79U
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAV | NAT | sing | 1.47Å | 1.47Å | |
OAS | CAR | doub | 1.22Å | 1.23Å | |
NAT | CAR | sing | 1.35Å | 1.36Å | |
NAT | CAU | sing | 1.46Å | 1.50Å | |
CAR | CAQ | sing | 1.48Å | 1.42Å | |
CAQ | CAP | doub | 1.39Å | 1.42Å | Aromatic |
CAQ | CAW | sing | 1.40Å | 1.42Å | Aromatic |
CAP | CAO | sing | 1.39Å | 1.38Å | Aromatic |
CAW | CAX | doub | 1.36Å | 1.41Å | Aromatic |
FAD | CAB | sing | 1.40Å | 1.39Å | |
CAO | CAM | sing | 1.47Å | 1.36Å | Aromatic |
CAO | CAY | doub | 1.41Å | 1.36Å | Aromatic |
OAL | CAM | sing | 1.36Å | 1.39Å | |
OAL | CAK | sing | 1.36Å | 1.41Å | |
CAX | CAY | sing | 1.39Å | 1.36Å | Aromatic |
CAM | NAN | doub | 1.31Å | 1.34Å | Aromatic |
CL1 | CAI | sing | 1.74Å | 1.76Å | |
CAK | CAI | doub | 1.39Å | 1.38Å | Aromatic |
CAK | CAE | sing | 1.39Å | 1.38Å | Aromatic |
CAY | NAZ | sing | 1.37Å | 1.39Å | Aromatic |
CAB | CAE | sing | 1.51Å | 1.43Å | |
CAB | FAC | sing | 1.40Å | 1.36Å | |
CAB | FAA | sing | 1.40Å | 1.37Å | |
CAI | CAH | sing | 1.38Å | 1.40Å | Aromatic |
CAE | CAF | doub | 1.38Å | 1.41Å | Aromatic |
NAN | NAZ | sing | 1.40Å | 1.28Å | Aromatic |
CAH | CAG | doub | 1.38Å | 1.39Å | Aromatic |
NAZ | CBA | sing | 1.39Å | 1.37Å | |
CAF | CAG | sing | 1.38Å | 1.40Å | Aromatic |
CBA | CBB | doub | 1.39Å | 1.42Å | Aromatic |
CBA | CBI | sing | 1.39Å | 1.42Å | Aromatic |
CBB | CBC | sing | 1.38Å | 1.39Å | Aromatic |
CBI | CBH | doub | 1.38Å | 1.40Å | Aromatic |
CBC | CBD | doub | 1.40Å | 1.41Å | Aromatic |
CBH | CBD | sing | 1.40Å | 1.41Å | Aromatic |
CBD | CBE | sing | 1.48Å | 1.44Å | |
CBE | OBG | doub | 1.22Å | 1.27Å | |
CBE | OBF | sing | 1.35Å | 1.26Å | |
CAF | H1 | sing | 1.08Å | 1.08Å | |
CAG | H2 | sing | 1.08Å | 1.08Å | |
CAH | H3 | sing | 1.08Å | 1.08Å | |
CAP | H4 | sing | 1.08Å | 1.08Å | |
CAV | H5 | sing | 1.09Å | 1.10Å | |
CAV | H6 | sing | 1.09Å | 1.10Å | |
CAV | H7 | sing | 1.09Å | 1.10Å | |
CAU | H8 | sing | 1.09Å | 1.10Å | |
CAU | H9 | sing | 1.09Å | 1.10Å | |
CAU | H10 | sing | 1.09Å | 1.10Å | |
CAW | H11 | sing | 1.08Å | 1.08Å | |
CAX | H12 | sing | 1.08Å | 1.08Å | |
CBB | H13 | sing | 1.08Å | 1.08Å | |
CBC | H14 | sing | 1.08Å | 1.08Å | |
OBF | H15 | sing | 0.97Å | 0.95Å | |
CBH | H16 | sing | 1.08Å | 1.08Å | |
CBI | H17 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAV | NAT | CAR | 117.8° | 120.0° |
CAV | NAT | CAU | 119.0° | 120.0° |
