* APA AO3PA APB gd_19 AO5* APA AO3PA APB gd_22 APA AO3PA APB AO3PB gd_19 APA AO3PA APB AO3PB gd_22 AO3PA APB AO3PB APG gd_19 AO3PA APB AO3PB APG gd_22 APB AO3PB APG AO3PG gd_19 APB AO3PB APG AO3PG gd_22 AO3PB APG AO3PG AH3PG gd_19 AO3PB APG AO3PG AH3PG gd_22 [ PMB ] [ atoms ] PC8 CH3 0.00000 0 PC5 C 0.00000 0 PC4 CR1 0.00000 0 PC6 CR1 0.00000 0 PC3 CR1 0.00000 1 PC7 CR1 0.00000 1 PC2 C 0.00000 1 PC1 CH0 0.00000 2 PO OM -0.60000 2 PHC1 HC -0.20000 2 PHC2 HC -0.20000 2 [ bonds ] PC8 PC5 gb_27 PC5 PC4 gb_16 PC5 PC6 gb_16 PC4 PC3 gb_16 PC6 PC7 gb_16 PC3 PC2 gb_16 PC7 PC2 gb_16 PC2 PC1 gb_27 PC1 PO gb_19 PC1 PHC1 gb_3 PC1 PHC2 gb_3 [ exclusions ] ; ai aj PC8 PC3 PC8 PC7 PC5 PC2 PC4 PC7 PC4 PC1 PC6 PC3 PC6 PC1 [ angles ] ; ai aj ak gromos type PC8 PC5 PC4 ga_27 PC8 PC5 PC6 ga_27 PC4 PC5 PC6 ga_27 PC5 PC4 PC3 ga_27 PC5 PC6 PC7 ga_27 PC4 PC3 PC2 ga_27 PC6 PC7 PC2 ga_27 PC3 PC2 PC7 ga_27 PC3 PC2 PC1 ga_27 PC7 PC2 PC1 ga_27 PC2 PC1 PO ga_13 PC2 PC1 PHC1 ga_11 PC2 PC1 PHC2 ga_11 PO PC1 PHC1 ga_11 PO PC1 PHC2 ga_11 PHC1 PC1 PHC2 ga_10 [ impropers ] ; ai aj ak al gromos type PC5 PC4 PC6 PC8 gi_1 PC5 PC4 PC3 PC2 gi_1 PC5 PC6 PC7 PC2 gi_1 PC4 PC5 PC6 PC7 gi_1 PC4 PC3 PC2 PC7 gi_1 PC6 PC5 PC4 PC3 gi_1 PC6 PC7 PC2 PC3 gi_1 PC2 PC3 PC7 PC1 gi_1 [ dihedrals ] ; ai aj ak al gromos type PC3 PC2 PC1 PO gd_40 [ PMBH ] [ atoms ] PC8 CH3 0.00000 0 PC5 C 0.00000 0 PC4 CR1 0.00000 0 PC6 CR1 0.00000 0 PC3 CR1 0.00000 1 PC7 CR1 0.00000 1 PC2 C 0.00000 1 PC1 CH0 -0.05000 2 PO OA -0.54800 2 PH H 0.39800 2 PHC1 HC 0.10000 2 PHC2 HC 0.10000 2 [ bonds ] PC8 PC5 gb_27 PC5 PC4 gb_16 PC5 PC6 gb_16 PC4 PC3 gb_16 PC6 PC7 gb_16 PC3 PC2 gb_16 PC7 PC2 gb_16 PC2 PC1 gb_27 PC1 PO gb_13 PC1 PHC1 gb_3 PC1 PHC2 gb_3 PO PH gb_1 [ exclusions ] ; ai aj PC8 PC3 PC8 PC7 PC5 PC2 PC4 PC7 PC4 PC1 PC6 PC3 PC6 PC1 [ angles ] ; ai aj ak gromos type PC8 PC5 PC4 ga_27 PC8 PC5 PC6 ga_27 PC4 PC5 PC6 ga_27 PC5 PC4 PC3 ga_27 PC5 PC6 PC7 ga_27 PC4 PC3 PC2 ga_27 PC6 PC7 PC2 ga_27 PC3 PC2 PC7 ga_27 PC3 PC2 PC1 ga_27 PC7 PC2 PC1 ga_27 PC2 PC1 PO ga_13 PC2 PC1 PHC1 ga_11 PC2 PC1 PHC2 ga_11 PO PC1 PHC1 ga_11 PO PC1 PHC2 ga_11 PHC1 PC1 PHC2 ga_10 PC1 PO PH ga_12 [ impropers ] ; ai aj ak al gromos type PC5 PC4 PC6 PC8 gi_1 PC5 PC4 PC3 PC2 gi_1 PC5 PC6 PC7 PC2 