BMRB

NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
583481 2mkm RC 19784 cing 1-original 2 AMBER planarity 

#PLANAR RESTRAINTS FOR RESIDUE 1
#ANGLE N2 - C2 - N1 - C6 -> 180
    &rst iat=21, 20, 18, 16,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C2 - N1 - C6 - C5 -> 0
    &rst iat=20, 18, 16, 15,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N1 - C6 - C5 - C4 -> 0
    &rst iat=18, 16, 15, 25,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C6 - C5 - C4 - N3 -> 0
    &rst iat=16, 15, 25, 24,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C5 - C4 - N3 - C2 -> 0
    &rst iat=15, 25, 24, 20,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - N3 - C2 - N1 -> 0
    &rst iat=25, 24, 20, 18,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N3 - C2 - N1 - C6 -> 0
    &rst iat=24, 20, 18, 16,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - N3 - C2 - N2 -> 180
    &rst iat=25, 24, 20, 21,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C6 - C5 - C4 - N7 -> 180
    &rst iat=16, 15, 25, 14,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C5 - N7 - C8 - N9 -> 0
    &rst iat=15, 14, 12, 11,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N7 - C8 - N9 - C4 -> 0
    &rst iat=14, 12, 11, 25,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C8 - N9 - C4 - C5 -> 0
    &rst iat=12, 11, 25, 15,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N9 - C4 - C5 - N7 -> 0
    &rst iat=11, 25, 15, 14,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - C5 - N7 - C8 -> 0
    &rst iat=25, 15, 14, 12,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N3 - C4 - C5 - N9 -> 180
    &rst iat=24, 25, 15, 11,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N2 - C2 - N3 - N1 -> 180
    &rst iat=21, 20, 24, 18,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N1 - C6 - C5 - O6 -> 180
    &rst iat=18, 16, 15, 17,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE 1H - N1 - C6 - C2 -> 180
    &rst iat=19, 18, 16, 20,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#PLANAR RESTRAINTS FOR RESIDUE 2
#ANGLE N2 - C2 - N1 - C6 -> 180
    &rst iat=54, 53, 51, 49,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C2 - N1 - C6 - C5 -> 0
    &rst iat=53, 51, 49, 48,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N1 - C6 - C5 - C4 -> 0
    &rst iat=51, 49, 48, 58,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C6 - C5 - C4 - N3 -> 0
    &rst iat=49, 48, 58, 57,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C5 - C4 - N3 - C2 -> 0
    &rst iat=48, 58, 57, 53,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - N3 - C2 - N1 -> 0
    &rst iat=58, 57, 53, 51,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N3 - C2 - N1 - C6 -> 0
    &rst iat=57, 53, 51, 49,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - N3 - C2 - N2 -> 180
    &rst iat=58, 57, 53, 54,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C6 - C5 - C4 - N7 -> 180
    &rst iat=49, 48, 58, 47,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C5 - N7 - C8 - N9 -> 0
    &rst iat=48, 47, 45, 44,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N7 - C8 - N9 - C4 -> 0
    &rst iat=47, 45, 44, 58,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C8 - N9 - C4 - C5 -> 0
    &rst iat=45, 44, 58, 48,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N9 - C4 - C5 - N7 -> 0
    &rst iat=44, 58, 48, 47,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - C5 - N7 - C8 -> 0
    &rst iat=58, 48, 47, 45,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N3 - C4 - C5 - N9 -> 180
    &rst iat=57, 58, 48, 44,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N2 - C2 - N3 - N1 -> 180
    &rst iat=54, 53, 57, 51,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N1 - C6 - C5 - O6 -> 180
    &rst iat=51, 49, 48, 50,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE 1H - N1 - C6 - C2 -> 180
    &rst iat=52, 51, 49, 53,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#PLANAR RESTRAINTS FOR RESIDUE 5
#ANGLE N2 - C2 - N1 - C6 -> 180
    &rst iat=151, 150, 148, 146,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C2 - N1 - C6 - C5 -> 0
    &rst iat=150, 148, 146, 145,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N1 - C6 - C5 - C4 -> 0
    &rst iat=148, 146, 145, 155,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C6 - C5 - C4 - N3 -> 0
    &rst iat=146, 145, 155, 154,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C5 - C4 - N3 - C2 -> 0
    &rst iat=145, 155, 154, 150,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - N3 - C2 - N1 -> 0
    &rst iat=155, 154, 150, 148,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N3 - C2 - N1 - C6 -> 0
    &rst iat=154, 150, 148, 146,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - N3 - C2 - N2 -> 180
    &rst iat=155, 154, 150, 151,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C6 - C5 - C4 - N7 -> 180
    &rst iat=146, 145, 155, 144,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C5 - N7 - C8 - N9 -> 0
    &rst iat=145, 144, 142, 141,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N7 - C8 - N9 - C4 -> 0
    &rst iat=144, 142, 141, 155,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C8 - N9 - C4 - C5 -> 0
    &rst iat=142, 141, 155, 145,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N9 - C4 - C5 - N7 -> 0
    &rst iat=141, 155, 145, 144,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - C5 - N7 - C8 -> 0
    &rst iat=155, 145, 144, 142,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N3 - C4 - C5 - N9 -> 180
    &rst iat=154, 155, 145, 141,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N2 - C2 - N3 - N1 -> 180
    &rst iat=151, 150, 154, 148,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N1 - C6 - C5 - O6 -> 180
    &rst iat=148, 146, 145, 147,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE 1H - N1 - C6 - C2 -> 180
    &rst iat=149, 148, 146, 150,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#PLANAR RESTRAINTS FOR RESIDUE 6
#ANGLE N2 - C2 - N1 - C6 -> 180
