6J6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAT | CAR | sing | 1.36Å | 1.32Å | |
OAO | CAM | doub | 1.21Å | 1.21Å | |
CAS | CAR | doub | 1.38Å | 1.40Å | Aromatic |
CAS | CAL | sing | 1.40Å | 1.38Å | Aromatic |
CAR | CAQ | sing | 1.39Å | 1.37Å | Aromatic |
CAM | CAL | sing | 1.47Å | 1.42Å | |
CAM | CAN | sing | 1.52Å | 1.43Å | |
CAL | CAK | doub | 1.40Å | 1.39Å | Aromatic |
CAQ | CAP | doub | 1.38Å | 1.37Å | Aromatic |
CAN | CAI | sing | 1.54Å | 1.55Å | |
CAK | CAP | sing | 1.39Å | 1.38Å | Aromatic |
CAK | OAJ | sing | 1.35Å | 1.32Å | |
OAJ | CAI | sing | 1.43Å | 1.43Å | |
CAI | CAC | sing | 1.51Å | 1.39Å | |
CAB | CAC | doub | 1.38Å | 1.38Å | Aromatic |
CAB | CAA | sing | 1.38Å | 1.39Å | Aromatic |
CAC | CAD | sing | 1.38Å | 1.35Å | Aromatic |
CAA | CAF | doub | 1.39Å | 1.39Å | Aromatic |
CAD | CAE | doub | 1.39Å | 1.38Å | Aromatic |
CAF | CAE | sing | 1.39Å | 1.40Å | Aromatic |
CAF | OAG | sing | 1.36Å | 1.34Å | |
CAE | OAH | sing | 1.36Å | 1.34Å | |
CAN | H1 | sing | 1.09Å | 1.10Å | |
CAN | H2 | sing | 1.09Å | 1.10Å | |
CAS | H3 | sing | 1.08Å | 1.08Å | |
OAT | H4 | sing | 0.97Å | 0.95Å | |
CAQ | H5 | sing | 1.08Å | 1.08Å | |
CAP | H6 | sing | 1.08Å | 1.08Å | |
CAI | H7 | sing | 1.09Å | 1.10Å | |
CAD | H8 | sing | 1.08Å | 1.08Å | |
OAH | H9 | sing | 0.97Å | 0.95Å | |
OAG | H10 | sing | 0.97Å | 0.95Å | |
CAA | H11 | sing | 1.08Å | 1.08Å | |
CAB | H12 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAT | CAR | CAS | 122.7° | 119.9° |
OAT | CAR | CAQ | 116.4° | 120.0° |
CAR | OAT | H4 | 109.5° | 114.0° |
OAO | CAM | CAL | 120.0° | 121.7° |
OAO | CAM | CAN | 118.4° | 121.7° |
CAR | CAS | CAL | 120.8° | 119.6° |
CAS | CAR | CAQ | 120.9° | 120.1° |
CAR | CAS | H3 | 119.6° | 120.3° |
CAS | CAL | CAM | 124.2° | 120.7° |
CAS | CAL | CAK | 117.0° | 120.3° |
CAL | CAS | H3 | 119.6° | 120.2° |
CAR | CAQ | CAP | 118.6° | 120.7° |
CAR | CAQ | H5 | 120.7° | 119.7° |
CAL | CAM | CAN | 121.5° | 116.5° |
CAM | CAL | CAK | 118.6° | 119.0° |
CAM | CAN | CAI | 110.8° | 107.2° |
CAM | CAN | H1 | 109.1° | 110.0° |
CAM | CAN | H2 | 109.2° | 110.0° |
CAL | CAK | CAP | 121.7° | 119.3° |
CAL | CAK | OAJ | 118.1° | 120.8° |
CAQ | CAP | CAK | 120.9° | 120.2° |
CAP | CAQ | H5 | 120.7° | 119.7° |
CAQ | CAP | H6 | 119.6° | 119.9° |
CAN | CAI | OAJ | 106.4° | 109.4° |
CAN | CAI | CAC | 117.4° | 109.5° |
CAI | CAN | H1 | 109.1° | 109.9° |
CAI | CAN | H2 | 109.1° | 109.9° |
CAN | CAI | H7 | 105.7° | 109.5° |
CAP | CAK | OAJ | 120.2° | 119.9° |
CAK | CAP | H6 | 119.5° | 119.9° |
CAK | OAJ | CAI | 123.1° | 118.7° |