NAT | CAV | H5 | 109.5° | 109.5° |
NAT | CAV | H6 | 109.5° | 109.5° |
NAT | CAV | H7 | 109.5° | 109.5° |
OAS | CAR | NAT | 120.2° | 120.0° |
OAS | CAR | CAQ | 118.5° | 120.0° |
CAR | NAT | CAU | 122.9° | 120.0° |
NAT | CAR | CAQ | 121.2° | 120.0° |
NAT | CAU | H8 | 109.5° | 109.5° |
NAT | CAU | H9 | 109.5° | 109.5° |
NAT | CAU | H10 | 109.4° | 109.5° |
CAR | CAQ | CAP | 120.5° | 120.0° |
CAR | CAQ | CAW | 121.0° | 119.9° |
CAP | CAQ | CAW | 118.3° | 120.1° |
CAQ | CAP | CAO | 120.4° | 119.4° |
CAQ | CAP | H4 | 119.8° | 120.3° |
CAQ | CAW | CAX | 117.6° | 120.6° |
CAQ | CAW | H11 | 121.2° | 119.7° |
CAP | CAO | CAM | 133.7° | 133.8° |
CAP | CAO | CAY | 121.5° | 119.9° |
CAO | CAP | H4 | 119.8° | 120.3° |
CAW | CAX | CAY | 123.3° | 120.2° |
CAX | CAW | H11 | 121.2° | 119.7° |
CAW | CAX | H12 | 118.3° | 119.9° |
FAD | CAB | CAE | 111.7° | 109.4° |
FAD | CAB | FAC | 106.3° | 109.5° |
FAD | CAB | FAA | 111.3° | 109.5° |
CAM | CAO | CAY | 104.9° | 106.3° |
CAO | CAM | OAL | 129.1° | 126.2° |
CAO | CAM | NAN | 109.4° | 107.6° |
CAO | CAY | CAX | 118.9° | 119.8° |
CAO | CAY | NAZ | 108.1° | 106.8° |
CAM | OAL | CAK | 123.7° | 118.0° |
OAL | CAM | NAN | 121.4° | 126.2° |
OAL | CAK | CAI | 119.3° | 120.0° |
OAL | CAK | CAE | 120.1° | 120.1° |
CAX | CAY | NAZ | 133.0° | 133.5° |
CAY | CAX | H12 | 118.4° | 119.9° |
CAM | NAN | NAZ | 109.6° | 110.1° |
CL1 | CAI | CAK | 117.5° | 120.1° |
CL1 | CAI | CAH | 121.3° | 120.0° |
CAI | CAK | CAE | 120.4° | 119.9° |
CAK | CAI | CAH | 121.2° | 119.9° |
CAK | CAE | CAB | 121.1° | 120.0° |
CAK | CAE | CAF | 118.9° | 119.9° |
CAY | NAZ | NAN | 107.7° | 109.2° |
CAY | NAZ | CBA | 128.5° | 125.4° |
CAE | CAB | FAC | 112.7° | 109.5° |
CAE | CAB | FAA | 105.9° | 109.5° |
CAB | CAE | CAF | 119.9° | 120.1° |
FAC | CAB | FAA | 109.0° | 109.5° |
CAI | CAH | CAG | 119.3° | 120.1° |
CAI | CAH | H3 | 120.3° | 120.0° |
CAE | CAF | CAG | 121.2° | 120.1° |
CAE | CAF | H1 | 119.4° | 119.9° |
NAN | NAZ | CBA | 123.4° | 125.4° |
CAH | CAG | CAF | 118.9° | 120.1° |
CAH | CAG | H2 | 120.5° | 120.0° |
CAG | CAH | H3 | 120.3° | 119.9° |
NAZ | CBA | CBB | 122.4° | 119.9° |
NAZ | CBA | CBI | 119.8° | 119.9° |
CAG | CAF | H1 | 119.4° | 120.0° |
CAF | CAG | H2 | 120.5° | 119.9° |
CBB | CBA | CBI | 117.8° | 120.1° |
CBA | CBB | CBC | 121.0° | 120.1° |
CBA | CBB | H13 | 119.5° | 120.0° |
CBA | CBI | CBH | 121.1° | 120.1° |
CBA | CBI | H17 | 119.5° | 120.0° |
