O57
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAJ | CAQ | doub | 1.38Å | 1.41Å | Aromatic |
CAJ | CAM | sing | 1.38Å | 1.40Å | Aromatic |
FAB | CAQ | sing | 1.35Å | 1.33Å | |
CAQ | CAN | sing | 1.38Å | 1.39Å | Aromatic |
CAM | CAT | doub | 1.39Å | 1.42Å | Aromatic |
CAT | CAV | sing | 1.39Å | 1.38Å | Aromatic |
CAT | NAP | sing | 1.39Å | 1.43Å | |
CAN | CAV | doub | 1.40Å | 1.44Å | Aromatic |
CAV | CAS | sing | 1.47Å | 1.53Å | |
OAA | CAS | doub | 1.22Å | 1.21Å | |
NAP | CAU | sing | 1.40Å | 1.43Å | |
CAS | NAX | sing | 1.32Å | 1.46Å | |
CAU | CAK | doub | 1.39Å | 1.43Å | Aromatic |
CAU | CAW | sing | 1.39Å | 1.39Å | Aromatic |
NAX | CAO | sing | 1.46Å | 1.48Å | |
NAX | CAW | sing | 1.39Å | 1.49Å | |
CAO | CAR | sing | 1.51Å | 1.49Å | |
CAK | CAF | sing | 1.38Å | 1.38Å | Aromatic |
CAW | CAL | doub | 1.39Å | 1.44Å | Aromatic |
CAR | CAH | doub | 1.38Å | 1.40Å | Aromatic |
CAR | CAI | sing | 1.38Å | 1.38Å | Aromatic |
CAH | CAD | sing | 1.38Å | 1.39Å | Aromatic |
CAF | CAG | doub | 1.38Å | 1.40Å | Aromatic |
CAI | CAE | doub | 1.38Å | 1.39Å | Aromatic |
CAL | CAG | sing | 1.38Å | 1.40Å | Aromatic |
CAD | CAC | doub | 1.38Å | 1.39Å | Aromatic |
CAE | CAC | sing | 1.38Å | 1.39Å | Aromatic |
CAC | H1 | sing | 1.08Å | 1.08Å | |
CAD | H2 | sing | 1.08Å | 1.08Å | |
CAE | H3 | sing | 1.08Å | 1.08Å | |
CAF | H4 | sing | 1.08Å | 1.08Å | |
CAG | H5 | sing | 1.08Å | 1.08Å | |
CAH | H6 | sing | 1.08Å | 1.08Å | |
CAI | H7 | sing | 1.08Å | 1.08Å | |
CAJ | H8 | sing | 1.08Å | 1.08Å | |
CAK | H9 | sing | 1.08Å | 1.08Å | |
CAL | H10 | sing | 1.08Å | 1.08Å | |
CAM | H11 | sing | 1.08Å | 1.08Å | |
CAN | H12 | sing | 1.08Å | 1.08Å | |
CAO | H13 | sing | 1.09Å | 1.10Å | |
CAO | H14 | sing | 1.09Å | 1.10Å | |
NAP | H15 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAQ | CAJ | CAM | 120.3° | 120.3° |
CAJ | CAQ | FAB | 120.5° | 119.8° |
CAJ | CAQ | CAN | 120.9° | 120.4° |
CAQ | CAJ | H8 | 119.8° | 119.9° |
CAJ | CAM | CAT | 118.7° | 120.1° |
CAM | CAJ | H8 | 119.8° | 119.8° |
CAJ | CAM | H11 | 120.6° | 120.0° |
FAB | CAQ | CAN | 118.7° | 119.8° |
CAQ | CAN | CAV | 118.9° | 120.0° |
CAQ | CAN | H12 | 120.5° | 120.0° |
CAM | CAT | CAV | 121.1° | 120.0° |
CAM | CAT | NAP | 117.0° | 119.9° |
CAT | CAM | H11 | 120.6° | 120.0° |
CAV | CAT | NAP | 121.7° | 120.1° |
CAT | CAV | CAN | 120.0° | 119.3° |
CAT | CAV | CAS | 122.5° | 121.1° |
