7Z0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAR | NAT | sing | 1.40Å | 1.26Å | Aromatic |
NAR | CBC | doub | 1.31Å | 1.34Å | Aromatic |
CAA | OAU | sing | 1.43Å | 1.43Å | |
NAT | CBD | sing | 1.37Å | 1.34Å | Aromatic |
CBC | OAU | sing | 1.36Å | 1.37Å | |
CBC | CBE | sing | 1.46Å | 1.33Å | Aromatic |
CBD | CBE | sing | 1.41Å | 1.34Å | Aromatic |
CBD | NAQ | doub | 1.33Å | 1.33Å | Aromatic |
CBE | CAP | doub | 1.40Å | 1.34Å | Aromatic |
NAQ | CAN | sing | 1.31Å | 1.38Å | Aromatic |
CAP | CAW | sing | 1.40Å | 1.39Å | Aromatic |
CAN | CAW | doub | 1.40Å | 1.40Å | Aromatic |
CAW | CAG | sing | 1.43Å | 1.47Å | |
CAG | CAH | trip | 1.17Å | 1.19Å | |
CAH | CBB | sing | 1.43Å | 1.47Å | |
FAE | CAY | sing | 1.35Å | 1.23Å | |
CBB | CAY | doub | 1.40Å | 1.39Å | Aromatic |
CBB | CAX | sing | 1.40Å | 1.39Å | Aromatic |
FAD | CAX | sing | 1.35Å | 1.37Å | |
CAY | CBA | sing | 1.39Å | 1.38Å | Aromatic |
CAX | CAL | doub | 1.38Å | 1.39Å | Aromatic |
CBA | NAS | sing | 1.40Å | 1.35Å | |
CBA | CAM | doub | 1.39Å | 1.39Å | Aromatic |
CAL | CAM | sing | 1.38Å | 1.40Å | Aromatic |
NAS | SBF | sing | 1.66Å | 1.62Å | |
CAK | CAI | doub | 1.38Å | 1.39Å | Aromatic |
CAK | CAZ | sing | 1.38Å | 1.38Å | Aromatic |
SBF | OAB | doub | 1.42Å | 1.52Å | |
SBF | CAZ | sing | 1.76Å | 1.78Å | |
SBF | OAC | doub | 1.42Å | 1.51Å | |
CAI | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
CAZ | CAO | doub | 1.38Å | 1.39Å | Aromatic |
CAJ | CAV | doub | 1.38Å | 1.39Å | Aromatic |
CAO | CAV | sing | 1.38Å | 1.39Å | Aromatic |
CAV | BR | sing | 1.89Å | 1.86Å | |
CAA | H1 | sing | 1.09Å | 1.10Å | |
CAA | H2 | sing | 1.09Å | 1.10Å | |
CAA | H3 | sing | 1.09Å | 1.10Å | |
CAP | H4 | sing | 1.08Å | 1.08Å | |
CAN | H6 | sing | 1.08Å | 1.08Å | |
CAL | H7 | sing | 1.08Å | 1.08Å | |
CAM | H8 | sing | 1.08Å | 1.08Å | |
NAS | H9 | sing | 0.97Å | 1.00Å | |
CAO | H10 | sing | 1.08Å | 1.08Å | |
CAJ | H11 | sing | 1.08Å | 1.08Å | |
CAI | H12 | sing | 1.08Å | 1.08Å | |
CAK | H13 | sing | 1.08Å | 1.08Å | |
NAT | H5 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NAT | NAR | CBC | 109.4° | 110.1° |
NAR | NAT | CBD | 108.3° | 109.4° |
NAR | NAT | H5 | 125.9° | 125.3° |
NAR | CBC | OAU | 123.5° | 126.2° |
NAR | CBC | CBE | 108.6° | 107.6° |
CAA | OAU | CBC | 112.6° | 117.0° |
OAU | CAA | H1 | 109.5° | 109.5° |
OAU | CAA | H2 | 109.5° | 109.5° |
OAU | CAA | H3 | 109.5° | 109.5° |
NAT | CBD | CBE | 108.7° | 106.6° |
NAT | CBD | NAQ | 130.3° | 133.3° |
CBD | NAT | H5 | 125.9° | 125.3° |
OAU | CBC | CBE | 127.8° | 126.2° |
CBC | CBE | CBD | 105.0° | 106.4° |
