0YU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAP | CAR | sing | 1.54Å | 1.49Å | |
CAP | NAT | sing | 1.47Å | 1.47Å | |
CAI | CAE | doub | 1.38Å | 1.40Å | Aromatic |
CAI | CBF | sing | 1.40Å | 1.37Å | Aromatic |
CAE | CBD | sing | 1.39Å | 1.38Å | Aromatic |
CAR | NAX | sing | 1.47Å | 1.45Å | |
NAX | CBB | doub | 1.29Å | 1.34Å | |
NAT | CBB | sing | 1.37Å | 1.33Å | |
CBB | CBF | sing | 1.48Å | 1.32Å | |
CBF | CAJ | doub | 1.40Å | 1.38Å | Aromatic |
CBD | NAV | sing | 1.39Å | 1.31Å | |
CBD | CAF | doub | 1.39Å | 1.38Å | Aromatic |
NAV | CAZ | sing | 1.35Å | 1.34Å | |
OAC | NBK | sing | 1.22Å | 0.78Å | |
CAJ | CAF | sing | 1.38Å | 1.39Å | Aromatic |
CAH | CAL | doub | 1.38Å | 1.41Å | Aromatic |
CAH | CBE | sing | 1.39Å | 1.39Å | Aromatic |
NBK | CBJ | sing | 1.48Å | 1.27Å | |
NBK | OAD | doub | 1.22Å | 1.11Å | |
CAO | CBJ | doub | 1.38Å | 1.40Å | Aromatic |
CAO | CBH | sing | 1.40Å | 1.39Å | Aromatic |
CAZ | CBH | sing | 1.48Å | 1.39Å | |
CAZ | OAA | doub | 1.22Å | 1.21Å | |
CBJ | CBI | sing | 1.40Å | 1.36Å | Aromatic |
NAW | CBA | sing | 1.35Å | 1.33Å | |
NAW | CBE | sing | 1.40Å | 1.31Å | |
CBH | CAM | doub | 1.40Å | 1.36Å | Aromatic |
CAL | CBG | sing | 1.40Å | 1.39Å | Aromatic |
CBI | CAN | doub | 1.40Å | 1.36Å | Aromatic |
CBI | CBA | sing | 1.48Å | 1.38Å | |
CAM | CAN | sing | 1.38Å | 1.39Å | Aromatic |
CBA | OAB | doub | 1.22Å | 1.19Å | |
CBE | CAG | doub | 1.39Å | 1.37Å | Aromatic |
CBG | CBC | sing | 1.48Å | 1.32Å | |
CBG | CAK | doub | 1.40Å | 1.37Å | Aromatic |
CAG | CAK | sing | 1.38Å | 1.36Å | Aromatic |
CBC | NAU | sing | 1.36Å | 1.35Å | Aromatic |
CBC | NAY | doub | 1.31Å | 1.33Å | Aromatic |
NAU | CAQ | sing | 1.37Å | 1.45Å | Aromatic |
NAY | CAS | sing | 1.34Å | 1.48Å | Aromatic |
CAQ | CAS | doub | 1.35Å | 1.51Å | Aromatic |
NAU | H1 | sing | 0.97Å | 1.00Å | |
CAQ | H2 | sing | 1.08Å | 1.08Å | |
CAS | H3 | sing | 1.08Å | 1.08Å | |
CAL | H5 | sing | 1.08Å | 1.08Å | |
CAH | H6 | sing | 1.08Å | 1.08Å | |
CAK | H7 | sing | 1.08Å | 1.08Å | |
CAG | H8 | sing | 1.08Å | 1.08Å | |
NAW | H9 | sing | 0.97Å | 1.00Å | |
CAO | H10 | sing | 1.08Å | 1.08Å | |
CAN | H11 | sing | 1.08Å | 1.08Å | |
CAM | H12 | sing | 1.08Å | 1.08Å | |
NAV | H13 | sing | 0.97Å | 1.00Å | |
CAF | H14 | sing | 1.08Å | 1.08Å | |
CAJ | H15 | sing | 1.08Å | 1.08Å | |