CAT | NAP | CAU | 119.6° | 119.3° |
CAT | NAP | H15 | 120.2° | 120.3° |
CAN | CAV | CAS | 117.5° | 119.6° |
CAV | CAN | H12 | 120.5° | 120.0° |
CAV | CAS | OAA | 117.5° | 117.0° |
CAV | CAS | NAX | 123.1° | 125.8° |
OAA | CAS | NAX | 119.3° | 117.1° |
NAP | CAU | CAK | 113.7° | 119.2° |
NAP | CAU | CAW | 124.4° | 120.7° |
CAU | NAP | H15 | 120.2° | 120.3° |
CAS | NAX | CAO | 113.9° | 116.5° |
CAS | NAX | CAW | 126.9° | 127.0° |
CAK | CAU | CAW | 121.8° | 120.1° |
CAU | CAK | CAF | 119.2° | 120.1° |
CAU | CAK | H9 | 120.4° | 120.0° |
CAU | CAW | NAX | 119.6° | 121.7° |
CAU | CAW | CAL | 117.9° | 119.3° |
CAO | NAX | CAW | 119.1° | 116.5° |
NAX | CAO | CAR | 114.6° | 109.5° |
NAX | CAO | H13 | 108.2° | 109.5° |
NAX | CAO | H14 | 108.2° | 109.5° |
NAX | CAW | CAL | 122.5° | 119.0° |
CAO | CAR | CAH | 119.4° | 120.0° |
CAO | CAR | CAI | 120.6° | 120.0° |
CAR | CAO | H13 | 108.2° | 109.5° |
CAR | CAO | H14 | 108.2° | 109.4° |
CAK | CAF | CAG | 120.5° | 120.0° |
CAK | CAF | H4 | 119.8° | 120.1° |
CAF | CAK | H9 | 120.4° | 119.9° |
CAW | CAL | CAG | 119.7° | 120.3° |
CAW | CAL | H10 | 120.1° | 119.9° |
CAH | CAR | CAI | 120.0° | 120.0° |
CAR | CAH | CAD | 120.3° | 120.0° |
CAR | CAH | H6 | 119.8° | 120.0° |
CAR | CAI | CAE | 119.9° | 120.0° |
CAR | CAI | H7 | 120.1° | 120.0° |
CAH | CAD | CAC | 118.9° | 120.0° |
CAH | CAD | H2 | 120.5° | 120.0° |
CAD | CAH | H6 | 119.9° | 120.0° |
CAF | CAG | CAL | 120.9° | 120.2° |
CAG | CAF | H4 | 119.7° | 120.0° |
CAF | CAG | H5 | 119.6° | 119.9° |
CAI | CAE | CAC | 119.8° | 120.0° |
CAI | CAE | H3 | 120.1° | 120.0° |
CAE | CAI | H7 | 120.0° | 120.0° |
CAL | CAG | H5 | 119.5° | 119.9° |
CAG | CAL | H10 | 120.1° | 119.8° |
CAD | CAC | CAE | 121.0° | 120.0° |
CAD | CAC | H1 | 119.5° | 120.0° |
CAC | CAD | H2 | 120.6° | 120.0° |
CAE | CAC | H1 | 119.5° | 119.9° |
CAC | CAE | H3 | 120.1° | 120.0° |
H13 | CAO | H14 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAQ | CAJ | CAM | H8 | 180.0° | 180.0° |
CAJ | CAQ | FAB | CAN | 179.6° | 180.0° |
CAQ | CAJ | CAM | CAT | 1.3° | 0.0° |
CAJ | CAQ | CAN | CAV | 0.2° | 0.0° |
CAQ | CAJ | CAM | H11 | 178.8° | 179.9° |
CAJ | CAQ | CAN | H12 | 179.8° | 180.0° |
CAM | CAJ | CAQ | FAB | 179.6° | 179.2° |
CAM | CAJ | CAQ | CAN | 0.0° | 0.8° |
CAJ | CAM | CAT | H11 | 180.0° | 179.9° |
CAJ | CAM | CAT | CAV | 2.8° | 1.6° |
CAJ | CAM | CAT | NAP | 177.3° | 178.0° |
