[ bondedtypes ] ; bonds angles dihedrals impropers 2 2 1 2 [ ACE ] [ atoms ] CA CH3 0.000 0 C C 0.380 1 O O -0.380 1 [ bonds ] C CA gb_26 C O gb_4 C +N gb_9 [ angles ] CA C +N ga_18 O C +N ga_32 [ 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_8 [ angles ] -O -C N ga_32 -CA -C N ga_18 -C N H1 ga_22 -C N H2 ga_22 H1 N H2 ga_23 [ dihedrals ] -CA -C N H1 gd_4 [ impropers ] -C -O N -CA gi_1 N H1 H2 -C gi_1 [ ALA ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH3 0.00000 1 C C 0.380 2 O O -0.380 2 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 [ ARG ] [ atoms ] N N -0.28000 0 H H 0.28000 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 0.380 3 O O -0.380 3 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG CD gb_26 CD NE gb_20 NE HE gb_2 NE CZ gb_10 CZ NH1 gb_10 CZ NH2 gb_10 NH1 HH11 gb_2 NH1 HH12 gb_2 NH2 HH21 gb_2 NH2 HH22 gb_2 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG CD ga_14 CG CD NE ga_12 CD NE HE ga_19 HE NE CZ ga_22 CD NE CZ ga_32 NE CZ NH1 ga_27 NE CZ NH2 ga_27 NH1 CZ NH2 ga_27 CZ NH1 HH11 ga_22 CZ NH1 HH12 ga_22 HH11 NH1 HH12 ga_23 CZ NH2 HH21 ga_22 CZ NH2 HH22 ga_22 HH21 NH2 HH22 ga_23 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O 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 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG CD gd_17 CB CG CD NE gd_17 CG CD NE CZ gd_19 CD NE CZ NH1 gd_4 NE CZ NH1 HH11 gd_4 NE CZ NH2 HH21 gd_4 [ ARGN ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH2 0.00000 2 CD CH2 0.00000 2 NE NE -0.28000 3 HE H 0.28000 3 CZ C 0.15000 4 NH1 NE -0.54800 4 HH1 H 0.39800 4 NH2 NZ -0.83000 5 HH21 H 0.41500 5 HH22 H 0.41500 5 C C 0.380 6 O O -0.380 6 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG CD gb_26 CD NE gb_20 NE HE gb_2 NE CZ gb_10 CZ NH1 gb_10 CZ NH2 gb_10 NH1 HH1 gb_2 NH2 HH21 gb_2 NH2 HH22 gb_2 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG CD ga_14 CG CD NE ga_12 CD NE HE ga_19 HE NE CZ ga_22 CD NE CZ ga_32 NE CZ NH1 ga_27 NE CZ NH2 ga_27 NH1 CZ NH2 ga_27 CZ NH1 HH1 ga_22 CZ NH2 HH21 ga_22 CZ NH2 HH22 ga_22 HH21 NH2 HH22 ga_23 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O 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 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG CD gd_17 CB CG CD NE gd_17 CG CD NE CZ gd_19 CD NE CZ NH1 gd_4 NE CZ NH1 HH1 gd_4 NE CZ NH2 HH21 gd_4 [ ASN ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.38000 2 OD1 O -0.38000 2 ND2 NT -0.83000 3 HD21 H 0.41500 3 HD22 H 0.41500 3 C C 0.380 4 O O -0.380 4 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG OD1 gb_4 CG ND2 gb_8 ND2 HD21 gb_2 ND2 HD22 gb_2 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG OD1 ga_29 CB CG ND2 ga_18 OD1 CG ND2 ga_32 CG ND2 HD21 ga_22 CG ND2 HD22 ga_22 HD21 ND2 HD22 ga_23 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CG OD1 ND2 CB gi_1 ND2 HD21 HD22 CG gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG ND2 gd_20 CB CG ND2 HD21 gd_4 [ ASN1 ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.38000 2 OD1 O -0.38000 2 ND2 NL -0.83000 3 HD21 H 0.41500 3 HD22 H 0.41500 3 C C 0.380 4 O O -0.380 4 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG OD1 gb_4 CG ND2 gb_8 ND2 HD21 gb_2 ND2 HD22 gb_2 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG OD1 ga_29 CB CG ND2 ga_18 OD1 CG ND2 ga_32 CG ND2 HD21 ga_22 CG ND2 HD22 ga_22 HD21 ND2 HD22 ga_23 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CG OD1 ND2 CB gi_1 ND2 HD21 HD22 CG gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG ND2 gd_20 CB CG ND2 HD21 gd_4 [ ASP ] [ atoms ] N N -0.28000 0 H H 0.28000 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 0.380 3 O O -0.380 3 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG OD1 gb_5 CG OD2 gb_5 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG OD1 ga_21 CB CG OD2 ga_21 OD1 CG OD2 ga_37 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CG OD1 OD2 CB gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG OD1 gd_20 [ ASPH ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.53000 2 OD1 O -0.38000 2 OD2 OA -0.54800 2 HD2 H 0.39800 2 C C 0.380 3 O O -0.380 3 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG OD1 gb_4 CG OD2 gb_12 OD2 HD2 gb_1 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG OD1 ga_29 CB CG OD2 ga_18 OD1 CG OD2 ga_32 CG OD2 HD2 ga_11 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CG OD1 OD2 CB gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG OD2 gd_20 CB CG OD2 HD2 gd_3 [ CYS ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 -0.10000 2 SG S -0.40000 2 C C 0.380 3 O O -0.380 3 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB SG gb_30 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB SG ga_15 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB SG gd_17 [ CYSH ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 SG S -0.06400 2 HG H 0.06400 2 C C 0.380 3 O O -0.380 3 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB SG gb_30 SG HG gb_7 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB SG ga_15 CB SG HG ga_2 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB SG gd_17 CA CB SG HG gd_13 [ CYS1 ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 SG S 0.00000 1 C C 0.380 2 O O -0.380 2 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB SG gb_30 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB SG ga_15 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB SG gd_17 [ CYS2 ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 SG S 0.00000 1 C C 0.380 2 O O -0.380 2 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB SG gb_30 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB SG ga_15 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB SG gd_17 [ GLN ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH2 0.00000 1 CD C 0.38000 2 OE1 O -0.38000 2 NE2 NT -0.83000 3 HE21 H 0.41500 3 HE22 H 0.41500 3 C C 0.380 4 O O -0.380 4 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG CD gb_26 CD OE1 gb_4 CD NE2 gb_8 NE2 HE21 gb_2 NE2 HE22 gb_2 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG CD ga_14 CG CD OE1 ga_29 CG CD NE2 ga_18 OE1 CD NE2 ga_32 CD NE2 HE21 ga_22 CD NE2 HE22 ga_22 HE21 NE2 HE22 ga_23 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CD OE1 NE2 CG gi_1 NE2 HE21 HE22 CD gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG CD gd_17 CB CG CD NE2 gd_20 CG CD NE2 HE21 gd_4 [ GLU ] [ atoms ] N N -0.28000 0 H H 0.28000 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 0.380 3 O O -0.380 3 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG CD gb_26 CD OE1 gb_5 CD OE2 gb_5 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG CD ga_14 CG CD OE1 ga_21 CG CD OE2 ga_21 OE1 CD OE2 ga_37 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CD OE1 OE2 CG gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG CD gd_17 CB CG CD OE2 gd_20 [ GLUH ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH2 0.00000 1 CD C 0.53000 2 OE1 O -0.38000 2 OE2 OA -0.54800 2 HE2 H 0.39800 2 C C 0.380 3 O O -0.380 3 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG CD gb_26 CD OE1 gb_4 CD OE2 gb_12 OE2 HE2 gb_1 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG CD ga_14 CG CD OE1 ga_29 CG CD OE2 ga_18 OE1 CD OE2 ga_32 CD OE2 HE2 ga_11 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CD OE1 OE2 CG gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG CD gd_17 CB CG CD OE2 gd_20 CG CD OE2 HE2 gd_3 [ GLY ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH2 0.00000 1 C C 0.380 2 O O -0.380 2 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 [ 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_4 -C N CA C gd_19 N CA C +N gd_20 [ HISA ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.00000 2 ND1 NR 0.00000 2 HD1 H 0.19000 2 CD2 CR1 0.13000 2 CE1 CR1 0.26000 2 NE2 NR -0.58000 2 C C 0.380 3 O O -0.380 3 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG ND1 gb_9 CG CD2 gb_9 ND1 HD1 gb_2 ND1 CE1 gb_9 CD2 NE2 gb_9 CE1 NE2 gb_9 [ exclusions ] ; ai aj CB HD1 CB CE1 CB NE2 HD1 CD2 HD1 NE2 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG ND1 ga_36 CB CG CD2 ga_36 ND1 CG CD2 ga_6 CG ND1 HD1 ga_35 CG ND1 CE1 ga_6 HD1 ND1 CE1 ga_35 CG CD2 NE2 ga_6 ND1 CE1 NE2 ga_6 CD2 NE2 CE1 ga_6 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CG ND1 CD2 CB gi_1 CD2 CG ND1 CE1 gi_1 ND1 CG CD2 NE2 gi_1 CG ND1 CE1 NE2 gi_1 CG CD2 NE2 CE1 gi_1 CD2 NE2 CE1 ND1 gi_1 ND1 CG CE1 HD1 gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG ND1 gd_20 [ HISB ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.13000 2 ND1 NR -0.58000 2 CD2 CR1 0.00000 2 CE1 CR1 0.26000 2 NE2 NR 0.00000 2 HE2 H 0.19000 2 C C 0.380 3 O O -0.380 3 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG ND1 gb_9 CG CD2 gb_9 ND1 CE1 gb_9 CD2 NE2 gb_9 CE1 NE2 gb_9 NE2 HE2 gb_2 [ exclusions ] ; ai aj CB CE1 CB NE2 CG HE2 ND1 HE2 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG ND1 ga_36 CB CG CD2 ga_36 ND1 CG CD2 ga_6 CG ND1 CE1 ga_6 CG CD2 NE2 ga_6 ND1 CE1 NE2 ga_6 CD2 NE2 CE1 ga_6 CD2 NE2 HE2 ga_35 CE1 NE2 HE2 ga_35 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CG ND1 CD2 CB gi_1 CD2 CG ND1 CE1 gi_1 ND1 CG CD2 NE2 gi_1 CG ND1 CE1 NE2 gi_1 CG CD2 NE2 CE1 gi_1 CD2 NE2 CE1 ND1 gi_1 NE2 CD2 CE1 HE2 gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG ND1 gd_20 [ HISH ] [ atoms ] N N -0.28000 0 H H 0.28000 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 CR1 0.00000 2 CE1 CR1 -0.24000 2 NE2 NR 0.31000 2 HE2 H 0.30000 2 C C 0.380 3 O O -0.380 3 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG ND1 gb_9 CG CD2 gb_9 ND1 HD1 gb_2 ND1 CE1 gb_9 CD2 NE2 gb_9 CE1 NE2 gb_9 NE2 HE2 gb_2 [ exclusions ] ; ai aj CB HD1 CB CE1 CB NE2 CG HE2 ND1 HE2 HD1 CD2 HD1 NE2 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG ND1 ga_36 CB CG CD2 ga_36 ND1 CG CD2 ga_6 CG ND1 HD1 ga_35 CG ND1 CE1 ga_6 HD1 ND1 CE1 ga_35 CG CD2 NE2 ga_6 ND1 CE1 NE2 ga_6 CD2 NE2 CE1 ga_6 CD2 NE2 HE2 ga_35 CE1 NE2 HE2 ga_35 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CG ND1 CD2 CB gi_1 CD2 CG ND1 CE1 gi_1 ND1 CG CD2 NE2 gi_1 CG ND1 CE1 NE2 gi_1 CG CD2 NE2 CE1 gi_1 CD2 NE2 CE1 ND1 gi_1 ND1 CG CE1 HD1 gi_1 NE2 CD2 CE1 HE2 gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG ND1 gd_20 [ HIS1 ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.00000 2 ND1 NR 0.00000 2 HD1 H 0.19000 2 CD2 CR1 0.13000 2 CE1 CR1 0.26000 2 NE2 NR -0.58000 2 C C 0.380 3 O O -0.380 3 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG ND1 gb_9 CG CD2 gb_9 ND1 HD1 gb_2 ND1 CE1 gb_9 CD2 NE2 gb_9 CE1 NE2 gb_9 [ exclusions ] ; ai aj CB HD1 CB CE1 CB NE2 HD1 CD2 HD1 NE2 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG ND1 ga_36 CB CG CD2 ga_36 ND1 CG CD2 ga_6 CG ND1 HD1 ga_35 CG ND1 CE1 ga_6 HD1 ND1 CE1 ga_35 CG CD2 NE2 ga_6 ND1 CE1 NE2 ga_6 CD2 NE2 CE1 ga_6 CD2 NE2 -C ga_33 CE1 NE2 -C ga_33 NE2 -C -CA ga_16 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CG ND1 CD2 CB gi_1 CD2 CG ND1 CE1 gi_1 ND1 CG CD2 NE2 gi_1 CG ND1 CE1 NE2 gi_1 CG CD2 NE2 CE1 gi_1 CD2 NE2 CE1 ND1 gi_1 ND1 CG CE1 HD1 gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG ND1 gd_20 CD2 NE2 -C -CA gd_18 [ HYP ] [ atoms ] N N 0.00000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH1 0.15000 2 OD1 OA -0.54800 2 HD1 H 0.39800 2 CD2 CH2 0.00000 3 C C 0.380 4 O O -0.380 4 [ bonds ] N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG OD1 gb_17 OD1 HD1 gb_1 CG CD2 gb_26 CD2 N gb_20 [ angles ] ; ai aj ak gromos type -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_12 CB CG OD1 ga_12 CB CG CD2 ga_12 CG OD1 HD1 ga_11 OD1 CG CD2 ga_12 CG CD2 N ga_12 CD2 N CA ga_20 -C N CD2 ga_30 [ impropers ] ; ai aj ak al gromos type N -C CA CD2 gi_1 C CA +N O gi_1 CA N C CB gi_2 CG CD2 CB OD1 gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG CD2 gd_17 CB CG CD2 N gd_17 CG CD2 N CA gd_19 CB CG OD1 HD1 gd_12 [ ILE ] [ atoms ] N N -0.28000 0 H H 0.28000 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 0.380 3 O O -0.380 3 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG1 gb_26 CB CG2 gb_26 CG1 CD gb_26 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG1 ga_14 CA CB CG2 ga_14 CG1 CB CG2 ga_14 CB CG1 CD ga_14 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CB CG1 CG2 CA gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG1 gd_17 CA CB CG1 CD gd_17 [ LEU ] [ atoms ] N N -0.28000 0 H H 0.28000 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 0.380 3 O O -0.380 3 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG CD1 gb_26 CG CD2 gb_26 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG CD1 ga_14 CB CG CD2 ga_14 CD1 CG CD2 ga_14 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CG CD2 CD1 CB gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG CD1 gd_17 [ LYS ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH2 0.00000 2 CD CH2 0.00000 2 CE CH2 0.00000 3 NZ NT -0.83000 3 HZ1 H 0.41500 3 HZ2 H 0.41500 3 C C 0.380 4 O O -0.380 4 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG CD gb_26 CD CE gb_26 CE NZ gb_20 NZ HZ1 gb_2 NZ HZ2 gb_2 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG CD ga_14 CG CD CE ga_14 CD CE NZ ga_14 CE NZ HZ1 ga_10 CE NZ HZ2 ga_10 HZ1 NZ HZ2 ga_9 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG CD gd_17 CB CG CD CE gd_17 CG CD CE NZ gd_17 CD CE NZ HZ1 gd_14 [ LYSH ] [ atoms ] N N -0.28000 0 H H 0.28000 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 0.380 4 O O -0.380 4 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG CD gb_26 CD CE gb_26 CE NZ gb_20 NZ HZ1 gb_2 NZ HZ2 gb_2 NZ HZ3 gb_2 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG CD ga_14 CG CD CE ga_14 CD CE NZ ga_14 CE NZ HZ1 ga_10 CE NZ HZ2 ga_10 CE NZ HZ3 ga_10 HZ1 NZ HZ2 ga_9 HZ1 NZ HZ3 ga_9 HZ2 NZ HZ3 ga_9 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG CD gd_17 CB CG CD CE gd_17 CG CD CE NZ gd_17 CD CE NZ HZ1 gd_14 [ MET ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH2 0.00000 1 SD S 0.00000 2 CE CH3 0.00000 2 C C 0.380 3 O O -0.380 3 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG SD gb_30 SD CE gb_29 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG SD ga_15 CG SD CE ga_3 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG SD gd_17 CB CG SD CE gd_13 [ PHE ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.00000 1 CD1 C -0.10000 2 HD1 HC 0.10000 2 CD2 C -0.10000 3 HD2 HC 0.10000 3 CE1 C -0.10000 4 HE1 HC 0.10000 4 CE2 C -0.10000 5 HE2 HC 0.10000 5 CZ C -0.10000 6 HZ HC 0.10000 6 C C 0.380 7 O O -0.380 7 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG CD1 gb_15 CG CD2 gb_15 CD1 HD1 gb_3 CD1 CE1 gb_15 CD2 HD2 gb_3 CD2 CE2 gb_15 CE1 HE1 gb_3 CE1 CZ gb_15 CE2 HE2 gb_3 CE2 CZ gb_15 CZ HZ gb_3 [ 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_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG CD1 ga_26 CB CG CD2 ga_26 CD1 CG CD2 ga_26 CG CD1 HD1 ga_24 HD1 CD1 CE1 ga_24 CG CD1 CE1 ga_26 CG CD2 HD2 ga_24 HD2 CD2 CE2 ga_24 CG CD2 CE2 ga_26 CD1 CE1 HE1 ga_24 HE1 CE1 CZ ga_24 CD1 CE1 CZ ga_26 CD2 CE2 HE2 ga_24 HE2 CE2 CZ ga_24 CD2 CE2 CZ ga_26 CE1 CZ HZ ga_24 CE2 CZ HZ ga_24 CE1 CZ CE2 ga_26 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CG CD1 CD2 CB gi_1 CD2 CG CD1 CE1 gi_1 CD1 CG CD2 CE2 gi_1 CG CD1 CE1 CZ gi_1 CG CD2 CE2 CZ gi_1 CD1 CE1 CZ CE2 gi_1 CD2 CE2 CZ CE1 gi_1 CD1 CG CE1 HD1 gi_1 CD2 CG CE2 HD2 gi_1 CE1 CZ CD1 HE1 gi_1 CE2 CZ CD2 HE2 gi_1 CZ CE1 CE2 HZ gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG CD1 gd_20 [ PRO ] [ atoms ] N N 0.00000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH2 0.00000 2 CD CH2 0.00000 2 C C 0.380 3 O O -0.380 3 [ bonds ] N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG CD gb_26 CD N gb_20 [ angles ] ; ai aj ak gromos type -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_12 CB CG CD ga_12 CG CD N ga_12 CD N CA ga_20 -C N CD ga_30 [ impropers ] ; ai aj ak al gromos type N -C CA CD gi_1 C CA +N O gi_1 CA N C CB gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG CD gd_17 CB CG CD N gd_17 CG CD N CA gd_19 [ SER ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.15000 2 OG OA -0.54800 2 HG H 0.39800 2 C C 0.380 3 O O -0.380 3 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB OG gb_17 OG HG gb_1 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB OG ga_12 CB OG HG ga_11 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB OG gd_17 CA CB OG HG gd_12 [ THR ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH1 0.15000 2 OG1 OA -0.54800 2 HG1 H 0.39800 2 CG2 CH3 0.00000 3 C C 0.380 4 O O -0.380 4 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB OG1 gb_17 CB CG2 gb_26 OG1 HG1 gb_1 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB OG1 ga_12 CA CB CG2 ga_14 OG1 CB CG2 ga_14 CB OG1 HG1 ga_11 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CB OG1 CG2 CA gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB OG1 gd_17 CA CB OG1 HG1 gd_12 [ TRP ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C -0.14000 2 CD1 C -0.10000 2 HD1 HC 0.10000 2 CD2 C 0.00000 2 NE1 NR -0.05000 2 HE1 H 0.19000 2 CE2 C 0.00000 2 CE3 C -0.10000 3 HE3 HC 0.10000 3 CZ2 C -0.10000 4 HZ2 HC 0.10000 4 CZ3 C -0.10000 5 HZ3 HC 0.10000 5 CH2 C -0.10000 6 HH2 HC 0.10000 6 C C 0.380 7 O O -0.380 7 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG CD1 gb_9 CG CD2 gb_15 CD1 HD1 gb_3 CD1 NE1 gb_9 CD2 CE2 gb_15 CD2 CE3 gb_15 NE1 HE1 gb_2 NE1 CE2 gb_9 CE2 CZ2 gb_15 CE3 HE3 gb_3 CE3 CZ3 gb_15 CZ2 HZ2 gb_3 CZ2 CH2 gb_15 CZ3 HZ3 gb_3 CZ3 CH2 gb_15 CH2 HH2 gb_3 [ 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_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG CD1 ga_36 CB CG CD2 ga_36 CD1 CG CD2 ga_6 CG CD1 HD1 ga_35 HD1 CD1 NE1 ga_35 CG CD1 NE1 ga_6 CG CD2 CE2 ga_6 CD1 NE1 CE2 ga_6 CD1 NE1 HE1 ga_35 HE1 NE1 CE2 ga_35 NE1 CE2 CD2 ga_6 CG CD2 CE3 ga_38 NE1 CE2 CZ2 ga_38 CD2 CE2 CZ2 ga_26 CE2 CD2 CE3 ga_26 CD2 CE3 HE3 ga_24 HE3 CE3 CZ3 ga_24 CD2 CE3 CZ3 ga_26 CE2 CZ2 HZ2 ga_24 HZ2 CZ2 CH2 ga_24 CE2 CZ2 CH2 ga_26 CE3 CZ3 HZ3 ga_24 HZ3 CZ3 CH2 ga_24 CE3 CZ3 CH2 ga_26 CZ2 CH2 HH2 ga_24 HH2 CH2 CZ3 ga_24 CZ2 CH2 CZ3 ga_26 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CG CD1 CD2 CB gi_1 CD2 CG CD1 NE1 gi_1 CD1 CG CD2 CE2 gi_1 CG CD1 NE1 CE2 gi_1 CG CD2 CE2 NE1 gi_1 CD1 NE1 CE2 CD2 gi_1 CD1 CG NE1 HD1 gi_1 NE1 CD1 CE2 HE1 gi_1 CD2 CE2 CE3 CG gi_1 CE2 CD2 CZ2 NE1 gi_1 CE3 CD2 CE2 CZ2 gi_1 CD2 CE2 CZ2 CH2 gi_1 CE2 CD2 CE3 CZ3 gi_1 CE2 CZ2 CH2 CZ3 gi_1 CD2 CE3 CZ3 CH2 gi_1 CE3 CZ3 CH2 CZ2 gi_1 CE3 CD2 CZ3 HE3 gi_1 CZ2 CE2 CH2 HZ2 gi_1 CZ3 CE3 CH2 HZ3 gi_1 CH2 CZ2 CZ3 HH2 gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG CD2 gd_20 [ TYR ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG C 0.00000 1 CD1 C -0.10000 2 HD1 HC 0.10000 2 CD2 C -0.10000 3 HD2 HC 0.10000 3 CE1 C -0.10000 4 HE1 HC 0.10000 4 CE2 C -0.10000 5 HE2 HC 0.10000 5 CZ C 0.15000 6 OH OA -0.54800 6 HH H 0.39800 6 C C 0.380 7 O O -0.380 7 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG CD1 gb_15 CG CD2 gb_15 CD1 HD1 gb_3 CD1 CE1 gb_15 CD2 HD2 gb_3 CD2 CE2 gb_15 CE1 HE1 gb_3 CE1 CZ gb_15 CE2 HE2 gb_3 CE2 CZ gb_15 CZ OH gb_12 OH HH gb_1 [ 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_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG CD1 ga_26 CB CG CD2 ga_26 CD1 CG CD2 ga_26 CG CD1 HD1 ga_24 HD1 CD1 CE1 ga_24 CG CD1 CE1 ga_26 CG CD2 HD2 ga_24 HD2 CD2 CE2 ga_24 CG CD2 CE2 ga_26 CD1 CE1 HE1 ga_24 HE1 CE1 CZ ga_24 CD1 CE1 CZ ga_26 CD2 CE2 HE2 ga_24 HE2 CE2 CZ ga_24 CD2 CE2 CZ ga_26 CE1 CZ CE2 ga_26 CE1 CZ OH ga_26 CE2 CZ OH ga_26 CZ OH HH ga_11 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CG CD1 CD2 CB gi_1 CD2 CG CD1 CE1 gi_1 CD1 CG CD2 CE2 gi_1 CG CD1 CE1 CZ gi_1 CG CD2 CE2 CZ gi_1 CD1 CE1 CZ CE2 gi_1 CD2 CE2 CZ CE1 gi_1 CD1 CG CE1 HD1 gi_1 CD2 CG CE2 HD2 gi_1 CE1 CZ CD1 HE1 gi_1 CE2 CZ CD2 HE2 gi_1 CZ CE1 CE2 OH gi_1 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG CD1 gd_20 CE1 CZ OH HH gd_2 [ VAL ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH1 0.00000 1 CG1 CH3 0.00000 1 CG2 CH3 0.00000 1 C C 0.380 2 O O -0.380 2 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG1 gb_26 CB CG2 gb_26 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG1 ga_14 CA CB CG2 ga_14 CG1 CB CG2 ga_14 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 CB CG2 CG1 CA gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG1 gd_17 [ DALA ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH3 0.00000 1 C C 0.380 2 O O -0.380 2 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA C N CB gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 [ ABU ] [ atoms ] N N -0.28000 0 H H 0.28000 0 CA CH1 0.00000 1 CB CH2 0.00000 1 CG CH3 0.00000 1 C C 0.380 2 O O -0.380 2 [ bonds ] N H gb_2 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 [ angles ] ; ai aj ak gromos type -C N H ga_31 H N CA ga_17 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 [ impropers ] ; ai aj ak al gromos type N -C CA H gi_1 C CA +N O gi_1 CA N C CB gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 [ MEBMT ] [ atoms ] N N 0.00000 0 CN CH3 0.00000 0 CA CH1 0.00000 1 CB CH1 0.15000 2 OG1 OA -0.54800 2 HG1 H 0.39800 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 0.380 5 O O -0.380 5 [ bonds ] N CN gb_20 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB OG1 gb_17 OG1 HG1 gb_1 CB CG2 gb_26 CG2 CD1 gb_26 CG2 CD2 gb_26 CD2 CE gb_26 CE CZ gb_9 CZ CH gb_26 [ angles ] ; ai aj ak gromos type -C N CN ga_21 CN N CA ga_29 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB OG1 ga_12 CA CB CG2 ga_14 OG1 CB CG2 ga_14 CB OG1 HG1 ga_11 CB CG2 CD1 ga_14 CB CG2 CD2 ga_14 CD2 CG2 CD1 ga_14 CG2 CD2 CE ga_14 CD2 CE CZ ga_26 CE CZ CH ga_26 [ impropers ] ; ai aj ak al gromos type N -C CA CN gi_1 C CA +N O gi_1 CA N C CB gi_2 CB OG1 CG2 CA gi_2 CG2 CD1 CD2 CB gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG2 gd_17 CA CB OG1 HG1 gd_12 CA CB CG2 CD2 gd_17 CB CG2 CD2 CE gd_17 CG2 CD2 CE CZ gd_20 CD2 CE CZ CH gd_4 [ 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 0.380 3 O O -0.380 3 [ bonds ] N CN gb_20 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG gb_26 CG CD1 gb_26 CG CD2 gb_26 [ angles ] ; ai aj ak gromos type -C N CN ga_21 CN N CA ga_29 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG ga_14 CB CG CD1 ga_14 CB CG CD2 ga_14 CD1 CG CD2 ga_14 [ impropers ] ; ai aj ak al gromos type N -C CA CN gi_1 C CA +N O gi_1 CA N C CB gi_2 CG CD2 CD1 CB gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG gd_17 CA CB CG CD1 gd_17 [ 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 0.380 2 O O -0.380 2 [ bonds ] N CN gb_20 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 CA CB gb_26 CB CG1 gb_26 CB CG2 gb_26 [ angles ] ; ai aj ak gromos type -C N CN ga_21 CN N CA ga_29 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 N CA CB ga_12 C CA CB ga_12 CA CB CG1 ga_14 CA CB CG2 ga_14 CG1 CB CG2 ga_14 [ impropers ] ; ai aj ak al gromos type N -C CA CN gi_1 C CA +N O gi_1 CA N C CB gi_2 CB CG2 CG1 CA gi_2 [ dihedrals ] ; ai aj ak al gromos type -CA -C N CA gd_4 -C N CA C gd_19 N CA C +N gd_20 N CA CB CG1 gd_17 [ SAR ] [ atoms ] N N 0.00000 0 CN CH3 0.00000 0 CA CH2 0.00000 1 C C 0.380 2 O O -0.380 2 [ bonds ] N CN gb_20 N CA gb_20 CA C gb_26 C O gb_4 C +N gb_9 [ angles ] ; ai aj ak gromos type -C N CN ga_21 CN N CA ga_29 -C N CA ga_30 N CA C ga_12 CA C +N ga_18 CA C O ga_29 O C +N ga_32 [ 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_4 -C N CA C gd_19 N CA C +N gd_20 [ 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 -0.36000 4 C2 CR1 0.36000 4 N1 NR -0.36000 5 C6 C 0.36000 5 N6 NT -0.83000 6 H61 H 0.41500 6 H62 H 0.41500 6 C5 C 0.00000 7 N7 NR -0.36000 7 C8 CR1 0.36000 7 C2* CH2 0.00000 8 C3* CH1 0.000 8 O3* OA -0.360 9 [ bonds ] P O1P gb_23 P O2P gb_23 P O5* gb_27 O5* C5* gb_19 C5* C4* gb_25 C4* O4* gb_19 C4* C3* gb_25 O4* C1* gb_19 C1* N9 gb_21 C1* C2* gb_25 N9 C4 gb_9 N9 C8 gb_9 C4 N3 gb_11 C4 C5 gb_15 N3 C2 gb_6 C2 N1 gb_6 N1 C6 gb_11 C6 N6 gb_8 C6 C5 gb_15 N6 H61 gb_2 N6 H62 gb_2 C5 N7 gb_9 N7 C8 gb_9 C2* C3* gb_25 C3* O3* gb_19 O3* +N gb_27 [ exclusions ] ; ai aj C1* N3 C1* C5 C1* N7 N9 C2 N9 C6 C4 N1 C4 N6 N3 C6 N3 N7 N3 C8 C2 N6 C2 C5 N1 N7 C6 C8 N6 N7 [ angles ] ; ai aj ak gromos type -O P O1P ga_13 -O P O2P ga_13 -O P O5* ga_4 O1P P O2P ga_28 O1P P O5* ga_13 O2P P O5* ga_13 P O5* C5* ga_25 O5* C5* C4* ga_8 C5* C4* O4* ga_8 C5* C4* C3* ga_7 O4* C4* C3* ga_8 C4* O4* C1* ga_9 O4* C1* N9 ga_8 O4* C1* C2* ga_8 N9 C1* C2* ga_8 C1* N9 C4 ga_36 C1* N9 C8 ga_36 C4 N9 C8 ga_6 N9 C4 N3 ga_38 N9 C4 C5 ga_6 N3 C4 C5 ga_26 C4 N3 C2 ga_26 N3 C2 N1 ga_26 C2 N1 C6 ga_26 N1 C6 N6 ga_26 N1 C6 C5 ga_26 N6 C6 C5 ga_26 C6 N6 H61 ga_22 C6 N6 H62 ga_22 H61 N6 H62 ga_23 C4 C5 C6 ga_26 C4 C5 N7 ga_6 C6 C5 N7 ga_38 C5 N7 C8 ga_6 N9 C8 N7 ga_6 C1* C2* C3* ga_7 C4* C3* C2* ga_7 C4* C3* O3* ga_8 C2* C3* O3* ga_8 C3* O3* +N ga_25 [ impropers ] ; ai aj ak al gromos type C4* O4* C5* C3* gi_2 C3* C2* O3* C4* gi_2 C1* N9 O4* C2* gi_2 N9 C8 C4 C1* gi_1 C4 N9 C8 N7 gi_1 C8 N9 C4 C5 gi_1 N9 C8 N7 C5 gi_1 N9 C4 C5 N7 gi_1 C8 N7 C5 C4 gi_1 C4 N9 N3 C5 gi_1 C5 C6 N7 C4 gi_1 N3 C4 C5 C6 gi_1 C4 C5 C6 N1 gi_1 C5 C4 N3 C2 gi_1 C5 C6 N1 C2 gi_1 C4 N3 C2 N1 gi_1 N3 C2 N1 C6 gi_1 C6 C5 N1 N6 gi_1 N6 H61 H62 C6 gi_1 [ dihedrals ] ; ai aj ak al gromos type -C -O P O5* gd_11 -C -O P O5* gd_9 -O P O5* C5* gd_11 -O P O5* C5* gd_9 P O5* C5* C4* gd_14 O5* C5* C4* C3* gd_17 O5* C5* C4* C3* gd_7 O5* C5* C4* O4* gd_8 C5* C4* C3* C2* gd_17 C5* C4* C3* O3* gd_7 O4* C4* C3* C2* gd_7 O4* C4* C3* O3* gd_8 C4* C3* C2* C1* gd_17 O3* C3* C2* C1* gd_7 C3* C2* C1* O4* gd_17 C3* C2* C1* O4* gd_7 C3* C4* O4* C1* gd_14 C4* O4* C1* C2* gd_14 O4* C1* N9 C4 gd_6 C5 C6 N6 H61 gd_4 C4* C3* O3* +N gd_14 [ 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 -0.36000 4 C2 C 0.36000 4 N2 NT -0.83000 5 H21 H 0.41500 5 H22 H 0.41500 5 N1 NR -0.28000 6 H1 H 0.28000 6 C6 C 0.38000 7 O6 O -0.38000 7 C5 C 0.00000 8 N7 NR -0.36000 8 C8 CR1 0.36000 8 C2* CH2 0.00000 9 C3* CH1 0.000 9 O3* OA -0.360 10 [ bonds ] P O1P gb_23 P O2P gb_23 P O5* gb_27 O5* C5* gb_19 C5* C4* gb_25 C4* O4* gb_19 C4* C3* gb_25 O4* C1* gb_19 C1* N9 gb_21 C1* C2* gb_25 N9 C4 gb_9 N9 C8 gb_9 C4 N3 gb_11 C4 C5 gb_15 N3 C2 gb_11 C2 N2 gb_8 C2 N1 gb_16 N2 H21 gb_2 N2 H22 gb_2 N1 H1 gb_2 N1 C6 gb_16 C6 O6 gb_4 C6 C5 gb_15 C5 N7 gb_9 N7 C8 gb_9 C2* C3* gb_25 C3* O3* gb_19 O3* +N gb_27 [ exclusions ] ; ai aj C1* N3 C1* C5 C1* N7 N9 C2 N9 C6 C4 N2 C4 N1 C4 O6 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 [ angles ] ; ai aj ak gromos type -O P O1P ga_13 -O P O2P ga_13 -O P O5* ga_4 O1P P O2P ga_28 O1P P O5* ga_13 O2P P O5* ga_13 P O5* C5* ga_25 O5* C5* C4* ga_8 C5* C4* O4* ga_8 C5* C4* C3* ga_7 O4* C4* C3* ga_8 C4* O4* C1* ga_9 O4* C1* N9 ga_8 O4* C1* C2* ga_8 N9 C1* C2* ga_8 C1* N9 C4 ga_36 C1* N9 C8 ga_36 C4 N9 C8 ga_6 N9 C4 N3 ga_38 N9 C4 C5 ga_6 N3 C4 C5 ga_26 C4 N3 C2 ga_26 N3 C2 N2 ga_26 N3 C2 N1 ga_26 N2 C2 N1 ga_26 C2 N2 H21 ga_22 C2 N2 H22 ga_22 H21 N2 H22 ga_23 C2 N1 H1 ga_24 C2 N1 C6 ga_26 H1 N1 C6 ga_24 N1 C6 O6 ga_26 N1 C6 C5 ga_26 O6 C6 C5 ga_26 C4 C5 C6 ga_26 C4 C5 N7 ga_6 C6 C5 N7 ga_38 C5 N7 C8 ga_6 N9 C8 N7 ga_6 C1* C2* C3* ga_7 C4* C3* C2* ga_7 C4* C3* O3* ga_8 C2* C3* O3* ga_8 C3* O3* +N ga_25 [ impropers ] ; ai aj ak al gromos type C4* O4* C5* C3* gi_2 C3* C2* O3* C4* gi_2 C1* N9 O4* C2* gi_2 N9 C8 C4 C1* gi_1 C4 N9 C8 N7 gi_1 C8 N9 C4 C5 gi_1 N9 C8 N7 C5 gi_1 N9 C4 C5 N7 gi_1 C8 N7 C5 C4 gi_1 C4 N9 N3 C5 gi_1 C5 C6 N7 C4 gi_1 N3 C4 C5 C6 gi_1 C4 C5 C6 N1 gi_1 C5 C4 N3 C2 gi_1 C5 C6 N1 C2 gi_1 C4 N3 C2 N1 gi_1 N3 C2 N1 C6 gi_1 C2 N1 N3 N2 gi_1 N2 H21 H22 C2 gi_1 N1 C6 C2 H1 gi_1 C6 C5 N1 O6 gi_1 [ dihedrals ] ; ai aj ak al gromos type -C -O P O5* gd_11 -C -O P O5* gd_9 -O P O5* C5* gd_11 -O P O5* C5* gd_9 P O5* C5* C4* gd_14 O5* C5* C4* C3* gd_17 O5* C5* C4* C3* gd_7 O5* C5* C4* O4* gd_8 C5* C4* C3* C2* gd_17 C5* C4* C3* O3* gd_7 O4* C4* C3* C2* gd_7 O4* C4* C3* O3* gd_8 C4* C3* C2* C1* gd_17 O3* C3* C2* C1* gd_7 C3* C2* C1* O4* gd_17 C3* C2* C1* O4* gd_7 C3* C4* O4* C1* gd_14 C4* O4* C1* C2* gd_14 O4* C1* N9 C4 gd_6 N3 C2 N2 H21 gd_4 C4* C3* O3* +N gd_14 [ 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 CR1 0.20000 3 C2 C 0.38000 4 O2 O -0.38000 4 N3 NR -0.36000 5 C4 C 0.36000 5 N4 NT -0.83000 6 H41 H 0.41500 6 H42 H 0.41500 6 C5 