7X9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FAQ | CAB | sing | 1.35Å | 1.32Å | |
OAM | CAG | doub | 1.22Å | 1.23Å | |
CAC | CAB | doub | 1.38Å | 1.39Å | Aromatic |
CAC | CAD | sing | 1.40Å | 1.39Å | Aromatic |
OAO | CAN | doub | 1.22Å | 1.25Å | |
CAB | CAA | sing | 1.39Å | 1.38Å | Aromatic |
CAG | CAD | sing | 1.48Å | 1.40Å | |
CAG | CAH | sing | 1.47Å | 1.40Å | |
CAD | CAE | doub | 1.41Å | 1.39Å | Aromatic |
CAN | CAH | sing | 1.47Å | 1.40Å | |
CAN | OAP | sing | 1.35Å | 1.25Å | |
CAH | CAI | doub | 1.38Å | 1.39Å | |
CAA | CAF | doub | 1.38Å | 1.38Å | Aromatic |
CAE | CAF | sing | 1.39Å | 1.40Å | Aromatic |
CAE | NAJ | sing | 1.38Å | 1.35Å | |
CAF | CAL | sing | 1.51Å | 1.40Å | |
CAI | NAJ | sing | 1.35Å | 1.40Å | |
NAJ | CAK | sing | 1.47Å | 1.48Å | |
CAL | CAR | sing | 1.53Å | 1.53Å | |
CAK | CAR | sing | 1.53Å | 1.52Å | |
CAK | CAS | sing | 1.53Å | 1.53Å | |
OAP | H1 | sing | 0.97Å | 0.95Å | |
CAI | H2 | sing | 1.08Å | 1.08Å | |
CAC | H3 | sing | 1.08Å | 1.08Å | |
CAA | H4 | sing | 1.08Å | 1.08Å | |
CAL | H5 | sing | 1.09Å | 1.10Å | |
CAL | H6 | sing | 1.09Å | 1.10Å | |
CAR | H7 | sing | 1.09Å | 1.10Å | |
CAR | H8 | sing | 1.09Å | 1.10Å | |
CAK | H9 | sing | 1.09Å | 1.10Å | |
CAS | H10 | sing | 1.09Å | 1.10Å | |
CAS | H11 | sing | 1.09Å | 1.10Å | |
CAS | H12 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
FAQ | CAB | CAC | 120.4° | 120.1° |
FAQ | CAB | CAA | 119.2° | 120.0° |
OAM | CAG | CAD | 119.5° | 121.5° |
OAM | CAG | CAH | 121.8° | 121.5° |
CAB | CAC | CAD | 119.9° | 119.8° |
CAC | CAB | CAA | 120.4° | 119.8° |
CAB | CAC | H3 | 120.0° | 120.1° |
CAC | CAD | CAG | 118.9° | 120.3° |
CAC | CAD | CAE | 119.5° | 120.6° |
CAD | CAC | H3 | 120.0° | 120.1° |
OAO | CAN | CAH | 122.2° | 120.0° |
OAO | CAN | OAP | 119.0° | 120.0° |
CAB | CAA | CAF | 120.4° | 120.9° |
CAB | CAA | H4 | 119.8° | 119.6° |
CAD | CAG | CAH | 118.7° | 117.0° |
CAG | CAD | CAE | 121.6° | 119.1° |
CAG | CAH | CAN | 123.7° | 120.6° |
CAG | CAH | CAI | 118.8° | 118.7° |
CAD | CAE | CAF | 120.1° | 118.5° |
CAD | CAE | NAJ | 119.4° | 120.2° |
CAH | CAN | OAP | 118.8° | 120.0° |
CAN | CAH | CAI | 117.5° | 120.7° |
CAN | OAP | H1 | 109.5° | 117.0° |
CAH | CAI | NAJ | 121.0° | 123.0° |
CAH | CAI | H2 | 119.5° | 118.5° |
CAA | CAF | CAE | 119.6° | 120.4° |
CAA | CAF | CAL | 117.0° | 119.0° |
CAF | CAA | H4 | 119.8° | 119.5° |
CAF | CAE | NAJ | 120.4° | 121.4° |
CAE | CAF | CAL | 123.2° | 120.5° |
CAE | NAJ | CAI | 120.4° | 122.1° |
CAE | NAJ | CAK | 121.2° | 120.6° |
CAF | CAL | CAR | 112.2° | 108.7° |
CAF | CAL | H5 | 108.8° | 109.6° |
CAF | CAL | H6 | 108.8° | 109.6° |
CAI | NAJ | CAK | 118.4° | 117.3° |
NAJ | CAI | H2 | 119.5° | 118.5° |
NAJ | CAK | CAR | 113.1° | 109.8° |
