5NX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAC | CAZ | doub | 1.22Å | 1.23Å | |
CAK | CAI | doub | 1.38Å | 1.39Å | Aromatic |
CAK | CAV | sing | 1.38Å | 1.39Å | Aromatic |
CAI | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
CAZ | CBA | sing | 1.48Å | 1.39Å | |
CAZ | CAW | sing | 1.47Å | 1.39Å | |
OAD | CBA | doub | 1.22Å | 1.23Å | |
CAO | CAV | sing | 1.51Å | 1.41Å | |
CAO | N7 | sing | 1.47Å | 1.52Å | |
CBA | CAX | sing | 1.47Å | 1.39Å | |
CAV | CAL | doub | 1.38Å | 1.39Å | Aromatic |
CAJ | CAU | doub | 1.38Å | 1.39Å | Aromatic |
CAW | OAE | sing | 1.35Å | 1.36Å | |
CAW | CAX | doub | 1.40Å | 1.39Å | |
O6 | C6 | doub | 1.22Å | 1.23Å | |
CAX | NAQ | sing | 1.37Å | 1.33Å | |
N7 | C8 | doub | 1.30Å | 1.34Å | Aromatic |
N7 | C5 | sing | 1.36Å | 1.34Å | Aromatic |
CAL | CAU | sing | 1.38Å | 1.39Å | Aromatic |
CAU | CL | sing | 1.74Å | 1.73Å | |
C6 | C5 | sing | 1.41Å | 1.34Å | |
C6 | N1 | sing | 1.35Å | 1.41Å | |
C8 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
NAQ | CAN | sing | 1.47Å | 1.48Å | |
C5 | C4 | doub | 1.40Å | 1.35Å | Aromatic |
N1 | C2 | sing | 1.36Å | 1.40Å | |
N9 | C4 | sing | 1.37Å | 1.35Å | Aromatic |
N9 | CBG | sing | 1.46Å | 1.49Å | |
C4 | N3 | sing | 1.34Å | 1.35Å | |
CAN | CBF | sing | 1.53Å | 1.57Å | |
OAS | CBG | sing | 1.44Å | 1.45Å | |
OAS | CBF | sing | 1.44Å | 1.46Å | |
C2 | N3 | doub | 1.31Å | 1.35Å | |
C2 | N2 | sing | 1.37Å | 1.33Å | |
CBG | CBE | sing | 1.55Å | 1.52Å | |
CBF | CBD | sing | 1.54Å | 1.51Å | |
CBD | CBE | sing | 1.55Å | 1.52Å | |
CBD | OAF | sing | 1.43Å | 1.43Å | |
CBE | OAG | sing | 1.43Å | 1.43Å | |
C8 | H1 | sing | 1.08Å | 1.08Å | |
N1 | H2 | sing | 0.97Å | 1.00Å | |
N2 | H3 | sing | 0.97Å | 1.00Å | |
N2 | H4 | sing | 0.97Å | 1.00Å | |
CAL | H5 | sing | 1.08Å | 1.08Å | |
CAJ | H6 | sing | 1.08Å | 1.08Å | |
CAI | H7 | sing | 1.08Å | 1.08Å | |
CAK | H8 | sing | 1.08Å | 1.08Å | |
CAO | H9 | sing | 1.09Å | 1.10Å | |
CAO | H10 | sing | 1.09Å | 1.10Å | |
CBG | H11 | sing | 1.09Å | 1.10Å | |
CBE | H12 | sing | 1.09Å | 1.10Å | |
OAG | H13 | sing | 0.97Å | 0.95Å | |
CBD | H14 | sing | 1.09Å | 1.10Å | |
OAF | H15 | sing | 0.97Å | 0.95Å | |
CBF | H16 | sing | 1.09Å | 1.10Å | |
CAN | H17 | sing | 1.09Å | 1.10Å | |
CAN | H18 | sing | 1.09Å | 1.10Å | |
NAQ | H19 | sing | 0.97Å | 1.00Å | |