CR1 0.00000 7 C2* CH2 0.00000 8 C3* CH1 0.000 8 O3* OA -0.360 9 [ bonds ] P O1P gb_23 P O2P gb_23 P O5* gb_27 O5* C5* gb_19 C5* C4* gb_25 C4* O4* gb_19 C4* C3* gb_25 O4* C1* gb_19 C1* N1 gb_22 C1* C2* gb_25 N1 C6 gb_16 N1 C2 gb_16 C6 C5 gb_15 C2 O2 gb_4 C2 N3 gb_11 N3 C4 gb_11 C4 N4 gb_8 C4 C5 gb_15 N4 H41 gb_2 N4 H42 gb_2 C2* C3* gb_25 C3* O3* gb_19 O3* +N 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 -O P O1P ga_13 -O P O2P ga_13 -O P O5* ga_4 O1P P O2P ga_28 O1P P O5* ga_13 O2P P O5* ga_13 P O5* C5* ga_25 O5* C5* C4* ga_8 C5* C4* O4* ga_8 C5* C4* C3* ga_7 O4* C4* C3* ga_8 C4* O4* C1* ga_9 O4* C1* N1 ga_8 O4* C1* C2* ga_8 N1 C1* C2* ga_7 C1* N1 C6 ga_26 C1* N1 C2 ga_26 C6 N1 C2 ga_26 N1 C6 C5 ga_26 N1 C2 O2 ga_26 N1 C2 N3 ga_26 O2 C2 N3 ga_26 C2 N3 C4 ga_26 N3 C4 N4 ga_26 N3 C4 C5 ga_26 N4 C4 C5 ga_26 C4 N4 H41 ga_22 C4 N4 H42 ga_22 H41 N4 H42 ga_23 C6 C5 C4 ga_26 C1* C2* C3* ga_7 C4* C3* C2* ga_7 C4* C3* O3* ga_8 C2* C3* O3* ga_8 C3* O3* +N ga_25 [ impropers ] ; ai aj ak al gromos type C4* O4* C5* C3* gi_2 C3* C2* O3* C4* gi_2 C1* N1 O4* C2* gi_2 N1 C6 C2 C1* gi_1 C2 N1 C6 C5 gi_1 C6 N1 C2 N3 gi_1 N1 C6 C5 C4 gi_1 N1 C2 N3 C4 gi_1 C6 C5 C4 N3 gi_1 C2 N3 C4 C5 gi_1 C2 N3 N1 O2 gi_1 C4 C5 N3 N4 gi_1 N4 H41 H42 C4 gi_1 [ dihedrals ] ; ai aj ak al gromos type -C -O P O5* gd_11 -C -O P O5* gd_9 -O P O5* C5* gd_11 -O P O5* C5* gd_9 P O5* C5* C4* gd_14 O5* C5* C4* C3* gd_17 O5* C5* C4* C3* gd_7 O5* C5* C4* O4* gd_8 C5* C4* C3* C2* gd_17 C5* C4* C3* O3* gd_7 O4* C4* C3* C2* gd_7 O4* C4* C3* O3* gd_8 C4* C3* C2* C1* gd_17 O3* C3* C2* C1* gd_7 C3* C2* C1* O4* gd_17 C3* C2* C1* O4* gd_7 C3* C4* O4* C1* gd_14 C4* O4* C1* C2* gd_14 O4* C1* N1 C2 gd_6 N3 C4 N4 H41 gd_4 C4* C3* O3* +N gd_14 [ 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 CR1 0.20000 3 C2 C 0.38000 4 O2 O -0.38000 4 N3 NR -0.28000 5 H3 H 0.28000 5 C4 C 0.38000 6 O4 O -0.38000 6 C5 C 0.00000 7 C5M CH3 0.00000 7 C2* CH2 0.00000 8 C3* CH1 0.000 8 O3* OA -0.360 9 [ bonds ] P O1P gb_23 P O2P gb_23 P O5* gb_27 O5* C5* gb_19 C5* C4* gb_25 C4* O4* gb_19 C4* C3* gb_25 O4* C1* gb_19 C1* N1 gb_22 C1* C2* gb_25 N1 C6 gb_16 N1 C2 gb_16 C6 C5 gb_15 C2 O2 gb_4 C2 N3 gb_16 N3 H3 gb_2 N3 C4 gb_16 C4 O4 gb_4 C4 C5 gb_15 C5 C5M gb_26 C2* C3* gb_25 C3* O3* gb_19 O3* +N gb_27 [ exclusions ] ; ai aj C1* O2 C1* N3 C1* C5 N1 H3 N1 C4 N1 C5M C6 O2 C6 N3 C6 O4 C2 O4 C2 C5 O2 H3 O2 C4 N3 C5M H3 O4 H3 C5 O4 C5M [ angles ] ; ai aj ak gromos type -O P O1P ga_13 -O P O2P ga_13 -O P O5* ga_4 O1P P O2P ga_28 O1P P O5* ga_13 O2P P O5* ga_13 P O5* C5* ga_25 O5* C5* C4* ga_8 C5* C4* O4* ga_8 C5* C4* C3* ga_7 O4* C4* C3* ga_8 C4* O4* C1* ga_9 O4* C1* N1 ga_8 O4* C1* C2* ga_8 N1 C1* C2* ga_7 C1* N1 C6 ga_26 C1* N1 C2 ga_26 C6 N1 C2 ga_26 N1 C6 C5 ga_26 N1 C2 O2 ga_26 N1 C2 N3 ga_26 O2 C2 N3 ga_26 C2 N3 H3 ga_24 C2 N3 C4 ga_26 H3 N3 C4 ga_24 N3 C4 O4 ga_26 N3 C4 C5 ga_26 O4 C4 C5 ga_26 C6 C5 C4 ga_26 C6 C5 C5M ga_26 C4 C5 C5M ga_26 C1* C2* C3* ga_7 C4* C3* C2* ga_7 C4* C3* O3* ga_8 C2* C3* O3* ga_8 C3* O3* +N ga_25 [ impropers ] ; ai aj ak al gromos type C4* O4* C5* C3* gi_2 C3* C2* O3* C4* gi_2 C1* N1 O4* C2* gi_2 N1 C6 C2 C1* gi_1 C2 N1 C6 C5 gi_1 C6 N1 C2 N3 gi_1 N1 C6 C5 C4 gi_1 N1 C2 N3 C4 gi_1 C6 C5 C4 N3 gi_1 C2 N3 C4 C5 gi_1 C2 N3 N1 O2 gi_1 N3 C4 C2 H3 gi_1 C4 C5 N3 O4 gi_1 C5 C6 C4 C5M gi_1 [ dihedrals ] ; ai aj ak al gromos type -C -O P O5* gd_11 -C -O P O5* gd_9 -O P O5* C5* gd_11 -O P O5* C5* gd_9 P O5* C5* C4* gd_14 O5* C5* C4* C3* gd_17 O5* C5* C4* C3* gd_7 O5* C5* C4* O4* gd_8 C5* C4* C3* C2* gd_17 C5* C4* C3* O3* gd_7 O4* C4* C3* C2* gd_7 O4* C4* C3* O3* gd_8 C4* C3* C2* C1* gd_17 O3* C3* C2* C1* gd_7 C3* C2* C1* O4* gd_17 C3* C2* C1* O4* gd_7 C3* C4* O4* C1* gd_14 C4* O4* C1* C2* gd_14 O4* C1* N1 C2 gd_6 C4* C3* O3* +N gd_14 [ 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 -0.36000 4 C2 CR1 0.36000 4 N1 NR -0.36000 5 C6 C 0.36000 5 N6 NT -0.83000 6 H61 H 0.41500 6 H62 H 0.41500 6 C5 C 0.00000 7 N7 NR -0.36000 7 C8 CR1 0.36000 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_23 P O2P gb_23 P O5* gb_27 O5* C5* gb_19 C5* C4* gb_25 C4* O4* gb_19 C4* C3* gb_25 O4* C1* gb_19 C1* N9 gb_21 C1* C2* gb_25 N9 C4 gb_9 N9 C8 gb_9 C4 N3 gb_11 C4 C5 gb_15 N3 C2 gb_6 C2 N1 gb_6 N1 C6 gb_11 C6 N6 gb_8 C6 C5 gb_15 N6 H61 gb_2 N6 H62 gb_2 C5 N7 gb_9 N7 C8 gb_9 C2* O2* gb_19 O2* H2* gb_1 C2* C3* gb_25 C3* O3* gb_19 O3* +N gb_27 [ exclusions ] ; ai aj C1* N3 C1* C5 C1* N7 N9 C2 N9 C6 C4 N1 C4 N6 N3 C6 N3 N7 N3 C8 C2 N6 C2 C5 N1 N7 C6 C8 N6 N7 [ angles ] ; ai aj ak gromos type -O P O1P ga_13 -O P O2P ga_13 -O P O5* ga_4 O1P P O2P ga_28 O1P P O5* ga_13 O2P P O5* ga_13 P O5* C5* ga_25 O5* C5* C4* ga_8 C5* C4* O4* ga_8 C5* C4* C3* ga_7 O4* C4* C3* ga_8 C4* O4* C1* ga_9 O4* C1* N9 ga_8 O4* C1* C2* ga_8 N9 C1* C2* ga_8 C1* N9 C4 ga_36 C1* N9 C8 ga_36 C4 N9 C8 ga_6 N9 C4 N3 ga_38 N9 C4 C5 ga_6 N3 C4 C5 ga_26 C4 N3 C2 ga_26 N3 C2 N1 ga_26 C2 N1 C6 ga_26 N1 C6 N6 ga_26 N1 C6 C5 ga_26 N6 C6 C5 ga_26 C6 N6 H61 ga_22 C6 N6 H62 ga_22 H61 N6 H62 ga_23 C4 C5 C6 ga_26 C4 C5 N7 ga_6 C6 C5 N7 ga_38 C5 N7 C8 ga_6 N9 C8 N7 ga_6 C1* C2* C3* ga_7 C1* C2* O2* ga_8 O2* C2* C3* ga_8 C2* O2* H2* ga_11 C4* C3* C2* ga_7 C4* C3* O3* ga_8 C2* C3* O3* ga_8 C3* O3* +N ga_25 [ impropers ] ; ai aj ak al gromos type C4* O4* C5* C3* gi_2 C3* C2* O3* C4* gi_2 C1* N9 O4* C2* gi_2 N9 C8 C4 C1* gi_1 C4 N9 C8 N7 gi_1 C8 N9 C4 C5 gi_1 N9 C8 N7 C5 gi_1 N9 C4 C5 N7 gi_1 C8 N7 C5 C4 gi_1 C4 N9 N3 C5 gi_1 C5 C6 N7 C4 gi_1 N3 C4 C5 C6 gi_1 C4 C5 C6 N1 gi_1 C5 C4 N3 C2 gi_1 C5 C6 N1 C2 gi_1 C4 N3 C2 N1 gi_1 N3 C2 N1 C6 gi_1 C6 C5 N1 N6 gi_1 N6 H61 H62 C6 gi_1 C2* O2* C3* C1* gi_2 [ dihedrals ] ; ai aj ak al gromos type -C -O P O5* gd_11 -C -O P O5* gd_9 -O P O5* C5* gd_11 -O P O5* C5* gd_9 P O5* C5* C4* gd_14 O5* C5* C4* C3* gd_17 O5* C5* C4* C3* gd_7 O5* C5* C4* O4* gd_8 C5* C4* C3* C2* gd_17 C5* C4* C3* O3* gd_7 O4* C4* C3* C2* gd_7 O4* C4* C3* O3* gd_8 C4* C3* C2* C1* gd_17 O3* C3* C2* C1* gd_7 C4* C3* C2* O2* gd_7 O3* C3* C2* O2* gd_8 C3* C2* C1* O4* gd_17 C3* C2* C1* O4* gd_7 O2* C2* C1* N9 gd_7 O2* C2* C1* O4* gd_8 C1* C2* O2* H2* gd_12 C3* C4* O4* C1* gd_14 C4* O4* C1* C2* gd_14 O4* C1* N9 C4 gd_6 C5 C6 N6 H61 gd_4 C4* C3* O3* +N gd_14 [ 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 -0.36000 4 C2 C 0.36000 4 N2 NT -0.83000 5 H21 H 0.41500 5 H22 H 0.41500 5 N1 NR -0.28000 6 H1 H 0.28000 6 C6 C 0.38000 7 O6 O -0.38000 7 C5 C 0.00000 8 N7 NR -0.36000 8 C8 CR1 0.36000 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_23 P O2P gb_23 P O5* gb_27 O5* C5* gb_19 C5* C4* gb_25 C4* O4* gb_19 C4* C3* gb_25 O4* C1* gb_19 C1* N9 gb_21 C1* C2* gb_25 N9 C4 gb_9 N9 C8 gb_9 C4 N3 gb_11 C4 C5 gb_15 N3 C2 gb_11 C2 N2 gb_8 C2 N1 gb_16 N2 H21 gb_2 N2 H22 gb_2 N1 H1 gb_2 N1 C6 gb_16 C6 O6 gb_4 C6 C5 gb_15 C5 N7 gb_9 N7 C8 gb_9 C2* O2* gb_19 O2* H2* gb_1 C2* C3* gb_25 C3* O3* gb_19 O3* +N gb_27 [ exclusions ] ; ai aj C1* N3 C1* C5 C1* N7 N9 C2 N9 C6 C4 N2 C4 N1 C4 O6 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 [ angles ] ; ai aj ak gromos type -O P O1P ga_13 -O P O2P ga_13 -O P O5* ga_4 O1P P O2P ga_28 O1P P O5* ga_13 O2P P O5* ga_13 P O5* C5* ga_25 O5* C5* C4* ga_8 C5* C4* O4* ga_8 C5* C4* C3* ga_7 O4* C4* C3* ga_8 C4* O4* C1* ga_9 O4* C1* N9 ga_8 O4* C1* C2* ga_8 N9 C1* C2* ga_8 C1* N9 C4 ga_36 C1* N9 C8 ga_36 C4 N9 C8 ga_6 N9 C4 N3 ga_38 N9 C4 C5 ga_6 N3 C4 C5 ga_26 C4 N3 C2 ga_26 N3 C2 N2 ga_26 N3 C2 N1 ga_26 N2 C2 N1 ga_26 C2 N2 H21 ga_22 C2 N2 H22 ga_22 H21 N2 H22 ga_23 C2 N1 H1 ga_24 C2 N1 C6 ga_26 H1 N1 C6 ga_24 N1 C6 O6 ga_26 N1 C6 C5 ga_26 O6 C6 C5 ga_26 C4 C5 C6 ga_26 C4 C5 N7 ga_6 C6 C5 N7 ga_38 C5 N7 C8 ga_6 N9 C8 N7 ga_6 C1* C2* C3* ga_7 C1* C2* O2* ga_8 O2* C2* C3* ga_8 C2* O2* H2* ga_11 C4* C3* C2* ga_7 C4* C3* O3* ga_8 C2* C3* O3* ga_8 C3* O3* +N ga_25 [ impropers ] ; ai aj ak al gromos type C4* O4* C5* C3* gi_2 C3* C2* O3* C4* gi_2 C1* N9 O4* C2* gi_2 N9 C8 C4 C1* gi_1 C4 N9 C8 N7 gi_1 C8 N9 C4 C5 gi_1 N9 C8 N7 C5 gi_1 N9 C4 C5 N7 gi_1 C8 N7 C5 C4 gi_1 C4 N9 N3 C5 gi_1 C5 C6 N7 C4 gi_1 N3 C4 C5 C6 gi_1 C4 C5 C6 N1 gi_1 C5 C4 N3 C2 gi_1 C5 C6 N1 C2 gi_1 C4 N3 C2 N1 gi_1 N3 C2 N1 C6 gi_1 C2 N1 N3 N2 gi_1 N2 H21 H22 C2 gi_1 N1 C6 C2 H1 gi_1 C6 C5 N1 O6 gi_1 C2* O2* C3* C1* gi_2 [ dihedrals ] ; ai aj ak al gromos type -C -O P O5* gd_11 -C -O P O5* gd_9 -O P O5* C5* gd_11 -O P O5* C5* gd_9 P O5* C5* C4* gd_14 O5* C5* C4* C3* gd_17 O5* C5* C4* C3* gd_7 O5* C5* C4* O4* gd_8 C5* C4* C3* C2* gd_17 C5* C4* C3* O3* gd_7 O4* C4* C3* C2* gd_7 O4* C4* C3* O3* gd_8 C4* C3* C2* C1* gd_17 O3* C3* C2* C1* gd_7 C4* C3* C2* O2* gd_7 O3* C3* C2* O2* gd_8 C3* C2* C1* O4* gd_17 C3* C2* C1* O4* gd_7 O2* C2* C1* N9 gd_7 O2* C2* C1* O4* gd_8 C1* C2* O2* H2* gd_12 C3* C4* O4* C1* gd_14 C4* O4* C1* C2* gd_14 O4* C1* N9 C4 gd_6 N3 C2 N2 H21 gd_4 C4* C3* O3* +N gd_14 [ 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 CR1 0.20000 3 C2 C 0.38000 4 O2 O -0.38000 4 N3 NR -0.36000 5 C4 C 0.36000 5 N4 NT -0.83000 6 H41 H 0.41500 6 H42 H 0.41500 6 C5 CR1 0.00000 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_23 P O2P gb_23 P O5* gb_27 O5* C5* gb_19 C5* C4* gb_25 C4* O4* gb_19 C4* C3* gb_25 O4* C1* gb_19 C1* N1 gb_22 C1* C2* gb_25 N1 C6 gb_16 N1 C2 gb_16 C6 C5 gb_15 C2 O2 gb_4 C2 N3 gb_11 N3 C4 gb_11 C4 N4 gb_8 C4 C5 gb_15 N4 H41 gb_2 N4 H42 gb_2 C2* O2* gb_19 O2* H2* gb_1 C2* C3* gb_25 C3* O3* gb_19 O3* +N 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 -O P O1P ga_13 -O P O2P ga_13 -O P O5* ga_4 O1P P O2P ga_28 O1P P O5* ga_13 O2P P O5* ga_13 P O5* C5* ga_25 O5* C5* C4* ga_8 C5* C4* O4* ga_8 C5* C4* C3* ga_7 O4* C4* C3* ga_8 C4* O4* C1* ga_9 O4* C1* N1 ga_8 O4* C1* C2* ga_8 N1 C1* C2* ga_7 C1* N1 C6 ga_26 C1* N1 C2 ga_26 C6 N1 C2 ga_26 N1 C6 C5 ga_26 N1 C2 O2 ga_26 N1 C2 N3 ga_26 O2 C2 N3 ga_26 C2 N3 C4 ga_26 N3 C4 N4 ga_26 N3 C4 C5 ga_26 N4 C4 C5 ga_26 C4 N4 H41 ga_22 C4 N4 H42 ga_22 H41 N4 H42 ga_23 C6 C5 C4 ga_26 C1* C2* C3* ga_7 C1* C2* O2* ga_8 O2* C2* C3* ga_8 C2* O2* H2* ga_11 C4* C3* C2* ga_7 C4* C3* O3* ga_8 C2* C3* O3* ga_8 C3* O3* +N ga_25 [ impropers ] ; ai aj ak al gromos type C4* O4* C5* C3* gi_2 C3* C2* O3* C4* gi_2 C1* N1 O4* C2* gi_2 N1 C6 C2 C1* gi_1 C2 N1 C6 C5 gi_1 C6 N1 C2 N3 gi_1 N1 C6 C5 C4 gi_1 N1 C2 N3 C4 gi_1 C6 C5 C4 N3 gi_1 C2 N3 C4 C5 gi_1 C2 N3 N1 O2 gi_1 C4 C5 N3 N4 gi_1 N4 H41 H42 C4 gi_1 C2* O2* C3* C1* gi_2 [ dihedrals ] ; ai aj ak al gromos type -C -O P O5* gd_11 -C -O P O5* gd_9 -O P O5* C5* gd_11 -O P O5* C5* gd_9 P O5* C5* C4* gd_14 O5* C5* C4* C3* gd_17 O5* C5* C4* C3* gd_7 O5* C5* C4* O4* gd_8 C5* C4* C3* C2* gd_17 C5* C4* C3* O3* gd_7 O4* C4* C3* C2* gd_7 O4* C4* C3* O3* gd_8 C4* C3* C2* C1* gd_17 O3* C3* C2* C1* gd_7 C4* C3* C2* O2* gd_7 O3* C3* C2* O2* gd_8 C3* C2* C1* O4* gd_17 C3* C2* C1* O4* gd_7 O2* C2* C1* N1 gd_7 O2* C2* C1* O4* gd_8 C1* C2* O2* H2* gd_12 C3* C4* O4* C1* gd_14 C4* O4* C1* C2* gd_14 O4* C1* N1 C2 gd_6 N3 C4 N4 H41 gd_4 C4* C3* O3* +N gd_14 [ 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 CR1 0.20000 3 C2 C 0.38000 4 O2 O -0.38000 4 N3 NR -0.28000 5 H3 H 0.28000 5 C4 C 0.38000 6 O4 O -0.38000 6 C5 CR1 0.00000 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_23 P O2P gb_23 P O5* gb_27 O5* C5* gb_19 C5* C4* gb_25 C4* O4* gb_19 C4* C3* gb_25 O4* C1* gb_19 C1* N1 gb_22 C1* C2* gb_25 N1 C6 gb_16 N1 C2 gb_16 C6 C5 gb_15 C2 O2 gb_4 C2 N3 gb_16 N3 H3 gb_2 N3 C4 gb_16 C4 O4 gb_4 C4 C5 gb_15 C2* O2* gb_19 O2* H2* gb_1 C2* C3* gb_25 C3* O3* gb_19 O3* +N gb_27 [ exclusions ] ; ai aj C1* O2 C1* N3 C1* C5 N1 H3 N1 C4 C6 O2 C6 N3 C6 O4 C2 O4 C2 C5 O2 H3 O2 C4 H3 O4 H3 C5 [ angles ] ; ai aj ak gromos type -O P O1P ga_13 -O P O2P ga_13 -O P O5* ga_4 O1P P O2P ga_28 O1P P O5* ga_13 O2P P O5* ga_13 P O5* C5* ga_25 O5* C5* C4* ga_8 C5* C4* O4* ga_8 C5* C4* C3* ga_7 O4* C4* C3* ga_8 C4* O4* C1* ga_9 O4* C1* N1 ga_8 O4* C1* C2* ga_8 N1 C1* C2* ga_7 C1* N1 C6 ga_26 C1* N1 C2 ga_26 C6 N1 C2 ga_26 N1 C6 C5 ga_26 N1 C2 O2 ga_26 N1 C2 N3 ga_26 O2 C2 N3 ga_26 C2 N3 H3 ga_24 C2 N3 C4 ga_26 H3 N3 C4 ga_24 N3 C4 O4 ga_26 N3 C4 C5 ga_26 O4 C4 C5 ga_26 C6 C5 C4 ga_26 C1* C2* C3* ga_7 C1* C2* O2* ga_8 O2* C2* C3* ga_8 C2* O2* H2* ga_11 C4* C3* C2* ga_7 C4* C3* O3* ga_8 C2* C3* O3* ga_8 C3* O3* +N ga_25 [ impropers ] ; ai aj ak al gromos type C4* O4* C5* C3* gi_2 C3* C2* O3* C4* gi_2 C1* N1 O4* C2* gi_2 N1 C6 C2 C1* gi_1 C2 N1 C6 C5 gi_1 C6 N1 C2 N3 gi_1 N1 C6 C5 C4 gi_1 N1 C2 N3 C4 gi_1 C6 C5 C4 N3 gi_1 C2 N3 C4 C5 gi_1 C2 N3 N1 O2 gi_1 N3 C4 C2 H3 gi_1 C4 C5 N3 O4 gi_1 C2* O2* C3* C1* gi_2 [ dihedrals ] ; ai aj ak al gromos type -C -O P O5* gd_11 -C -O P O5* gd_9 -O P O5* C5* gd_11 -O P O5* C5* gd_9 P O5* C5* C4* gd_14 O5* C5* C4* C3* gd_17 O5* C5* C4* C3* gd_7 O5* C5* C4* O4* gd_8 C5* C4* C3* C2* gd_17 C5* C4* C3* O3* gd_7 O4* C4* C3* C2* gd_7 O4* C4* C3* O3* gd_8 C4* C3* C2* C1* gd_17 O3* C3* C2* C1* gd_7 C4* C3* C2* O2* gd_7 O3* C3* C2* O2* gd_8 C3* C2* C1* O4* gd_17 C3* C2* C1* O4* gd_7 O2* C2* C1* N1 gd_7 O2* C2* C1* O4* gd_8 C1* C2* O2* H2* gd_12 C3* C4* O4* C1* gd_14 C4* O4* C1* C2* gd_14 O4* C1* N1 C2 gd_6 C4* C3* O3* +N gd_14 [ 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_16 FC9A FC5A gb_15 FC9A FC9 gb_15 FN10 FC10A gb_16 FN10 FCA gb_22 FC10A FN1 gb_11 FC10A FC4A gb_15 FN1 FC2 gb_11 FC2 FO2 gb_4 FC2 FN3 gb_16 FN3 FH3 gb_2 FN3 FC4 gb_16 FC4 FO4 gb_4 FC4 FC4A gb_15 FC4A FN5 gb_11 FN5 FC5A gb_11 FC5A FC6 gb_15 FC6 FC7 gb_15 FC7 FCM7 gb_26 FC7 FC8 gb_15 FC8 FCM8 gb_26 FC8 FC9 gb_15 FCA FCB gb_26 FCB FOB gb_17 FCB FCG gb_26 FOB FHB gb_1 FCG FOG gb_17 FCG FCD gb_26 FOG FHG gb_1 FCD FOD gb_17 FCD FCE gb_26 FOD FHD gb_1 FCE FOZ gb_17 FOZ FPH gb_27 FPH FOH gb_27 FPH FOT1 gb_23 FPH FOT2 gb_23 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_26 FN10 FC9A FC9 ga_26 FC5A FC9A FC9 ga_26 FC9A FN10 FC10A ga_26 FC9A FN10 FCA ga_26 FC10A FN10 FCA ga_26 FN10 FC10A FN1 ga_26 FN10 FC10A FC4A ga_26 FN1 FC10A FC4A ga_26 FC10A FN1 FC2 ga_26 FN1 FC2 FO2 ga_26 FN1 FC2 FN3 ga_26 FO2 FC2 FN3 ga_26 FC2 FN3 FH3 ga_24 FC2 FN3 FC4 ga_26 FH3 FN3 FC4 ga_24 FN3 FC4 FO4 ga_26 FN3 FC4 FC4A ga_26 FO4 FC4 FC4A ga_26 FC10A FC4A FC4 ga_26 FC10A FC4A FN5 ga_26 FC4 FC4A FN5 ga_26 FC4A FN5 FC5A ga_26 FC9A FC5A FN5 ga_26 FC9A FC5A FC6 ga_26 FN5 FC5A FC6 ga_26 FC5A