NAJ | CAK | CAS | 111.3° | 109.4° |
NAJ | CAK | H9 | 107.6° | 109.4° |
CAL | CAR | CAK | 110.9° | 108.5° |
CAR | CAL | H5 | 108.8° | 109.6° |
CAR | CAL | H6 | 108.8° | 109.6° |
CAL | CAR | H7 | 109.1° | 109.7° |
CAL | CAR | H8 | 109.1° | 109.6° |
CAR | CAK | CAS | 110.5° | 109.4° |
CAK | CAR | H7 | 109.1° | 109.6° |
CAK | CAR | H8 | 109.1° | 109.8° |
CAR | CAK | H9 | 107.1° | 109.4° |
CAS | CAK | H9 | 106.9° | 109.4° |
CAK | CAS | H10 | 109.5° | 109.5° |
CAK | CAS | H11 | 109.5° | 109.5° |
CAK | CAS | H12 | 109.4° | 109.5° |
H5 | CAL | H6 | 109.5° | 109.7° |
H7 | CAR | H8 | 109.5° | 109.6° |
H10 | CAS | H11 | 109.5° | 109.5° |
H10 | CAS | H12 | 109.5° | 109.5° |
H11 | CAS | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
FAQ | CAB | CAC | CAA | 177.9° | 180.0° |
FAQ | CAB | CAC | CAD | 179.1° | 179.9° |
FAQ | CAB | CAA | CAF | 179.4° | 179.6° |
FAQ | CAB | CAC | H3 | 0.9° | 0.1° |
FAQ | CAB | CAA | H4 | 0.6° | 0.1° |
OAM | CAG | CAD | CAC | 1.7° | 0.2° |
OAM | CAG | CAD | CAH | 178.6° | 179.7° |
OAM | CAG | CAD | CAE | 179.3° | 179.9° |
OAM | CAG | CAH | CAN | 1.1° | 0.4° |
OAM | CAG | CAH | CAI | 179.9° | 179.6° |
CAB | CAC | CAD | H3 | 180.0° | 180.0° |
CAB | CAC | CAD | CAG | 180.0° | 179.8° |
CAB | CAC | CAD | CAE | 1.0° | 0.0° |
CAC | CAB | CAA | CAF | 1.4° | 0.4° |
CAC | CAB | CAA | H4 | 178.5° | 179.9° |
CAD | CAC | CAB | CAA | 1.2° | 0.1° |
CAC | CAD | CAG | CAE | 179.0° | 179.7° |
CAC | CAD | CAG | CAH | 179.7° | 179.8° |
CAC | CAD | CAE | CAF | 2.8° | 0.5° |
CAC | CAD | CAE | NAJ | 179.7° | 179.2° |
OAO | CAN | CAH | CAG | 1.8° | 180.0° |
OAO | CAN | CAH | OAP | 179.8° | 180.0° |
OAO | CAN | CAH | CAI | 179.3° | 0.0° |
OAO | CAN | OAP | H1 | 0.0° | 0.0° |
CAB | CAA | CAF | H4 | 180.0° | 179.5° |
CAB | CAA | CAF | CAE | 0.5° | 1.0° |
CAB | CAA | CAF | CAL | 175.3° | 179.6° |
CAA | CAB | CAC | H3 | 178.9° | 179.9° |
CAD | CAG | CAH | CAN | 179.6° | 179.9° |
CAD | CAG | CAH | CAI | 1.6° | 0.1° |
CAG | CAD | CAE | CAF | 178.2° | 179.2° |
CAG | CAD | CAE | NAJ | 0.7° | 1.0° |
CAG | CAD | CAC | H3 | 0.0° | 0.2° |
CAH | CAG | CAD | CAE | 0.8° | 0.4° |
CAG | CAH | CAN | CAI | 178.8° | 180.0° |
CAG | CAH | CAN | OAP | 178.4° | 0.0° |
CAG | CAH | CAI | NAJ | 2.4° | 0.1° |
CAG | CAH | CAI | H2 | 177.6° | 179.9° |
CAD | CAE | CAF | CAA | 2.6° | 1.0° |
CAD | CAE | CAF | NAJ | 177.4° | 179.7° |
CAD | CAE | CAF | CAL | 177.1° | 179.6° |
CAD | CAE | NAJ | CAI | 1.5° | 1.2° |
CAD | CAE | NAJ | CAK | 179.6° | 178.6° |
CAE | CAD | CAC | H3 | 179.0° | 179.9° |
CAN | CAH | CAI | NAJ | 178.7° | 179.9° |
CAH | CAN | OAP | H1 | 179.8° | 180.0° |
CAN | CAH | CAI | H2 | 1.3° | 0.1° |
OAP | CAN | CAH | CAI | 0.5° | 180.0° |
CAH | CAI | NAJ | CAE | 2.4° | 0.8° |