OAE | H20 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAC | CAZ | CBA | 135.0° | 136.6° |
OAC | CAZ | CAW | 134.9° | 136.6° |
CAI | CAK | CAV | 121.1° | 120.0° |
CAK | CAI | CAJ | 118.7° | 120.0° |
CAK | CAI | H7 | 120.7° | 120.0° |
CAI | CAK | H8 | 119.5° | 120.0° |
CAK | CAV | CAO | 118.5° | 120.0° |
CAK | CAV | CAL | 119.8° | 120.0° |
CAV | CAK | H8 | 119.4° | 119.9° |
CAI | CAJ | CAU | 120.5° | 120.0° |
CAI | CAJ | H6 | 119.8° | 120.0° |
CAJ | CAI | H7 | 120.6° | 120.0° |
CBA | CAZ | CAW | 90.1° | 86.8° |
CAZ | CBA | OAD | 135.0° | 135.1° |
CAZ | CBA | CAX | 90.0° | 89.9° |
CAZ | CAW | OAE | 135.1° | 133.2° |
CAZ | CAW | CAX | 89.8° | 93.5° |
OAD | CBA | CAX | 135.0° | 135.0° |
CAV | CAO | N7 | 116.7° | 109.5° |
CAO | CAV | CAL | 121.7° | 120.0° |
CAV | CAO | H9 | 107.7° | 109.5° |
CAV | CAO | H10 | 107.6° | 109.5° |
CAO | N7 | C8 | 124.5° | 125.3° |
CAO | N7 | C5 | 128.1° | 125.3° |
N7 | CAO | H9 | 107.6° | 109.4° |
N7 | CAO | H10 | 107.6° | 109.5° |
CBA | CAX | CAW | 90.1° | 89.8° |
CBA | CAX | NAQ | 133.8° | 135.1° |
CAV | CAL | CAU | 119.4° | 120.0° |
CAV | CAL | H5 | 120.3° | 120.0° |
CAJ | CAU | CAL | 120.4° | 120.0° |
CAJ | CAU | CL | 119.8° | 120.0° |
CAU | CAJ | H6 | 119.7° | 120.0° |
OAE | CAW | CAX | 135.1° | 133.3° |
CAW | OAE | H20 | 109.5° | 114.0° |
CAW | CAX | NAQ | 136.1° | 135.1° |
O6 | C6 | C5 | 120.4° | 120.8° |
O6 | C6 | N1 | 119.0° | 120.9° |
CAX | NAQ | CAN | 125.6° | 120.0° |
CAX | NAQ | H19 | 105.3° | 120.0° |
C8 | N7 | C5 | 107.4° | 109.4° |
N7 | C8 | N9 | 110.0° | 109.8° |
N7 | C8 | H1 | 125.0° | 125.2° |
N7 | C5 | C6 | 132.4° | 134.1° |
N7 | C5 | C4 | 107.5° | 107.2° |
CAL | CAU | CL | 119.8° | 120.0° |
CAU | CAL | H5 | 120.3° | 120.0° |
C5 | C6 | N1 | 120.6° | 118.3° |
C6 | C5 | C4 | 120.1° | 118.6° |
C6 | N1 | C2 | 118.1° | 120.4° |
C6 | N1 | H2 | 120.9° | 119.8° |
C8 | N9 | C4 | 106.0° | 107.5° |
C8 | N9 | CBG | 125.5° | 126.2° |
N9 | C8 | H1 | 125.0° | 125.1° |
NAQ | CAN | CBF | 110.8° | 109.5° |
NAQ | CAN | H17 | 109.1° | 109.4° |
NAQ | CAN | H18 | 109.1° | 109.5° |
CAN | NAQ | H19 | 105.3° | 119.9° |
C5 | C4 | N9 | 109.1° | 106.2° |
C5 | C4 | N3 | 120.3° | 119.7° |
N1 | C2 | N3 | 118.2° | 121.9° |
N1 | C2 | N2 | 120.8° | 119.0° |
C2 | N1 | H2 | 121.0° | 119.9° |
C4 | N9 | CBG | 128.1° | 126.3° |
N9 | C4 | N3 | 130.6° | 134.1° |