CBC | CBE | CAP | 132.7° | 134.1° |
CBE | CBD | NAQ | 120.9° | 120.2° |
CBD | CBE | CAP | 122.3° | 119.5° |
CBD | NAQ | CAN | 119.9° | 121.9° |
CBE | CAP | CAW | 118.7° | 117.9° |
CBE | CAP | H4 | 120.6° | 121.0° |
NAQ | CAN | CAW | 119.1° | 121.3° |
NAQ | CAN | H6 | 120.5° | 119.3° |
CAP | CAW | CAN | 119.0° | 119.2° |
CAP | CAW | CAG | 126.7° | 120.4° |
CAW | CAP | H4 | 120.6° | 121.1° |
CAN | CAW | CAG | 114.3° | 120.4° |
CAW | CAN | H6 | 120.4° | 119.4° |
CAW | CAG | CAH | 177.5° | 180.0° |
CAG | CAH | CBB | 179.7° | 180.0° |
CAH | CBB | CAY | 119.2° | 120.1° |
CAH | CBB | CAX | 121.5° | 120.1° |
FAE | CAY | CBB | 119.7° | 120.1° |
FAE | CAY | CBA | 118.9° | 120.1° |
CAY | CBB | CAX | 119.3° | 119.7° |
CBB | CAY | CBA | 121.4° | 119.7° |
CBB | CAX | FAD | 119.9° | 120.1° |
CBB | CAX | CAL | 120.0° | 119.9° |
FAD | CAX | CAL | 120.1° | 120.0° |
CAY | CBA | NAS | 114.6° | 120.0° |
CAY | CBA | CAM | 119.4° | 120.1° |
CAX | CAL | CAM | 120.3° | 120.3° |
CAX | CAL | H7 | 119.8° | 119.8° |
NAS | CBA | CAM | 125.9° | 120.0° |
CBA | NAS | SBF | 120.3° | 120.0° |
CBA | NAS | H9 | 106.7° | 120.1° |
CBA | CAM | CAL | 119.6° | 120.3° |
CBA | CAM | H8 | 120.2° | 119.9° |
CAM | CAL | H7 | 119.9° | 119.9° |
CAL | CAM | H8 | 120.2° | 119.9° |
NAS | SBF | OAB | 108.4° | 106.4° |
NAS | SBF | CAZ | 111.9° | 107.2° |
NAS | SBF | OAC | 111.3° | 106.4° |
SBF | NAS | H9 | 106.7° | 120.0° |
CAI | CAK | CAZ | 121.2° | 120.1° |
CAK | CAI | CAJ | 120.8° | 120.0° |
CAK | CAI | H12 | 119.6° | 120.0° |
CAI | CAK | H13 | 119.4° | 119.9° |
CAK | CAZ | SBF | 120.2° | 120.0° |
CAK | CAZ | CAO | 118.2° | 120.0° |
CAZ | CAK | H13 | 119.4° | 120.0° |
OAB | SBF | CAZ | 105.7° | 106.4° |
OAB | SBF | OAC | 108.9° | 123.1° |
CAZ | SBF | OAC | 110.4° | 106.4° |
SBF | CAZ | CAO | 121.5° | 120.0° |
CAI | CAJ | CAV | 117.9° | 120.0° |
CAI | CAJ | H11 | 121.1° | 120.0° |
CAJ | CAI | H12 | 119.6° | 120.0° |
CAZ | CAO | CAV | 120.6° | 120.0° |
CAZ | CAO | H10 | 119.7° | 120.0° |
CAJ | CAV | CAO | 121.3° | 120.0° |
CAJ | CAV | BR | 119.6° | 120.0° |
CAV | CAJ | H11 | 121.1° | 120.0° |
CAO | CAV | BR | 119.1° | 120.0° |
CAV | CAO | H10 | 119.7° | 120.0° |
H1 | CAA | H2 | 109.5° | 109.4° |
H1 | CAA | H3 | 109.5° | 109.5° |
H2 | CAA | H3 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAR | NAT | CBD | H5 | 180.0° | 179.7° |
NAT | NAR | CBC | OAU | 178.8° | 180.0° |
NAT | NAR | CBC | CBE | 0.1° | 0.3° |
NAR | NAT | CBD | CBE | 0.6° | 0.1° |
NAR | NAT | CBD | NAQ | 179.8° | 180.0° |
NAR | CBC | OAU | CAA | 6.2° | 0.3° |
CBC | NAR | NAT | CBD | 0.4° | 0.2° |