gi_1 PC4 PC5 PC6 PC7 gi_1 PC4 PC3 PC2 PC7 gi_1 PC6 PC5 PC4 PC3 gi_1 PC6 PC7 PC2 PC3 gi_1 PC2 PC3 PC7 PC1 gi_1 [ dihedrals ] ; ai aj ak al gromos type PC3 PC2 PC1 PO gd_40 PC2 PC1 PO PH gd_23 [ BA ] [ atoms ] C3 C -0.10000 0 H3 HC 0.10000 0 C2 C -0.10000 1 H2 HC 0.10000 1 C4 C -0.10000 2 H4 HC 0.10000 2 C1 C -0.10000 3 H1 HC 0.10000 3 C5 C -0.10000 4 H5 HC 0.10000 4 C6 C 0.00000 5 C7 C 0.53000 6 O8 O -0.38000 6 O9 OA -0.54800 6 H9 H 0.39800 6 [ bonds ] C3 H3 gb_3 C3 C2 gb_16 C3 C4 gb_16 C2 H2 gb_3 C2 C1 gb_16 C4 H4 gb_3 C4 C5 gb_16 C1 H1 gb_3 C1 C6 gb_16 C5 H5 gb_3 C5 C6 gb_16 C6 C7 gb_23 C7 O8 gb_5 C7 O9 gb_13 O9 H9 gb_1 [ exclusions ] ; ai aj C3 H1 C3 H5 C3 C6 H3 H2 H3 H4 H3 C1 H3 C5 C2 H4 C2 C5 C2 C7 H2 C4 H2 H1 H2 C6 C4 C1 C4 C7 H4 H5 H4 C6 C1 H5 H1 C5 H1 C7 H5 C7 [ angles ] ; ai aj ak gromos type H3 C3 C2 ga_25 H3 C3 C4 ga_25 C2 C3 C4 ga_27 C3 C2 H2 ga_25 C3 C2 C1 ga_27 H2 C2 C1 ga_25 C3 C4 H4 ga_25 C3 C4 C5 ga_27 H4 C4 C5 ga_25 C2 C1 H1 ga_25 C2 C1 C6 ga_27 H1 C1 C6 ga_25 C4 C5 H5 ga_25 C4 C5 C6 ga_27 H5 C5 C6 ga_25 C1 C6 C5 ga_27 C1 C6 C7 ga_27 C5 C6 C7 ga_27 C6 C7 O8 ga_30 C6 C7 O9 ga_19 O8 C7 O9 ga_33 C7 O9 H9 ga_12 [ impropers ] ; ai aj ak al gromos type C3 C2 C4 H3 gi_1 C3 C2 C1 C6 gi_1 C3 C4 C5 C6 gi_1 C2 C3 C4 C5 gi_1 C2 C1 C6 C5 gi_1 H2 C3 C1 C2 gi_1 C4 C3 C2 C1 gi_1 C4 C5 C6 C1 gi_1 H4 C3 C5 C4 gi_1 C1 C2 C6 H1 gi_1 C5 C4 C6 H5 gi_1 C6 C1 C5 C7 gi_1 C7 O8 O9 C6 gi_1 [ dihedrals ] ; ai aj ak al gromos type C1 C6 C7 O9 gd_10 C6 C7 O9 H9 gd_12 [ RTOL ] [ atoms ] C18 CH3 0.00000 0 C17 CH3 0.00000 0 C1 CH0 0.00000 0 C2 CH2R 0.00000 1 C3 CH2R 0.00000 1 C4 CH2R 0.00000 1 C5 C 0.00000 2 C16 CH3 0.00000 2 C6 C 0.00000 2 C7 CR1 0.00000 3 C8 CR1 0.00000 3 C9 C 0.00000 4 C19 CH3 0.00000 4 C10 CR1 0.00000 4 C11 CR1 0.00000 5 C12 CR1 0.00000 5 C13 C 0.00000 6 C20 CH3 0.00000 6 C14 CR1 0.00000 6 C15 CH2 0.15000 7 O21 OA -0.54800 7 H21 H 0.39800 7 [ bonds ] C18 C1 gb_27 C17 C1 gb_27 C1 C2 gb_27 C1 C6 gb_27 C2 C3 gb_27 C3 C4 gb_27 C4 C5 gb_27 C5 C16 gb_27 C5 C6 gb_10 C6 C7 gb_23 C7 C8 gb_13 C8 C9 gb_23 C9 C19 gb_27 C9 C10 gb_13 C10 C11 gb_23 C11 C12 gb_13 C12 C13 gb_23 C13 C20 gb_27 C13 C14 gb_13 C14 C15 gb_23 C15 O21 gb_18 O21 H21 gb_1 [ angles ] ; ai aj ak gromos type C18 C1 C17 ga_13 C18 C1 