N9 | CBG | OAS | 114.8° | 110.6° |
N9 | CBG | CBE | 107.3° | 110.6° |
N9 | CBG | H11 | 111.1° | 110.5° |
C4 | N3 | C2 | 122.4° | 121.1° |
CAN | CBF | OAS | 114.1° | 109.8° |
CAN | CBF | CBD | 113.2° | 109.9° |
CAN | CBF | H16 | 108.4° | 110.0° |
CBF | CAN | H17 | 109.1° | 109.5° |
CBF | CAN | H18 | 109.2° | 109.5° |
CBG | OAS | CBF | 112.9° | 107.0° |
OAS | CBG | CBE | 100.6° | 103.5° |
OAS | CBG | H11 | 111.7° | 110.7° |
OAS | CBF | CBD | 102.2° | 107.3° |
OAS | CBF | H16 | 109.8° | 109.9° |
N3 | C2 | N2 | 120.8° | 119.0° |
C2 | N2 | H3 | 120.0° | 120.0° |
C2 | N2 | H4 | 120.0° | 120.0° |
CBG | CBE | CBD | 102.3° | 102.1° |
CBG | CBE | OAG | 109.7° | 110.9° |
CBE | CBG | H11 | 110.7° | 110.6° |
CBG | CBE | H12 | 111.1° | 110.9° |
CBF | CBD | CBE | 100.7° | 104.2° |
CBF | CBD | OAF | 109.8° | 110.5° |
CBF | CBD | H14 | 111.6° | 110.6° |
CBD | CBF | H16 | 109.1° | 109.9° |
CBE | CBD | OAF | 109.7° | 110.5° |
CBD | CBE | OAG | 109.7° | 110.9° |
CBD | CBE | H12 | 111.1° | 110.9° |
CBE | CBD | H14 | 111.5° | 110.5° |
OAF | CBD | H14 | 112.9° | 110.4° |
CBD | OAF | H15 | 109.5° | 114.0° |
OAG | CBE | H12 | 112.5° | 110.8° |
CBE | OAG | H13 | 109.5° | 114.0° |
H3 | N2 | H4 | 120.0° | 120.0° |
H9 | CAO | H10 | 109.5° | 109.5° |
H17 | CAN | H18 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAC | CAZ | CBA | CAW | 179.6° | 179.9° |
OAC | CAZ | CBA | OAD | 0.4° | 0.1° |
OAC | CAZ | CBA | CAX | 179.5° | 179.9° |
OAC | CAZ | CAW | OAE | 0.4° | 0.1° |
OAC | CAZ | CAW | CAX | 179.5° | 179.9° |
CAI | CAK | CAV | H8 | 180.0° | 179.8° |
CAK | CAI | CAJ | H7 | 180.0° | 180.0° |
CAI | CAK | CAV | CAO | 180.0° | 180.0° |
CAI | CAK | CAV | CAL | 0.0° | 0.5° |
CAK | CAI | CAJ | CAU | 0.0° | 0.0° |
CAK | CAI | CAJ | H6 | 180.0° | 180.0° |
CAV | CAK | CAI | CAJ | 0.0° | 0.2° |
CAK | CAV | CAO | CAL | 180.0° | 179.5° |
CAK | CAV | CAO | N7 | 164.6° | 90.0° |
CAK | CAV | CAL | CAU | 0.0° | 0.5° |
CAK | CAV | CAL | H5 | 180.0° | 179.8° |
CAV | CAK | CAI | H7 | 180.0° | 179.8° |
CAK | CAV | CAO | H9 | 74.3° | 150.0° |
CAK | CAV | CAO | H10 | 43.6° | 30.0° |
CAI | CAJ | CAU | H6 | 180.0° | 180.0° |
CAI | CAJ | CAU | CAL | 0.1° | 0.0° |
CAI | CAJ | CAU | CL | 180.0° | 180.0° |
CAJ | CAI | CAK | H8 | 180.0° | 179.9° |
CAZ | CBA | OAD | CAX | 179.9° | 179.9° |