FC6 FC7 ga_26 FC6 FC7 FCM7 ga_26 FC6 FC7 FC8 ga_26 FCM7 FC7 FC8 ga_26 FC7 FC8 FCM8 ga_26 FC7 FC8 FC9 ga_26 FCM8 FC8 FC9 ga_26 FC9A FC9 FC8 ga_26 FN10 FCA FCB ga_14 FCA FCB FOB ga_14 FCA FCB FCG ga_14 FOB FCB FCG ga_12 FCB FOB FHB ga_11 FCB FCG FOG ga_12 FCB FCG FCD ga_14 FOG FCG FCD ga_12 FCG FOG FHG ga_11 FCG FCD FOD ga_12 FCG FCD FCE ga_14 FOD FCD FCE ga_14 FCD FOD FHD ga_11 FCD FCE FOZ ga_14 FCE FOZ FPH ga_25 FOZ FPH FOH ga_4 FOZ FPH FOT1 ga_13 FOZ FPH FOT2 ga_13 FOH FPH FOT1 ga_13 FOH FPH FOT2 ga_13 FOT1 FPH FOT2 ga_28 FPH FOH FHH ga_11 [ impropers ] ; ai aj ak al gromos type FC2 FN1 FN3 FO2 gi_1 FN3 FC2 FC4 FH3 gi_1 FC4 FN3 FC4A FO4 gi_1 FN1 FC2 FN3 FC4 gi_1 FC2 FN3 FC4 FC4A gi_1 FN3 FC4 FC4A FC10A gi_1 FC4 FC4A FC10A FN1 gi_1 FC4A FC10A FN1 FC2 gi_1 FC10A FN1 FC2 FN3 gi_1 FC4A FC4 FN5 FC10A gi_1 FC10A FN1 FN10 FC4A gi_1 FN10 FC10A FC4A FN5 gi_1 FN10 FC9A FC5A FN5 gi_1 FC5A FN5 FC6 FC9A gi_1 FC9A FN10 FC9 FC5A gi_1 FC5A FC6 FC7 FC8 gi_1 FC6 FC7 FC8 FC9 gi_1 FC7 FC8 FC9 FC9A gi_1 FC8 FC9 FC9A FC5A gi_1 FC9 FC9A FC5A FC6 gi_1 FC9A FC5A FC6 FC7 gi_1 FC7 FC6 FC8 FCM7 gi_1 FC8 FC7 FC9 FCM8 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 FC10A FC4A FN5 FC5A gd_4 FC4A FN5 FC5A FC9A gd_4 FC5A FC9A FN10 FC10A gd_4 FC9A FN10 FC10A FC4A gd_4 FC9A FN10 FCA FCB gd_20 FN10 FCA FCB FCG gd_17 FCA FCB FOB FHB gd_12 FCA FCB FCG FCD gd_17 FCB FCG FOG FHG gd_12 FCB FCG FCD FCE gd_17 FCG FCD FOD FHD gd_12 FCG FCD FCE FOZ gd_17 FCD FCE FOZ FPH gd_14 FCE FOZ FPH FOH gd_11 FCE FOZ FPH FOH gd_9 FOZ FPH FOH FHH gd_11 FOZ FPH FOH FHH gd_9 [ 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_16 FC9A FC5A gb_15 FC9A FC9 gb_15 FN10 FC10A gb_16 FN10 FCA gb_22 FC10A FN1 gb_11 FC10A FC4A gb_15 FN1 FC2 gb_11 FC2 FO2 gb_4 FC2 FN3 gb_16 FN3 FH3 gb_2 FN3 FC4 gb_16 FC4 FO4 gb_4 FC4 FC4A gb_15 FC4A FN5 gb_16 FN5 FH5 gb_2 FN5 FC5A gb_16 FC5A FC6 gb_15 FC6 FC7 gb_15 FC7 FCM7 gb_26 FC7 FC8 gb_15 FC8 FCM8 gb_26 FC8 FC9 gb_15 FCA FCB gb_26 FCB FOB gb_17 FCB FCG gb_26 FOB FHB gb_1 FCG FOG gb_17 FCG FCD gb_26 FOG FHG gb_1 FCD FOD gb_17 FCD FCE gb_26 FOD FHD gb_1 FCE FOZ gb_17 FOZ FPH gb_27 FPH FOH gb_27 FPH FOT1 gb_23 FPH FOT2 gb_23 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_26 FN10 FC9A FC9 ga_26 FC5A FC9A FC9 ga_26 FC9A FN10 FC10A ga_26 FC9A FN10 FCA ga_26 FC10A FN10 FCA ga_26 FN10 FC10A FN1 ga_26 FN10 FC10A FC4A ga_26 FN1 FC10A FC4A ga_26 FC10A FN1 FC2 ga_26 FN1 FC2 FO2 ga_26 FN1 FC2 FN3 ga_26 FO2 FC2 FN3 ga_26 FC2 FN3 FH3 ga_24 FC2 FN3 FC4 ga_26 FH3 FN3 FC4 ga_24 FN3 FC4 FO4 ga_26 FN3 FC4 FC4A ga_26 FO4 FC4 FC4A ga_26 FC10A FC4A FC4 ga_26 FC10A FC4A FN5 ga_26 FC4 FC4A FN5 ga_26 FC4A FN5 FH5 ga_24 FC4A FN5 FC5A ga_26 FH5 FN5 FC5A ga_24 FC9A FC5A FN5 ga_26 FC9A FC5A FC6 ga_26 FN5 FC5A FC6 ga_26 FC5A FC6 FC7 ga_26 FC6 FC7 FCM7 ga_26 FC6 FC7 FC8 ga_26 FCM7 FC7 FC8 ga_26 FC7 FC8 FCM8 ga_26 FC7 FC8 FC9 ga_26 FCM8 FC8 FC9 ga_26 FC9A FC9 FC8 ga_26 FN10 FCA FCB ga_14 FCA FCB FOB ga_14 FCA FCB FCG ga_14 FOB FCB FCG ga_12 FCB FOB FHB ga_11 FCB FCG FOG ga_12 FCB FCG FCD ga_14 FOG FCG FCD ga_12 FCG FOG FHG ga_11 FCG FCD FOD ga_12 FCG FCD FCE ga_14 FOD FCD FCE ga_14 FCD FOD FHD ga_11 FCD FCE FOZ ga_14 FCE FOZ FPH ga_25 FOZ FPH FOH ga_4 FOZ FPH FOT1 ga_13 FOZ FPH FOT2 ga_13 FOH FPH FOT1 ga_13 FOH FPH FOT2 ga_13 FOT1 FPH FOT2 ga_28 FPH FOH FHH ga_11 [ impropers ] ; ai aj ak al gromos type FC2 FN1 FN3 FO2 gi_1 FN3 FC2 FC4 FH3 gi_1 FC4 FN3 FC4A FO4 gi_1 FN1 FC2 FN3 FC4 gi_1 FC2 FN3 FC4 FC4A gi_1 FN3 FC4 FC4A FC10A gi_1 FC4 FC4A FC10A FN1 gi_1 FC4A FC10A FN1 FC2 gi_1 FC10A FN1 FC2 FN3 gi_1 FC4A FC4 FN5 FC10A gi_1 FC10A FN1 FN10 FC4A gi_1 FN10 FC10A FC4A FN5 gi_1 FN10 FC9A FC5A FN5 gi_1 FC5A FN5 FC6 FC9A gi_1 FC9A FN10 FC9 FC5A gi_1 FC5A FC6 FC7 FC8 gi_1 FC6 FC7 FC8 FC9 gi_1 FC7 FC8 FC9 FC9A gi_1 FC8 FC9 FC9A FC5A gi_1 FC9 FC9A FC5A FC6 gi_1 FC9A FC5A FC6 FC7 gi_1 FC7 FC6 FC8 FCM7 gi_1 FC8 FC7 FC9 FCM8 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 FC10A FC4A FN5 FC5A gd_4 FC4A FN5 FC5A FC9A gd_4 FC5A FC9A FN10 FC10A gd_4 FC9A FN10 FC10A FC4A gd_4 FC9A FN10 FCA FCB gd_20 FN10 FCA FCB FCG gd_17 FCA FCB FOB FHB gd_12 FCA FCB FCG FCD gd_17 FCB FCG FOG FHG gd_12 FCB FCG FCD FCE gd_17 FCG FCD FOD FHD gd_12 FCG FCD FCE FOZ gd_17 FCD FCE FOZ FPH gd_14 FCE FOZ FPH FOH gd_11 FCE FOZ FPH FOH gd_9 FOZ FPH FOH FHH gd_11 FOZ FPH FOH FHH gd_9 [ 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_16 FC9A FC5A gb_15 FC9A FC9 gb_15 FN10 FC10A gb_16 FN10 FCA gb_22 FC10A FN1 gb_16 FC10A FC4A gb_15 FN1 FH1 gb_2 FN1 FC2 gb_16 FC2 FO2 gb_14 FC2 FN3 gb_16 FN3 FH3 gb_2 FN3 FC4 gb_16 FC4 FO4 gb_4 FC4 FC4A gb_15 FC4A FN5 gb_16 FN5 FH5 gb_2 FN5 FC5A gb_16 FC5A FC6 gb_15 FC6 FC7 gb_15 FC7 FCM7 gb_26 FC7 FC8 gb_15 FC8 FCM8 gb_26 FC8 FC9 gb_15 FCA FCB gb_26 FCB FOB gb_17 FCB FCG gb_26 FOB FHB gb_1 FCG FOG gb_17 FCG FCD gb_26 FOG FHG gb_1 FCD FOD gb_17 FCD FCE gb_26 FOD FHD gb_1 FCE FOZ gb_17 FOZ FPH gb_27 FPH FOH gb_27 FPH FOT1 gb_23 FPH FOT2 gb_23 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_26 FN10 FC9A FC9 ga_26 FC5A FC9A FC9 ga_26 FC9A FN10 FC10A ga_26 FC9A FN10 FCA ga_26 FC10A FN10 FCA ga_26 FN10 FC10A FN1 ga_26 FN10 FC10A FC4A ga_26 FN1 FC10A FC4A ga_26 FC10A FN1 FH1 ga_24 FC10A FN1 FC2 ga_26 FH1 FN1 FC2 ga_24 FN1 FC2 FO2 ga_26 FN1 FC2 FN3 ga_26 FO2 FC2 FN3 ga_26 FC2 FN3 FH3 ga_24 FC2 FN3 FC4 ga_26 FH3 FN3 FC4 ga_24 FN3 FC4 FO4 ga_26 FN3 FC4 FC4A ga_26 FO4 FC4 FC4A ga_26 FC10A FC4A FC4 ga_26 FC10A FC4A FN5 ga_26 FC4 FC4A FN5 ga_26 FC4A FN5 FH5 ga_24 FC4A FN5 FC5A ga_26 FH5 FN5 FC5A ga_24 FC9A FC5A FN5 ga_26 FC9A FC5A FC6 ga_26 FN5 FC5A FC6 ga_26 FC5A FC6 FC7 ga_26 FC6 FC7 FCM7 ga_26 FC6 FC7 FC8 ga_26 FCM7 FC7 FC8 ga_26 FC7 FC8 FCM8 ga_26 FC7 FC8 FC9 ga_26 FCM8 FC8 FC9 ga_26 FC9A FC9 FC8 ga_26 FN10 FCA FCB ga_14 FCA FCB FOB ga_14 FCA FCB FCG ga_14 FOB FCB FCG ga_12 FCB FOB FHB ga_11 FCB FCG FOG ga_12 FCB FCG FCD ga_14 FOG FCG FCD ga_12 FCG FOG FHG ga_11 FCG FCD FOD ga_12 FCG FCD FCE ga_14 FOD FCD FCE ga_14 FCD FOD FHD ga_11 FCD FCE FOZ ga_14 FCE FOZ FPH ga_25 FOZ FPH FOH ga_4 FOZ FPH FOT1 ga_13 FOZ FPH FOT2 ga_13 FOH FPH FOT1 ga_13 FOH FPH FOT2 ga_13 FOT1 FPH FOT2 ga_28 FPH FOH FHH ga_11 [ impropers ] ; ai aj ak al gromos type FN1 FC10A FC2 FH1 gi_1 FC2 FN1 FN3 FO2 gi_1 FN3 FC2 FC4 FH3 gi_1 FC4 FN3 FC4A FO4 gi_1 FN1 FC2 FN3 FC4 gi_1 FC2 FN3 FC4 FC4A gi_1 FN3 FC4 FC4A FC10A gi_1 FC4 FC4A FC10A FN1 gi_1 FC4A FC10A FN1 FC2 gi_1 FC10A FN1 FC2 FN3 gi_1 FC4A FC4 FN5 FC10A gi_1 FC10A FN1 FN10 FC4A gi_1 FN10 FC10A FC4A FN5 gi_1 FN10 FC9A FC5A FN5 gi_1 FC5A FN5 FC6 FC9A gi_1 FC9A FN10 FC9 FC5A gi_1 FC5A FC6 FC7 FC8 gi_1 FC6 FC7 FC8 FC9 gi_1 FC7 FC8 FC9 FC9A gi_1 FC8 FC9 FC9A FC5A gi_1 FC9 FC9A FC5A FC6 gi_1 FC9A FC5A FC6 FC7 gi_1 FC7 FC6 FC8 FCM7 gi_1 FC8 FC7 FC9 FCM8 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 FC10A FC4A FN5 FC5A gd_4 FC4A FN5 FC5A FC9A gd_4 FC5A FC9A FN10 FC10A gd_4 FC9A FN10 FC10A FC4A gd_4 FC9A FN10 FCA FCB gd_20 FN10 FCA FCB FCG gd_17 FCA FCB FOB FHB gd_12 FCA FCB FCG FCD gd_17 FCB FCG FOG FHG gd_12 FCB FCG FCD FCE gd_17 FCG FCD FOD FHD gd_12 FCG FCD FCE FOZ gd_17 FCD FCE FOZ FPH gd_14 FCE FOZ FPH FOH gd_11 FCE FOZ FPH FOH gd_9 FOZ FPH FOH FHH gd_11 FOZ FPH FOH FHH gd_9 [ 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_15 FC9A FC5A gb_15 FC9A FC9 gb_15 FC10 FC10A gb_15 FC10A FC1 gb_15 FC10A FC4A gb_15 FC1 FC2 gb_15 FC2 FC3 gb_15 FC3 FN3 gb_8 FC3 FC4 gb_15 FN3 FH31 gb_2 FN3 FH32 gb_2 FC4 FC4A gb_15 FC4A FN5 gb_16 FN5 FH5 gb_2 FN5 FC5A gb_16 FC5A FC6 gb_15 FC6 FC7 gb_15 FC7 FN7 gb_8 FC7 FC8 gb_15 FN7 FH71 gb_2 FN7 FH72 gb_2 FC8 FC9 gb_15 [ 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_26 FC10 FC9A FC9 ga_26 FC5A FC9A FC9 ga_26 FC9A FC10 FC10A ga_26 FC10 FC10A FC1 ga_26 FC10 FC10A FC4A ga_26 FC1 FC10A FC4A ga_26 FC10A FC1 FC2 ga_26 FC1 FC2 FC3 ga_26 FC2 FC3 FN3 ga_26 FC2 FC3 FC4 ga_26 FN3 FC3 FC4 ga_26 FC3 FN3 FH31 ga_22 FC3 FN3 FH32 ga_22 FH31 FN3 FH32 ga_23 FC3 FC4 FC4A ga_26 FC10A FC4A FC4 ga_26 FC10A FC4A FN5 ga_26 FC4 FC4A FN5 ga_26 FC4A FN5 FH5 ga_24 FC4A FN5 FC5A ga_26 FH5 FN5 FC5A ga_24 FC9A FC5A FN5 ga_26 FC9A FC5A FC6 ga_26 FN5 FC5A FC6 ga_26 FC5A FC6 FC7 ga_26 FC6 FC7 FN7 ga_26 FC6 FC7 FC8 ga_26 FN7 FC7 FC8 ga_26 FC7 FN7 FH71 ga_22 FC7 FN7 FH72 ga_22 FH71 FN7 FH72 ga_23 FC7 FC8 FC9 ga_26 FC8 FC9 FC9A ga_26 [ impropers ] ; ai aj ak al gromos type FC9A FC10 FC10A FC4A gi_1 FC10 FC10A FC4A FN5 gi_1 FC10A FC4A FN5 FC5A gi_1 FC4A FN5 FC5A FC9A gi_1 FN5 FC5A FC9A FC10 gi_1 FC5A FC9A FC10 FC10A gi_1 FN5 FC4A FC5A FH5 gi_1 FC10A FC1 FC10 FC4A gi_1 FC4A FC4 FN5 FC10A gi_1 FC4A FC10A FC1 FC2 gi_1 FC10A FC1 FC2 FC3 gi_1 FC1 FC2 FC3 FC4 gi_1 FC2 FC3 FC4 FC4A gi_1 FC3 FC4 FC4A FC10A gi_1 FC4 FC4A FC10A FC1 gi_1 FC3 FC2 FC4 FN3 gi_1 FN3 FH31 FH32 FC3 gi_1 FC5A FN5 FC6 FC9A gi_1 FC9A FC10 FC9 FC5A gi_1 FC5A FC6 FC7 FC8 gi_1 FC6 FC7 FC8 FC9 gi_1 FC7 FC8 FC9 FC9A gi_1 FC8 FC9 FC9A FC5A gi_1 FC9 FC9A FC5A FC6 gi_1 FC9A FC5A FC6 FC7 gi_1 FC7 FC8 FC6 FN7 gi_1 FN7 FH71 FH72 FC7 gi_1 [ dihedrals ] ; ai aj ak al gromos type FC2 FC3 FN3 FH31 gd_4 FC8 FC7 FN7 FH71 gd_4 [ 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_23 AP AO2P gb_23 AP AO5* gb_27 AP O3P gb_27 AO5* AC5* gb_19 O3P NP gb_27 NP NO1P gb_23 NP NO2P gb_23 NP NO5* gb_27 NO5* NC5* gb_19 AC5* AC4* gb_25 AC4* AO4* gb_19 AC4* AC3* gb_25 AO4* AC1* gb_19 AC1* AN9 gb_21 AC1* AC2* gb_25 AN9 AC4 gb_9 AN9 AC8 gb_9 AC4 AN3 gb_11 AC4 AC5 gb_15 AN3 AC2 gb_6 AC2 AN1 gb_6 AN1 AC6 gb_11 AC6 AN6 gb_8 AC6 AC5 gb_15 AN6 AH61 gb_2 AN6 AH62 gb_2 AC5 AN7 gb_9 AN7 AC8 gb_9 AC2* AO2* gb_19 AC2* AC3* gb_25 AO2* AH2* gb_1 AC3* AO3* gb_19 AO3* AH3* gb_1 NC5* NC4* gb_25 NC4* NO4* gb_19 NC4* NC3* gb_25 NO4* NC1* gb_19 NC1* NN1 gb_22 NC1* NC2* gb_25 NN1 NC6 gb_16 NN1 NC2 gb_16 NC6 NC5 gb_15 NC2 NC3 gb_15 NC3 NC4 gb_15 NC3 NC7 gb_26 NC4 NC5 gb_15 NC7 NO7 gb_4 NC7 NN7 gb_8 NN7 NH71 gb_2 NN7 NH72 gb_2 NC2* NO2* gb_19 NC2* NC3* gb_25 NO2* NH2* gb_1 NC3* NO3* gb_19 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_28 AO1P AP AO5* ga_13 AO1P AP O3P ga_13 AO2P AP AO5* ga_13 AO2P AP O3P ga_13 AO5* AP O3P ga_4 AP AO5* AC5* ga_25 AP O3P NP ga_25 O3P NP NO1P ga_13 O3P NP NO2P ga_13 O3P NP NO5* ga_4 NO1P NP NO2P ga_28 NO1P NP NO5* ga_13 NO2P NP NO5* ga_13 NP NO5* NC5* ga_25 AO5* AC5* AC4* ga_8 AC5* AC4* AO4* ga_8 AC5* AC4* AC3* ga_7 AO4* AC4* AC3* ga_8 AC4* AO4* AC1* ga_9 AO4* AC1* AN9 ga_8 AO4* AC1* AC2* ga_8 AN9 AC1* AC2* ga_8 AC1* AN9 AC4 ga_36 AC1* AN9 AC8 ga_36 AC4 AN9 AC8 ga_6 AN9 AC4 AN3 ga_38 AN9 AC4 AC5 ga_6 AN3 AC4 AC5 ga_26 AC4 AN3 AC2 ga_26 AN3 AC2 AN1 ga_26 AC2 AN1 AC6 ga_26 AN1 AC6 AN6 ga_26 AN1 AC6 AC5 ga_26 AN6 AC6 AC5 ga_26 AC6 AN6 AH61 ga_22 AC6 AN6 AH62 ga_22 AH61 AN6 AH62 ga_23 AC4 AC5 AC6 ga_26 AC4 AC5 AN7 ga_6 AC6 AC5 AN7 ga_38 AC5 AN7 AC8 ga_6 AN9 AC8 AN7 ga_6 AC1* AC2* AO2* ga_8 AC1* AC2* AC3* ga_7 AO2* AC2* AC3* ga_8 AC2* AO2* AH2* ga_11 AC4* AC3* AC2* ga_7 AC4* AC3* AO3* ga_8 AC2* AC3* AO3* ga_8 AC3* AO3* AH3* ga_11 NO5* NC5* NC4* ga_8 NC5* NC4* NO4* ga_8 NC5* NC4* NC3* ga_7 NO4* NC4* NC3* ga_8 NC4* NO4* NC1* ga_9 NO4* NC1* NN1 ga_8 NO4* NC1* NC2* ga_8 NN1 NC1* NC2* ga_7 NC1* NN1 NC6 ga_26 NC1* NN1 NC2 ga_26 NC6 NN1 NC2 ga_26 NN1 NC6 NC5 ga_26 NN1 NC2 NC3 ga_26 NC2 NC3 NC4 ga_26 NC2 NC3 NC7 ga_26 NC4 NC3 NC7 ga_26 NC3 NC4 NC5 ga_26 NC6 NC5 NC4 ga_26 NC3 NC7 NO7 ga_29 NC3 NC7 NN7 ga_18 NO7 NC7 NN7 ga_32 NC7 NN7 NH71 ga_22 NC7 NN7 NH72 ga_22 NH71 NN7 NH72 ga_23 NC1* NC2* NO2* ga_8 NC1* NC2* NC3* ga_7 NO2* NC2* NC3* ga_8 NC2* NO2* NH2* ga_11 NC4* NC3* NC2* ga_7 NC4* NC3* NO3* ga_8 NC2* NC3* NO3* ga_8 NC3* NO3* NH3* ga_11 [ impropers ] ; ai aj ak al gromos type AC4* AO4* AC5* AC3* gi_2 AC3* AC2* AO3* AC4* gi_2 AC2* AO2* AC3* AC1* gi_2 AC1* AN9 AO4* AC2* gi_2 AN9 AC8 AC4 AC1* gi_1 AC4 AN9 AC8 AN7 gi_1 AC8 AN9 AC4 AC5 gi_1 AN9 AC8 AN7 AC5 gi_1 AN9 AC4 AC5 AN7 gi_1 AC8 AN7 AC5 AC4 gi_1 AC4 AN9 AN3 AC5 gi_1 AC5 AC6 AN7 AC4 gi_1 AN3 AC4 AC5 AC6 gi_1 AC4 AC5 AC6 AN1 gi_1 AC5 AC4 AN3 AC2 gi_1 AC5 AC6 AN1 AC2 gi_1 AC4 AN3 AC2 AN1 gi_1 AN3 AC2 AN1 AC6 gi_1 AC6 AC5 AN1 AN6 gi_1 AN6 AH61 AH62 AC6 gi_1 NC4* NO4* NC5* NC3* gi_2 NC3* NC2* NO3* NC4* gi_2 NC2* NO2* NC3* NC1* gi_2 NC1* NN1 NO4* NC2* gi_2 NN1 NC6 NC2 NC1* gi_1 NC2 NN1 NC6 NC5 gi_1 NC6 NN1 NC2 NC3 gi_1 NN1 NC6 NC5 NC4 gi_1 NN1 NC2 NC3 NC4 gi_1 NC6 NC5 NC4 NC3 gi_1 NC2 NC3 NC4 NC5 gi_1 NC3 NC4 NC2 NC7 gi_1 NC7 NO7 NN7 NC3 gi_1 NN7 NH71 NH72 NC7 gi_1 [ dihedrals ] ; ai aj ak al gromos type AO5* AP O3P NP gd_11 AO5* AP O3P NP gd_9 O3P AP AO5* AC5* gd_11 O3P AP AO5* AC5* gd_9 AP AO5* AC5* AC4* gd_14 AO5* AC5* AC4* AC3* gd_17 AO5* AC5* AC4* AC3* gd_7 AO5* AC5* AC4* AO4* gd_8 AC5* AC4* AC3* AC2* gd_17 AC5* AC4* AC3* AO3* gd_7 AO4* AC4* AC3* AC2* gd_7 AO4* AC4* AC3* AO3* gd_8 AC4* AC3* AC2* AC1* gd_17 AO3* AC3* AC2* AC1* gd_7 AC4* AC3* AC2* AO2* gd_7 AO3* AC3* AC2* AO2* gd_8 AC3* AC2* AC1* AO4* gd_17 AC3* AC2* AC1* AO4* gd_7 AO2* AC2* AC1* AN9 gd_7 AO2* AC2* AC1* AO4* gd_8 AC3* AC4* AO4* AC1* gd_14 AC4* AO4* AC1* AC2* gd_14 AC1* AC2* AO2* AH2* gd_12 AC4* AC3* AO3* AH3* gd_12 AO4* AC1* AN9 AC4 gd_6 AC5 AC6 AN6 AH61 gd_4 AP O3P NP NO5* gd_11 AP O3P NP NO5* gd_9 O3P NP NO5* NC5* gd_11 O3P NP NO5* NC5* gd_9 NP NO5* NC5* NC4* gd_14 NO5* NC5* NC4* NC3* gd_17 NO5* NC5* NC4* NC3* gd_7 NO5* NC5* NC4* NO4* gd_8 NC5* NC4* NC3* NC2* gd_17 NC5* NC4* NC3* NO3* gd_7 NO4* NC4* NC3* NC2* gd_7 NO4* NC4* NC3* NO3* gd_8 NC4* NC3* NC2* NC1* gd_17 NO3* NC3* NC2* NC1* gd_7 NC4* NC3* NC2* NO2* gd_7 NO3* NC3* NC2* NO2* gd_8 NC3* NC2* NC1* NO4* gd_17 NC3* NC2* NC1* NO4* gd_7 NO2* NC2* NC1* NN1 gd_7 NO2* NC2* NC1* NO4* gd_8 NC3* NC4* NO4* NC1* gd_14 NC4* NO4* NC1* NC2* gd_14 NC1* NC2* NO2* NH2* gd_12 NC4* NC3* NO3* NH3* gd_12 NO4* NC1* NN1 NC2 gd_6 NC2 NC3 NC7 NN7 gd_1 NC3 NC7 NN7 NH71 gd_4 [ 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_23 AP AO2P gb_23 AP AO5* gb_27 AP O3P gb_27 AO5* AC5* gb_19 O3P NP gb_27 NP NO1P gb_23 NP NO2P gb_23 NP NO5* gb_27 NO5* NC5* gb_19 AC5* AC4* gb_25 AC4* AO4* gb_19 AC4* AC3* gb_25 AO4* AC1* gb_19 AC1* AN9 gb_21 AC1* AC2* gb_25 AN9 AC4 gb_9 AN9 AC8 gb_9 AC4 AN3 gb_11 AC4 AC5 gb_15 AN3 AC2 gb_6 AC2 AN1 gb_6 AN1 AC6 gb_11 AC6 AN6 gb_8 AC6 AC5 gb_15 AN6 AH61 gb_2 AN6 AH62 gb_2 AC5 AN7 gb_9 AN7 AC8 gb_9 AC2* AO2* gb_19 AC2* AC3* gb_25 AO2* AH2* gb_1 AC3* AO3* gb_19 AO3* AH3* gb_1 NC5* NC4* gb_25 