C2 ga_13 C18 C1 C6 ga_13 C17 C1 C2 ga_13 C17 C1 C6 ga_13 C2 C1 C6 ga_13 C1 C2 C3 ga_13 C2 C3 C4 ga_13 C3 C4 C5 ga_13 C4 C5 C16 ga_27 C4 C5 C6 ga_27 C16 C5 C6 ga_27 C1 C6 C5 ga_27 C1 C6 C7 ga_27 C5 C6 C7 ga_27 C6 C7 C8 ga_27 C7 C8 C9 ga_27 C8 C9 C19 ga_27 C8 C9 C10 ga_27 C19 C9 C10 ga_27 C9 C10 C11 ga_27 C10 C11 C12 ga_27 C11 C12 C13 ga_27 C12 C13 C20 ga_27 C12 C13 C14 ga_27 C20 C13 C14 ga_27 C13 C14 C15 ga_27 C14 C15 O21 ga_13 C15 O21 H21 ga_12 [ impropers ] ; ai aj ak al gromos type C5 C4 C6 C16 gi_1 C6 C1 C7 C5 gi_1 C9 C8 C10 C19 gi_1 C13 C12 C14 C20 gi_1 [ dihedrals ] ; ai aj ak al gromos type C6 C1 C2 C3 gd_34 C2 C1 C6 C5 gd_34 C1 C2 C3 C4 gd_34 C2 C3 C4 C5 gd_34 C3 C4 C5 C6 gd_34 C4 C5 C6 C1 gd_14 C5 C6 C7 C8 gd_34 C6 C7 C8 C9 gd_14 C7 C8 C9 C10 gd_12 C8 C9 C10 C11 gd_14 C9 C10 C11 C12 gd_12 C10 C11 C12 C13 gd_14 C11 C12 C13 C14 gd_12 C12 C13 C14 C15 gd_14 C13 C14 C15 O21 gd_40 C14 C15 O21 H21 gd_23 [ TEMP ] [ atoms ] O1 O -0.20000 0 N1 NR -0.03600 0 C1 CH0 0.11800 0 C4 CH0 0.11800 0 CA C 0.00000 1 C3 CR1 0.00000 1 C6 CH3 0.00000 2 C7 CH3 0.00000 3 C8 CH3 0.00000 4 C9 CH3 0.00000 5 C5 C 0.38000 6 O5 O -0.38000 6 [ bonds ] O1 N1 gb_6 N1 C1 gb_22 N1 C4 gb_22 C1 CA gb_25 C1 C6 gb_26 C1 C7 gb_26 C4 C3 gb_25 C4 C8 gb_26 C4 C9 gb_26 CA C3 gb_7 CA C5 gb_23 C5 O5 gb_5 C5 +N gb_10 [ exclusions ] ; ai aj O1 CA O1 C3 O1 C6 O1 C7 O1 C8 O1 C9 N1 C5 C1 C8 C1 C9 C4 C6 C4 C7 C4 C5 CA C8 CA C9 C3 C6 C3 C7 C6 C5 C7 C5 [ angles ] ; ai aj ak gromos type O1 N1 C1 ga_31 O1 N1 C4 ga_31 C1 N1 C4 ga_19 N1 C1 CA ga_3 N1 C1 C6 ga_13 N1 C1 C7 ga_13 CA C1 C6 ga_16 CA C1 C7 ga_16 C6 C1 C7 ga_15 N1 C4 C3 ga_3 N1 C4 C8 ga_13 N1 C4 C9 ga_13 C3 C4 C8 ga_16 C3 C4 C9 ga_16 C8 C4 C9 ga_15 C1 CA C3 ga_16 C1 CA C5 ga_31 C3 CA C5 ga_35 C4 C3 CA ga_16 CA C5 O5 ga_30 CA C5 +N ga_19 O5 C5 +N ga_33 [ impropers ] ; ai aj ak al gromos type N1 C1 C4 O1 gi_1 N1 C1 CA C3 gi_1 N1 C4 C3 CA gi_1 C1 N1 C4 C3 gi_1 C1 CA C3 C4 gi_1 C4 N1 C1 CA gi_1 CA C1 C3 C5 gi_1 C5 CA +N O5 gi_1 [ dihedrals ] ; ai aj ak al gromos type C3 CA C5 +N gd_14 [ ETH ] [ atoms ] EO OM -0.60000 0 EC1 CH2 -0.40000 0 EC2 CH3 0.00000 0 [ bonds ] EO EC1 gb_19 EC1 EC2 gb_27 [ angles ] ; ai aj ak gromos type EO EC1 EC2 ga_13 [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ ETHH ] [ atoms ] EH H 0.40800 0 EO OA -0.67400 0 EC1 CH2 0.26600 0 EC2 CH3 0.00000 1 [ bonds ] EH EO gb_1 EO EC1 gb_18 EC1 EC2 gb_27 [ angles ] ; ai aj ak gromos type EH EO EC1 ga_12 EO EC1 EC2 ga_15 [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type EH EO EC1 EC2 gd_23 [ CH4 ] [ atoms ] CM CH4 0.00000 0 [ bonds ] [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ AR ] [ atoms ] AR AR 0.00000 0 [ bonds ] [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ SO42- ] [ atoms ] S S 0.54000 0 O1 OM -0.63500 0 O2 OM -0.63500 0 O3 OM -0.63500 0 O4 OM -0.63500 0 [ bonds ] S O1 gb_25 S O2 gb_25 S O3 gb_25 S O4 gb_25 [ angles ] ; ai aj ak gromos type O1 S O2 ga_13 O1 S O3 ga_13 O1 S O4 ga_13 O2 S O3 ga_13 O2 S O4 ga_13 O3 S O4 ga_13 [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ ZN2+ ] [ atoms ] ZN ZN2+ 2.00000 0 [ bonds ] [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ NA+ ] [ atoms ] NA NA+ 1.00000 0 [ bonds ] [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ CL- ] [ atoms ] CL CL- -1.00000 0 [ bonds ] [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ CA2+ ] [ atoms ] CA CA2+ 2.00000 0 [ bonds ] [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ MG2+ ] [ atoms ] MG MG2+ 2.00000 0 [ bonds ] [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ CU1+ ] [ atoms ] CU CU1+ 1.00000 0 [ bonds ] [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ CU2+ ] [ atoms ] CU CU2+ 2.00000 0 [ bonds ] [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ H2O ] [ atoms ] OW OW -0.82000 0 HW1 H 0.41000 0 HW2 H 0.41000 0 [ bonds ] OW HW1 gb_38 OW HW2 gb_38 HW1 HW2 gb_46 [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ HOH ] [ atoms ] OW OW -0.82000 0 HW1 H 0.41000 0 HW2 H 0.41000 0 [ bonds ] OW HW1 gb_38 OW HW2 gb_38 HW1 HW2 gb_46 [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ H2OE ] [ atoms ] OW OW -0.84760 0 HW1 H 0.42380 0 HW2 H 0.42380 0 [ bonds ] OW HW1 gb_38 OW HW2 gb_38 HW1 HW2 gb_46 [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ CHCL3 ] [ atoms ] CChl CCHL 0.17900 0 HChl HCHL 0.08200 0 CLCh1 CLCHL -0.08700 0 CLCh2 CLCHL -0.08700 0 CLCh3 CLCHL -0.08700 0 [ bonds ] CChl CLCh1 gb_40 CChl CLCh2 gb_40 CChl CLCh3 gb_40 HChl CLCh1 gb_47 