CBB | CBC | CBD | 121.5° | 119.9° |
CBC | CBB | H13 | 119.5° | 120.0° |
CBB | CBC | H14 | 119.3° | 120.0° |
CBI | CBH | CBD | 120.6° | 119.9° |
CBI | CBH | H16 | 119.7° | 120.0° |
CBH | CBI | H17 | 119.5° | 119.9° |
CBC | CBD | CBH | 118.0° | 119.9° |
CBC | CBD | CBE | 120.7° | 120.1° |
CBD | CBC | H14 | 119.3° | 120.1° |
CBH | CBD | CBE | 121.2° | 120.1° |
CBD | CBH | H16 | 119.7° | 120.1° |
CBD | CBE | OBG | 121.9° | 120.0° |
CBD | CBE | OBF | 120.8° | 120.0° |
OBG | CBE | OBF | 116.9° | 120.0° |
CBE | OBF | H15 | 109.5° | 117.0° |
H5 | CAV | H6 | 109.4° | 109.5° |
H5 | CAV | H7 | 109.4° | 109.4° |
H6 | CAV | H7 | 109.5° | 109.5° |
H8 | CAU | H9 | 109.5° | 109.5° |
H8 | CAU | H10 | 109.5° | 109.4° |
H9 | CAU | H10 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAV | NAT | CAR | OAS | 0.3° | 175.1° |
CAV | NAT | CAR | CAU | 173.7° | 180.0° |
CAV | NAT | CAR | CAQ | 176.2° | 4.9° |
NAT | CAV | H5 | H6 | 120.0° | 120.0° |
NAT | CAV | H5 | H7 | 120.0° | 120.0° |
NAT | CAV | H6 | H7 | 120.0° | 120.0° |
CAV | NAT | CAU | H8 | 180.0° | 180.0° |
CAV | NAT | CAU | H9 | 60.0° | 60.0° |
CAV | NAT | CAU | H10 | 60.0° | 60.0° |
OAS | CAR | NAT | CAQ | 176.5° | 180.0° |
OAS | CAR | NAT | CAU | 173.3° | 4.9° |
OAS | CAR | CAQ | CAP | 112.1° | 140.3° |
OAS | CAR | CAQ | CAW | 62.7° | 39.6° |
NAT | CAR | CAQ | CAP | 64.4° | 39.7° |
NAT | CAR | CAQ | CAW | 120.7° | 140.4° |
CAR | NAT | CAV | H5 | 180.0° | 85.8° |
CAR | NAT | CAV | H6 | 60.0° | 154.1° |
CAR | NAT | CAV | H7 | 60.0° | 34.1° |
CAR | NAT | CAU | H8 | 6.4° | 0.0° |
CAR | NAT | CAU | H9 | 113.6° | 120.0° |
CAR | NAT | CAU | H10 | 126.4° | 120.0° |
CAU | NAT | CAR | CAQ | 10.2° | 175.1° |
CAU | NAT | CAV | H5 | 6.1° | 94.2° |
CAU | NAT | CAV | H6 | 113.9° | 25.8° |
CAU | NAT | CAV | H7 | 126.1° | 145.8° |
NAT | CAU | H8 | H9 | 120.0° | 120.0° |
NAT | CAU | H8 | H10 | 120.0° | 120.0° |
NAT | CAU | H9 | H10 | 120.0° | 120.1° |
CAR | CAQ | CAP | CAW | 175.0° | 179.9° |
CAR | CAQ | CAP | CAO | 178.6° | 180.0° |
CAR | CAQ | CAW | CAX | 177.0° | 180.0° |
CAR | CAQ | CAP | H4 | 1.5° | 0.1° |
CAR | CAQ | CAW | H11 | 3.0° | 0.2° |
CAQ | CAP | CAO | H4 | 180.0° | 179.9° |
CAP | CAQ | CAW | CAX | 2.1° | 0.1° |
CAQ | CAP | CAO | CAM | 177.2° | 180.0° |
CAQ | CAP | CAO | CAY | 2.3° | 0.1° |
CAP | CAQ | CAW | H11 | 177.9° | 180.0° |
CAW | CAQ | CAP | CAO | 3.6° | 0.1° |
CAQ | CAW | CAX | H11 | 180.0° | 179.8° |