OAJ | CAI | CAC | 112.1° | 109.5° |
OAJ | CAI | H7 | 107.1° | 109.5° |
CAI | CAC | CAB | 123.8° | 120.0° |
CAI | CAC | CAD | 119.3° | 119.9° |
CAC | CAI | H7 | 107.6° | 109.5° |
CAC | CAB | CAA | 122.9° | 120.2° |
CAB | CAC | CAD | 116.8° | 120.1° |
CAC | CAB | H12 | 118.5° | 119.9° |
CAB | CAA | CAF | 119.2° | 120.0° |
CAB | CAA | H11 | 120.4° | 120.0° |
CAA | CAB | H12 | 118.5° | 119.9° |
CAC | CAD | CAE | 122.4° | 120.0° |
CAC | CAD | H8 | 118.8° | 120.0° |
CAA | CAF | CAE | 117.9° | 119.9° |
CAA | CAF | OAG | 122.5° | 120.1° |
CAF | CAA | H11 | 120.4° | 120.0° |
CAD | CAE | CAF | 120.7° | 119.9° |
CAD | CAE | OAH | 120.1° | 120.0° |
CAE | CAD | H8 | 118.8° | 120.1° |
CAE | CAF | OAG | 119.6° | 120.0° |
CAF | CAE | OAH | 119.2° | 120.1° |
CAF | OAG | H10 | 109.5° | 114.0° |
CAE | OAH | H9 | 109.5° | 114.0° |
H1 | CAN | H2 | 109.5° | 109.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAT | CAR | CAS | CAQ | 179.5° | 179.9° |
OAT | CAR | CAS | CAL | 179.0° | 180.0° |
OAT | CAR | CAQ | CAP | 179.7° | 179.8° |
OAT | CAR | CAS | H3 | 1.1° | 0.1° |
OAT | CAR | CAQ | H5 | 0.3° | 0.2° |
OAO | CAM | CAL | CAS | 3.6° | 12.0° |
OAO | CAM | CAL | CAN | 179.5° | 180.0° |
OAO | CAM | CAL | CAK | 171.9° | 167.9° |
OAO | CAM | CAN | CAI | 148.5° | 140.0° |
OAO | CAM | CAN | H1 | 91.3° | 100.6° |
OAO | CAM | CAN | H2 | 28.3° | 20.5° |
CAR | CAS | CAL | H3 | 180.0° | 179.9° |
CAR | CAS | CAL | CAM | 178.4° | 179.7° |
CAR | CAS | CAL | CAK | 2.8° | 0.3° |
CAS | CAR | CAQ | CAP | 0.8° | 0.1° |
CAS | CAR | OAT | H4 | 180.0° | 90.0° |
CAS | CAR | CAQ | H5 | 179.2° | 179.9° |
CAL | CAS | CAR | CAQ | 0.5° | 0.0° |
CAS | CAL | CAM | CAK | 175.5° | 180.0° |
CAS | CAL | CAM | CAN | 176.9° | 167.9° |
CAS | CAL | CAK | CAP | 4.0° | 0.5° |
CAS | CAL | CAK | OAJ | 179.2° | 179.3° |
CAR | CAQ | CAP | H5 | 180.0° | 180.0° |
CAR | CAQ | CAP | CAK | 0.3° | 0.0° |
CAQ | CAR | CAS | H3 | 179.5° | 179.9° |
CAQ | CAR | OAT | H4 | 0.5° | 89.9° |
CAR | CAQ | CAP | H6 | 179.7° | 179.9° |
CAL | CAM | CAN | CAI | 31.0° | 40.0° |
CAM | CAL | CAK | CAP | 179.8° | 179.5° |
CAM | CAL | CAK | OAJ | 3.3° | 0.7° |
CAL | CAM | CAN | H1 | 89.2° | 79.4° |
CAL | CAM | CAN | H2 | 151.2° | 159.5° |
CAM | CAL | CAS | H3 | 1.6° | 0.2° |
CAN | CAM | CAL | CAK | 7.6° | 12.1° |
CAM | CAN | CAI | H1 | 120.2° | 119.4° |
CAM | CAN | CAI | H2 | 120.2° | 119.5° |
CAM | CAN | CAI | OAJ | 47.8° | 58.7° |
CAM | CAN | CAI | CAC | 174.2° | 178.7° |
CAM | CAN | H1 | H2 | 119.4° | 121.2° |
CAM | CAN | CAI | H7 | 65.8° | 61.3° |
CAL | CAK | CAP | CAQ | 2.8° | 0.3° |