CBA | CAZ | CAW | OAE | 180.0° | 179.9° |
CBA | CAZ | CAW | CAX | 0.2° | 0.2° |
CAZ | CBA | CAX | NAQ | 179.0° | 180.0° |
CAW | CAZ | CBA | OAD | 180.0° | 179.7° |
CAZ | CAW | OAE | CAX | 179.8° | 179.7° |
CAZ | CAW | CAX | NAQ | 179.0° | 180.0° |
CAZ | CAW | OAE | H20 | 180.0° | 0.1° |
OAD | CBA | CAX | CAW | 180.0° | 179.7° |
OAD | CBA | CAX | NAQ | 1.1° | 0.0° |
CAV | CAO | N7 | H9 | 121.0° | 120.0° |
CAV | CAO | N7 | H10 | 121.0° | 120.0° |
CAV | CAO | N7 | C8 | 98.7° | 95.0° |
CAV | CAO | N7 | C5 | 84.2° | 84.9° |
CAO | CAV | CAL | CAU | 180.0° | 180.0° |
CAO | CAV | CAL | H5 | 0.0° | 0.2° |
CAO | CAV | CAK | H8 | 0.0° | 0.1° |
CAV | CAO | H9 | H10 | 116.7° | 120.0° |
N7 | CAO | CAV | CAL | 15.4° | 90.5° |
CAO | N7 | C8 | C5 | 177.6° | 179.9° |
CAO | N7 | C5 | C6 | 3.0° | 0.0° |
CAO | N7 | C8 | N9 | 177.1° | 179.8° |
CAO | N7 | C5 | C4 | 179.0° | 180.0° |
CAO | N7 | C8 | H1 | 2.9° | 0.2° |
N7 | CAO | H9 | H10 | 116.7° | 120.0° |
CBA | CAX | CAW | OAE | 180.0° | 179.9° |
CBA | CAX | CAW | NAQ | 178.8° | 179.7° |
CBA | CAX | NAQ | CAN | 132.4° | 0.0° |
CBA | CAX | NAQ | H19 | 10.3° | 180.0° |
CAV | CAL | CAU | CAJ | 0.0° | 0.2° |
CAV | CAL | CAU | H5 | 180.0° | 179.7° |
CAV | CAL | CAU | CL | 180.0° | 179.7° |
CAL | CAV | CAK | H8 | 180.0° | 179.7° |
CAL | CAV | CAO | H9 | 105.7° | 29.5° |
CAL | CAV | CAO | H10 | 136.4° | 149.5° |
CAJ | CAU | CAL | CL | 179.9° | 180.0° |
CAJ | CAU | CAL | H5 | 180.0° | 180.0° |
CAU | CAJ | CAI | H7 | 180.0° | 180.0° |
OAE | CAW | CAX | NAQ | 1.2° | 0.2° |
CAW | CAX | NAQ | CAN | 45.9° | 179.6° |
CAW | CAX | NAQ | H19 | 168.1° | 0.4° |
CAX | CAW | OAE | H20 | 0.2° | 179.7° |
O6 | C6 | C5 | N7 | 1.9° | 0.0° |
O6 | C6 | C5 | N1 | 179.0° | 180.0° |
O6 | C6 | C5 | C4 | 179.6° | 180.0° |
O6 | C6 | N1 | C2 | 177.2° | 180.0° |
O6 | C6 | N1 | H2 | 2.8° | 0.0° |
CAX | NAQ | CAN | H19 | 122.2° | 180.0° |
CAX | NAQ | CAN | CBF | 159.5° | 180.0° |
CAX | NAQ | CAN | H17 | 80.3° | 60.0° |
CAX | NAQ | CAN | H18 | 39.3° | 59.9° |
C8 | N7 | C5 | C6 | 179.5° | 180.0° |
N7 | C8 | N9 | H1 | 180.0° | 179.6° |
C8 | N7 | C5 | C4 | 1.6° | 0.0° |
N7 | C8 | N9 | C4 | 2.2° | 0.4° |
N7 | C8 | N9 | CBG | 175.4° | 180.0° |
C8 | N7 | CAO | H9 | 22.3° | 145.0° |
C8 | N7 | CAO | H10 | 140.3° | 25.0° |
N7 | C5 | C6 | C4 | 177.7° | 180.0° |