NC4* NO4* gb_19 NC4* NC3* gb_25 NO4* NC1* gb_19 NC1* NN1 gb_22 NC1* NC2* gb_25 NN1 NC6 gb_16 NN1 NC2 gb_16 NC6 NC5 gb_15 NC2 NC3 gb_15 NC3 NC4 gb_14 NC3 NC7 gb_26 NC4 NC5 gb_14 NC7 NO7 gb_4 NC7 NN7 gb_8 NN7 NH71 gb_2 NN7 NH72 gb_2 NC2* NO2* gb_19 NC2* NC3* gb_25 NO2* NH2* gb_1 NC3* NO3* gb_19 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_28 AO1P AP AO5* ga_13 AO1P AP O3P ga_13 AO2P AP AO5* ga_13 AO2P AP O3P ga_13 AO5* AP O3P ga_4 AP AO5* AC5* ga_25 AP O3P NP ga_25 O3P NP NO1P ga_13 O3P NP NO2P ga_13 O3P NP NO5* ga_4 NO1P NP NO2P ga_28 NO1P NP NO5* ga_13 NO2P NP NO5* ga_13 NP NO5* NC5* ga_25 AO5* AC5* AC4* ga_8 AC5* AC4* AO4* ga_8 AC5* AC4* AC3* ga_7 AO4* AC4* AC3* ga_8 AC4* AO4* AC1* ga_9 AO4* AC1* AN9 ga_8 AO4* AC1* AC2* ga_8 AN9 AC1* AC2* ga_8 AC1* AN9 AC4 ga_36 AC1* AN9 AC8 ga_36 AC4 AN9 AC8 ga_6 AN9 AC4 AN3 ga_38 AN9 AC4 AC5 ga_6 AN3 AC4 AC5 ga_26 AC4 AN3 AC2 ga_26 AN3 AC2 AN1 ga_26 AC2 AN1 AC6 ga_26 AN1 AC6 AN6 ga_26 AN1 AC6 AC5 ga_26 AN6 AC6 AC5 ga_26 AC6 AN6 AH61 ga_22 AC6 AN6 AH62 ga_22 AH61 AN6 AH62 ga_23 AC4 AC5 AC6 ga_26 AC4 AC5 AN7 ga_6 AC6 AC5 AN7 ga_38 AC5 AN7 AC8 ga_6 AN9 AC8 AN7 ga_6 AC1* AC2* AO2* ga_8 AC1* AC2* AC3* ga_7 AO2* AC2* AC3* ga_8 AC2* AO2* AH2* ga_11 AC4* AC3* AC2* ga_7 AC4* AC3* AO3* ga_8 AC2* AC3* AO3* ga_8 AC3* AO3* AH3* ga_11 NO5* NC5* NC4* ga_8 NC5* NC4* NO4* ga_8 NC5* NC4* NC3* ga_7 NO4* NC4* NC3* ga_8 NC4* NO4* NC1* ga_9 NO4* NC1* NN1 ga_8 NO4* NC1* NC2* ga_8 NN1 NC1* NC2* ga_7 NC1* NN1 NC6 ga_26 NC1* NN1 NC2 ga_26 NC6 NN1 NC2 ga_26 NN1 NC6 NC5 ga_26 NN1 NC2 NC3 ga_26 NC2 NC3 NC4 ga_26 NC2 NC3 NC7 ga_26 NC4 NC3 NC7 ga_26 NC3 NC4 NC5 ga_26 NC6 NC5 NC4 ga_26 NC3 NC7 NO7 ga_29 NC3 NC7 NN7 ga_18 NO7 NC7 NN7 ga_32 NC7 NN7 NH71 ga_22 NC7 NN7 NH72 ga_22 NH71 NN7 NH72 ga_23 NC1* NC2* NO2* ga_8 NC1* NC2* NC3* ga_7 NO2* NC2* NC3* ga_8 NC2* NO2* NH2* ga_11 NC4* NC3* NC2* ga_7 NC4* NC3* NO3* ga_8 NC2* NC3* NO3* ga_8 NC3* NO3* NH3* ga_11 [ impropers ] ; ai aj ak al gromos type AC4* AO4* AC5* AC3* gi_2 AC3* AC2* AO3* AC4* gi_2 AC2* AO2* AC3* AC1* gi_2 AC1* AN9 AO4* AC2* gi_2 AN9 AC8 AC4 AC1* gi_1 AC4 AN9 AC8 AN7 gi_1 AC8 AN9 AC4 AC5 gi_1 AN9 AC8 AN7 AC5 gi_1 AN9 AC4 AC5 AN7 gi_1 AC8 AN7 AC5 AC4 gi_1 AC4 AN9 AN3 AC5 gi_1 AC5 AC6 AN7 AC4 gi_1 AN3 AC4 AC5 AC6 gi_1 AC4 AC5 AC6 AN1 gi_1 AC5 AC4 AN3 AC2 gi_1 AC5 AC6 AN1 AC2 gi_1 AC4 AN3 AC2 AN1 gi_1 AN3 AC2 AN1 AC6 gi_1 AC6 AC5 AN1 AN6 gi_1 AN6 AH61 AH62 AC6 gi_1 NC4* NO4* NC5* NC3* gi_1 NC3* NC2* NO3* NC4* gi_1 NC2* NO2* NC3* NC1* gi_1 NC1* NN1 NO4* NC2* gi_1 NN1 NC6 NC2 NC1* gi_1 NC2 NN1 NC6 NC5 gi_1 NC6 NN1 NC2 NC3 gi_1 NN1 NC6 NC5 NC4 gi_1 NN1 NC2 NC3 NC4 gi_1 NC6 NC5 NC4 NC3 gi_1 NC2 NC3 NC4 NC5 gi_1 NC3 NC4 NC2 NC7 gi_1 NC7 NO7 NN7 NC3 gi_1 NN7 NH71 NH72 NC7 gi_1 [ dihedrals ] ; ai aj ak al gromos type AO5* AP O3P NP gd_11 AO5* AP O3P NP gd_9 O3P AP AO5* AC5* gd_11 O3P AP AO5* AC5* gd_9 AP AO5* AC5* AC4* gd_14 AO5* AC5* AC4* AC3* gd_17 AO5* AC5* AC4* AC3* gd_7 AO5* AC5* AC4* AO4* gd_8 AC5* AC4* AC3* AC2* gd_17 AC5* AC4* AC3* AO3* gd_7 AO4* AC4* AC3* AC2* gd_7 AO4* AC4* AC3* AO3* gd_8 AC4* AC3* AC2* AC1* gd_17 AO3* AC3* AC2* AC1* gd_7 AC4* AC3* AC2* AO2* gd_7 AO3* AC3* AC2* AO2* gd_8 AC3* AC2* AC1* AO4* gd_17 AC3* AC2* AC1* AO4* gd_7 AO2* AC2* AC1* AN9 gd_7 AO2* AC2* AC1* AO4* gd_8 AC3* AC4* AO4* AC1* gd_14 AC4* AO4* AC1* AC2* gd_14 AC1* AC2* AO2* AH2* gd_12 AC4* AC3* AO3* AH3* gd_12 AO4* AC1* AN9 AC4 gd_6 AC5 AC6 AN6 AH61 gd_4 AP O3P NP NO5* gd_11 AP O3P NP NO5* gd_9 O3P NP NO5* NC5* gd_11 O3P NP NO5* NC5* gd_9 NP NO5* NC5* NC4* gd_14 NO5* NC5* NC4* NC3* gd_17 NO5* NC5* NC4* NC3* gd_7 NO5* NC5* NC4* NO4* gd_8 NC5* NC4* NC3* NC2* gd_17 NC5* NC4* NC3* NO3* gd_7 NO4* NC4* NC3* NC2* gd_7 NO4* NC4* NC3* NO3* gd_8 NC4* NC3* NC2* NC1* gd_17 NO3* NC3* NC2* NC1* gd_7 NC4* NC3* NC2* NO2* gd_7 NO3* NC3* NC2* NO2* gd_8 NC3* NC2* NC1* NO4* gd_17 NC3* NC2* NC1* NO4* gd_7 NO2* NC2* NC1* NN1 gd_7 NO2* NC2* NC1* NO4* gd_8 NC3* NC4* NO4* NC1* gd_14 NC4* NO4* NC1* NC2* gd_14 NC1* NC2* NO2* NH2* gd_12 NC4* NC3* NO3* NH3* gd_12 NO4* NC1* NN1 NC2 gd_6 NC2 NC3 NC7 NN7 gd_1 NC3 NC7 NN7 NH71 gd_4 [ 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_23 AP AO2P gb_23 AP AO5* gb_27 AP O3P gb_27 AO5* AC5* gb_19 O3P NP gb_27 NP NO1P gb_23 NP NO2P gb_23 NP NO5* gb_27 NO5* NC5* gb_19 AC5* AC4* gb_25 AC4* AO4* gb_19 AC4* AC3* gb_25 AO4* AC1* gb_19 AC1* AN9 gb_21 AC1* AC2* gb_25 AN9 AC4 gb_9 AN9 AC8 gb_9 AC4 AN3 gb_11 AC4 AC5 gb_15 AN3 AC2 gb_6 AC2 AN1 gb_6 AN1 AC6 gb_11 AC6 AN6 gb_8 AC6 AC5 gb_15 AN6 AH61 gb_2 AN6 AH62 gb_2 AC5 AN7 gb_9 AN7 AC8 gb_9 AC2* AO2* gb_19 AC2* AC3* gb_25 AO2* AP2* gb_27 AP2* AO6* gb_23 AP2* AO7* gb_23 AP2* AO8* gb_27 AO8* AH8* gb_1 AC3* AO3* gb_19 AO3* AH3* gb_1 NC5* NC4* gb_25 NC4* NO4* gb_19 NC4* NC3* gb_25 NO4* NC1* gb_19 NC1* NN1 gb_22 NC1* NC2* gb_25 NN1 NC6 gb_16 NN1 NC2 gb_16 NC6 NC5 gb_15 NC2 NC3 gb_15 NC3 NC4 gb_14 NC3 NC7 gb_26 NC4 NC5 gb_14 NC7 NO7 gb_4 NC7 NN7 gb_8 NN7 NH71 gb_2 NN7 NH72 gb_2 NC2* NO2* gb_19 NC2* NC3* gb_25 NO2* NH2* gb_1 NC3* NO3* gb_19 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_28 AO1P AP AO5* ga_13 AO1P AP O3P ga_13 AO2P AP AO5* ga_13 AO2P AP O3P ga_13 AO5* AP O3P ga_4 AP AO5* AC5* ga_25 AP O3P NP ga_25 O3P NP NO1P ga_13 O3P NP NO2P ga_13 O3P NP NO5* ga_4 NO1P NP NO2P ga_28 NO1P NP NO5* ga_13 NO2P NP NO5* ga_13 NP NO5* NC5* ga_25 AO5* AC5* AC4* ga_8 AC5* AC4* AO4* ga_8 AC5* AC4* AC3* ga_7 AO4* AC4* AC3* ga_8 AC4* AO4* AC1* ga_9 AO4* AC1* AN9 ga_8 AO4* AC1* AC2* ga_8 AN9 AC1* AC2* ga_8 AC1* AN9 AC4 ga_36 AC1* AN9 AC8 ga_36 AC4 AN9 AC8 ga_6 AN9 AC4 AN3 ga_38 AN9 AC4 AC5 ga_6 AN3 AC4 AC5 ga_26 AC4 AN3 AC2 ga_26 AN3 AC2 AN1 ga_26 AC2 AN1 AC6 ga_26 AN1 AC6 AN6 ga_26 AN1 AC6 AC5 ga_26 AN6 AC6 AC5 ga_26 AC6 AN6 AH61 ga_22 AC6 AN6 AH62 ga_22 AH61 AN6 AH62 ga_23 AC4 AC5 AC6 ga_26 AC4 AC5 AN7 ga_6 AC6 AC5 AN7 ga_38 AC5 AN7 AC8 ga_6 AN9 AC8 AN7 ga_6 AC1* AC2* AO2* ga_8 AC1* AC2* AC3* ga_7 AO2* AC2* AC3* ga_8 AC2* AO2* AP2* ga_25 AO2* AP2* AO6* ga_13 AO2* AP2* AO7* ga_13 AO2* AP2* AO8* ga_4 AO6* AP2* AO7* ga_28 AO6* AP2* AO8* ga_13 AO7* AP2* AO8* ga_13 AP2* AO8* AH8* ga_11 AC4* AC3* AC2* ga_7 AC4* AC3* AO3* ga_8 AC2* AC3* AO3* ga_8 AC3* AO3* AH3* ga_11 NO5* NC5* NC4* ga_8 NC5* NC4* NO4* ga_8 NC5* NC4* NC3* ga_7 NO4* NC4* NC3* ga_8 NC4* NO4* NC1* ga_9 NO4* NC1* NN1 ga_8 NO4* NC1* NC2* ga_8 NN1 NC1* NC2* ga_7 NC1* NN1 NC6 ga_26 NC1* NN1 NC2 ga_26 NC6 NN1 NC2 ga_26 NN1 NC6 NC5 ga_26 NN1 NC2 NC3 ga_26 NC2 NC3 NC4 ga_26 NC2 NC3 NC7 ga_26 NC4 NC3 NC7 ga_26 NC3 NC4 NC5 ga_26 NC6 NC5 NC4 ga_26 NC3 NC7 NO7 ga_29 NC3 NC7 NN7 ga_18 NO7 NC7 NN7 ga_32 NC7 NN7 NH71 ga_22 NC7 NN7 NH72 ga_22 NH71 NN7 NH72 ga_23 NC1* NC2* NO2* ga_8 NC1* NC2* NC3* ga_7 NO2* NC2* NC3* ga_8 NC2* NO2* NH2* ga_11 NC4* NC3* NC2* ga_7 NC4* NC3* NO3* ga_8 NC2* NC3* NO3* ga_8 NC3* NO3* NH3* ga_11 [ impropers ] ; ai aj ak al gromos type AC4* AO4* AC5* AC3* gi_2 AC3* AC2* AO3* AC4* gi_2 AC2* AO2* AC3* AC1* gi_2 AC1* AN9 AO4* AC2* gi_2 AN9 AC8 AC4 AC1* gi_1 AC4 AN9 AC8 AN7 gi_1 AC8 AN9 AC4 AC5 gi_1 AN9 AC8 AN7 AC5 gi_1 AN9 AC4 AC5 AN7 gi_1 AC8 AN7 AC5 AC4 gi_1 AC4 AN9 AN3 AC5 gi_1 AC5 AC6 AN7 AC4 gi_1 AN3 AC4 AC5 AC6 gi_1 AC4 AC5 AC6 AN1 gi_1 AC5 AC4 AN3 AC2 gi_1 AC5 AC6 AN1 AC2 gi_1 AC4 AN3 AC2 AN1 gi_1 AN3 AC2 AN1 AC6 gi_1 AC6 AC5 AN1 AN6 gi_1 AN6 AH61 AH62 AC6 gi_1 NC4* NO4* NC5* NC3* gi_2 NC3* NC2* NO3* NC4* gi_2 NC2* NO2* NC3* NC1* gi_2 NC1* NN1 NO4* NC2* gi_2 NN1 NC6 NC2 NC1* gi_1 NC2 NN1 NC6 NC5 gi_1 NC6 NN1 NC2 NC3 gi_1 NN1 NC6 NC5 NC4 gi_1 NN1 NC2 NC3 NC4 gi_1 NC6 NC5 NC4 NC3 gi_1 NC2 NC3 NC4 NC5 gi_1 NC3 NC4 NC2 NC7 gi_1 NC7 NO7 NN7 NC3 gi_1 NN7 NH71 NH72 NC7 gi_1 [ dihedrals ] ; ai aj ak al gromos type AO5* AP O3P NP gd_11 AO5* AP O3P NP gd_9 O3P AP AO5* AC5* gd_11 O3P AP AO5* AC5* gd_9 AP AO5* AC5* AC4* gd_14 AO5* AC5* AC4* AC3* gd_17 AO5* AC5* AC4* AC3* gd_7 AO5* AC5* AC4* AO4* gd_8 AC5* AC4* AC3* AC2* gd_17 AC5* AC4* AC3* AO3* gd_7 AO4* AC4* AC3* AC2* gd_7 AO4* AC4* AC3* AO3* gd_8 AC4* AC3* AC2* AC1* gd_17 AO3* AC3* AC2* AC1* gd_7 AC4* AC3* AC2* AO2* gd_7 AO3* AC3* AC2* AO2* gd_8 AC3* AC2* AC1* AO4* gd_17 AC3* AC2* AC1* AO4* gd_7 AO2* AC2* AC1* AN9 gd_7 AO2* AC2* AC1* AO4* gd_8 AC3* AC4* AO4* AC1* gd_14 AC4* AO4* AC1* AC2* gd_14 AC1* AC2* AO2* AP2* gd_12 AC2* AO2* AP2* AO8* gd_11 AC2* AO2* AP2* AO8* gd_9 AO2* AP2* AO8* AH8* gd_11 AO2* AP2* AO8* AH8* gd_9 AC4* AC3* AO3* AH3* gd_12 AO4* AC1* AN9 AC4 gd_6 AC5 AC6 AN6 AH61 gd_4 AP O3P NP NO5* gd_11 AP O3P NP NO5* gd_9 O3P NP NO5* NC5* gd_11 O3P NP NO5* NC5* gd_9 NP NO5* NC5* NC4* gd_14 NO5* NC5* NC4* NC3* gd_17 NO5* NC5* NC4* NC3* gd_7 NO5* NC5* NC4* NO4* gd_8 NC5* NC4* NC3* NC2* gd_17 NC5* NC4* NC3* NO3* gd_7 NO4* NC4* NC3* NC2* gd_7 NO4* NC4* NC3* NO3* gd_8 NC4* NC3* NC2* NC1* gd_17 NO3* NC3* NC2* NC1* gd_7 NC4* NC3* NC2* NO2* gd_7 NO3* NC3* NC2* NO2* gd_8 NC3* NC2* NC1* NO4* gd_17 NC3* NC2* NC1* NO4* gd_7 NO2* NC2* NC1* NN1 gd_7 NO2* NC2* NC1* NO4* gd_8 NC3* NC4* NO4* NC1* gd_14 NC4* NO4* NC1* NC2* gd_14 NC1* NC2* NO2* NH2* gd_12 NC4* NC3* NO3* NH3* gd_12 NO4* NC1* NN1 NC2 gd_6 NC2 NC3 NC7 NN7 gd_1 NC3 NC7 NN7 NH71 gd_4 [ 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_23 AP AO2P gb_23 AP AO5* gb_27 AP O3P gb_27 AO5* AC5* gb_19 O3P NP gb_27 NP NO1P gb_23 NP NO2P gb_23 NP NO5* gb_27 NO5* NC5* gb_19 AC5* AC4* gb_25 AC4* AO4* gb_19 AC4* AC3* gb_25 AO4* AC1* gb_19 AC1* AN9 gb_21 AC1* AC2* gb_25 AN9 AC4 gb_9 AN9 AC8 gb_9 AC4 AN3 gb_11 AC4 AC5 gb_15 AN3 AC2 gb_6 AC2 AN1 gb_6 AN1 AC6 gb_11 AC6 AN6 gb_8 AC6 AC5 gb_15 AN6 AH61 gb_2 AN6 AH62 gb_2 AC5 AN7 gb_9 AN7 AC8 gb_9 AC2* AO2* gb_19 AC2* AC3* gb_25 AO2* AP2* gb_27 AP2* AO6* gb_23 AP2* AO7* gb_23 AP2* AO8* gb_27 AO8* AH8* gb_1 AC3* AO3* gb_19 AO3* AH3* gb_1 NC5* NC4* gb_25 NC4* NO4* gb_19 NC4* NC3* gb_25 NO4* NC1* gb_19 NC1* NN1 gb_22 NC1* NC2* gb_25 NN1 NC6 gb_16 NN1 NC2 gb_16 NC6 NC5 gb_15 NC2 NC3 gb_15 NC3 NC4 gb_15 NC3 NC7 gb_26 NC4 NC5 gb_15 NC7 NO7 gb_4 NC7 NN7 gb_8 NN7 NH71 gb_2 NN7 NH72 gb_2 NC2* NO2* gb_19 NC2* NC3* gb_25 NO2* NH2* gb_1 NC3* NO3* gb_19 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_28 AO1P AP AO5* ga_13 AO1P AP O3P ga_13 AO2P AP AO5* ga_13 AO2P AP O3P ga_13 AO5* AP O3P ga_4 AP AO5* AC5* ga_25 AP O3P NP ga_25 O3P NP NO1P ga_13 O3P NP NO2P ga_13 O3P NP NO5* ga_4 NO1P NP NO2P ga_28 NO1P NP NO5* ga_13 NO2P NP NO5* ga_13 NP NO5* NC5* ga_25 AO5* AC5* AC4* ga_8 AC5* AC4* AO4* ga_8 AC5* AC4* AC3* ga_7 AO4* AC4* AC3* ga_8 AC4* AO4* AC1* ga_9 AO4* AC1* AN9 ga_8 AO4* AC1* AC2* ga_8 AN9 AC1* AC2* ga_8 AC1* AN9 AC4 ga_36 AC1* AN9 AC8 ga_36 AC4 AN9 AC8 ga_6 AN9 AC4 AN3 ga_38 AN9 AC4 AC5 ga_6 AN3 AC4 AC5 ga_26 AC4 AN3 AC2 ga_26 AN3 AC2 AN1 ga_26 AC2 AN1 AC6 ga_26 AN1 AC6 AN6 ga_26 AN1 AC6 AC5 ga_26 AN6 AC6 AC5 ga_26 AC6 AN6 AH61 ga_22 AC6 AN6 AH62 ga_22 AH61 AN6 AH62 ga_23 AC4 AC5 AC6 ga_26 AC4 AC5 AN7 ga_6 AC6 AC5 AN7 ga_38 AC5 AN7 AC8 ga_6 AN9 AC8 AN7 ga_6 AC1* AC2* AO2* ga_8 AC1* AC2* AC3* ga_7 AO2* AC2* AC3* ga_8 AC2* AO2* AP2* ga_25 AO2* AP2* AO6* ga_13 AO2* AP2* AO7* ga_13 AO2* AP2* AO8* ga_4 AO6* AP2* AO7* ga_28 AO6* AP2* AO8* ga_13 AO7* AP2* AO8* ga_13 AP2* AO8* AH8* ga_11 AC4* AC3* AC2* ga_7 AC4* AC3* AO3* ga_8 AC2* AC3* AO3* ga_8 AC3* AO3* AH3* ga_11 NO5* NC5* NC4* ga_8 NC5* NC4* NO4* ga_8 NC5* NC4* NC3* ga_7 NO4* NC4* NC3* ga_8 NC4* NO4* NC1* ga_9 NO4* NC1* NN1 ga_8 NO4* NC1* NC2* ga_8 NN1 NC1* NC2* ga_7 NC1* NN1 NC6 ga_26 NC1* NN1 NC2 ga_26 NC6 NN1 NC2 ga_26 NN1 NC6 NC5 ga_26 NN1 NC2 NC3 ga_26 NC2 NC3 NC4 ga_26 NC2 NC3 NC7 ga_26 NC4 NC3 NC7 ga_26 NC3 NC4 NC5 ga_26 NC6 NC5 NC4 ga_26 NC3 NC7 NO7 ga_29 NC3 NC7 NN7 ga_18 NO7 NC7 NN7 ga_32 NC7 NN7 NH71 ga_22 NC7 NN7 NH72 ga_22 NH71 NN7 NH72 ga_23 NC1* NC2* NO2* ga_8 NC1* NC2* NC3* ga_7 NO2* NC2* NC3* ga_8 NC2* NO2* NH2* ga_11 NC4* NC3* NC2* ga_7 NC4* NC3* NO3* ga_8 NC2* NC3* NO3* ga_8 NC3* NO3* NH3* ga_11 [ impropers ] ; ai aj ak al gromos type AC4* AO4* AC5* AC3* gi_2 AC3* AC2* AO3* AC4* gi_2 AC2* AO2* AC3* AC1* gi_2 AC1* AN9 AO4* AC2* gi_2 AN9 AC8 AC4 AC1* gi_1 AC4 AN9 AC8 AN7 gi_1 AC8 AN9 AC4 AC5 gi_1 AN9 AC8 AN7 AC5 gi_1 AN9 AC4 AC5 AN7 gi_1 AC8 AN7 AC5 AC4 gi_1 AC4 AN9 AN3 AC5 gi_1 AC5 AC6 AN7 AC4 gi_1 AN3 AC4 AC5 AC6 gi_1 AC4 AC5 AC6 AN1 gi_1 AC5 AC4 AN3 AC2 gi_1 AC5 AC6 AN1 AC2 gi_1 AC4 AN3 AC2 AN1 gi_1 AN3 AC2 AN1 AC6 gi_1 AC6 AC5 AN1 AN6 gi_1 AN6 AH61 AH62 AC6 gi_1 NC4* NO4* NC5* NC3* gi_2 NC3* NC2* NO3* NC4* gi_2 NC2* NO2* NC3* NC1* gi_2 NC1* NN1 NO4* NC2* gi_2 NN1 NC6 NC2 NC1* gi_1 NC2 NN1 NC6 NC5 gi_1 NC6 NN1 NC2 NC3 gi_1 NN1 NC6 NC5 NC4 gi_1 NN1 NC2 NC3 NC4 gi_1 NC6 NC5 NC4 NC3 gi_1 NC2 NC3 NC4 NC5 gi_1 NC3 NC4 NC2 NC7 gi_1 NC7 NO7 NN7 NC3 gi_1 NN7 NH71 NH72 NC7 gi_1 [ dihedrals ] ; ai aj ak al gromos type AO5* AP O3P NP gd_11 AO5* AP O3P NP gd_9 O3P AP AO5* AC5* gd_11 O3P AP AO5* AC5* gd_9 AP AO5* AC5* AC4* gd_14 AO5* AC5* AC4* AC3* gd_17 AO5* AC5* AC4* AC3* gd_7 AO5* AC5* AC4* AO4* gd_8 AC5* AC4* AC3* AC2* gd_17 AC5* AC4* AC3* AO3* gd_7 AO4* AC4* AC3* AC2* gd_7 AO4* AC4* AC3* AO3* gd_8 AC4* AC3* AC2* AC1* gd_17 AO3* AC3* AC2* AC1* gd_7 AC4* AC3* AC2* AO2* gd_7 AO3* AC3* AC2* AO2* gd_8 AC3* AC2* AC1* AO4* gd_17 AC3* AC2* AC1* AO4* gd_7 AO2* AC2* AC1* AN9 gd_7 AO2* AC2* AC1* AO4* gd_8 AC3* AC4* AO4* AC1* gd_14 AC4* AO4* AC1* AC2* gd_14 AC1* AC2* AO2* AP2* gd_12 AC2* AO2* AP2* AO8* gd_11 AC2* AO2* AP2* AO8* gd_9 AO2* AP2* AO8* AH8* gd_11 AO2* AP2* AO8* AH8* gd_9 AC4* AC3* AO3* AH3* gd_12 AO4* AC1* AN9 AC4 gd_6 AC5 AC6 AN6 AH61 gd_4 AP O3P NP NO5* gd_11 AP O3P NP NO5* gd_9 O3P NP NO5* NC5* gd_11 O3P NP NO5* NC5* gd_9 NP NO5* NC5* NC4* gd_14 NO5* NC5* NC4* NC3* gd_17 NO5* NC5* NC4* NC3* gd_7 NO5* NC5* NC4* NO4* gd_8 NC5* NC4* NC3* NC2* gd_17 NC5* NC4* NC3* NO3* gd_7 NO4* NC4* NC3* NC2* gd_7 NO4* NC4* NC3* NO3* gd_8 NC4* NC3* NC2* NC1* gd_17 NO3* NC3* NC2* NC1* gd_7 NC4* NC3* NC2* NO2* gd_7 NO3* NC3* NC2* NO2* gd_8 NC3* NC2* NC1* NO4* gd_17 NC3* NC2* NC1* NO4* gd_7 NO2* NC2* NC1* NN1 gd_7 NO2* NC2* NC1* NO4* gd_8 NC3* NC4* NO4* NC1* gd_14 NC4* NO4* NC1* NC2* gd_14 NC1* NC2* NO2* NH2* gd_12 NC4* NC3* NO3* NH3* gd_12 NO4* NC1* NN1 NC2 gd_6 NC2 NC3 NC7 NN7 gd_1 NC3 NC7 NN7 NH71 gd_4 [ 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_27 AO1P AH1P gb_1 AP AO2P gb_23 AP AO5* gb_27 AP O3P gb_27 AO5* AC5* gb_19 O3P NP gb_27 NP NO1P gb_27 NO1P NH1P gb_1 NP NO2P gb_23 NP NO5* gb_27 NO5* NC5* gb_19 AC5* AC4* gb_25 AC4* AO4* gb_19 