CAH | CAI | NAJ | H2 | 180.0° | 180.0° |
CAH | CAI | NAJ | CAK | 178.7° | 179.1° |
CAA | CAF | CAE | CAL | 174.5° | 179.4° |
CAA | CAF | CAE | NAJ | 180.0° | 178.7° |
CAA | CAF | CAL | CAR | 156.3° | 152.4° |
CAA | CAF | CAL | H5 | 35.9° | 87.8° |
CAA | CAF | CAL | H6 | 83.3° | 32.6° |
CAF | CAE | NAJ | CAI | 179.0° | 179.1° |
CAF | CAE | NAJ | CAK | 2.1° | 1.1° |
CAE | CAF | CAL | CAR | 29.0° | 28.1° |
CAE | CAF | CAA | H4 | 179.6° | 179.5° |
CAE | CAF | CAL | H5 | 149.4° | 91.7° |
CAE | CAF | CAL | H6 | 91.4° | 147.9° |
NAJ | CAE | CAF | CAL | 5.4° | 0.7° |
CAE | NAJ | CAI | CAK | 178.9° | 179.9° |
CAE | NAJ | CAK | CAR | 23.3° | 31.8° |
CAE | NAJ | CAK | CAS | 101.9° | 151.9° |
CAE | NAJ | CAI | H2 | 177.6° | 179.2° |
CAE | NAJ | CAK | H9 | 141.3° | 88.3° |
CAF | CAL | CAR | H5 | 120.4° | 119.8° |
CAF | CAL | CAR | H6 | 120.4° | 119.8° |
CAF | CAL | CAR | CAK | 47.7° | 57.1° |
CAL | CAF | CAA | H4 | 4.7° | 0.1° |
CAF | CAL | H5 | H6 | 118.7° | 120.4° |
CAF | CAL | CAR | H7 | 72.5° | 176.8° |
CAF | CAL | CAR | H8 | 167.9° | 62.7° |
CAI | NAJ | CAK | CAR | 157.8° | 148.4° |
CAI | NAJ | CAK | CAS | 77.1° | 28.2° |
CAI | NAJ | CAK | H9 | 39.8° | 91.6° |
NAJ | CAK | CAR | CAL | 45.0° | 59.6° |
NAJ | CAK | CAR | CAS | 125.6° | 120.1° |
NAJ | CAK | CAR | H9 | 118.3° | 120.0° |
NAJ | CAK | CAS | H9 | 117.2° | 119.9° |
CAK | NAJ | CAI | H2 | 1.3° | 0.9° |
NAJ | CAK | CAR | H7 | 75.2° | 179.3° |
NAJ | CAK | CAR | H8 | 165.3° | 60.2° |
NAJ | CAK | CAS | H10 | 180.0° | 67.2° |
NAJ | CAK | CAS | H11 | 60.0° | 172.7° |
NAJ | CAK | CAS | H12 | 60.0° | 52.7° |
CAL | CAR | CAK | H7 | 120.2° | 119.7° |
CAL | CAR | CAK | H8 | 120.2° | 119.8° |
CAL | CAR | CAK | CAS | 80.5° | 179.7° |
CAR | CAL | H5 | H6 | 118.8° | 120.4° |
CAL | CAR | H7 | H8 | 119.4° | 120.4° |
CAL | CAR | CAK | H9 | 163.3° | 60.4° |
CAR | CAK | CAS | H9 | 116.2° | 119.8° |
CAK | CAR | CAL | H5 | 168.1° | 62.7° |
CAK | CAR | CAL | H6 | 72.7° | 176.9° |
CAK | CAR | H7 | H8 | 119.3° | 120.6° |
CAR | CAK | CAS | H10 | 53.5° | 172.4° |
CAR | CAK | CAS | H11 | 66.6° | 52.4° |
CAR | CAK | CAS | H12 | 173.5° | 67.6° |
CAS | CAK | CAR | H7 | 159.2° | 60.5° |
CAS | CAK | CAR | H8 | 39.7° | 59.9° |
CAK | CAS | H10 | H11 | 120.0° | 120.0° |
CAK | CAS | H10 | H12 | 120.0° | 120.0° |
CAK | CAS | H11 | H12 | 119.9° | 120.0° |
H5 | CAL | CAR | H7 | 47.9° | 57.0° |
H5 | CAL | CAR | H8 | 71.7° | 177.4° |
H6 | CAL | CAR | H7 | 167.1° | 63.4° |
H6 | CAL | CAR | H8 | 47.5° | 57.0° |
H7 | CAR | CAK | H9 | 43.1° | 59.3° |
H8 | CAR | CAK | H9 | 76.4° | 179.8° |
H9 | CAK | CAS | H10 | 62.7° | 52.6° |
H9 | CAK | CAS | H11 | 177.2° | 67.4° |
H9 | CAK | CAS | H12 | 57.2° | 172.6° |
H10 | CAS | H11 | H12 | 120.0° | 120.0° |