C7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAB | CAC | doub | 1.38Å | 1.38Å | Aromatic |
CAB | CAA | sing | 1.38Å | 1.39Å | Aromatic |
CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
CAA | CAF | doub | 1.39Å | 1.41Å | Aromatic |
CAD | CAE | doub | 1.38Å | 1.41Å | Aromatic |
CAE | CAF | sing | 1.39Å | 1.42Å | Aromatic |
CAE | CAG | sing | 1.51Å | 1.50Å | |
CAF | NAM | sing | 1.40Å | 1.38Å | |
OAP | CAN | doub | 1.22Å | 1.22Å | |
NAM | CAN | sing | 1.35Å | 1.35Å | |
CAG | CAH | sing | 1.53Å | 1.53Å | |
CAH | CAI | sing | 1.51Å | 1.53Å | |
CAN | CAO | sing | 1.48Å | 1.51Å | |
CAI | NAJ | sing | 1.35Å | 1.32Å | |
CAI | OAK | doub | 1.21Å | 1.22Å | |
NAJ | OAL | sing | 1.42Å | 1.39Å | |
CAO | CAQ | doub | 1.40Å | 1.41Å | Aromatic |
CAO | CAU | sing | 1.40Å | 1.40Å | Aromatic |
CAQ | CAR | sing | 1.38Å | 1.40Å | Aromatic |
FAY | CAV | sing | 1.40Å | 1.33Å | |
CAU | CAT | doub | 1.38Å | 1.40Å | Aromatic |
CAR | CAV | sing | 1.51Å | 1.51Å | |
CAR | CAS | doub | 1.38Å | 1.39Å | Aromatic |
CAV | FAX | sing | 1.40Å | 1.32Å | |
CAV | FAW | sing | 1.40Å | 1.32Å | |
CAT | CAS | sing | 1.38Å | 1.38Å | Aromatic |
NAJ | H1 | sing | 0.97Å | 1.00Å | |
OAL | H2 | sing | 0.97Å | 0.95Å | |
CAH | H3 | sing | 1.09Å | 1.10Å | |
CAH | H4 | sing | 1.09Å | 1.10Å | |
CAG | H5 | sing | 1.09Å | 1.10Å | |
CAG | H6 | sing | 1.09Å | 1.10Å | |
CAD | H7 | sing | 1.08Å | 1.08Å | |
CAC | H8 | sing | 1.08Å | 1.08Å | |
CAB | H9 | sing | 1.08Å | 1.08Å | |
CAA | H10 | sing | 1.08Å | 1.08Å | |
NAM | H11 | sing | 0.97Å | 1.00Å | |
CAQ | H12 | sing | 1.08Å | 1.08Å | |
CAU | H13 | sing | 1.08Å | 1.08Å | |
CAT | H14 | sing | 1.08Å | 1.08Å | |
CAS | H15 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAC | CAB | CAA | 119.4° | 120.0° |
CAB | CAC | CAD | 120.1° | 120.2° |
CAB | CAC | H8 | 119.9° | 119.9° |
CAC | CAB | H9 | 120.3° | 120.0° |
CAB | CAA | CAF | 122.1° | 120.0° |
CAA | CAB | H9 | 120.3° | 120.0° |
CAB | CAA | H10 | 119.0° | 120.0° |
CAC | CAD | CAE | 121.5° | 120.1° |
CAC | CAD | H7 | 119.3° | 119.9° |
CAD | CAC | H8 | 120.0° | 119.9° |
CAA | CAF | CAE | 118.0° | 119.8° |
CAA | CAF | NAM | 122.0° | 120.1° |
CAF | CAA | H10 | 118.9° | 120.0° |
CAD | CAE | CAF | 118.9° | 119.9° |
CAD | CAE | CAG | 120.0° | 120.0° |
CAE | CAD | H7 | 119.2° | 120.0° |
CAF | CAE | CAG | 121.1° | 120.0° |
CAE | CAF | NAM | 120.0° | 120.1° |
CAE | CAG | CAH | 125.3° | 109.5° |
CAE | CAG | H5 | 105.4° | 109.5° |
CAE | CAG | H6 | 105.4° | 109.5° |
CAF | NAM | CAN | 129.1° | 120.0° |
CAF | NAM | H11 | 115.5° | 120.0° |
OAP | CAN | NAM | 122.6° | 120.0° |
OAP | CAN | CAO | 115.1° | 120.0° |
NAM | CAN | CAO | 122.3° | 120.0° |
CAN | NAM | H11 | 115.4° | 120.0° |
CAG | CAH | CAI | 119.1° | 109.5° |
CAG | CAH | H3 | 107.0° | 109.5° |
CAG | CAH | H4 | 107.0° | 109.4° |
CAH | CAG | H5 | 105.4° | 109.5° |
CAH | CAG | H6 | 105.4° | 109.4° |
CAH | CAI | NAJ | 113.5° | 120.0° |
CAH | CAI | OAK | 126.8° | 120.0° |