FAB | CAQ | CAN | CAV | 179.4° | 180.0° |
FAB | CAQ | CAJ | H8 | 0.4° | 0.8° |
FAB | CAQ | CAN | H12 | 0.6° | 0.0° |
CAQ | CAN | CAV | CAT | 1.7° | 1.6° |
CAQ | CAN | CAV | H12 | 180.0° | 180.0° |
CAQ | CAN | CAV | CAS | 179.3° | 177.2° |
CAN | CAQ | CAJ | H8 | 179.9° | 179.2° |
CAM | CAT | CAV | NAP | 174.2° | 179.6° |
CAM | CAT | CAV | CAN | 3.0° | 2.3° |
CAM | CAT | CAV | CAS | 179.5° | 176.4° |
CAM | CAT | NAP | CAU | 115.3° | 119.4° |
CAT | CAM | CAJ | H8 | 178.7° | 180.0° |
CAM | CAT | NAP | H15 | 64.8° | 60.6° |
CAT | CAV | CAN | CAS | 177.6° | 178.7° |
CAT | CAV | CAS | OAA | 136.8° | 141.4° |
CAV | CAT | NAP | CAU | 59.2° | 60.2° |
CAT | CAV | CAS | NAX | 38.7° | 38.6° |
CAV | CAT | CAM | H11 | 177.3° | 178.5° |
CAT | CAV | CAN | H12 | 178.3° | 178.4° |
CAV | CAT | NAP | H15 | 120.8° | 119.8° |
NAP | CAT | CAV | CAN | 177.2° | 177.3° |
NAP | CAT | CAV | CAS | 5.3° | 4.0° |
CAT | NAP | CAU | H15 | 180.0° | 180.0° |
CAT | NAP | CAU | CAK | 115.3° | 117.5° |
CAT | NAP | CAU | CAW | 60.2° | 60.1° |
NAP | CAT | CAM | H11 | 2.8° | 1.9° |
CAN | CAV | CAS | OAA | 40.8° | 37.3° |
CAN | CAV | CAS | NAX | 143.7° | 142.7° |
CAV | CAS | OAA | NAX | 175.7° | 180.0° |
CAV | CAS | NAX | CAO | 174.7° | 179.0° |
CAV | CAS | NAX | CAW | 0.0° | 1.1° |
CAS | CAV | CAN | H12 | 0.7° | 2.8° |
OAA | CAS | NAX | CAO | 0.8° | 1.0° |
OAA | CAS | NAX | CAW | 175.4° | 178.9° |
NAP | CAU | CAK | CAW | 175.5° | 177.6° |
NAP | CAU | CAW | NAX | 4.2° | 6.1° |
NAP | CAU | CAK | CAF | 177.5° | 177.0° |
NAP | CAU | CAW | CAL | 176.9° | 176.7° |
NAP | CAU | CAK | H9 | 2.5° | 3.0° |
CAS | NAX | CAW | CAU | 37.3° | 40.7° |
CAS | NAX | CAO | CAW | 175.1° | 179.9° |
CAS | NAX | CAO | CAR | 84.4° | 91.2° |
CAS | NAX | CAW | CAL | 143.9° | 142.0° |
CAS | NAX | CAO | H13 | 154.8° | 148.8° |
CAS | NAX | CAO | H14 | 36.3° | 28.7° |
CAK | CAU | CAW | NAX | 179.3° | 176.3° |
CAU | CAK | CAF | H9 | 180.0° | 180.0° |
CAK | CAU | CAW | CAL | 1.8° | 0.9° |
CAU | CAK | CAF | CAG | 1.1° | 0.0° |
CAU | CAK | CAF | H4 | 178.9° | 179.6° |
CAK | CAU | NAP | H15 | 64.8° | 62.5° |
CAU | CAW | NAX | CAO | 137.2° | 139.4° |
CAU | CAW | NAX | CAL | 178.9° | 177.2° |
CAW | CAU | CAK | CAF | 2.0° | 0.6° |
CAU | CAW | CAL | CAG | 0.9° | 0.7° |
CAW | CAU | CAK | H9 | 178.0° | 179.4° |
CAU | CAW | CAL | H10 | 179.1° | 179.3° |
CAW | CAU | NAP | H15 | 119.8° | 119.9° |
NAX | CAO | CAR | H13 | 120.7° | 120.1° |