HChl CLCh2 gb_47 HChl CLCh3 gb_47 CLCh1 CLCh2 gb_48 CLCh1 CLCh3 gb_48 CLCh2 CLCh3 gb_48 [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ DMSO ] [ atoms ] SDmso SDMSO 0.12753 0 ODmso ODMSO -0.44753 0 CDms1 CDMSO 0.16000 0 CDms2 CDMSO 0.16000 0 [ bonds ] SDmso ODmso gb_41 SDmso CDms1 gb_42 SDmso CDms2 gb_42 ODmso CDms1 gb_49 ODmso CDms2 gb_49 CDms1 CDms2 gb_50 [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ CH3OH ] [ atoms ] Omet OMET -0.67400 0 HMet H 0.40800 0 CMet CMET 0.26600 0 [ bonds ] Omet HMet gb_1 Omet CMet gb_27 HMet CMet gb_51 [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ CCL4 ] [ atoms ] CCl4 CCL4 0.00000 0 CLCl1 CLCL4 0.00000 0 CLCl2 CLCL4 0.00000 0 CLCl3 CLCL4 0.00000 0 CLCl4 CLCL4 0.00000 0 [ bonds ] CCl4 CLCl1 gb_43 CCl4 CLCl2 gb_43 CCl4 CLCl3 gb_43 CCl4 CLCl4 gb_43 CLCl1 CLCl2 gb_52 CLCl1 CLCl3 gb_52 CLCl1 CLCl4 gb_52 CLCl2 CLCl3 gb_52 CLCl2 CLCl4 gb_52 [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ TFE ] [ atoms ] HT H 0.41000 0 OT OTFE -0.62500 0 CH2T CHTFE 0.27300 0 CT CTFE 0.45200 0 F1T FTFE -0.17000 0 F2T FTFE -0.17000 0 F3T FTFE -0.17000 0 [ bonds ] HT OT gb_1 OT CH2T gb_18 CH2T CT gb_27 CT F1T gb_13 CT F2T gb_13 CT F3T gb_13 [ angles ] ; ai aj ak gromos type HT OT CH2T ga_50 OT CH2T CT ga_51 CH2T CT F1T ga_52 CH2T CT F2T ga_52 CH2T CT F3T ga_52 F1T CT F2T ga_49 F1T CT F3T ga_49 F2T CT F3T ga_49 [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type HT OT CH2T CT gd_24 [ UREA ] [ atoms ] OU OUREA -0.39000 0 CU CUREA 0.14200 0 N1U NUREA -0.54200 0 H11U H 0.33300 0 H12U H 0.33300 0 N2U NUREA -0.54200 0 H21U H 0.33300 0 H22U H 0.33300 0 [ bonds ] OU CU gb_44 CU N1U gb_45 CU N2U gb_45 N1U H11U gb_2 N1U H12U gb_2 N2U H21U gb_2 N2U H22U gb_2 [ exclusions ] ; ai aj OU H11U OU H12U OU H21U OU H22U N1U H21U N1U H22U H11U N2U H11U H21U H11U H22U H12U N2U H12U H21U H12U H22U [ angles ] ; ai aj ak gromos type OU CU N1U ga_54 OU CU N2U ga_54 N1U CU N2U ga_53 CU N1U H11U ga_23 CU N1U H12U ga_23 H11U N1U H12U ga_24 CU N2U H21U ga_23 CU N2U H22U ga_23 H21U N2U H22U ga_24 [ impropers ] ; ai aj ak al gromos type CU N1U N2U OU gi_1 N1U H11U H12U CU gi_1 N2U H21U H22U CU gi_1 [ dihedrals ] ; ai aj ak al gromos type OU CU N1U H11U gd_15 OU CU N2U H21U gd_15