CAE | H16 | sing | 1.08Å | 1.08Å | |
CAI | H17 | sing | 1.08Å | 1.08Å | |
CAR | H21 | sing | 1.09Å | 1.10Å | |
CAR | H22 | sing | 1.09Å | 1.10Å | |
CAP | H23 | sing | 1.09Å | 1.10Å | |
CAP | H24 | sing | 1.09Å | 1.10Å | |
NAT | H25 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAR | CAP | NAT | 102.1° | 103.3° |
CAP | CAR | NAX | 98.8° | 104.1° |
CAP | CAR | H21 | 112.1° | 110.5° |
CAP | CAR | H22 | 112.0° | 110.6° |
CAR | CAP | H23 | 111.3° | 110.7° |
CAR | CAP | H24 | 111.3° | 110.7° |
CAP | NAT | CBB | 103.5° | 108.3° |
NAT | CAP | H23 | 111.3° | 110.8° |
NAT | CAP | H24 | 111.3° | 110.4° |
CAP | NAT | H25 | 128.3° | 125.9° |
CAE | CAI | CBF | 120.2° | 119.9° |
CAI | CAE | CBD | 120.4° | 120.1° |
CAI | CAE | H16 | 119.8° | 120.0° |
CAE | CAI | H17 | 119.9° | 120.0° |
CAI | CBF | CBB | 122.0° | 120.1° |
CAI | CBF | CAJ | 119.7° | 119.8° |
CBF | CAI | H17 | 119.9° | 120.0° |
CAE | CBD | NAV | 119.4° | 120.0° |
CAE | CBD | CAF | 118.9° | 120.1° |
CBD | CAE | H16 | 119.8° | 119.9° |
CAR | NAX | CBB | 109.4° | 110.1° |
NAX | CAR | H21 | 112.1° | 110.6° |
NAX | CAR | H22 | 112.1° | 110.5° |
NAX | CBB | NAT | 111.1° | 114.2° |
NAX | CBB | CBF | 122.6° | 122.9° |
NAT | CBB | CBF | 126.2° | 122.9° |
CBB | NAT | H25 | 128.2° | 125.8° |
CBB | CBF | CAJ | 118.3° | 120.1° |
CBF | CAJ | CAF | 119.9° | 120.0° |
CBF | CAJ | H15 | 120.0° | 120.0° |
NAV | CBD | CAF | 121.6° | 119.9° |
CBD | NAV | CAZ | 120.4° | 120.0° |
CBD | NAV | H13 | 119.8° | 120.0° |
CBD | CAF | CAJ | 120.9° | 120.0° |
CBD | CAF | H14 | 119.5° | 120.0° |
NAV | CAZ | CBH | 115.1° | 120.1° |
NAV | CAZ | OAA | 124.6° | 120.0° |
CAZ | NAV | H13 | 119.8° | 120.0° |
OAC | NBK | CBJ | 117.2° | 120.0° |
OAC | NBK | OAD | 123.4° | 120.0° |
CAJ | CAF | H14 | 119.6° | 120.0° |
CAF | CAJ | H15 | 120.0° | 120.0° |
CAL | CAH | CBE | 120.7° | 120.0° |
CAH | CAL | CBG | 119.6° | 119.9° |
CAH | CAL | H5 | 120.2° | 120.0° |
CAL | CAH | H6 | 119.7° | 120.0° |
CAH | CBE | NAW | 126.0° | 119.9° |
CAH | CBE | CAG | 117.3° | 120.1° |
CBE | CAH | H6 | 119.6° | 120.0° |
CBJ | NBK | OAD | 118.7° | 120.0° |
NBK | CBJ | CAO | 121.0° | 120.0° |
NBK | CBJ | CBI | 115.2° | 120.0° |
CBJ | CAO | CBH | 118.9° | 120.0° |
CAO | CBJ | CBI | 123.7° | 120.0° |
CBJ | CAO | H10 | 120.5° | 120.0° |
CAO | CBH | CAZ | 123.6° | 120.1° |