NAR | CBC | OAU | CBE | 178.4° | 179.7° |
NAR | CBC | CBE | CBD | 0.2° | 0.2° |
NAR | CBC | CBE | CAP | 178.9° | 179.7° |
CBC | NAR | NAT | H5 | 179.6° | 180.0° |
CAA | OAU | CBC | CBE | 172.1° | 180.0° |
OAU | CAA | H1 | H2 | 120.0° | 120.0° |
OAU | CAA | H1 | H3 | 120.0° | 120.0° |
OAU | CAA | H2 | H3 | 120.0° | 120.0° |
NAT | CBD | CBE | CBC | 0.5° | 0.1° |
NAT | CBD | CBE | NAQ | 179.3° | 179.9° |
NAT | CBD | CBE | CAP | 179.3° | 179.9° |
NAT | CBD | NAQ | CAN | 179.3° | 180.0° |
OAU | CBC | CBE | CBD | 178.3° | 180.0° |
OAU | CBC | CBE | CAP | 0.3° | 0.1° |
CBC | OAU | CAA | H1 | 180.0° | 180.0° |
CBC | OAU | CAA | H2 | 60.0° | 60.0° |
CBC | OAU | CAA | H3 | 60.0° | 60.0° |
CBC | CBE | CBD | CAP | 178.8° | 180.0° |
CBC | CBE | CBD | NAQ | 179.8° | 179.8° |
CBC | CBE | CAP | CAW | 179.9° | 180.0° |
CBC | CBE | CAP | H4 | 0.1° | 0.0° |
CBE | CBD | NAQ | CAN | 0.2° | 0.1° |
CBD | CBE | CAP | CAW | 1.5° | 0.0° |
CBD | CBE | CAP | H4 | 178.6° | 180.0° |
CBE | CBD | NAT | H5 | 179.4° | 179.8° |
NAQ | CBD | CBE | CAP | 1.4° | 0.2° |
CBD | NAQ | CAN | CAW | 0.8° | 0.2° |
CBD | NAQ | CAN | H6 | 179.2° | 179.9° |
NAQ | CBD | NAT | H5 | 0.2° | 0.3° |
CBE | CAP | CAW | H4 | 180.0° | 180.0° |
CBE | CAP | CAW | CAN | 0.4° | 0.3° |
CBE | CAP | CAW | CAG | 179.7° | 180.0° |
NAQ | CAN | CAW | CAP | 0.7° | 0.4° |
NAQ | CAN | CAW | H6 | 180.0° | 179.7° |
NAQ | CAN | CAW | CAG | 179.2° | 179.9° |
CAP | CAW | CAN | CAG | 179.9° | 179.7° |
CAP | CAW | CAG | CAH | 177.3° | 139.1° |
CAP | CAW | CAN | H6 | 179.3° | 179.9° |
CAN | CAW | CAG | CAH | 2.8° | 41.2° |
CAN | CAW | CAP | H4 | 179.6° | 179.7° |
CAW | CAG | CAH | CBB | 146.2° | 180.0° |
CAG | CAW | CAP | H4 | 0.3° | 0.0° |
CAG | CAW | CAN | H6 | 0.8° | 0.2° |
CAG | CAH | CBB | CAY | 49.4° | 139.1° |
CAG | CAH | CBB | CAX | 129.4° | 40.6° |
CAH | CBB | CAY | FAE | 0.2° | 0.1° |
CAH | CBB | CAY | CAX | 178.8° | 179.8° |
CAH | CBB | CAX | FAD | 0.7° | 0.0° |
CAH | CBB | CAY | CBA | 179.9° | 180.0° |
CAH | CBB | CAX | CAL | 180.0° | 180.0° |
FAE | CAY | CBB | CBA | 179.9° | 179.9° |
FAE | CAY | CBB | CAX | 179.0° | 179.7° |
FAE | CAY | CBA | NAS | 0.2° | 0.1° |
FAE | CAY | CBA | CAM | 179.7° | 180.0° |
CAY | CBB | CAX | FAD | 179.6° | 179.8° |
CAY | CBB | CAX | CAL | 1.2° | 0.3° |
CBB | CAY | CBA | NAS | 179.9° | 180.0° |
CBB | CAY | CBA | CAM | 0.4° | 0.0° |
CBB | CAX | FAD | CAL | 179.2° | 180.0° |
CAX | CBB | CAY | CBA | 1.1° | 0.2° |
CBB | CAX | CAL | CAM | 0.7° | 0.0° |
CBB | CAX | CAL | H7 | 179.3° | 179.9° |
FAD | CAX | CAL | CAM | 180.0° | 180.0° |