NAX | CAO | CAR | H14 | 120.8° | 120.0° |
CAO | NAX | CAW | CAL | 41.7° | 37.9° |
NAX | CAO | CAR | CAH | 176.9° | 95.2° |
NAX | CAO | CAR | CAI | 2.9° | 84.4° |
NAX | CAO | H13 | H14 | 117.7° | 120.1° |
CAW | NAX | CAO | CAR | 100.4° | 88.9° |
NAX | CAW | CAL | CAG | 179.8° | 176.7° |
NAX | CAW | CAL | H10 | 0.2° | 3.4° |
CAW | NAX | CAO | H13 | 20.3° | 31.2° |
CAW | NAX | CAO | H14 | 138.8° | 151.2° |
CAO | CAR | CAH | CAI | 179.8° | 179.7° |
CAO | CAR | CAH | CAD | 179.6° | 180.0° |
CAO | CAR | CAI | CAE | 179.5° | 180.0° |
CAO | CAR | CAH | H6 | 0.4° | 0.0° |
CAO | CAR | CAI | H7 | 0.5° | 0.0° |
CAR | CAO | H13 | H14 | 117.7° | 119.9° |
CAK | CAF | CAG | H4 | 180.0° | 179.6° |
CAK | CAF | CAG | CAL | 0.2° | 0.3° |
CAK | CAF | CAG | H5 | 179.8° | 179.6° |
CAW | CAL | CAG | CAF | 0.1° | 0.0° |
CAW | CAL | CAG | H10 | 180.0° | 180.0° |
CAW | CAL | CAG | H5 | 179.9° | 179.9° |
CAR | CAH | CAD | H6 | 180.0° | 180.0° |
CAH | CAR | CAI | CAE | 0.7° | 0.4° |
CAR | CAH | CAD | CAC | 0.6° | 0.1° |
CAR | CAH | CAD | H2 | 179.4° | 180.0° |
CAH | CAR | CAI | H7 | 179.3° | 179.6° |
CAH | CAR | CAO | H13 | 62.4° | 144.7° |
CAH | CAR | CAO | H14 | 56.1° | 24.8° |
CAI | CAR | CAH | CAD | 0.6° | 0.4° |
CAR | CAI | CAE | H7 | 180.0° | 180.0° |
CAR | CAI | CAE | CAC | 0.8° | 0.1° |
CAR | CAI | CAE | H3 | 179.2° | 179.9° |
CAI | CAR | CAH | H6 | 179.4° | 179.7° |
CAI | CAR | CAO | H13 | 117.9° | 35.6° |
CAI | CAR | CAO | H14 | 123.6° | 155.6° |
CAH | CAD | CAC | H2 | 180.0° | 179.9° |
CAH | CAD | CAC | CAE | 0.7° | 0.2° |
CAH | CAD | CAC | H1 | 179.4° | 180.0° |
CAF | CAG | CAL | H5 | 180.0° | 179.9° |
CAG | CAF | CAK | H9 | 178.9° | 180.0° |
CAF | CAG | CAL | H10 | 179.9° | 179.9° |
CAI | CAE | CAC | CAD | 0.8° | 0.3° |
CAI | CAE | CAC | H3 | 180.0° | 180.0° |
CAI | CAE | CAC | H1 | 179.2° | 180.0° |
CAL | CAG | CAF | H4 | 179.8° | 179.3° |
CAD | CAC | CAE | H1 | 180.0° | 179.7° |
CAD | CAC | CAE | H3 | 179.2° | 179.8° |
CAC | CAD | CAH | H6 | 179.4° | 180.0° |
CAE | CAC | CAD | H2 | 179.3° | 179.7° |
CAC | CAE | CAI | H7 | 179.2° | 179.9° |
H1 | CAC | CAD | H2 | 0.7° | 0.1° |
H1 | CAC | CAE | H3 | 0.8° | 0.0° |
H2 | CAD | CAH | H6 | 0.6° | 0.1° |
H3 | CAE | CAI | H7 | 0.8° | 0.1° |
H4 | CAF | CAG | H5 | 0.2° | 0.8° |
H4 | CAF | CAK | H9 | 1.1° | 0.3° |
H5 | CAG | CAL | H10 | 0.1° | 0.0° |
H8 | CAJ | CAM | H11 | 1.3° | 0.1° |