CAQ | CAW | CAX | CAY | 0.8° | 0.2° |
CAW | CAQ | CAP | H4 | 176.4° | 180.0° |
CAQ | CAW | CAX | H12 | 179.2° | 180.0° |
CAP | CAO | CAM | CAY | 179.6° | 179.9° |
CAP | CAO | CAM | OAL | 0.3° | 0.1° |
CAP | CAO | CAY | CAX | 0.5° | 0.1° |
CAP | CAO | CAM | NAN | 177.9° | 179.9° |
CAP | CAO | CAY | NAZ | 178.9° | 179.9° |
CAW | CAX | CAY | CAO | 2.1° | 0.1° |
CAW | CAX | CAY | H12 | 180.0° | 179.9° |
CAW | CAX | CAY | NAZ | 177.1° | 179.9° |
FAD | CAB | CAE | CAK | 68.2° | 59.7° |
FAD | CAB | CAE | FAC | 119.5° | 120.0° |
FAD | CAB | CAE | FAA | 121.4° | 120.0° |
FAD | CAB | FAC | FAA | 120.1° | 120.0° |
FAD | CAB | CAE | CAF | 113.5° | 120.0° |
CAO | CAM | OAL | NAN | 177.3° | 179.8° |
CAO | CAM | OAL | CAK | 169.8° | 179.7° |
CAM | CAO | CAY | CAX | 179.8° | 180.0° |
CAM | CAO | CAY | NAZ | 0.8° | 0.2° |
CAO | CAM | NAN | NAZ | 5.2° | 0.2° |
CAM | CAO | CAP | H4 | 2.7° | 0.1° |
CAY | CAO | CAM | OAL | 180.0° | 180.0° |
CAO | CAY | CAX | NAZ | 179.2° | 179.7° |
CAY | CAO | CAM | NAN | 2.5° | 0.2° |
CAO | CAY | NAZ | NAN | 4.0° | 0.1° |
CAO | CAY | NAZ | CBA | 177.6° | 179.9° |
CAY | CAO | CAP | H4 | 177.7° | 180.0° |
CAO | CAY | CAX | H12 | 177.9° | 180.0° |
CAM | OAL | CAK | CAI | 78.9° | 90.0° |
CAM | OAL | CAK | CAE | 106.0° | 90.6° |
OAL | CAM | NAN | NAZ | 177.1° | 180.0° |
CAK | OAL | CAM | NAN | 12.9° | 0.1° |
OAL | CAK | CAI | CL1 | 4.0° | 0.3° |
OAL | CAK | CAI | CAE | 175.1° | 179.4° |
OAL | CAK | CAE | CAB | 3.7° | 0.3° |
OAL | CAK | CAI | CAH | 178.7° | 180.0° |
OAL | CAK | CAE | CAF | 177.9° | 180.0° |
CAX | CAY | NAZ | NAN | 176.7° | 179.8° |
CAX | CAY | NAZ | CBA | 3.1° | 0.1° |
CAY | CAX | CAW | H11 | 179.2° | 180.0° |
CAM | NAN | NAZ | CAY | 5.6° | 0.1° |
CAM | NAN | NAZ | CBA | 179.6° | 180.0° |
CL1 | CAI | CAK | CAH | 177.3° | 179.8° |
CL1 | CAI | CAK | CAE | 179.1° | 179.6° |
CL1 | CAI | CAH | CAG | 179.3° | 180.0° |
CL1 | CAI | CAH | H3 | 0.7° | 0.1° |
CAI | CAK | CAE | CAB | 178.7° | 179.7° |
CAI | CAK | CAE | CAF | 2.9° | 0.6° |
CAK | CAI | CAH | CAG | 2.1° | 0.2° |
CAK | CAI | CAH | H3 | 177.9° | 179.7° |
CAK | CAE | CAB | CAF | 178.3° | 179.7° |
CAK | CAE | CAB | FAC | 51.3° | 179.7° |
CAK | CAE | CAB | FAA | 170.4° | 60.3° |
CAE | CAK | CAI | CAH | 3.6° | 0.6° |
CAK | CAE | CAF | CAG | 0.8° | 0.3° |
CAK | CAE | CAF | H1 | 179.2° | 179.7° |
CAY | NAZ | NAN | CBA | 174.1° | 179.9° |
CAY | NAZ | CBA | CBB | 41.1° | 145.1° |