FAD | CAX | CAL | H7 | 0.1° | 0.1° |
CAY | CBA | NAS | CAM | 179.5° | 180.0° |
CAY | CBA | CAM | CAL | 0.1° | 0.3° |
CAY | CBA | NAS | SBF | 177.7° | 144.5° |
CAY | CBA | CAM | H8 | 179.9° | 179.9° |
CAY | CBA | NAS | H9 | 60.8° | 35.5° |
CAX | CAL | CAM | CBA | 0.0° | 0.3° |
CAX | CAL | CAM | H7 | 180.0° | 179.9° |
CAX | CAL | CAM | H8 | 180.0° | 179.9° |
NAS | CBA | CAM | CAL | 179.3° | 179.7° |
CBA | NAS | SBF | H9 | 121.5° | 180.0° |
CBA | NAS | SBF | OAB | 172.0° | 173.9° |
CBA | NAS | SBF | CAZ | 71.8° | 60.4° |
CBA | NAS | SBF | OAC | 52.2° | 53.2° |
NAS | CBA | CAM | H8 | 0.7° | 0.1° |
CBA | CAM | CAL | H8 | 180.0° | 179.7° |
CAM | CBA | NAS | SBF | 2.8° | 35.5° |
CBA | CAM | CAL | H7 | 180.0° | 179.7° |
CAM | CBA | NAS | H9 | 118.7° | 144.5° |
NAS | SBF | CAZ | CAK | 34.5° | 90.3° |
NAS | SBF | OAB | CAZ | 120.2° | 114.1° |
NAS | SBF | OAB | OAC | 121.2° | 123.0° |
NAS | SBF | CAZ | OAC | 124.5° | 113.6° |
NAS | SBF | CAZ | CAO | 148.3° | 90.0° |
CAI | CAK | CAZ | H13 | 180.0° | 179.5° |
CAI | CAK | CAZ | SBF | 178.8° | 179.7° |
CAK | CAI | CAJ | H12 | 180.0° | 179.7° |
CAI | CAK | CAZ | CAO | 1.6° | 0.6° |
CAK | CAI | CAJ | CAV | 0.2° | 0.3° |
CAK | CAI | CAJ | H11 | 179.8° | 179.7° |
CAK | CAZ | SBF | OAB | 83.3° | 156.1° |
CAK | CAZ | SBF | CAO | 177.1° | 179.7° |
CAK | CAZ | SBF | OAC | 159.1° | 23.3° |
CAZ | CAK | CAI | CAJ | 0.9° | 0.6° |
CAK | CAZ | CAO | CAV | 1.6° | 0.3° |
CAK | CAZ | CAO | H10 | 178.4° | 179.7° |
CAZ | CAK | CAI | H12 | 179.1° | 179.7° |
OAB | SBF | CAZ | OAC | 117.6° | 132.9° |
OAB | SBF | CAZ | CAO | 93.8° | 23.6° |
OAB | SBF | NAS | H9 | 50.4° | 6.1° |
SBF | CAZ | CAO | CAV | 178.7° | 180.0° |
CAZ | SBF | NAS | H9 | 166.6° | 119.6° |
SBF | CAZ | CAO | H10 | 1.3° | 0.0° |
SBF | CAZ | CAK | H13 | 1.2° | 0.2° |
OAC | SBF | CAZ | CAO | 23.8° | 156.4° |
OAC | SBF | NAS | H9 | 69.3° | 126.8° |
CAI | CAJ | CAV | H11 | 180.0° | 180.0° |
CAI | CAJ | CAV | CAO | 0.2° | 0.0° |
CAI | CAJ | CAV | BR | 179.7° | 180.0° |
CAJ | CAI | CAK | H13 | 179.1° | 179.9° |
CAZ | CAO | CAV | CAJ | 0.9° | 0.0° |
CAZ | CAO | CAV | H10 | 180.0° | 180.0° |
CAZ | CAO | CAV | BR | 179.6° | 179.9° |
CAO | CAZ | CAK | H13 | 178.4° | 180.0° |
CAJ | CAV | CAO | BR | 179.5° | 179.9° |
CAJ | CAV | CAO | H10 | 179.1° | 180.0° |
CAV | CAJ | CAI | H12 | 179.8° | 180.0° |
CAO | CAV | CAJ | H11 | 179.8° | 180.0° |
BR | CAV | CAO | H10 | 0.4° | 0.1° |
BR | CAV | CAJ | H11 | 0.3° | 0.1° |
H1 | CAA | H2 | H3 | 120.0° | 120.0° |
H7 | CAL | CAM | H8 | 0.0° | 0.0° |
H11 | CAJ | CAI | H12 | 0.2° | 0.0° |
H12 | CAI | CAK | H13 | 0.9° | 0.3° |