CAO | CBH | CAM | 117.5° | 120.0° |
CBH | CAO | H10 | 120.5° | 120.0° |
CBH | CAZ | OAA | 120.3° | 119.9° |
CAZ | CBH | CAM | 118.9° | 120.0° |
CBJ | CBI | CAN | 116.2° | 120.0° |
CBJ | CBI | CBA | 122.6° | 120.0° |
CBA | NAW | CBE | 115.5° | 120.0° |
NAW | CBA | CBI | 119.9° | 120.0° |
NAW | CBA | OAB | 121.2° | 120.0° |
CBA | NAW | H9 | 122.2° | 120.0° |
NAW | CBE | CAG | 116.6° | 119.9° |
CBE | NAW | H9 | 122.3° | 120.0° |
CBH | CAM | CAN | 122.2° | 120.0° |
CBH | CAM | H12 | 118.9° | 120.0° |
CAL | CBG | CBC | 127.4° | 120.0° |
CAL | CBG | CAK | 118.7° | 119.9° |
CBG | CAL | H5 | 120.2° | 120.1° |
CAN | CBI | CBA | 121.1° | 120.0° |
CBI | CAN | CAM | 121.5° | 120.0° |
CBI | CAN | H11 | 119.3° | 120.0° |
CBI | CBA | OAB | 117.3° | 120.0° |
CAM | CAN | H11 | 119.2° | 120.0° |
CAN | CAM | H12 | 118.9° | 120.1° |
CBE | CAG | CAK | 122.5° | 120.1° |
CBE | CAG | H8 | 118.8° | 119.9° |
CBC | CBG | CAK | 113.8° | 120.1° |
CBG | CBC | NAU | 119.9° | 125.9° |
CBG | CBC | NAY | 126.8° | 125.8° |
CBG | CAK | CAG | 121.1° | 119.9° |
CBG | CAK | H7 | 119.4° | 120.0° |
CAG | CAK | H7 | 119.4° | 120.1° |
CAK | CAG | H8 | 118.8° | 120.0° |
NAU | CBC | NAY | 113.3° | 108.3° |
CBC | NAU | CAQ | 110.2° | 107.0° |
CBC | NAU | H1 | 124.9° | 126.5° |
CBC | NAY | CAS | 107.5° | 109.2° |
NAU | CAQ | CAS | 102.7° | 107.0° |
CAQ | NAU | H1 | 124.9° | 126.5° |
NAU | CAQ | H2 | 128.6° | 126.5° |
NAY | CAS | CAQ | 105.5° | 108.4° |
NAY | CAS | H3 | 127.3° | 125.8° |
CAS | CAQ | H2 | 128.7° | 126.5° |
CAQ | CAS | H3 | 127.3° | 125.8° |
H21 | CAR | H22 | 109.5° | 110.4° |
H23 | CAP | H24 | 109.5° | 110.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAR | CAP | NAT | H23 | 118.8° | 118.6° |
CAR | CAP | NAT | H24 | 118.8° | 118.4° |
CAP | CAR | NAX | H21 | 118.2° | 118.7° |
CAP | CAR | NAX | H22 | 118.2° | 118.8° |
CAP | CAR | NAX | CBB | 23.4° | 0.0° |
CAR | CAP | NAT | CBB | 37.1° | 0.4° |
CAP | CAR | H21 | H22 | 124.9° | 122.7° |
CAR | CAP | H23 | H24 | 123.4° | 123.1° |
CAR | CAP | NAT | H25 | 142.9° | 180.0° |
NAT | CAP | CAR | NAX | 35.5° | 0.2° |
CAP | NAT | CBB | NAX | 23.4° | 0.5° |
CAP | NAT | CBB | H25 | 180.0° | 179.6° |
CAP | NAT | CBB | CBF | 154.9° | 179.8° |
NAT | CAP | CAR | H21 | 153.8° | 118.9° |
NAT | CAP | CAR | H22 | 82.7° | 118.5° |