N7 | C5 | C6 | N1 | 177.0° | 179.9° |
C5 | N7 | C8 | N9 | 0.4° | 0.3° |
N7 | C5 | C4 | N9 | 3.0° | 0.2° |
N7 | C5 | C4 | N3 | 179.1° | 180.0° |
C5 | N7 | C8 | H1 | 179.6° | 179.9° |
C5 | N7 | CAO | H9 | 154.7° | 35.0° |
C5 | N7 | CAO | H10 | 36.8° | 155.0° |
CAL | CAU | CAJ | H6 | 180.0° | 180.0° |
CL | CAU | CAL | H5 | 0.0° | 0.0° |
CL | CAU | CAJ | H6 | 0.0° | 0.0° |
C5 | C6 | N1 | C2 | 3.9° | 0.1° |
C6 | C5 | C4 | N9 | 178.8° | 179.8° |
C6 | C5 | C4 | N3 | 0.9° | 0.0° |
C5 | C6 | N1 | H2 | 176.2° | 180.0° |
N1 | C6 | C5 | C4 | 0.7° | 0.0° |
C6 | N1 | C2 | H2 | 180.0° | 179.9° |
C6 | N1 | C2 | N3 | 5.5° | 0.0° |
C6 | N1 | C2 | N2 | 180.0° | 180.0° |
C8 | N9 | C4 | C5 | 3.2° | 0.4° |
C8 | N9 | C4 | CBG | 172.9° | 179.6° |
C8 | N9 | C4 | N3 | 179.2° | 179.9° |
C8 | N9 | CBG | OAS | 9.4° | 19.1° |
C8 | N9 | CBG | CBE | 101.4° | 95.0° |
C8 | N9 | CBG | H11 | 137.4° | 142.1° |
NAQ | CAN | CBF | H17 | 120.2° | 120.0° |
NAQ | CAN | CBF | H18 | 120.2° | 120.1° |
NAQ | CAN | CBF | OAS | 0.8° | 66.5° |
NAQ | CAN | CBF | CBD | 117.0° | 175.7° |
NAQ | CAN | CBF | H16 | 121.8° | 54.6° |
NAQ | CAN | H17 | H18 | 119.4° | 120.0° |
C5 | C4 | N9 | N3 | 177.6° | 179.7° |
C5 | C4 | N9 | CBG | 176.1° | 180.0° |
C5 | C4 | N3 | C2 | 0.9° | 0.0° |
N1 | C2 | N3 | C4 | 4.1° | 0.0° |
N1 | C2 | N3 | N2 | 174.5° | 180.0° |
N1 | C2 | N2 | H3 | 174.4° | 0.1° |
N1 | C2 | N2 | H4 | 5.6° | 180.0° |
C4 | N9 | CBG | OAS | 179.0° | 160.5° |
N9 | C4 | N3 | C2 | 176.5° | 179.7° |
C4 | N9 | CBG | CBE | 70.2° | 85.4° |
C4 | N9 | C8 | H1 | 177.8° | 180.0° |
C4 | N9 | CBG | H11 | 51.0° | 37.5° |
CBG | N9 | C4 | N3 | 6.3° | 0.2° |
N9 | CBG | OAS | CBE | 114.8° | 118.6° |
N9 | CBG | OAS | H11 | 127.7° | 122.9° |
N9 | CBG | OAS | CBF | 98.9° | 158.6° |
N9 | CBG | CBE | H11 | 121.5° | 122.8° |
N9 | CBG | CBE | CBD | 82.4° | 155.5° |
N9 | CBG | CBE | OAG | 161.2° | 86.3° |
CBG | N9 | C8 | H1 | 4.6° | 0.3° |
N9 | CBG | CBE | H12 | 36.3° | 37.4° |
C4 | N3 | C2 | N2 | 178.7° | 179.9° |
CAN | CBF | OAS | CBG | 135.2° | 145.9° |
CAN | CBF | OAS | CBD | 122.5° | 119.4° |
CAN | CBF | OAS | H16 | 121.8° | 121.2° |
CAN | CBF | CBD | H16 | 120.8° | 121.2° |
CAN | CBF | CBD | CBE | 158.8° | 121.5° |
CAN | CBF | CBD | OAF | 85.6° | 119.9° |
CAN | CBF | CBD | H14 | 40.4° | 2.7° |
CBF | CAN | H17 | H18 | 119.4° | 120.0° |