AC4* AC3* gb_25 AO4* AC1* gb_19 AC1* AN9 gb_21 AC1* AC2* gb_25 AN9 AC4 gb_9 AN9 AC8 gb_9 AC4 AN3 gb_11 AC4 AC5 gb_15 AN3 AC2 gb_6 AC2 AN1 gb_6 AN1 AC6 gb_11 AC6 AN6 gb_8 AC6 AC5 gb_15 AN6 AH61 gb_2 AN6 AH62 gb_2 AC5 AN7 gb_9 AN7 AC8 gb_9 AC2* AO2* gb_19 AC2* AC3* gb_25 AO2* AP2* gb_27 AP2* AO6* gb_23 AP2* AO7* gb_27 AP2* AO8* gb_27 AO7* AH7* gb_1 AO8* AH8* gb_1 AC3* AO3* gb_19 AO3* AH3* gb_1 NC5* NC4* gb_25 NC4* NO4* gb_19 NC4* NC3* gb_25 NO4* NC1* gb_19 NC1* NN1 gb_22 NC1* NC2* gb_25 NN1 NC6 gb_16 NN1 NC2 gb_16 NC6 NC5 gb_15 NC2 NC3 gb_15 NC3 NC4 gb_14 NC3 NC7 gb_26 NC4 NC5 gb_14 NC7 NO7 gb_4 NC7 NN7 gb_8 NN7 NH71 gb_2 NN7 NH72 gb_2 NC2* NO2* gb_19 NC2* NC3* gb_25 NO2* NH2* gb_1 NC3* NO3* gb_19 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 AP AO1P AH1P ga_11 AO1P AP AO2P ga_13 AO1P AP AO5* ga_13 AO1P AP O3P ga_13 AO2P AP AO5* ga_13 AO2P AP O3P ga_13 AO5* AP O3P ga_13 AP AO5* AC5* ga_25 AP O3P NP ga_25 O3P NP NO1P ga_13 O3P NP NO2P ga_13 O3P NP NO5* ga_13 NO1P NP NO2P ga_13 NO1P NP NO5* ga_13 NO2P NP NO5* ga_13 NP NO1P NH1P ga_11 NP NO5* NC5* ga_25 AO5* AC5* AC4* ga_8 AC5* AC4* AO4* ga_8 AC5* AC4* AC3* ga_7 AO4* AC4* AC3* ga_8 AC4* AO4* AC1* ga_9 AO4* AC1* AN9 ga_8 AO4* AC1* AC2* ga_8 AN9 AC1* AC2* ga_8 AC1* AN9 AC4 ga_36 AC1* AN9 AC8 ga_36 AC4 AN9 AC8 ga_6 AN9 AC4 AN3 ga_38 AN9 AC4 AC5 ga_6 AC5 AC4 AN3 ga_26 AC4 AN3 AC2 ga_26 AN3 AC2 AN1 ga_26 AC2 AN1 AC6 ga_26 AN1 AC6 AN6 ga_26 AN1 AC6 AC5 ga_26 AN6 AC6 AC5 ga_26 AC6 AN6 AH61 ga_22 AC6 AN6 AH62 ga_22 AH61 AN6 AH62 ga_23 AC4 AC5 AC6 ga_26 AC4 AC5 AN7 ga_6 AC6 AC5 AN7 ga_38 AC5 AN7 AC8 ga_6 AN9 AC8 AN7 ga_6 AC1* AC2* AO2* ga_8 AC1* AC2* AC3* ga_7 AO2* AC2* AC3* ga_8 AC2* AO2* AP2* ga_25 AO2* AP2* AO6* ga_13 AO2* AP2* AO7* ga_13 AO2* AP2* AO8* ga_13 AO6* AP2* AO7* ga_13 AO6* AP2* AO8* ga_13 AO7* AP2* AO8* ga_13 AP2* AO7* AH7* ga_11 AP2* AO8* AH8* ga_11 AC4* AC3* AC2* ga_7 AC4* AC3* AO3* ga_8 AC2* AC3* AO3* ga_8 AC3* AO3* AH3* ga_11 NO5* NC5* NC4* ga_8 NC5* NC4* NO4* ga_8 NC5* NC4* NC3* ga_7 NO4* NC4* NC3* ga_8 NC4* NO4* NC1* ga_9 NO4* NC1* NN1 ga_8 NO4* NC1* NC2* ga_8 NN1 NC1* NC2* ga_7 NC1* NN1 NC6 ga_26 NC1* NN1 NC2 ga_26 NC6 NN1 NC2 ga_26 NN1 NC6 NC5 ga_26 NN1 NC2 NC3 ga_26 NC2 NC3 NC4 ga_26 NC2 NC3 NC7 ga_26 NC4 NC3 NC7 ga_26 NC3 NC4 NC5 ga_26 NC6 NC5 NC4 ga_26 NC3 NC7 NO7 ga_29 NC3 NC7 NN7 ga_18 NO7 NC7 NN7 ga_32 NC7 NN7 NH71 ga_22 NC7 NN7 NH72 ga_22 NH71 NN7 NH72 ga_23 NC1* NC2* NO2* ga_8 NC1* NC2* NC3* ga_7 NO2* NC2* NC3* ga_8 NC2* NO2* NH2* ga_11 NC4* NC3* NC2* ga_7 NC4* NC3* NO3* ga_8 NC2* NC3* NO3* ga_8 NC3* NO3* NH3* ga_11 [ impropers ] ; ai aj ak al gromos type AC4* AO4* AC5* AC3* gi_2 AC3* AC2* AO3* AC4* gi_2 AC2* AO2* AC3* AC1* gi_2 AC1* AN9 AO4* AC2* gi_2 AN9 AC8 AC4 AC1* gi_1 AC4 AN9 AC8 AN7 gi_1 AC8 AN9 AC4 AC5 gi_1 AN9 AC8 AN7 AC5 gi_1 AN9 AC4 AC5 AN7 gi_1 AC8 AN7 AC5 AC4 gi_1 AC4 AN9 AN3 AC5 gi_1 AC5 AC6 AN7 AC4 gi_1 AN3 AC4 AC5 AC6 gi_1 AC4 AC5 AC6 AN1 gi_1 AC5 AC4 AN3 AC2 gi_1 AC5 AC6 AN1 AC2 gi_1 AC4 AN3 AC2 AN1 gi_1 AN3 AC2 AN1 AC6 gi_1 AC6 AC5 AN1 AN6 gi_1 AN6 AH61 AH62 AC6 gi_1 NC4* NO4* NC5* NC3* gi_2 NC3* NC2* NO3* NC4* gi_2 NC2* NO2* NC3* NC1* gi_2 NC1* NN1 NO4* NC2* gi_2 NN1 NC6 NC2 NC1* gi_1 NC2 NN1 NC6 NC5 gi_1 NC6 NN1 NC2 NC3 gi_1 NN1 NC6 NC5 NC4 gi_1 NN1 NC2 NC3 NC4 gi_1 NC6 NC5 NC4 NC3 gi_1 NC2 NC3 NC4 NC5 gi_1 NC3 NC4 NC2 NC7 gi_1 NC7 NO7 NN7 NC3 gi_1 NN7 NH71 NH72 NC7 gi_1 [ dihedrals ] ; ai aj ak al gromos type AO5* AP AO1P AH1P gd_11 AO5* AP AO1P AH1P gd_9 AO5* AP O3P NP gd_11 AO5* AP O3P NP gd_9 O3P AP AO5* AC5* gd_11 O3P AP AO5* AC5* gd_9 AP AO5* AC5* AC4* gd_14 AO5* AC5* AC4* AC3* gd_17 AO5* AC5* AC4* AC3* gd_7 AO5* AC5* AC4* AO4* gd_8 AC5* AC4* AC3* AC2* gd_17 AC5* AC4* AC3* AO3* gd_7 AO4* AC4* AC3* AC2* gd_7 AO4* AC4* AC3* AO3* gd_8 AC4* AC3* AC2* AC1* gd_17 AO3* AC3* AC2* AC1* gd_7 AC4* AC3* AC2* AO2* gd_7 AO3* AC3* AC2* AO2* gd_8 AC3* AC2* AC1* AO4* gd_17 AC3* AC2* AC1* AO4* gd_7 AO2* AC2* AC1* AN9 gd_7 AO2* AC2* AC1* AO4* gd_8 AC3* AC4* AO4* AC1* gd_14 AC4* AO4* AC1* AC2* gd_14 AC1* AC2* AO2* AP2* gd_12 AC2* AO2* AP2* AO8* gd_11 AC2* AO2* AP2* AO8* gd_9 AO2* AP2* AO8* AH8* gd_11 AO2* AP2* AO8* AH8* gd_9 AO2* AP2* AO7* AH7* gd_11 AO2* AP2* AO7* AH7* gd_9 AC4* AC3* AO3* AH3* gd_12 AO4* AC1* AN9 AC4 gd_6 AC5 AC6 AN6 AH61 gd_4 AP O3P NP NO5* gd_11 AP O3P NP NO5* gd_9 O3P NP NO5* NC5* gd_11 O3P NP NO5* NC5* gd_9 NO5* NP NO1P NH1P gd_11 NO5* NP NO1P NH1P gd_9 NP NO5* NC5* NC4* gd_14 NO5* NC5* NC4* NC3* gd_17 NO5* NC5* NC4* NC3* gd_7 NO5* NC5* NC4* NO4* gd_8 NC5* NC4* NC3* NC2* gd_17 NC5* NC4* NC3* NO3* gd_7 NO4* NC4* NC3* NC2* gd_7 NO4* NC4* NC3* NO3* gd_8 NC4* NC3* NC2* NC1* gd_17 NO3* NC3* NC2* NC1* gd_7 NC4* NC3* NC2* NO2* gd_7 NO3* NC3* NC2* NO2* gd_8 NC3* NC2* NC1* NO4* gd_17 NC3* NC2* NC1* NO4* gd_7 NO2* NC2* NC1* NN1 gd_7 NO2* NC2* NC1* NO4* gd_8 NC3* NC4* NO4* NC1* gd_14 NC4* NO4* NC1* NC2* gd_14 NC1* NC2* NO2* NH2* gd_12 NC4* NC3* NO3* NH3* gd_12 NO4* NC1* NN1 NC2 gd_6 NC2 NC3 NC7 NN7 gd_1 NC3 NC7 NN7 NH71 gd_4 [ GLCA ] [ atoms ] C1 CH1 0.40000 0 O5 OA -0.36000 0 C5 CH1 0.16000 0 C6 CH2 0.15000 1 O6 OA -0.54800 1 H6 H 0.39800 1 C2 CH1 0.15000 2 O2 OA -0.54800 2 H2 H 0.39800 2 C3 CH1 0.15000 3 O3 OA -0.54800 3 H3 H 0.39800 3 C4 CH1 0.160 4 O4 OA -0.360 4 [ bonds ] C1 O5 gb_19 C1 C2 gb_25 O5 C5 gb_19 C5 C6 gb_25 C5 C4 gb_25 C6 O6 gb_19 O6 H6 gb_1 C2 O2 gb_19 C2 C3 gb_25 O2 H2 gb_1 C3 O3 gb_19 C3 C4 gb_25 O3 H3 gb_1 C4 O4 gb_19 O4 +N gb_19 [ angles ] ; ai aj ak gromos type -O C1 O5 ga_8 -O C1 C2 ga_8 O5 C1 C2 ga_8 C1 O5 C5 ga_9 O5 C5 C6 ga_8 O5 C5 C4 ga_8 C6 C5 C4 ga_7 C5 C6 O6 ga_8 C6 O6 H6 ga_11 C1 C2 O2 ga_8 C1 C2 C3 ga_7 O2 C2 C3 ga_8 C2 O2 H2 ga_11 C2 C3 O3 ga_8 C2 C3 C4 ga_7 O3 C3 C4 ga_8 C3 O3 H3 ga_11 C5 C4 C3 ga_7 C5 C4 O4 ga_8 C3 C4 O4 ga_8 C4 O4 +N ga_9 [ impropers ] ; ai aj ak al gromos type C1 O5 -O C2 gi_2 C5 O5 C6 C4 gi_2 C2 O2 C3 C1 gi_2 C3 O3 C2 C4 gi_2 C4 C3 O4 C5 gi_2 [ dihedrals ] ; ai aj ak al gromos type -C -O C1 C2 gd_14 -O C1 C2 C3 gd_17 -O C1 C2 C3 gd_7 O5 C1 C2 C3 gd_7 O5 C1 C2 O2 gd_8 -O C1 C2 O2 gd_8 C1 C2 O2 H2 gd_12 C1 C2 C3 C4 gd_17 C1 C2 C3 O3 gd_7 O2 C2 C3 C4 gd_7 O2 C2 C3 O3 gd_8 C2 C3 O3 H3 gd_12 C2 C3 C4 C5 gd_17 C2 C3 C4 O4 gd_7 O3 C3 C4 C5 gd_7 O3 C3 C4 O4 gd_8 C2 C1 O5 C5 gd_14 C1 O5 C5 C4 gd_14 C4 C5 C6 O6 gd_17 C4 C5 C6 O6 gd_7 O5 C5 C6 O6 gd_8 C5 C6 O6 H6 gd_12 C6 C5 C4 C3 gd_17 O5 C5 C4 C3 gd_7 C6 C5 C4 O4 gd_7 O5 C5 C4 O4 gd_8 C3 C4 O4 +N gd_14 [ GLCB ] [ atoms ] C1 CH1 0.40000 0 O5 OA -0.36000 0 C5 CH1 0.16000 0 C6 CH2 0.15000 1 O6 OA -0.54800 1 H6 H 0.39800 1 C3 CH1 0.15000 2 O3 OA -0.54800 2 H3 H 0.39800 2 C4 CH1 0.15000 3 O4 OA -0.54800 3 H4 H 0.39800 3 C2 CH1 0.160 4 O2 OA -0.360 4 [ bonds ] C1 O5 gb_19 C1 C2 gb_25 O5 C5 gb_19 C5 C6 gb_25 C5 C4 gb_25 C6 O6 gb_19 O6 H6 gb_1 C3 O3 gb_19 C3 C4 gb_25 C3 C2 gb_25 O3 H3 gb_1 C4 O4 gb_19 O4 H4 gb_1 C2 O2 gb_19 O2 +N gb_19 [ angles ] ; ai aj ak gromos type -O C1 O5 ga_8 -O C1 C2 ga_8 O5 C1 C2 ga_8 C1 O5 C5 ga_9 O5 C5 C6 ga_8 O5 C5 C4 ga_8 C6 C5 C4 ga_7 C5 C6 O6 ga_8 C6 O6 H6 ga_11 C4 C3 O3 ga_8 C4 C3 C2 ga_7 O3 C3 C2 ga_8 C3 O3 H3 ga_11 C5 C4 O4 ga_8 C5 C4 C3 ga_7 C3 C4 O4 ga_8 C4 O4 H4 ga_11 C1 C2 C3 ga_7 C1 C2 O2 ga_8 C3 C2 O2 ga_8 C2 O2 +N ga_9 [ impropers ] ; ai aj ak al gromos type C1 -O O5 C2 gi_2 C5 O5 C6 C4 gi_2 C3 O3 C2 C4 gi_2 C4 C3 O4 C5 gi_2 C2 O2 C3 C1 gi_2 [ dihedrals ] ; ai aj ak al gromos type -C -O C1 C2 gd_14 -O C1 C2 C3 gd_17 -O C1 C2 C3 gd_7 O5 C1 C2 C3 gd_7 O5 C1 C2 O2 gd_8 -O C1 C2 O2 gd_8 C1 C2 C3 C4 gd_17 C1 C2 C3 O3 gd_7 O2 C2 C3 C4 gd_7 O2 C2 C3 O3 gd_8 C2 C3 O3 H3 gd_12 C2 C3 C4 C5 gd_17 C2 C3 C4 O4 gd_7 O3 C3 C4 C5 gd_7 O3 C3 C4 O4 gd_8 C3 C4 O4 H4 gd_12 C2 C1 O5 C5 gd_14 C1 O5 C5 C4 gd_14 C4 C5 C6 O6 gd_17 C4 C5 C6 O6 gd_7 O5 C5 C6 O6 gd_8 C5 C6 O6 H6 gd_12 C6 C5 C4 C3 gd_17 O5 C5 C4 C3 gd_7 C6 C5 C4 O4 gd_7 O5 C5 C4 O4 gd_8 C1 C2 O2 +N gd_14 [ GALB ] [ atoms ] C1 CH1 0.40000 0 O5 OA -0.36000 0 C5 CH1 0.16000 0 C6 CH2 0.15000 1 O6 OA -0.54800 1 H6 H 0.39800 1 C2 CH1 0.15000 2 O2 OA -0.54800 2 H2 H 0.39800 2 C4 CH1 0.15000 3 O4 OA -0.54800 3 H4 H 0.39800 3 C3 CH1 0.160 4 O3 OA -0.360 4 [ bonds ] C1 O5 gb_19 C1 C2 gb_25 O5 C5 gb_19 C5 C6 gb_25 C5 C4 gb_25 C6 O6 gb_19 O6 H6 gb_1 C2 O2 gb_19 C2 C3 gb_25 O2 H2 gb_1 C4 O4 gb_19 C4 C3 gb_25 O4 H4 gb_1 C3 O3 gb_19 O3 +N gb_19 [ angles ] ; ai aj ak gromos type -O C1 O5 ga_8 -O C1 C2 ga_8 O5 C1 C2 ga_8 C1 O5 C5 ga_9 O5 C5 C6 ga_8 O5 C5 C4 ga_8 C6 C5 C4 ga_7 C5 C6 O6 ga_8 C6 O6 H6 ga_11 C1 C2 O2 ga_8 C1 C2 C3 ga_7 O2 C2 C3 ga_8 C2 O2 H2 ga_11 C5 C4 O4 ga_8 C5 C4 C3 ga_7 O4 C4 C3 ga_8 C4 O4 H4 ga_11 C2 C3 C4 ga_7 C2 C3 O3 ga_8 C4 C3 O3 ga_8 C3 O3 +N ga_9 [ impropers ] ; ai aj ak al gromos type C1 -O O5 C2 gi_2 C5 O5 C6 C4 gi_2 C2 O2 C3 C1 gi_2 C4 O4 C3 C5 gi_2 C3 O3 C2 C4 gi_2 [ dihedrals ] ; ai aj ak al gromos type -C -O C1 C2 gd_14 -O C1 C2 C3 gd_17 -O C1 C2 C3 gd_7 O5 C1 C2 C3 gd_7 O5 C1 C2 O2 gd_8 -O C1 C2 O2 gd_8 C1 C2 O2 H2 gd_12 C1 C2 C3 C4 gd_17 C1 C2 C3 O3 gd_7 O2 C2 C3 C4 gd_7 O2 C2 C3 O3 gd_8 C2 C3 C4 C5 gd_17 C2 C3 C4 O4 gd_7 O3 C3 C4 C5 gd_7 O3 C3 C4 O4 gd_8 C3 C4 O4 H4 gd_12 C2 C1 O5 C5 gd_14 C1 O5 C5 C4 gd_14 C4 C5 C6 O6 gd_17 C4 C5 C6 O6 gd_7 O5 C5 C6 O6 gd_8 C5 C6 O6 H6 gd_12 C6 C5 C4 C3 gd_17 O5 C5 C4 C3 gd_7 C6 C5 C4 O4 gd_7 O5 C5 C4 O4 gd_8 C2 C3 O3 +N gd_14 [ 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_34 FE NB gb_34 FE NC gb_34 FE ND gb_34 NA C1A gb_13 NA C4A gb_13 NB C1B gb_13 NB C4B gb_13 NC C1C gb_13 NC C4C gb_13 ND C1D gb_13 ND C4D gb_13 CHA HHA gb_3 CHA C1A gb_16 CHA C4D gb_16 C1A C2A gb_16 C2A C3A gb_16 C2A CAA gb_26 C3A C4A gb_16 C3A CMA gb_26 C4A CHB gb_16 CAA CBA gb_26 CBA CGA gb_26 CGA O1A gb_5 CGA O2A gb_5 CHB HHB gb_3 CHB C1B gb_16 C1B C2B gb_16 C2B C3B gb_16 C2B CMB gb_26 C3B C4B gb_16 C3B CAB gb_26 C4B CHC gb_16 CAB CBB gb_11 CHC HHC gb_3 CHC C1C gb_16 C1C C2C gb_16 C2C C3C gb_16 C2C CMC gb_26 C3C C4C gb_16 C3C CAC gb_26 C4C CHD gb_16 CAC CBC gb_11 CHD HHD gb_3 CHD C1D gb_16 C1D C2D gb_16 C2D C3D gb_16 C2D CMD gb_26 C3D C4D gb_16 C3D CAD gb_26 CAD CBD gb_26 CBD CGD gb_26 CGD O1D gb_5 CGD O2D gb_5 [ 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_1 NB FE NC ga_1 NC FE ND ga_1 NA FE ND ga_1 FE NA C1A ga_35 FE NA C4A ga_35 C1A NA C4A ga_5 FE NB C1B ga_35 FE NB C4B ga_35 C1B NB C4B ga_5 FE NC C1C ga_35 FE NC C4C ga_35 C1C NC C4C ga_5 FE ND C1D ga_35 FE ND C4D ga_35 C1D ND C4D ga_5 C1A CHA HHA ga_19 C1A CHA C4D ga_36 HHA CHA C4D ga_19 NA C1A CHA ga_32 NA C1A C2A ga_14 CHA C1A C2A ga_37 C1A C2A C3A ga_6 C1A C2A CAA ga_36 C3A C2A CAA ga_36 C2A C3A C4A ga_6 C2A C3A CMA ga_36 C4A C3A CMA ga_36 NA C4A C3A ga_14 NA C4A CHB ga_32 C3A C4A CHB ga_37 C2A CAA CBA ga_14 CAA CBA CGA ga_14 CBA CGA O1A ga_21 CBA CGA O2A ga_21 O1A CGA O2A ga_37 C4A CHB HHB ga_19 C4A CHB C1B ga_36 HHB CHB C1B ga_19 NB C1B CHB ga_32 NB C1B C2B ga_14 CHB C1B C2B ga_37 C1B C2B C3B ga_6 C1B C2B CMB ga_36 C3B C2B CMB ga_36 C2B C3B C4B ga_6 C2B C3B CAB ga_36 C4B C3B CAB ga_36 NB C4B C3B ga_14 NB C4B CHC ga_32 C3B C4B CHC ga_37 C3B CAB CBB ga_36 C4B CHC HHC ga_19 C4B CHC C1C ga_36 HHC CHC C1C ga_19 NC C1C CHC ga_32 NC C1C C2C ga_14 CHC C1C C2C ga_37 C1C C2C C3C ga_6 C1C C2C CMC ga_36 C3C C2C CMC ga_36 C2C C3C C4C ga_6 C2C C3C CAC ga_36 C4C C3C CAC ga_36 NC C4C C3C ga_14 NC C4C CHD ga_32 C3C C4C CHD ga_37 C3C CAC CBC ga_36 C4C CHD HHD ga_19 C4C CHD C1D ga_36 HHD CHD C1D ga_19 ND C1D CHD ga_32 ND C1D C2D ga_14 CHD C1D C2D ga_37 C1D C2D C3D ga_6 C1D C2D CMD ga_36 C3D C2D CMD ga_36 C2D C3D C4D ga_6 C2D C3D CAD ga_36 C4D C3D CAD ga_36 ND C4D CHA ga_32 ND C4D C3D ga_14 CHA C4D C3D ga_37 C3D CAD CBD ga_14 CAD CBD CGD ga_14 CBD CGD O1D ga_21 CBD CGD O2D ga_21 O1D CGD O2D ga_37 [ 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 CHA NA C2A C1A gi_1 CHB NA C3A C4A gi_1 CHB NB C2B C1B gi_1 CHC NB C3B C4B gi_1 CHC NC C2C C1C gi_1 CHD NC C3C C4C gi_1 CHD ND C2D C1D gi_1 CHA ND C3D C4D gi_1 C2A C1A C3A CAA gi_1 C3A C2A C4A CMA gi_1 C2B C1B C3B CMB gi_1 C3B C2B C4B CAB gi_1 C2C C1C C3C CMC gi_1 C3C C2C C4C CAC gi_1 C2D C1D C3D CMD gi_1 C3D C2D C4D CAD gi_1 CBA O1A O2A CGA gi_1 CBD O1D O2D CGD gi_1 CHA C4D C1A HHA gi_1 CHB C4A C1B HHB gi_1 CHC C4B C1C HHC gi_1 CHD C4C C1D HHD gi_1 NA C1A C2A C3A gi_1 C1A C2A C3A C4A gi_1 C2A C3A C4A NA gi_1 C1A NA C4A C3A gi_1 C2A C1A NA C4A gi_1 NB C1B C2B C3B gi_1 C1B C2B C3B C4B gi_1 NB C4B C3B C2B gi_1 C4B NB C1B C2B gi_1 C1B NB C4B C3B gi_1 NC C1C C2C C3C gi_1 C1C C2C C3C C4C gi_1 NC C4C C3C C2C gi_1 C4C NC C1C C2C gi_1 C1C NC C4C C3C gi_1 ND C1D C2D C3D gi_1 C1D C2D C3D C4D gi_1 ND C4D C3D C2D gi_1 C4D ND C1D C2D gi_1 C1D ND C4D C3D gi_1 [ dihedrals ] ; ai aj ak al gromos type NA C4A CHB C1B gd_5 C4A CHB C1B NB gd_5 NB C4B CHC C1C gd_5 C4B CHC C1C NC gd_5 NC C4C CHD C1D gd_5 C4C CHD C1D ND gd_5 ND C4D CHA C1A gd_5 C4D CHA C1A NA gd_5 C1A C2A CAA CBA gd_20 C2A CAA CBA CGA gd_17 CAA CBA CGA O1A gd_20 C2B C3B CAB CBB gd_3 C2C C3C CAC CBC gd_3 C2D C3D CAD CBD gd_20 C3D CAD CBD CGD gd_17 CAD CBD CGD O1D gd_20 ND FE NA C1A 0 0 4 NA FE NB C1B 0 0 4 NB FE NC C1C 0 0 4 NC FE ND C1D 0 0 4 [ CYT* ] [ 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* CH2 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_19 C4* C3* gb_25 C4* C5* gb_25 O4* C1* gb_19 C1* N1 gb_22 C1* C2* gb_25 N1 C6 gb_16 N1 C2 gb_16 C6 C5 gb_15 C2 O2 gb_4 C2 N3 gb_11 N3 C4 gb_11 C4 N4 gb_8 C4 C5 gb_15 N4 H41 gb_2 N4 H42 gb_2 C2* O2* gb_19 C2* C3* gb_25 O2* H2* gb_1 C3* O3* gb_19 O3* SI1 gb_28 SI1 OSI gb_28 SI1 C11 gb_31 SI1 C12 gb_31 OSI SI2 gb_28 SI2 O5* gb_28 SI2 C21 gb_31 SI2 C22 gb_31 O5* C5* gb_19 C11 C111 gb_26 C11 C112 gb_26 C12 C121 gb_26 C12 C122 gb_26 C21 C211 gb_26 C21 C212 gb_26 C22 C221 gb_26 C22 C222 gb_26 [ 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_8 O4* C4* C5* ga_8 C3* C4* C5* ga_7 C4* O4* C1* ga_9 O4* C1* N1 ga_8 O4* C1* C2* ga_8 N1 C1* C2* ga_7 C1* N1 C6 ga_26 C1* N1 C2 ga_26 C6 N1 C2 ga_26 N1 C6 C5 ga_26 N1 C2 O2 ga_26 N1 C2 N3 ga_26 O2 C2 N3 ga_26 C2 N3 C4 ga_26 N3 C4 N4 ga_26 N3 C4 C5 ga_26 N4 C4 C5 ga_26 C4 N4 H41 ga_22 C4 N4 H42 ga_22 H41 N4 H42 ga_23 C6 C5 C4 ga_26 C1* C2* O2* ga_8 C1* C2* C3* ga_7 O2* C2* C3* ga_8 C2* O2* H2* ga_11 C4* C3* C2* ga_7 C4* C3* O3* ga_8 C2* C3* O3* ga_8 C3* O3* SI1 ga_25 O3* SI1 OSI ga_11 O3* SI1 C11 ga_11 O3* SI1 C12 ga_11 OSI SI1 C11 ga_11 OSI SI1 C12 ga_11 C11 SI1 