NAT | CAP | H23 | H24 | 123.4° | 122.9° |
CAE | CAI | CBF | H17 | 180.0° | 180.0° |
CAI | CAE | CBD | H16 | 180.0° | 180.0° |
CAE | CAI | CBF | CBB | 179.8° | 180.0° |
CAE | CAI | CBF | CAJ | 0.1° | 0.2° |
CAI | CAE | CBD | NAV | 179.2° | 180.0° |
CAI | CAE | CBD | CAF | 2.0° | 0.3° |
CBF | CAI | CAE | CBD | 0.7° | 0.0° |
CAI | CBF | CBB | NAX | 16.3° | 0.0° |
CAI | CBF | CBB | NAT | 161.9° | 179.7° |
CAI | CBF | CBB | CAJ | 179.8° | 179.8° |
CAI | CBF | CAJ | CAF | 0.7° | 0.2° |
CAI | CBF | CAJ | H15 | 179.2° | 179.8° |
CBF | CAI | CAE | H16 | 179.3° | 179.9° |
CAE | CBD | NAV | CAF | 177.2° | 179.8° |
CAE | CBD | NAV | CAZ | 157.1° | 36.7° |
CAE | CBD | CAF | CAJ | 2.7° | 0.3° |
CAE | CBD | NAV | H13 | 22.9° | 143.3° |
CAE | CBD | CAF | H14 | 177.3° | 179.7° |
CBD | CAE | CAI | H17 | 179.3° | 180.0° |
CAR | NAX | CBB | NAT | 0.5° | 0.3° |
CAR | NAX | CBB | CBF | 178.9° | 180.0° |
NAX | CAR | H21 | H22 | 125.0° | 122.5° |
NAX | CAR | CAP | H23 | 154.3° | 118.4° |
NAX | CAR | CAP | H24 | 83.3° | 118.4° |
NAX | CBB | NAT | CBF | 178.3° | 179.7° |
NAX | CBB | CBF | CAJ | 163.6° | 179.8° |
CBB | NAX | CAR | H21 | 141.6° | 118.7° |
CBB | NAX | CAR | H22 | 94.9° | 118.9° |
NAX | CBB | NAT | H25 | 156.6° | 179.9° |
NAT | CBB | CBF | CAJ | 18.3° | 0.5° |
CBB | NAT | CAP | H23 | 155.9° | 118.2° |
CBB | NAT | CAP | H24 | 81.7° | 118.8° |
CBB | CBF | CAJ | CAF | 179.1° | 180.0° |
CBB | CBF | CAJ | H15 | 0.9° | 0.0° |
CBB | CBF | CAI | H17 | 0.2° | 0.0° |
CBF | CBB | NAT | H25 | 25.1° | 0.2° |
CBF | CAJ | CAF | CBD | 2.1° | 0.0° |
CBF | CAJ | CAF | H15 | 180.0° | 180.0° |
CBF | CAJ | CAF | H14 | 177.9° | 180.0° |
CAJ | CBF | CAI | H17 | 180.0° | 179.7° |
CBD | NAV | CAZ | H13 | 180.0° | 180.0° |
NAV | CBD | CAF | CAJ | 179.9° | 180.0° |
CBD | NAV | CAZ | CBH | 172.2° | 175.4° |
CBD | NAV | CAZ | OAA | 5.2° | 4.7° |
NAV | CBD | CAF | H14 | 0.1° | 0.0° |
NAV | CBD | CAE | H16 | 0.8° | 0.1° |
CAF | CBD | NAV | CAZ | 20.1° | 143.5° |
CBD | CAF | CAJ | H14 | 180.0° | 180.0° |
CAF | CBD | NAV | H13 | 159.9° | 36.5° |
CBD | CAF | CAJ | H15 | 177.9° | 180.0° |
CAF | CBD | CAE | H16 | 178.0° | 179.7° |
NAV | CAZ | CBH | CAO | 134.4° | 180.0° |
NAV | CAZ | CBH | OAA | 177.6° | 180.0° |
NAV | CAZ | CBH | CAM | 44.6° | 0.2° |
OAC | NBK | CBJ | OAD | 171.2° | 180.0° |