CAY | NAZ | CBA | CBI | 138.7° | 35.1° |
NAZ | CAY | CAX | H12 | 2.9° | 0.3° |
CAE | CAB | FAC | FAA | 117.3° | 120.0° |
CAB | CAE | CAF | CAG | 179.1° | 180.0° |
CAB | CAE | CAF | H1 | 0.9° | 0.0° |
FAC | CAB | CAE | CAF | 127.0° | 0.0° |
FAA | CAB | CAE | CAF | 7.9° | 120.0° |
CAI | CAH | CAG | H3 | 180.0° | 179.9° |
CAI | CAH | CAG | CAF | 0.0° | 0.1° |
CAI | CAH | CAG | H2 | 180.0° | 180.0° |
CAE | CAF | CAG | CAH | 0.7° | 0.1° |
CAE | CAF | CAG | H1 | 180.0° | 180.0° |
CAE | CAF | CAG | H2 | 179.3° | 180.0° |
NAN | NAZ | CBA | CBB | 146.2° | 35.0° |
NAN | NAZ | CBA | CBI | 34.0° | 144.8° |
CAH | CAG | CAF | H2 | 180.0° | 179.9° |
CAH | CAG | CAF | H1 | 179.3° | 179.9° |
NAZ | CBA | CBB | CBI | 179.8° | 179.8° |
NAZ | CBA | CBB | CBC | 178.4° | 180.0° |
NAZ | CBA | CBI | CBH | 179.3° | 179.7° |
NAZ | CBA | CBB | H13 | 1.6° | 0.0° |
NAZ | CBA | CBI | H17 | 0.6° | 0.0° |
CAF | CAG | CAH | H3 | 180.0° | 180.0° |
CBA | CBB | CBC | H13 | 180.0° | 179.9° |
CBB | CBA | CBI | CBH | 0.5° | 0.5° |
CBA | CBB | CBC | CBD | 0.4° | 0.1° |
CBA | CBB | CBC | H14 | 179.6° | 180.0° |
CBB | CBA | CBI | H17 | 179.5° | 179.8° |
CBI | CBA | CBB | CBC | 1.4° | 0.2° |
CBA | CBI | CBH | H17 | 180.0° | 179.7° |
CBA | CBI | CBH | CBD | 1.5° | 0.5° |
CBI | CBA | CBB | H13 | 178.6° | 179.7° |
CBA | CBI | CBH | H16 | 178.5° | 179.7° |
CBB | CBC | CBD | H14 | 180.0° | 180.0° |
CBB | CBC | CBD | CBH | 1.6° | 0.0° |
CBB | CBC | CBD | CBE | 179.6° | 180.0° |
CBI | CBH | CBD | CBC | 2.5° | 0.2° |
CBI | CBH | CBD | H16 | 180.0° | 179.8° |
CBI | CBH | CBD | CBE | 178.7° | 179.7° |
CBC | CBD | CBH | CBE | 178.8° | 179.9° |
CBC | CBD | CBE | OBG | 173.1° | 0.0° |
CBC | CBD | CBE | OBF | 0.8° | 180.0° |
CBD | CBC | CBB | H13 | 179.6° | 180.0° |
CBC | CBD | CBH | H16 | 177.4° | 180.0° |
CBH | CBD | CBE | OBG | 8.2° | 180.0° |
CBH | CBD | CBE | OBF | 179.5° | 0.1° |
CBH | CBD | CBC | H14 | 178.4° | 180.0° |
CBD | CBH | CBI | H17 | 178.5° | 179.8° |
CBD | CBE | OBG | OBF | 172.6° | 180.0° |
CBE | CBD | CBC | H14 | 0.4° | 0.1° |
CBD | CBE | OBF | H15 | 172.7° | 180.0° |
CBE | CBD | CBH | H16 | 1.3° | 0.1° |
OBG | CBE | OBF | H15 | 0.0° | 0.0° |
H1 | CAF | CAG | H2 | 0.7° | 0.0° |
H2 | CAG | CAH | H3 | 0.0° | 0.1° |
H5 | CAV | H6 | H7 | 120.0° | 120.0° |
H8 | CAU | H9 | H10 | 120.0° | 119.9° |
H11 | CAW | CAX | H12 | 0.8° | 0.1° |
H13 | CBB | CBC | H14 | 0.4° | 0.0° |
H16 | CBH | CBI | H17 | 1.6° | 0.0° |