C12 ga_11 SI1 OSI SI2 ga_39 OSI SI2 O5* ga_11 OSI SI2 C21 ga_11 OSI SI2 C22 ga_11 O5* SI2 C21 ga_11 O5* SI2 C22 ga_11 C21 SI2 C22 ga_11 SI2 O5* C5* ga_25 C4* C5* O5* ga_8 SI1 C11 C111 ga_12 SI1 C11 C112 ga_12 C111 C11 C112 ga_14 SI1 C12 C121 ga_12 SI1 C12 C122 ga_12 C121 C12 C122 ga_14 SI2 C21 C211 ga_12 SI2 C21 C212 ga_12 C211 C21 C212 ga_14 SI2 C22 C221 ga_12 SI2 C22 C222 ga_12 C221 C22 C222 ga_14 [ impropers ] ; ai aj ak al gromos type C4* O4* C5* C3* gi_2 C3* C2* O3* C4* gi_2 C2* O2* C3* C1* gi_2 C1* N1 O4* C2* gi_2 N1 C6 C2 C1* gi_1 C2 N1 C6 C5 gi_1 C6 N1 C2 N3 gi_1 N1 C6 C5 C4 gi_1 N1 C2 N3 C4 gi_1 C6 C5 C4 N3 gi_1 C2 N3 C4 C5 gi_1 C2 N3 N1 O2 gi_1 C4 C5 N3 N4 gi_1 N4 H41 H42 C4 gi_1 C11 C112 C111 SI1 gi_2 C12 C122 C121 SI1 gi_2 C21 C212 C211 SI2 gi_2 C22 C222 C221 SI2 gi_2 [ dihedrals ] ; ai aj ak al gromos type O5* C5* C4* C3* gd_17 O5* C5* C4* C3* gd_7 O5* C5* C4* O4* gd_8 C5* C4* C3* C2* gd_17 C5* C4* C3* O3* gd_7 O4* C4* C3* C2* gd_7 O4* C4* C3* O3* gd_8 C4* C3* C2* C1* gd_17 O3* C3* C2* C1* gd_7 C4* C3* C2* O2* gd_7 O3* C3* C2* O2* gd_8 C3* C2* C1* O4* gd_17 C3* C2* C1* O4* gd_7 O2* C2* C1* N1 gd_7 O2* C2* C1* O4* gd_8 C3* C4* O4* C1* gd_14 C4* O4* C1* C2* gd_14 O4* C1* N1 C2 gd_6 N3 C4 N4 H41 gd_4 C1* C2* O2* H2* gd_12 C4* C3* O3* SI1 gd_14 C3* O3* SI1 OSI gd_14 O3* SI1 OSI SI2 gd_14 SI1 OSI SI2 O5* gd_14 OSI SI2 O5* C5* gd_14 SI2 O5* C5* C4* gd_14 O3* SI1 C11 C111 gd_17 O3* SI1 C12 C121 gd_17 O5* SI2 C21 C211 gd_17 O5* SI2 C22 C221 gd_17 [ 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_16 N1 C8A gb_16 C2 NA2 gb_8 C2 N3 gb_11 NA2 HA21 gb_2 NA2 HA22 gb_2 N3 C4 gb_11 C4 NA4 gb_8 C4 C4A gb_15 NA4 HA41 gb_2 NA4 HA42 gb_2 C4A N5 gb_11 C4A C8A gb_15 N5 C6 gb_11 C6 C7 gb_15 C6 C9 gb_26 C7 N8 gb_6 N8 C8A gb_11 C9 N10 gb_20 N10 CM10 gb_20 N10 C14 gb_10 C14 C13 gb_15 C14 C15 gb_15 C13 C12 gb_15 C15 C16 gb_15 C12 C11 gb_15 C16 C11 gb_15 C11 C gb_26 C O gb_4 C N gb_9 N H gb_2 N CA gb_20 CA CB gb_26 CA CT gb_26 CB CG gb_26 CG CD gb_26 CD OE1 gb_5 CD OE2 gb_5 CT O1 gb_5 CT O2 gb_5 [ 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_24 HA1 N1 C8A ga_24 C2 N1 C8A ga_26 N1 C2 NA2 ga_26 N1 C2 N3 ga_26 NA2 C2 N3 ga_26 C2 NA2 HA21 ga_22 C2 NA2 HA22 ga_22 HA21 NA2 HA22 ga_23 C2 N3 C4 ga_26 N3 C4 NA4 ga_26 N3 C4 C4A ga_26 NA4 C4 C4A ga_26 C4 NA4 HA41 ga_22 C4 NA4 HA42 ga_22 HA41 NA4 HA42 ga_23 C4 C4A N5 ga_26 C4 C4A C8A ga_26 N5 C4A C8A ga_26 C4A N5 C6 ga_26 N5 C6 C7 ga_26 N5 C6 C9 ga_26 C7 C6 C9 ga_26 C6 C7 N8 ga_26 C7 N8 C8A ga_26 N1 C8A C4A ga_26 N1 C8A N8 ga_26 C4A C8A N8 ga_26 C6 C9 N10 ga_14 C9 N10 CM10 ga_19 C9 N10 C14 ga_32 CM10 N10 C14 ga_22 N10 C14 C13 ga_26 N10 C14 C15 ga_26 C13 C14 C15 ga_26 C14 C13 C12 ga_26 C14 C15 C16 ga_26 C13 C12 C11 ga_26 C15 C16 C11 ga_26 C12 C11 C16 ga_26 C12 C11 C ga_26 C16 C11 C ga_26 C11 C O ga_29 C11 C N ga_18 O C N ga_32 C N H ga_31 C N CA ga_30 H N CA ga_17 N CA CB ga_12 N CA CT ga_12 CB CA CT ga_12 CA CB CG ga_14 CB CG CD ga_14 CG CD OE1 ga_21 CG CD OE2 ga_21 OE1 CD OE2 ga_37 CA CT O1 ga_21 CA CT O2 ga_21 O1 CT O2 ga_37 [ impropers ] ; ai aj ak al gromos type N1 C2 C8A HA1 gi_1 C2 N1 N3 NA2 gi_1 NA2 HA21 HA22 C2 gi_1 C4 N3 C4A NA4 gi_1 NA4 HA41 HA42 C4 gi_1 N1 C2 N3 C4 gi_1 C2 N3 C4 C4A gi_1 N3 C4 C4A C8A gi_1 C4 C4A C8A N1 gi_1 C4A C8A N1 C2 gi_1 C8A N1 C2 N3 gi_1 C4A C4 N5 C8A gi_1 C8A N1 N8 C4A gi_1 C4A N5 C6 C7 gi_1 N5 C6 C7 N8 gi_1 C6 C7 N8 C8A gi_1 C7 N8 C8A C4A gi_1 N8 C8A C4A N5 gi_1 C8A C4A N5 C6 gi_1 C6 N5 C7 C9 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 C15 C14 C13 C12 gi_1 C13 C12 C11 C16 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_4 C4A C4 NA4 HA41 gd_4 N5 C6 C9 N10 gd_20 C6 C9 N10 C14 gd_19 C9 N10 C14 C13 gd_4 C12 C11 C N gd_1 C11 C N CA gd_4 C N CA CT gd_19 N CA CT O1 gd_20 N CA CB CG gd_17 CA CB CG CD gd_17 CB CG CD OE1 gd_20 [ 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_11 N1 C8A gb_11 C2 NA2 gb_8 C2 N3 gb_16 NA2 HA21 gb_2 NA2 HA22 gb_2 N3 HA3 gb_2 N3 C4 gb_16 C4 OA4 gb_4 C4 C4A gb_15 C4A N5 gb_11 C4A C8A gb_15 N5 C6 gb_11 C6 C7 gb_15 C6 C9 gb_26 C7 N8 gb_6 N8 C8A gb_11 C9 N10 gb_20 N10 H10 gb_2 N10 C14 gb_10 C14 C13 gb_15 C14 C15 gb_15 C13 C12 gb_15 C15 C16 gb_15 C12 C11 gb_15 C16 C11 gb_15 C11 C gb_26 C O gb_4 C N gb_9 N H gb_2 N CA gb_20 CA CB gb_26 CA CT gb_26 CB CG gb_26 CG CD gb_26 CD OE1 gb_5 CD OE2 gb_5 CT O1 gb_5 CT O2 gb_5 [ 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_26 N1 C2 NA2 ga_26 N1 C2 N3 ga_26 NA2 C2 N3 ga_26 C2 NA2 HA21 ga_22 C2 NA2 HA22 ga_22 HA21 NA2 HA22 ga_23 C2 N3 HA3 ga_24 C2 N3 C4 ga_26 HA3 N3 C4 ga_24 N3 C4 OA4 ga_26 N3 C4 C4A ga_26 OA4 C4 C4A ga_26 C4 C4A N5 ga_26 C4 C4A C8A ga_26 N5 C4A C8A ga_26 C4A N5 C6 ga_26 N5 C6 C7 ga_26 N5 C6 C9 ga_26 C7 C6 C9 ga_26 C6 C7 N8 ga_26 C7 N8 C8A ga_26 N1 C8A C4A ga_26 N1 C8A N8 ga_26 C4A C8A N8 ga_26 C6 C9 N10 ga_14 C9 N10 H10 ga_19 C9 N10 C14 ga_32 H10 N10 C14 ga_22 N10 C14 C13 ga_26 N10 C14 C15 ga_26 C13 C14 C15 ga_26 C14 C13 C12 ga_26 C14 C15 C16 ga_26 C13 C12 C11 ga_26 C15 C16 C11 ga_26 C12 C11 C16 ga_26 C12 C11 C ga_26 C16 C11 C ga_26 C11 C O ga_29 C11 C N ga_18 O C N ga_32 C N H ga_31 C N CA ga_30 H N CA ga_17 N CA CB ga_12 N CA CT ga_12 CB CA CT ga_12 CA CB CG ga_14 CB CG CD ga_14 CG CD OE1 ga_21 CG CD OE2 ga_21 OE1 CD OE2 ga_37 CA CT O1 ga_21 CA CT O2 ga_21 O1 CT O2 ga_37 [ impropers ] ; ai aj ak al gromos type C2 N1 N3 NA2 gi_1 NA2 HA21 HA22 C2 gi_1 N3 C2 C4 HA3 gi_1 C4 N3 C4A OA4 gi_1 N1 C2 N3 C4 gi_1 C2 N3 C4 C4A gi_1 N3 C4 C4A C8A gi_1 C4 C4A C8A N1 gi_1 C4A C8A N1 C2 gi_1 C8A N1 C2 N3 gi_1 C4A C4 N5 C8A gi_1 C8A N1 N8 C4A gi_1 C4A N5 C6 C7 gi_1 N5 C6 C7 N8 gi_1 C6 C7 N8 C8A gi_1 C7 N8 C8A C4A gi_1 N8 C8A C4A N5 gi_1 C8A C4A N5 C6 gi_1 C6 N5 C7 C9 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 C15 C14 C13 C12 gi_1 C13 C12 C11 C16 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_4 N5 C6 C9 N10 gd_20 C6 C9 N10 C14 gd_19 C9 N10 C14 C13 gd_4 C12 C11 C N gd_1 C11 C N CA gd_4 C N CA CT gd_19 N CA CT O1 gd_20 N CA CB CG gd_17 CA CB CG CD gd_17 CB CG CD OE1 gd_20 [ 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_11 N1 C8A gb_11 C2 NA2 gb_8 C2 N3 gb_16 NA2 HA21 gb_2 NA2 HA22 gb_2 N3 HA3 gb_2 N3 C4 gb_16 C4 OA4 gb_4 C4 C4A gb_15 C4A N5 gb_11 C4A C8A gb_15 N5 C6 gb_11 C6 C7 gb_14 C6 C9 gb_26 C7 N8 gb_16 N8 HA8 gb_2 N8 C8A gb_16 C9 N10 gb_20 N10 H10 gb_2 N10 C14 gb_10 C14 C13 gb_15 C14 C15 gb_15 C13 C12 gb_15 C15 C16 gb_15 C12 C11 gb_15 C16 C11 gb_15 C11 C gb_26 C O gb_4 C N gb_9 N H gb_2 N CA gb_20 CA CB gb_26 CA CT gb_26 CB CG gb_26 CG CD gb_26 CD OE1 gb_5 CD OE2 gb_5 CT O1 gb_5 CT O2 gb_5 [ 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_26 N1 C2 NA2 ga_26 N1 C2 N3 ga_26 NA2 C2 N3 ga_26 C2 NA2 HA21 ga_22 C2 NA2 HA22 ga_22 HA21 NA2 HA22 ga_23 C2 N3 HA3 ga_24 C2 N3 C4 ga_26 HA3 N3 C4 ga_24 N3 C4 OA4 ga_26 N3 C4 C4A ga_26 OA4 C4 C4A ga_26 C4 C4A N5 ga_26 C4 C4A C8A ga_26 N5 C4A C8A ga_26 C4A N5 C6 ga_26 N5 C6 C7 ga_26 N5 C6 C9 ga_26 C7 C6 C9 ga_26 C6 C7 N8 ga_26 C7 N8 HA8 ga_24 C7 N8 C8A ga_26 HA8 N8 C8A ga_24 N1 C8A C4A ga_26 N1 C8A N8 ga_26 C4A C8A N8 ga_26 C6 C9 N10 ga_14 C9 N10 H10 ga_19 C9 N10 C14 ga_32 H10 N10 C14 ga_22 N10 C14 C13 ga_26 N10 C14 C15 ga_26 C13 C14 C15 ga_26 C14 C13 C12 ga_26 C14 C15 C16 ga_26 C13 C12 C11 ga_26 C15 C16 C11 ga_26 C12 C11 C16 ga_26 C12 C11 C ga_26 C16 C11 C ga_26 C11 C O ga_29 C11 C N ga_18 O C N ga_32 C N H ga_31 C N CA ga_30 H N CA ga_17 N CA CB ga_12 N CA CT ga_12 CB CA CT ga_12 CA CB CG ga_14 CB CG CD ga_14 CG CD OE1 ga_21 CG CD OE2 ga_21 OE1 CD OE2 ga_37 CA CT O1 ga_21 CA CT O2 ga_21 O1 CT O2 ga_37 [ impropers ] ; ai aj ak al gromos type C2 N1 N3 NA2 gi_1 NA2 HA21 HA22 C2 gi_1 N3 C2 C4 HA3 gi_1 C4 N3 C4A OA4 gi_1 N1 C2 N3 C4 gi_1 C2 N3 C4 C4A gi_1 N3 C4 C4A C8A gi_1 C4 C4A C8A N1 gi_1 C4A C8A N1 C2 gi_1 C8A N1 C2 N3 gi_1 C4A C4 N5 C8A gi_1 C8A N1 N8 C4A gi_1 C4A N5 C6 C7 gi_1 N5 C6 C7 N8 gi_1 C6 C7 N8 C8A gi_1 C7 N8 C8A C4A gi_1 N8 C8A C4A N5 gi_1 C8A C4A N5 C6 gi_1 N8 C7 C8A HA8 gi_1 C6 N5 C7 C9 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 C15 C14 C13 C12 gi_1 C13 C12 C11 C16 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_4 N5 C6 C9 N10 gd_20 C6 C9 N10 C14 gd_19 C9 N10 C14 C13 gd_4 C12 C11 C N gd_1 C11 C N CA gd_4 C N CA CT gd_19 N CA CT O1 gd_20 N CA CB CG gd_17 CA CB CG CD gd_17 CB CG CD OE1 gd_20 [ 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_11 N1 C8A gb_11 C2 NA2 gb_8 C2 N3 gb_16 NA2 HA21 gb_2 NA2 HA22 gb_2 N3 HA3 gb_2 N3 C4 gb_16 C4 OA4 gb_4 C4 C4A gb_15 C4A N5 gb_16 C4A C8A gb_15 N5 HA5 gb_2 N5 C6 gb_22 C6 C7 gb_25 C6 C9 gb_26 C7 N8 gb_22 N8 HA8 gb_2 N8 C8A gb_16 C9 N10 gb_20 N10 H10 gb_2 N10 C14 gb_10 C14 C13 gb_15 C14 C15 gb_15 C13 C12 gb_15 C15 C16 gb_15 C12 C11 gb_15 C16 C11 gb_15 C11 C gb_26 C O gb_4 C N gb_9 N H gb_2 N CA gb_20 CA CB gb_26 CA CT gb_26 CB CG gb_26 CG CD gb_26 CD OE1 gb_5 CD OE2 gb_5 CT O1 gb_5 CT O2 gb_5 [ 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_26 N1 C2 NA2 ga_26 N1 C2 N3 ga_26 NA2 C2 N3 ga_26 C2 NA2 HA21 ga_22 C2 NA2 HA22 ga_22 HA21 NA2 HA22 ga_23 C2 N3 HA3 ga_24 C2 N3 C4 ga_26 HA3 N3 C4 ga_24 N3 C4 OA4 ga_26 N3 C4 C4A ga_26 OA4 C4 C4A ga_26 C4 C4A N5 ga_26 C4 C4A C8A ga_26 N5 C4A C8A ga_26 C4A N5 HA5 ga_24 C4A N5 C6 ga_26 HA5 N5 C6 ga_24 N5 C6 C7 ga_7 N5 C6 C9 ga_7 C7 C6 C9 ga_7 C6 C7 N8 ga_7 C7 N8 HA8 ga_24 C7 N8 C8A ga_26 HA8 N8 C8A ga_24 N1 C8A C4A ga_26 N1 C8A N8 ga_26 C4A C8A N8 ga_26 C6 C9 N10 ga_14 C9 N10 H10 ga_19 C9 N10 C14 ga_32 H10 N10 C14 ga_22 N10 C14 C13 ga_26 N10 C14 C15 ga_26 C13 C14 C15 ga_26 C14 C13 C12 ga_26 C14 C15 C16 ga_26 C13 C12 C11 ga_26 C15 C16 C11 ga_26 C12 C11 C16 ga_26 C12 C11 C ga_26 C16 C11 C ga_26 C11 C O ga_29 C11 C N ga_18 O C N ga_32 C N H ga_31 C N CA ga_30 H N CA ga_17 N CA CB ga_12 N CA CT ga_12 CB CA CT ga_12 CA CB CG ga_14 CB CG CD ga_14 CG CD OE1 ga_21 CG CD OE2 ga_21 OE1 CD OE2 ga_37 CA CT O1 ga_21 CA CT O2 ga_21 O1 CT O2 ga_37 [ impropers ] ; ai aj ak al gromos type C2 N1 N3 NA2 gi_1 NA2 HA21 HA22 C2 gi_1 N3 C2 C4 HA3 gi_1 C4 N3 C4A OA4 gi_1 N1 C2 N3 C4 gi_1 C2 N3 C4 C4A gi_1 N3 C4 C4A C8A gi_1 C4 C4A C8A N1 gi_1 C4A C8A N1 C2 gi_1 C8A N1 C2 N3 gi_1 C4A C4 N5 C8A gi_1 C8A N1 N8 C4A gi_1 C4A N5 C6 C7 gi_1 N5 C6 C7 N8 gi_1 C6 C7 N8 C8A gi_1 C7 N8 C8A C4A gi_1 N8 C8A C4A N5 gi_1 C8A C4A N5 C6 gi_1 N5 C4A C6 HA5 gi_1 N8 C7 C8A HA8 gi_1 C6 N5 C7 C9 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 C15 C14 C13 C12 gi_1 C13 C12 C11 C16 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_4 N5 C6 C9 N10 gd_20 C6 C9 N10 C14 gd_19 C9 N10 C14 C13 gd_4 C12 C11 C N gd_1 C11 C N CA gd_4 C N CA CT gd_19 N CA CT O1 gd_20 N CA CB CG gd_17 CA CB CG CD gd_17 CB CG CD OE1 gd_20 [ 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_11 N1 C6 gb_6 C2 NA2 gb_8 C2 N3 gb_11 NA2 HA21 gb_2 NA2 HA22 gb_2 N3 C4 gb_11 C4 NA4 gb_8 C4 C5 gb_15 NA4 HA41 gb_2 NA4 HA42 gb_2 C5 C6 gb_15 C5 C7 gb_26 C7 C11 gb_26 C11 C12 gb_15 C11 C16 gb_15 C12 C13 gb_15 C16 C15 gb_15 C13 O13 gb_12 C13 C14 gb_15 O13 CM13 gb_17 C15 O15 gb_12 C15 C14 gb_15 O15 CM15 gb_17 C14 O14 gb_12 O14 CM14 gb_17 [ 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_26 N1 C2 NA2 ga_26 N1 C2 N3 ga_26 NA2 C2 N3 ga_26 C2 NA2 HA21 ga_22 C2 NA2 HA22 ga_22 HA21 NA2 HA22 ga_23 C2 N3 C4 ga_26 N3 C4 NA4 ga_26 N3 C4 C5 ga_26 NA4 C4 C5 ga_26 C4 NA4 HA41 ga_22 C4 NA4 HA42 ga_22 HA41 NA4 HA42 ga_23 C4 C5 C6 ga_26 C4 C5 C7 ga_26 C6 C5 C7 ga_26 N1 C6 C5 ga_26 C5 C7 C11 ga_14 C7 C11 C12 ga_26 C7 C11 C16 ga_26 C12 C11 C16 ga_26 C11 C12 C13 ga_26 C11 C16 C15 ga_26 C12 C13 O13 ga_26 C12 C13 C14 ga_26 O13 C13 C14 ga_26 C13 O13 CM13 ga_19 C16 C15 O15 ga_26 C16 C15 C14 ga_26 O15 C15 C14 ga_26 C15 O15 CM15 ga_19 C13 C14 C15 ga_26 C13 C14 O14 ga_26 C15 C14 O14 ga_26 C14 O14 CM14 ga_19 [ impropers ] ; ai aj ak al gromos type C2 N1 N3 NA2 gi_1 NA2 HA21 HA22 C2 gi_1 C4 N3 C5 NA4 gi_1 NA4 HA41 HA42 C4 gi_1 N1 C2 N3 C4 gi_1 C2 N3 C4 C5 gi_1 N3 C4 C5 C6 gi_1 C4 C5 C6 N1 gi_1 C5 C6 N1 C2 gi_1 C6 N1 C2 N3 gi_1 C5 C4 C6 C7 gi_1 C11 C12 C16 C7 gi_1 C11 C12 C13 C14 gi_1 C11 C16 C15 C14 gi_1 C12 C13 C14 C15 gi_1 C12 C11 C16 C15 gi_1 C16 C15 C14 C13 gi_1 C16 C11 C12 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_4 C5 C4 NA4 HA41 gd_4 C4 C5 C7 C11 gd_20 C5 C7 C11 C12 gd_20 C12 C13 O13 CM13 gd_2 C12 C13 O13 CM13 gd_3 C16 C15 O15 CM15 gd_2 C16 C15 O15 CM15 gd_3 C13 C14 O14 CM14 gd_2 [ 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_16 N1 C6 gb_16 C2 NA2 gb_8 C2 N3 gb_11 NA2 HA21 gb_2 NA2 HA22 gb_2 N3 C4 gb_11 C4 NA4 gb_8 C4 C5 gb_15 NA4 HA41 gb_2 NA4 HA42 gb_2 C5 C6 gb_15 C5 C7 gb_26 C7 C11 gb_26 C11 C12 gb_15 C11 C16 gb_15 C12 C13 gb_15 C16 C15 gb_15 C13 O13 gb_12 C13 C14 gb_15 O13 CM13 gb_17 C15 O15 gb_12 C15 C14 gb_15 O15 CM15 gb_17 C14 O14 gb_12 O14 CM14 gb_17 [ 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_24 HA1 N1 C6 ga_24 C2 N1 C6 ga_26 N1 C2 NA2 ga_26 N1 C2 N3 ga_26 NA2 C2 N3 ga_26 C2 NA2 HA21 ga_22 C2 NA2 HA22 ga_22 HA21 NA2 HA22 ga_23 C2 N3 C4 ga_26 N3 C4 NA4 ga_26 N3 C4 C5 ga_26 NA4 C4 C5 ga_26 C4 NA4 HA41 ga_22 C4 NA4 HA42 ga_22 HA41 NA4 HA42 ga_23 C4 C5 C6 ga_26 C4 C5 C7 ga_26 C6 C5 C7 ga_26 N1 C6 C5 ga_26 C5 C7 C11 ga_14 C7 C11 C12 ga_26 C7 C11 C16 ga_26 C12 C11 C16 ga_26 C11 C12 C13 ga_26 C11 C16 C15 ga_26 C12 C13 O13 ga_26 C12 C13 C14 ga_26 O13 C13 C14 ga_26 C13 O13 CM13 ga_19 C16 C15 O15 ga_26 C16 C15 C14 ga_26 O15 C15 C14 ga_26 C15 O15 CM15 ga_19 C13 C14 C15 ga_26 C13 C14 O14 ga_26 C15 C14 O14 ga_26 C14 O14 CM14 ga_19 [ impropers ] ; ai aj ak al gromos type N1 C2 C6 HA1 gi_1 C2 N1 N3 NA2 gi_1 NA2 HA21 HA22 C2 gi_1 C4 N3 C5 NA4 gi_1 NA4 HA41 HA42 C4 gi_1 N1 C2 N3 C4 gi_1 C2 N3 C4 C5 gi_1 N3 C4 C5 C6 gi_1 C4 C5 C6 N1 gi_1 C5 C6 N1 C2 gi_1 C6 N1 C2 N3 gi_1 C5 C4 C6 C7 gi_1 C11 C12 C16 C7 gi_1 C11 C12 C13 C14 gi_1 C11 C16 C15 C14 gi_1 C12 C13 C14 C15 gi_1 C12 C11 C16 C15 gi_1 C16 C15 C14 C13 gi_1 C16 C11 C12 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_4 C5 C4 NA4 HA41 gd_4 C4 C5 C7 C11 gd_20 C5 C7 C11 C12 gd_20 C12 C13 O13 CM13 gd_2 C12 C13 O13 CM13 gd_3 C16 C15 O15 CM15 gd_2 C16 C15 O15 CM15 gd_3 C13 C14 O14 CM14 gd_2 [ 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_16 N1 C6 gb_16 C2 NA2 gb_8 C2 N3 gb_11 NA2 HA21 gb_2 NA2 HA22 gb_2 N3 C4 gb_11 C4 NA4 gb_8 C4 C5 gb_15 NA4 HA41 gb_2 NA4 HA42 