OAC | NBK | CBJ | CAO | 142.6° | 173.5° |
OAC | NBK | CBJ | CBI | 34.0° | 6.5° |
CAL | CAH | CBE | H6 | 180.0° | 180.0° |
CAL | CAH | CBE | NAW | 179.5° | 180.0° |
CAH | CAL | CBG | H5 | 180.0° | 179.9° |
CAL | CAH | CBE | CAG | 4.1° | 0.3° |
CAH | CAL | CBG | CBC | 176.3° | 180.0° |
CAH | CAL | CBG | CAK | 0.1° | 0.3° |
CAH | CBE | NAW | CBA | 148.1° | 147.6° |
CAH | CBE | NAW | CAG | 175.4° | 179.7° |
CBE | CAH | CAL | CBG | 2.7° | 0.0° |
CAH | CBE | CAG | CAK | 2.8° | 0.3° |
CBE | CAH | CAL | H5 | 177.3° | 179.9° |
CAH | CBE | CAG | H8 | 177.2° | 179.7° |
CAH | CBE | NAW | H9 | 31.9° | 32.5° |
NBK | CBJ | CAO | CBI | 176.3° | 180.0° |
NBK | CBJ | CAO | CBH | 179.2° | 179.9° |
NBK | CBJ | CBI | CAN | 179.4° | 180.0° |
NBK | CBJ | CBI | CBA | 5.5° | 0.3° |
NBK | CBJ | CAO | H10 | 0.8° | 0.0° |
OAD | NBK | CBJ | CAO | 28.6° | 6.5° |
OAD | NBK | CBJ | CBI | 154.8° | 173.5° |
CBJ | CAO | CBH | H10 | 180.0° | 179.9° |
CBJ | CAO | CBH | CAZ | 179.5° | 180.0° |
CBJ | CAO | CBH | CAM | 1.6° | 0.2° |
CAO | CBJ | CBI | CAN | 2.9° | 0.0° |
CAO | CBJ | CBI | CBA | 177.9° | 179.7° |
CAO | CBH | CAZ | CAM | 178.9° | 179.8° |
CAO | CBH | CAZ | OAA | 48.1° | 0.0° |
CBH | CAO | CBJ | CBI | 2.9° | 0.0° |
CAO | CBH | CAM | CAN | 0.5° | 0.4° |
CAO | CBH | CAM | H12 | 179.5° | 179.9° |
CAZ | CBH | CAM | CAN | 179.5° | 179.8° |
CAZ | CBH | CAO | H10 | 0.5° | 0.0° |
CAZ | CBH | CAM | H12 | 0.5° | 0.3° |
CBH | CAZ | NAV | H13 | 7.8° | 4.7° |
OAA | CAZ | CBH | CAM | 133.0° | 179.7° |
OAA | CAZ | NAV | H13 | 174.8° | 175.3° |
CBJ | CBI | CBA | NAW | 154.0° | 124.7° |
CBJ | CBI | CAN | CBA | 175.2° | 179.7° |
CBJ | CBI | CAN | CAM | 1.7° | 0.3° |
CBJ | CBI | CBA | OAB | 40.1° | 55.3° |
CBI | CBJ | CAO | H10 | 177.1° | 179.9° |
CBJ | CBI | CAN | H11 | 178.3° | 179.7° |
CBA | NAW | CBE | H9 | 180.0° | 180.0° |
NAW | CBA | CBI | CAN | 31.2° | 55.6° |
NAW | CBA | CBI | OAB | 166.0° | 180.0° |
CBA | NAW | CBE | CAG | 36.5° | 32.7° |
CBE | NAW | CBA | CBI | 170.7° | 174.8° |
CBE | NAW | CBA | OAB | 5.3° | 5.2° |
NAW | CBE | CAG | CAK | 178.6° | 180.0° |
NAW | CBE | CAH | H6 | 0.5° | 0.0° |
NAW | CBE | CAG | H8 | 1.3° | 0.1° |
CBH | CAM | CAN | CBI | 0.6° | 0.5° |
CBH | CAM | CAN | H12 | 180.0° | 179.5° |
CAM | CBH | CAO | H10 | 178.4° | 179.7° |
CBH | CAM | CAN | H11 | 179.4° | 179.5° |