CBF | CAN | NAQ | H19 | 37.3° | 0.1° |
OAS | CBG | CBE | H11 | 118.2° | 118.6° |
CBG | OAS | CBF | CBD | 12.7° | 26.5° |
OAS | CBG | CBE | CBD | 37.9° | 37.0° |
OAS | CBG | CBE | OAG | 78.5° | 155.2° |
OAS | CBG | CBE | H12 | 156.6° | 81.2° |
CBG | OAS | CBF | H16 | 102.9° | 92.9° |
CBF | OAS | CBG | CBE | 15.9° | 40.1° |
OAS | CBF | CBD | H16 | 116.1° | 119.4° |
OAS | CBF | CBD | CBE | 35.7° | 2.1° |
OAS | CBF | CBD | OAF | 151.3° | 120.7° |
CBF | OAS | CBG | H11 | 133.4° | 78.5° |
OAS | CBF | CBD | H14 | 82.7° | 116.7° |
OAS | CBF | CAN | H17 | 119.4° | 173.6° |
OAS | CBF | CAN | H18 | 121.0° | 53.6° |
N3 | C2 | N1 | H2 | 174.6° | 180.0° |
N3 | C2 | N2 | H3 | 0.0° | 180.0° |
N3 | C2 | N2 | H4 | 180.0° | 0.1° |
N2 | C2 | N1 | H2 | 0.0° | 0.1° |
C2 | N2 | H3 | H4 | 180.0° | 179.9° |
CBG | CBE | CBD | CBF | 46.4° | 20.8° |
CBG | CBE | CBD | OAG | 116.4° | 118.3° |
CBG | CBE | CBD | H12 | 118.7° | 118.2° |
CBG | CBE | CBD | OAF | 162.1° | 97.8° |
CBG | CBE | OAG | H12 | 124.2° | 123.7° |
CBG | CBE | OAG | H13 | 180.0° | 180.0° |
CBG | CBE | CBD | H14 | 72.0° | 139.6° |
CBF | CBD | CBE | OAF | 115.7° | 118.6° |
CBF | CBD | CBE | H14 | 118.5° | 118.8° |
CBF | CBD | OAF | H14 | 125.2° | 122.7° |
CBF | CBD | CBE | OAG | 69.9° | 139.1° |
CBF | CBD | CBE | H12 | 165.1° | 97.4° |
CBF | CBD | OAF | H15 | 180.0° | 176.2° |
CBD | CBF | CAN | H17 | 3.2° | 55.8° |
CBD | CBF | CAN | H18 | 122.8° | 64.2° |
CBE | CBD | OAF | H14 | 125.0° | 122.6° |
CBD | CBE | OAG | H12 | 124.2° | 123.6° |
CBD | CBE | CBG | H11 | 156.2° | 81.6° |
CBD | CBE | OAG | H13 | 68.4° | 67.3° |
CBE | CBD | OAF | H15 | 70.2° | 61.5° |
CBE | CBD | CBF | H16 | 80.5° | 117.3° |
OAF | CBD | CBE | OAG | 45.7° | 20.4° |
OAF | CBD | CBE | H12 | 79.2° | 144.0° |
OAF | CBD | CBF | H16 | 35.2° | 1.3° |
OAG | CBE | CBG | H11 | 39.8° | 36.5° |
OAG | CBE | CBD | H14 | 171.6° | 102.1° |
H6 | CAJ | CAI | H7 | 0.0° | 0.0° |
H7 | CAI | CAK | H8 | 0.0° | 0.0° |
H11 | CBG | CBE | H12 | 85.2° | 160.2° |
H12 | CBE | OAG | H13 | 55.8° | 56.3° |
H12 | CBE | CBD | H14 | 46.6° | 21.5° |
H14 | CBD | OAF | H15 | 54.8° | 61.1° |
H14 | CBD | CBF | H16 | 161.2° | 123.9° |
H16 | CBF | CAN | H17 | 118.0° | 65.4° |
H16 | CBF | CAN | H18 | 1.6° | 174.7° |
H17 | CAN | NAQ | H19 | 157.5° | 120.0° |
H18 | CAN | NAQ | H19 | 82.9° | 120.0° |