gb_2 C5 C6 gb_15 C5 C7 gb_26 C7 C11 gb_26 C11 C12 gb_15 C11 C16 gb_15 C12 C13 gb_15 C16 C15 gb_15 C13 O13 gb_12 C13 C14 gb_15 O13 CM13 gb_1 C15 O15 gb_12 C15 C14 gb_15 O15 CM15 gb_1 C14 O14 gb_12 O14 CM14 gb_1 [ 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_24 HA1 N1 C6 ga_24 C2 N1 C6 ga_26 N1 C2 NA2 ga_26 N1 C2 N3 ga_26 NA2 C2 N3 ga_26 C2 NA2 HA21 ga_22 C2 NA2 HA22 ga_22 HA21 NA2 HA22 ga_23 C2 N3 C4 ga_26 N3 C4 NA4 ga_26 N3 C4 C5 ga_26 NA4 C4 C5 ga_26 C4 NA4 HA41 ga_22 C4 NA4 HA42 ga_22 HA41 NA4 HA42 ga_23 C4 C5 C6 ga_26 C4 C5 C7 ga_26 C6 C5 C7 ga_26 N1 C6 C5 ga_26 C5 C7 C11 ga_14 C7 C11 C12 ga_26 C7 C11 C16 ga_26 C12 C11 C16 ga_26 C11 C12 C13 ga_26 C11 C16 C15 ga_26 C12 C13 O13 ga_26 C12 C13 C14 ga_26 O13 C13 C14 ga_26 C13 O13 CM13 ga_19 C16 C15 O15 ga_26 C16 C15 C14 ga_26 O15 C15 C14 ga_26 C15 O15 CM15 ga_19 C13 C14 C15 ga_26 C13 C14 O14 ga_26 C15 C14 O14 ga_26 C14 O14 CM14 ga_19 [ impropers ] ; ai aj ak al gromos type N1 C2 C6 HA1 gi_1 C2 N1 N3 NA2 gi_1 NA2 HA21 HA22 C2 gi_1 C4 N3 C5 NA4 gi_1 NA4 HA41 HA42 C4 gi_1 N1 C2 N3 C4 gi_1 C2 N3 C4 C5 gi_1 N3 C4 C5 C6 gi_1 C4 C5 C6 N1 gi_1 C5 C6 N1 C2 gi_1 C6 N1 C2 N3 gi_1 C5 C4 C6 C7 gi_1 C11 C12 C16 C7 gi_1 C11 C12 C13 C14 gi_1 C11 C16 C15 C14 gi_1 C12 C13 C14 C15 gi_1 C12 C11 C16 C15 gi_1 C16 C15 C14 C13 gi_1 C16 C11 C12 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_4 C5 C4 NA4 HA41 gd_4 C4 C5 C7 C11 gd_20 C5 C7 C11 C12 gd_20 C12 C13 O13 CM13 gd_2 C12 C13 O13 CM13 gd_3 C16 C15 O15 CM15 gd_2 C16 C15 O15 CM15 gd_3 C13 C14 O14 CM14 gd_2 [ 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_23 P O2P gb_23 P O3P gb_27 P O4P gb_27 O3P H3P gb_1 O4P C1 gb_17 C1 C2 gb_26 C2 O2 gb_17 C2 C3 gb_26 O2 H2 gb_1 C3 OT1 gb_5 C3 OT2 gb_5 [ exclusions ] ; ai aj O1P H3P O2P H3P H3P O4P [ angles ] ; ai aj ak gromos type O1P P O2P ga_28 O1P P O3P ga_13 O1P P O4P ga_13 O2P P O3P ga_13 O2P P O4P ga_13 O3P P O4P ga_4 P O3P H3P ga_11 P O4P C1 ga_25 O4P C1 C2 ga_14 C1 C2 O2 ga_14 C1 C2 C3 ga_12 O2 C2 C3 ga_12 C2 O2 H2 ga_11 C2 C3 OT1 ga_21 C2 C3 OT2 ga_21 OT1 C3 OT2 ga_37 [ 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_11 O4P P O3P H3P gd_9 O3P P O4P C1 gd_11 O3P P O4P C1 gd_9 P O4P C1 C2 gd_14 O4P C1 C2 C3 gd_17 C1 C2 O2 H2 gd_12 C1 C2 C3 OT1 gd_20 [ 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_9 AN9 AC8 gb_9 AN9 AC1* gb_21 AC4 AN3 gb_11 AC4 AC5 gb_15 AN3 AC2 gb_6 AC2 AN1 gb_6 AN1 AC6 gb_11 AC6 AN6 gb_8 AC6 AC5 gb_15 AN6 AH61 gb_2 AN6 AH62 gb_2 AC5 AN7 gb_9 AN7 AC8 gb_9 AC1* AO4* gb_19 AC1* AC2* gb_25 AO4* AC4* gb_19 AC4* AC3* gb_25 AC4* AC5* gb_25 AC2* AO2* gb_19 AC2* AC3* gb_25 AO2* AH2* gb_1 AC3* AO3* gb_19 AO3* AH3* gb_1 AC5* AO5* gb_19 AO5* APA gb_27 APA AO1PA gb_23 APA AO2PA gb_23 APA AO3PA gb_27 AO3PA APB gb_27 APB AO1PB gb_23 APB AO2PB gb_23 APB AO3PB gb_27 AO3PB APG gb_27 APG AO1PG gb_23 APG AO2PG gb_23 APG AO3PG gb_27 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_6 AC4 AN9 AC1* ga_36 AC8 AN9 AC1* ga_36 AN9 AC4 AN3 ga_38 AN9 AC4 AC5 ga_6 AN3 AC4 AC5 ga_26 AC4 AN3 AC2 ga_26 AN3 AC2 AN1 ga_26 AC2 AN1 AC6 ga_26 AN1 AC6 AN6 ga_26 AN1 AC6 AC5 ga_26 AN6 AC6 AC5 ga_26 AC6 AN6 AH61 ga_22 AC6 AN6 AH62 ga_22 AH61 AN6 AH62 ga_23 AC4 AC5 AC6 ga_26 AC4 AC5 AN7 ga_6 AC6 AC5 AN7 ga_38 AC5 AN7 AC8 ga_6 AN9 AC8 AN7 ga_6 AN9 AC1* AO4* ga_8 AN9 AC1* AC2* ga_8 AO4* AC1* AC2* ga_8 AC1* AO4* AC4* ga_9 AO4* AC4* AC3* ga_8 AO4* AC4* AC5* ga_8 AC3* AC4* AC5* ga_7 AC1* AC2* AO2* ga_8 AC1* AC2* AC3* ga_7 AO2* AC2* AC3* ga_8 AC2* AO2* AH2* ga_11 AC4* AC3* AC2* ga_7 AC4* AC3* AO3* ga_8 AC2* AC3* AO3* ga_8 AC3* AO3* AH3* ga_11 AC4* AC5* AO5* ga_8 AC5* AO5* APA ga_25 AO5* APA AO1PA ga_13 AO5* APA AO2PA ga_13 AO5* APA AO3PA ga_4 AO1PA APA AO2PA ga_28 AO1PA APA AO3PA ga_13 AO2PA APA AO3PA ga_13 APA AO3PA APB ga_25 AO3PA APB AO1PB ga_13 AO3PA APB AO2PB ga_13 AO3PA APB AO3PB ga_4 AO1PB APB AO2PB ga_28 AO1PB APB AO3PB ga_13 AO2PB APB AO3PB ga_13 APB AO3PB APG ga_25 AO3PB APG AO1PG ga_13 AO3PB APG AO2PG ga_13 AO3PB APG AO3PG ga_4 AO1PG APG AO2PG ga_28 AO1PG APG AO3PG ga_13 AO2PG APG AO3PG ga_13 APG AO3PG AH3PG ga_11 [ impropers ] ; ai aj ak al gromos type AN9 AC8 AC4 AC1* gi_1 AC4 AN9 AC8 AN7 gi_1 AC8 AN9 AC4 AC5 gi_1 AN9 AC8 AN7 AC5 gi_1 AN9 AC4 AC5 AN7 gi_1 AC8 AN7 AC5 AC4 gi_1 AC4 AN9 AN3 AC5 gi_1 AC5 AC6 AN7 AC4 gi_1 AN3 AC4 AC5 AC6 gi_1 AC4 AC5 AC6 AN1 gi_1 AC5 AC4 AN3 AC2 gi_1 AC5 AC6 AN1 AC2 gi_1 AC4 AN3 AC2 AN1 gi_1 AN3 AC2 AN1 AC6 gi_1 AC6 AC5 AN1 AN6 gi_1 AN6 AH61 AH62 AC6 gi_1 AC1* AN9 AO4* AC2* gi_2 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 AC5 AC6 AN6 AH61 gd_4 AO4* AC1* AN9 AC4 gd_6 AC1* AC2* AO2* AH2* gd_12 AC4* AC3* AO3* AH3* gd_12 AC4* AO4* AC1* AC2* gd_14 AC3* AC4* AO4* AC1* gd_14 AC3* AC2* AC1* AO4* gd_17 AC3* AC2* AC1* AO4* gd_7 AO2* AC2* AC1* AN9 gd_7 AO2* AC2* AC1* AO4* gd_8 AC4* AC3* AC2* AC1* gd_17 AO3* AC3* AC2* AC1* gd_7 AC4* AC3* AC2* AO2* gd_7 AO3* AC3* AC2* AO2* gd_8 AC5* AC4* AC3* AC2* gd_17 AC5* AC4* AC3* AO3* gd_7 AO4* AC4* AC3* AC2* gd_7 AO4* AC4* AC3* AO3* gd_8 AO5* AC5* AC4* AC3* gd_17 AO5* AC5* AC4* AC3* gd_7 AO5* AC5* AC4* AO4* gd_8 AC4* AC5* AO5* APA gd_14 AC5* AO5* APA AO3PA gd_11 AC5* AO5* APA AO3PA gd_9 AO5* APA AO3PA APB gd_11 AO5* APA AO3PA APB gd_9 APA AO3PA APB AO3PB gd_11 APA AO3PA APB AO3PB gd_9 AO3PA APB AO3PB APG gd_11 AO3PA APB AO3PB APG gd_9 APB AO3PB APG AO3PG gd_11 APB AO3PB APG AO3PG gd_9 AO3PB APG AO3PG AH3PG gd_11 AO3PB APG AO3PG AH3PG gd_9 [ 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 C 0.00000 2 PO OM -0.60000 2 PHC1 HC -0.20000 2 PHC2 HC -0.20000 2 [ bonds ] PC8 PC5 gb_26 PC5 PC4 gb_15 PC5 PC6 gb_15 PC4 PC3 gb_15 PC6 PC7 gb_15 PC3 PC2 gb_15 PC7 PC2 gb_15 PC2 PC1 gb_26 PC1 PO gb_18 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_26 PC8 PC5 PC6 ga_26 PC4 PC5 PC6 ga_26 PC5 PC4 PC3 ga_26 PC5 PC6 PC7 ga_26 PC4 PC3 PC2 ga_26 PC6 PC7 PC2 ga_26 PC3 PC2 PC7 ga_26 PC3 PC2 PC1 ga_26 PC7 PC2 PC1 ga_26 PC2 PC1 PO ga_12 PC2 PC1 PHC1 ga_10 PC2 PC1 PHC2 ga_10 PO PC1 PHC1 ga_10 PO PC1 PHC2 ga_10 PHC1 PC1 PHC2 ga_9 [ impropers ] ; ai aj ak al gromos type PC5 PC4 PC6 PC8 gi_1 PC6 PC5 PC4 PC3 gi_1 PC4 PC5 PC6 PC7 gi_1 PC5 PC4 PC3 PC2 gi_1 PC5 PC6 PC7 PC2 gi_1 PC4 PC3 PC2 PC7 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_20 [ 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 C -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_26 PC5 PC4 gb_15 PC5 PC6 gb_15 PC4 PC3 gb_15 PC6 PC7 gb_15 PC3 PC2 gb_15 PC7 PC2 gb_15 PC2 PC1 gb_26 PC1 PO gb_12 PO PH gb_1 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_26 PC8 PC5 PC6 ga_26 PC4 PC5 PC6 ga_26 PC5 PC4 PC3 ga_26 PC5 PC6 PC7 ga_26 PC4 PC3 PC2 ga_26 PC6 PC7 PC2 ga_26 PC3 PC2 PC7 ga_26 PC3 PC2 PC1 ga_26 PC7 PC2 PC1 ga_26 PC2 PC1 PO ga_12 PC1 PO PH ga_11 PC2 PC1 PHC1 ga_10 PC2 PC1 PHC2 ga_10 PO PC1 PHC1 ga_10 PO PC1 PHC2 ga_10 PHC1 PC1 PHC2 ga_9 [ impropers ] ; ai aj ak al gromos type PC5 PC4 PC6 PC8 gi_1 PC6 PC5 PC4 PC3 gi_1 PC4 PC5 PC6 PC7 gi_1 PC5 PC4 PC3 PC2 gi_1 PC5 PC6 PC7 PC2 gi_1 PC4 PC3 PC2 PC7 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_20 PC2 PC1 PO PH gd_12 [ 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_15 C3 C4 gb_15 C2 H2 gb_3 C2 C1 gb_15 C4 H4 gb_3 C4 C5 gb_15 C1 H1 gb_3 C1 C6 gb_15 C5 H5 gb_3 C5 C6 gb_15 C6 C7 gb_22 C7 O8 gb_4 C7 O9 gb_12 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_24 H3 C3 C4 ga_24 C2 C3 C4 ga_26 C3 C2 H2 ga_24 C3 C2 C1 ga_26 H2 C2 C1 ga_24 C3 C4 H4 ga_24 C3 C4 C5 ga_26 H4 C4 C5 ga_24 C2 C1 H1 ga_24 C2 C1 C6 ga_26 H1 C1 C6 ga_24 C4 C5 H5 ga_24 C4 C5 C6 ga_26 H5 C5 C6 ga_24 C1 C6 C5 ga_26 C1 C6 C7 ga_26 C5 C6 C7 ga_26 C6 C7 O8 ga_29 C6 C7 O9 ga_18 O8 C7 O9 ga_32 C7 O9 H9 ga_11 [ impropers ] ; ai aj ak al gromos type C3 C2 C4 H3 gi_1 C2 C1 C3 H2 gi_1 C4 C5 C3 H4 gi_1 C1 C2 C6 H1 gi_1 C5 C4 C6 H5 gi_1 C3 C2 C1 C6 gi_1 C3 C4 C5 C6 gi_1 C2 C3 C4 C5 gi_1 C4 C3 C2 C1 gi_1 C2 C1 C6 C5 gi_1 C4 C5 C6 C1 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_1 C6 C7 O9 H9 gd_3 [ RTOL ] [ atoms ] C18 CH3 0.00000 0 C17 CH3 0.00000 0 C1 C 0.00000 0 C2 CH2 0.00000 1 C3 CH2 0.00000 1 C4 CH2 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_26 C17 C1 gb_26 C1 C2 gb_26 C1 C6 gb_26 C2 C3 gb_26 C3 C4 gb_26 C4 C5 gb_26 C5 C16 gb_26 C5 C6 gb_9 C6 C7 gb_22 C7 C8 gb_12 C8 C9 gb_22 C9 C19 gb_26 C9 C10 gb_12 C10 C11 gb_22 C11 C12 gb_12 C12 C13 gb_22 C13 C20 gb_26 C13 C14 gb_12 C14 C15 gb_22 C15 O21 gb_17 O21 H21 gb_1 [ angles ] ; ai aj ak gromos type C18 C1 C17 ga_12 C18 C1 C2 ga_12 C18 C1 C6 ga_12 C17 C1 C2 ga_12 C17 C1 C6 ga_12 C2 C1 C6 ga_12 C1 C2 C3 ga_12 C2 C3 C4 ga_12 C3 C4 C5 ga_12 C4 C5 C16 ga_26 C4 C5 C6 ga_26 C16 C5 C6 ga_26 C1 C6 C5 ga_26 C1 C6 C7 ga_26 C5 C6 C7 ga_26 C6 C7 C8 ga_26 C7 C8 C9 ga_26 C8 C9 C19 ga_26 C8 C9 C10 ga_26 C19 C9 C10 ga_26 C9 C10 C11 ga_26 C10 C11 C12 ga_26 C11 C12 C13 ga_26 C12 C13 C20 ga_26 C12 C13 C14 ga_26 C20 C13 C14 ga_26 C13 C14 C15 ga_26 C14 C15 O21 ga_12 C15 O21 H21 ga_11 [ 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 C1 C2 C3 C4 gd_17 C6 C1 C2 C3 gd_17 C2 C3 C4 C5 gd_17 C2 C1 C6 C5 gd_17 C3 C4 C5 C6 gd_17 C4 C5 C6 C1 gd_4 C5 C6 C7 C8 gd_17 C6 C7 C8 C9 gd_4 C7 C8 C9 C10 gd_3 C8 C9 C10 C11 gd_4 C9 C10 C11 C12 gd_3 C10 C11 C12 C13 gd_4 C11 C12 C13 C14 gd_3 C12 C13 C14 C15 gd_4 C13 C14 C15 O21 gd_20 C14 C15 O21 H21 gd_12 [ TEMP ] [ atoms ] O1 O -0.20000 0 N1 NR -0.03600 0 C1 C 0.11800 0 C4 C 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_5 N1 C1 gb_21 N1 C4 gb_21 C1 CA gb_24 C1 C6 gb_25 C1 C7 gb_25 C4 C3 gb_24 C4 C8 gb_25 C4 C9 gb_25 CA C3 gb_6 CA C5 gb_22 C5 O5 gb_4 C5 +N gb_9 [ 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_30 O1 N1 C4 ga_30 C1 N1 C4 ga_18 N1 C1 CA ga_2 N1 C1 C6 ga_12 N1 C1 C7 ga_12 CA C1 C6 ga_15 CA C1 C7 ga_15 C6 C1 C7 ga_14 C1 CA C3 ga_15 C1 CA C5 ga_30 C3 CA C5 ga_34 CA C3 C4 ga_15 N1 C4 C3 ga_2 N1 C4 C8 ga_12 N1 C4 C9 ga_12 C3 C4 C8 ga_15 C3 C4 C9 ga_15 C8 C4 C9 ga_14 CA C5 O5 ga_29 CA C5 +N ga_18 O5 C5 +N ga_32 [ impropers ] ; ai aj ak al gromos type N1 C1 C4 O1 gi_1 N1 C1 CA C3 gi_1 C1 CA C3 C4 gi_1 CA C3 C4 N1 gi_1 C3 C4 N1 C1 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_4 [ ETH ] [ atoms ] EO OM -0.60000 0 EC1 CH2 -0.40000 0 EC2 CH3 0.00000 0 [ bonds ] EO EC1 gb_18 EC1 EC2 gb_26 [ angles ] ; ai aj ak gromos type EO EC1 EC2 ga_12 [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ ETHH ] [ atoms ] EH H 0.39800 0 EO OA -0.54800 0 EC1 CH2 0.15000 0 EC2 CH3 0.00000 1 [ bonds ] EH EO gb_1 EO EC1 gb_17 EC1 EC2 gb_26 [ angles ] ; ai aj ak gromos type EH EO EC1 ga_11 EO EC1 EC2 ga_14 [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type EH EO EC1 EC2 gd_12 [ 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 0.540 0 O1 OM -0.635 0 O2 OM -0.635 0 O3 OM -0.635 0 O4 OM -0.635 0 [ bonds ] S O1 gb_24 S O2 gb_24 S O3 gb_24 S O4 gb_24 [ angles ] ; ai aj ak gromos type O1 S O2 ga_12 O1 S O3 ga_12 O1 S O4 ga_12 O2 S O3 ga_12 O2 S O4 ga_12 O3 S O4 ga_12 [ 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_35 OW HW2 gb_35 HW1 HW2 gb_41 [ 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_35 OW HW2 gb_35 HW1 HW2 gb_41 [ 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_35 OW HW2 gb_35 HW1 HW2 gb_41 [ 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_37 CChl CLCh2 gb_37 CChl CLCh3 gb_37 HChl CLCh1 gb_42 HChl CLCh2 gb_42 HChl CLCh3 gb_42 CLCh1 CLCh2 gb_43 CLCh1 CLCh3 gb_43 CLCh2 CLCh3 gb_43 [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ DMSO ] [ atoms ] SDmso SDMSO 0.13900 0 ODmso ODMSO -0.45900 0 CDms1 CDMSO 0.16000 0 CDms2 CDMSO 0.16000 0 [ bonds ] SDmso ODmso gb_38 SDmso CDms1 gb_39 SDmso CDms2 gb_39 ODmso CDms1 gb_44 ODmso CDms2 gb_44 CDms1 CDms2 gb_45 [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ CH3OH ] [ atoms ] Omet OMET -0.57400 0 HMet H 0.39800 0 CMet CMET 0.17600 0 [ bonds ] Omet HMet gb_1 Omet CMet gb_17 HMet CMet gb_46 [ 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_40 CCl4 CLCl2 gb_40 CCl4 CLCl3 gb_40 CCl4 CLCl4 gb_40 CLCl1 CLCl2 gb_47 CLCl1 CLCl3 gb_47 CLCl1 CLCl4 gb_47 CLCl2 CLCl3 gb_47 CLCl2 CLCl4 gb_47 [ angles ] ; ai aj ak gromos type [ impropers ] ; ai aj ak al gromos type [ dihedrals ] ; ai aj ak al gromos type [ D6PC ] ; ref. 2 [ atoms ] CN1 CH3 0.250 0 CN2 CH3 0.250 0 CN3 CH3 0.250 0 NTM NL 0.000 0 CA CH2 0.250 0 CB CH2 0.000 1 OA OA -0.360 2 P P 0.990 2 OB OM -0.635 2 OC OM -0.635 2 OD OA -0.360 2 CC CH2 0.000 3 CD CH1 0.160 4 OE OA -0.360 4 C2A C 0.580 4 OF O -0.380 4 C2B CH2 0.000 5 C2C CH2 0.000 6 C2D CH2 0.000 7 C2E CH2 0.000 8 C2F CH3 0.000 9 CE CH2 0.160 10 OG OA -0.360 10 C1A C 0.580 10 OH O -0.380 10 C1B CH2 0.000 11 C1C CH2 0.000 12 C1D CH2 0.000 13 C1E CH2 0.000 14 C1F CH3 0.000 15 [ bonds ] CN1 NTM gb_20 CN2 NTM gb_20 CN3 NTM gb_20 NTM CA gb_20 CA CB gb_26 CB OA gb_17 OA P gb_27 P OB gb_23 P OC gb_23 P OD gb_27 OD CC gb_17 CC CD gb_26 CD OE gb_17 OE C2A gb_9 C2A OF gb_4 C2A C2B gb_22 C2B C2C gb_26 C2C C2D gb_26 C2D C2E gb_26 C2E C2F gb_26 CD CE gb_26 CE OG gb_17 OG C1A gb_9 C1A OH gb_4 C1A C1B gb_22 C1B C1C gb_26 C1C C1D gb_26 C1D C1E gb_26 C1E C1F gb_26 [ angles ] ; ai aj ak gromos type CN1 NTM CN2 ga_12 CN1 NTM CN3 ga_12 CN1 NTM CA ga_12 CN2 NTM CN3 ga_12 CN2 NTM CA ga_12 CN3 NTM CA ga_12 NTM CA CB ga_14 CA CB OA ga_14 CB OA P ga_25 OA P OB ga_13 OA P OC ga_13 OA P OD ga_4 OB P OC ga_28 OB P OD ga_13 OC P OD ga_13 CC OD P ga_25 CD CC OD ga_14 CC CD OE ga_12 CD OE C2A ga_21 OF C2A OE ga_30 OF C2A C2B ga_34 OE C2A C2B ga_15 C2A C2B C2C ga_14 C2B C2C C2D ga_14 C2C C2D C2E ga_14 C2D C2E C2F ga_14 CC CD CE ga_12 CE CD OE ga_12 CD CE OG ga_14 CE OG C1A ga_21 OG C1A OH ga_30 OH C1A C1B ga_34 OG C1A C1B ga_15 C1A C1B C1C ga_14 C1B C1C C1D ga_14 C1C C1D C1E ga_14 C1D C1E C1F ga_14 [ impropers ] ; ai aj ak al gromos type CD CE CC OE gi_2 C2A OE C2B OF gi_1 C1A OG C1B OH gi_1 [ dihedrals ] ; ai aj ak al gromos type CN1 NTM CA CB gd_14 NTM CA CB OA gd_17 CA CB OA P gd_14 CB OA P OD gd_11 CB OA P OD gd_9 OA P OD CC gd_11 OA P OD CC gd_9 P OD CC CD gd_14 OD CC CD CE gd_17 CC CD OE C2A gd_14 CC CD CE OG gd_17 CD CE OG C1A gd_14 CD OE C2A OF gd_14 OE C2A C2B C2C gd_20 C2A C2B C2C C2D gd_17 C2B C2C C2D C2E gd_17 C2C C2D C2E C2F gd_17 CE OG C1A OH gd_14 OG C1A C1B C1C gd_20 C1A C1B C1C C1D gd_17 C1B C1C C1D C1E gd_17 C1C C1D C1E C1F gd_17