NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
583481 | 2mkm | 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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