CAL | CBG | CBC | CAK | 176.6° | 179.8° |
CAL | CBG | CAK | CAG | 1.5° | 0.2° |
CAL | CBG | CBC | NAU | 108.0° | 0.3° |
CAL | CBG | CBC | NAY | 73.2° | 179.2° |
CBG | CAL | CAH | H6 | 177.2° | 180.0° |
CAL | CBG | CAK | H7 | 178.5° | 179.7° |
CBI | CAN | CAM | H11 | 180.0° | 180.0° |
CAN | CBI | CBA | OAB | 134.8° | 124.4° |
CBI | CAN | CAM | H12 | 179.4° | 180.0° |
CBA | CBI | CAN | CAM | 176.8° | 180.0° |
CBI | CBA | NAW | H9 | 9.3° | 5.1° |
CBA | CBI | CAN | H11 | 3.1° | 0.0° |
OAB | CBA | NAW | H9 | 174.7° | 174.9° |
CBE | CAG | CAK | CBG | 0.0° | 0.1° |
CBE | CAG | CAK | H8 | 180.0° | 180.0° |
CAG | CBE | CAH | H6 | 175.9° | 179.7° |
CBE | CAG | CAK | H7 | 180.0° | 180.0° |
CAG | CBE | NAW | H9 | 143.5° | 147.3° |
CBC | CBG | CAK | CAG | 175.4° | 180.0° |
CBG | CBC | NAU | NAY | 179.0° | 179.6° |
CBG | CBC | NAU | CAQ | 177.7° | 180.0° |
CBG | CBC | NAY | CAS | 175.9° | 179.9° |
CBG | CBC | NAU | H1 | 2.3° | 0.3° |
CBC | CBG | CAL | H5 | 3.7° | 0.0° |
CBC | CBG | CAK | H7 | 4.6° | 0.1° |
CBG | CAK | CAG | H7 | 180.0° | 179.9° |
CAK | CBG | CBC | NAU | 68.6° | 180.0° |
CAK | CBG | CBC | NAY | 110.2° | 0.5° |
CAK | CBG | CAL | H5 | 179.9° | 179.8° |
CBG | CAK | CAG | H8 | 180.0° | 179.9° |
CBC | NAU | CAQ | H1 | 180.0° | 179.6° |
NAU | CBC | NAY | CAS | 3.0° | 0.5° |
CBC | NAU | CAQ | CAS | 7.8° | 0.3° |
CBC | NAU | CAQ | H2 | 172.2° | 179.7° |
NAY | CBC | NAU | CAQ | 3.3° | 0.5° |
CBC | NAY | CAS | CAQ | 7.8° | 0.3° |
NAY | CBC | NAU | H1 | 176.7° | 179.9° |
CBC | NAY | CAS | H3 | 172.3° | 179.7° |
NAU | CAQ | CAS | NAY | 9.1° | 0.0° |
NAU | CAQ | CAS | H2 | 180.0° | 180.0° |
NAU | CAQ | CAS | H3 | 170.9° | 180.0° |
NAY | CAS | CAQ | H3 | 180.0° | 180.0° |
NAY | CAS | CAQ | H2 | 170.9° | 180.0° |
CAS | CAQ | NAU | H1 | 172.2° | 179.9° |
H1 | NAU | CAQ | H2 | 7.8° | 0.1° |
H2 | CAQ | CAS | H3 | 9.1° | 0.0° |
H5 | CAL | CAH | H6 | 2.7° | 0.0° |
H7 | CAK | CAG | H8 | 0.0° | 0.0° |
H11 | CAN | CAM | H12 | 0.6° | 0.0° |
H14 | CAF | CAJ | H15 | 2.1° | 0.0° |
H16 | CAE | CAI | H17 | 0.7° | 0.0° |
H21 | CAR | CAP | H23 | 87.4° | 0.3° |
H21 | CAR | CAP | H24 | 35.0° | 122.9° |
H22 | CAR | CAP | H23 | 36.1° | 122.8° |
H22 | CAR | CAP | H24 | 158.5° | 0.3° |
H23 | CAP | NAT | H25 | 24.1° | 61.4° |
H24 | CAP | NAT | H25 | 98.3° | 61.7° |