    &rst iat=184, 183, 181, 179,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C2 - N1 - C6 - C5 -> 0
    &rst iat=183, 181, 179, 178,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N1 - C6 - C5 - C4 -> 0
    &rst iat=181, 179, 178, 188,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C6 - C5 - C4 - N3 -> 0
    &rst iat=179, 178, 188, 187,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C5 - C4 - N3 - C2 -> 0
    &rst iat=178, 188, 187, 183,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - N3 - C2 - N1 -> 0
    &rst iat=188, 187, 183, 181,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N3 - C2 - N1 - C6 -> 0
    &rst iat=187, 183, 181, 179,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - N3 - C2 - N2 -> 180
    &rst iat=188, 187, 183, 184,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C6 - C5 - C4 - N7 -> 180
    &rst iat=179, 178, 188, 177,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C5 - N7 - C8 - N9 -> 0
    &rst iat=178, 177, 175, 174,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N7 - C8 - N9 - C4 -> 0
    &rst iat=177, 175, 174, 188,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C8 - N9 - C4 - C5 -> 0
    &rst iat=175, 174, 188, 178,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N9 - C4 - C5 - N7 -> 0
    &rst iat=174, 188, 178, 177,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - C5 - N7 - C8 -> 0
    &rst iat=188, 178, 177, 175,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N3 - C4 - C5 - N9 -> 180
    &rst iat=187, 188, 178, 174,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N2 - C2 - N3 - N1 -> 180
    &rst iat=184, 183, 187, 181,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N1 - C6 - C5 - O6 -> 180
    &rst iat=181, 179, 178, 180,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE 1H - N1 - C6 - C2 -> 180
    &rst iat=182, 181, 179, 183,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#PLANAR RESTRAINTS FOR RESIDUE 10
#ANGLE N2 - C2 - N1 - C6 -> 180
    &rst iat=314, 313, 311, 309,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C2 - N1 - C6 - C5 -> 0
    &rst iat=313, 311, 309, 308,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N1 - C6 - C5 - C4 -> 0
    &rst iat=311, 309, 308, 318,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C6 - C5 - C4 - N3 -> 0
    &rst iat=309, 308, 318, 317,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C5 - C4 - N3 - C2 -> 0
    &rst iat=308, 318, 317, 313,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - N3 - C2 - N1 -> 0
    &rst iat=318, 317, 313, 311,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N3 - C2 - N1 - C6 -> 0
    &rst iat=317, 313, 311, 309,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - N3 - C2 - N2 -> 180
    &rst iat=318, 317, 313, 314,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C6 - C5 - C4 - N7 -> 180
    &rst iat=309, 308, 318, 307,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C5 - N7 - C8 - N9 -> 0
    &rst iat=308, 307, 305, 304,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N7 - C8 - N9 - C4 -> 0
    &rst iat=307, 305, 304, 318,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C8 - N9 - C4 - C5 -> 0
    &rst iat=305, 304, 318, 308,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N9 - C4 - C5 - N7 -> 0
    &rst iat=304, 318, 308, 307,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - C5 - N7 - C8 -> 0
    &rst iat=318, 308, 307, 305,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N3 - C4 - C5 - N9 -> 180
    &rst iat=317, 318, 308, 304,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N2 - C2 - N3 - N1 -> 180
    &rst iat=314, 313, 317, 311,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N1 - C6 - C5 - O6 -> 180
    &rst iat=311, 309, 308, 310,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE 1H - N1 - C6 - C2 -> 180
    &rst iat=312, 311, 309, 313,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#PLANAR RESTRAINTS FOR RESIDUE 11
#ANGLE N2 - C2 - N1 - C6 -> 180
    &rst iat=347, 346, 344, 342,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C2 - N1 - C6 - C5 -> 0
    &rst iat=346, 344, 342, 341,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N1 - C6 - C5 - C4 -> 0
    &rst iat=344, 342, 341, 351,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C6 - C5 - C4 - N3 -> 0
    &rst iat=342, 341, 351, 350,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C5 - C4 - N3 - C2 -> 0
    &rst iat=341, 351, 350, 346,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - N3 - C2 - N1 -> 0
    &rst iat=351, 350, 346, 344,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N3 - C2 - N1 - C6 -> 0
    &rst iat=350, 346, 344, 342,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - N3 - C2 - N2 -> 180
    &rst iat=351, 350, 346, 347,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C6 - C5 - C4 - N7 -> 180
    &rst iat=342, 341, 351, 340,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C5 - N7 - C8 - N9 -> 0
    &rst iat=341, 340, 338, 337,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N7 - C8 - N9 - C4 -> 0
    &rst iat=340, 338, 337, 351,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C8 - N9 - C4 - C5 -> 0
    &rst iat=338, 337, 351, 341,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N9 - C4 - C5 - N7 -> 0
    &rst iat=337, 351, 341, 340,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE C4 - C5 - N7 - C8 -> 0
    &rst iat=351, 341, 340, 338,
   r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N3 - C4 - C5 - N9 -> 180
    &rst iat=350, 351, 341, 337,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N2 - C2 - N3 - N1 -> 180
    &rst iat=347, 346, 350, 344,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE N1 - C6 - C5 - O6 -> 180
    &rst iat=344, 342, 341, 343,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end
   
#ANGLE 1H - N1 - C6 - C2 -> 180
    &rst iat=345, 344, 342, 346,
   r1=170.0, r2=180.0, r3=180.0, r4=190.0, rk2 = 1000.0, rk3=1000.0,  &end

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