CAL | CAK | CAP | OAJ | 176.8° | 179.7° |
CAL | CAK | OAJ | CAI | 28.4° | 22.6° |
CAK | CAL | CAS | H3 | 177.1° | 179.8° |
CAL | CAK | CAP | H6 | 177.2° | 179.6° |
CAQ | CAP | CAK | H6 | 180.0° | 179.9° |
CAQ | CAP | CAK | OAJ | 179.6° | 179.4° |
CAN | CAI | OAJ | CAK | 50.3° | 52.7° |
CAN | CAI | OAJ | CAC | 129.6° | 120.0° |
CAN | CAI | OAJ | H7 | 112.7° | 120.0° |
CAN | CAI | CAC | H7 | 118.9° | 120.0° |
CAN | CAI | CAC | CAB | 71.3° | 80.3° |
CAN | CAI | CAC | CAD | 111.7° | 100.0° |
CAI | CAN | H1 | H2 | 119.4° | 121.1° |
CAP | CAK | OAJ | CAI | 154.7° | 157.7° |
CAK | CAP | CAQ | H5 | 179.7° | 180.0° |
CAK | OAJ | CAI | CAC | 179.9° | 172.6° |
OAJ | CAK | CAP | H6 | 0.4° | 0.6° |
CAK | OAJ | CAI | H7 | 62.4° | 67.3° |
OAJ | CAI | CAC | H7 | 117.5° | 120.1° |
OAJ | CAI | CAC | CAB | 52.4° | 39.6° |
OAJ | CAI | CAC | CAD | 124.7° | 140.1° |
OAJ | CAI | CAN | H1 | 72.4° | 60.7° |
OAJ | CAI | CAN | H2 | 168.0° | 178.2° |
CAI | CAC | CAB | CAD | 177.1° | 179.7° |
CAI | CAC | CAB | CAA | 177.8° | 179.8° |
CAI | CAC | CAD | CAE | 178.9° | 180.0° |
CAC | CAI | CAN | H1 | 54.0° | 59.2° |
CAC | CAI | CAN | H2 | 65.6° | 61.9° |
CAI | CAC | CAD | H8 | 1.1° | 0.1° |
CAI | CAC | CAB | H12 | 2.2° | 0.0° |
CAC | CAB | CAA | H12 | 180.0° | 179.8° |
CAC | CAB | CAA | CAF | 0.4° | 0.5° |
CAB | CAC | CAD | CAE | 1.6° | 0.2° |
CAB | CAC | CAI | H7 | 169.8° | 159.7° |
CAB | CAC | CAD | H8 | 178.3° | 179.8° |
CAC | CAB | CAA | H11 | 179.6° | 179.7° |
CAA | CAB | CAC | CAD | 0.7° | 0.5° |
CAB | CAA | CAF | H11 | 180.0° | 179.8° |
CAB | CAA | CAF | CAE | 0.6° | 0.2° |
CAB | CAA | CAF | OAG | 180.0° | 179.7° |
CAC | CAD | CAE | H8 | 180.0° | 180.0° |
CAC | CAD | CAE | CAF | 1.5° | 0.0° |
CAC | CAD | CAE | OAH | 178.7° | 180.0° |
CAD | CAC | CAI | H7 | 7.2° | 20.0° |
CAD | CAC | CAB | H12 | 179.3° | 179.7° |
CAA | CAF | CAE | CAD | 0.4° | 0.0° |
CAA | CAF | CAE | OAG | 179.5° | 179.9° |
CAA | CAF | CAE | OAH | 179.8° | 180.0° |
CAA | CAF | OAG | H10 | 180.0° | 89.9° |
CAF | CAA | CAB | H12 | 179.6° | 179.7° |
CAD | CAE | CAF | OAH | 179.8° | 180.0° |
CAD | CAE | CAF | OAG | 179.1° | 180.0° |
CAD | CAE | OAH | H9 | 180.0° | 90.0° |
CAF | CAE | CAD | H8 | 178.4° | 180.0° |
CAF | CAE | OAH | H9 | 0.2° | 90.0° |
CAE | CAF | OAG | H10 | 0.5° | 90.0° |
CAE | CAF | CAA | H11 | 179.4° | 180.0° |
OAG | CAF | CAE | OAH | 0.7° | 0.0° |
OAG | CAF | CAA | H11 | 0.0° | 0.1° |
OAH | CAE | CAD | H8 | 1.4° | 0.0° |
H1 | CAN | CAI | H7 | 174.0° | 179.3° |
H2 | CAN | CAI | H7 | 54.4° | 58.2° |
H5 | CAQ | CAP | H6 | 0.3° | 0.1° |
H11 | CAA | CAB | H12 | 0.4° | 0.1° |