CAI | CAH | H3 | 107.0° | 109.5° |
CAI | CAH | H4 | 107.0° | 109.5° |
CAN | CAO | CAQ | 119.1° | 120.1° |
CAN | CAO | CAU | 122.4° | 120.2° |
NAJ | CAI | OAK | 119.7° | 120.0° |
CAI | NAJ | OAL | 119.2° | 120.0° |
CAI | NAJ | H1 | 120.4° | 120.0° |
OAL | NAJ | H1 | 120.4° | 120.0° |
NAJ | OAL | H2 | 109.5° | 114.0° |
CAQ | CAO | CAU | 118.5° | 119.7° |
CAO | CAQ | CAR | 121.5° | 119.8° |
CAO | CAQ | H12 | 119.2° | 120.1° |
CAO | CAU | CAT | 119.3° | 119.9° |
CAO | CAU | H13 | 120.3° | 120.1° |
CAQ | CAR | CAV | 122.4° | 119.9° |
CAQ | CAR | CAS | 119.1° | 120.2° |
CAR | CAQ | H12 | 119.2° | 120.1° |
FAY | CAV | CAR | 112.3° | 109.5° |
FAY | CAV | FAX | 109.2° | 109.5° |
FAY | CAV | FAW | 108.6° | 109.4° |
CAU | CAT | CAS | 122.0° | 120.2° |
CAT | CAU | H13 | 120.4° | 120.1° |
CAU | CAT | H14 | 119.0° | 120.0° |
CAV | CAR | CAS | 118.5° | 119.9° |
CAR | CAV | FAX | 107.9° | 109.5° |
CAR | CAV | FAW | 109.3° | 109.5° |
CAR | CAS | CAT | 119.5° | 120.3° |
CAR | CAS | H15 | 120.2° | 119.9° |
FAX | CAV | FAW | 109.6° | 109.5° |
CAS | CAT | H14 | 119.0° | 119.9° |
CAT | CAS | H15 | 120.3° | 119.9° |
H3 | CAH | H4 | 109.5° | 109.5° |
H5 | CAG | H6 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAC | CAB | CAA | H9 | 180.0° | 180.0° |
CAB | CAC | CAD | H8 | 180.0° | 180.0° |
CAC | CAB | CAA | CAF | 0.1° | 0.1° |
CAB | CAC | CAD | CAE | 0.1° | 0.0° |
CAB | CAC | CAD | H7 | 179.8° | 179.9° |
CAC | CAB | CAA | H10 | 179.9° | 180.0° |
CAA | CAB | CAC | CAD | 0.0° | 0.1° |
CAB | CAA | CAF | H10 | 180.0° | 179.9° |
CAB | CAA | CAF | CAE | 0.1° | 0.1° |
CAB | CAA | CAF | NAM | 180.0° | 179.7° |
CAA | CAB | CAC | H8 | 180.0° | 180.0° |
CAC | CAD | CAE | H7 | 180.0° | 179.9° |
CAC | CAD | CAE | CAF | 0.1° | 0.0° |
CAC | CAD | CAE | CAG | 179.1° | 179.8° |
CAD | CAC | CAB | H9 | 180.0° | 180.0° |
CAA | CAF | CAE | CAD | 0.0° | 0.0° |
CAA | CAF | CAE | NAM | 179.8° | 179.8° |
CAA | CAF | CAE | CAG | 179.0° | 179.8° |
CAA | CAF | NAM | CAN | 0.1° | 24.9° |
CAF | CAA | CAB | H9 | 179.9° | 179.9° |
CAA | CAF | NAM | H11 | 179.9° | 155.1° |
CAD | CAE | CAF | CAG | 179.0° | 179.8° |
CAD | CAE | CAF | NAM | 179.9° | 179.8° |
CAD | CAE | CAG | CAH | 2.2° | 94.7° |
CAD | CAE | CAG | H5 | 124.3° | 145.2° |
CAD | CAE | CAG | H6 | 120.0° | 25.2° |
CAE | CAD | CAC | H8 | 179.9° | 180.0° |
CAE | CAF | NAM | CAN | 179.9° | 154.9° |
CAF | CAE | CAG | CAH | 178.8° | 85.0° |
CAF | CAE | CAG | H5 | 56.6° | 35.0° |
CAF | CAE | CAG | H6 | 59.1° | 155.0° |
CAF | CAE | CAD | H7 | 179.9° | 179.9° |
CAE | CAF | CAA | H10 | 179.8° | 180.0° |
CAE | CAF | NAM | H11 | 0.1° | 25.1° |
CAG | CAE | CAF | NAM | 0.9° | 0.0° |
CAE | CAG | CAH | H5 | 122.1° | 120.1° |
CAE | CAG | CAH | H6 | 122.2° | 120.0° |
CAE | CAG | CAH | CAI | 112.3° | 180.0° |
CAE | CAG | CAH | H3 | 9.0° | 60.0° |
CAE | CAG | CAH | H4 | 126.3° | 60.0° |
CAE | CAG | H5 | H6 | 112.9° | 120.0° |
CAG | CAE | CAD | H7 | 0.8° | 0.3° |
CAF | NAM | CAN | OAP | 0.1° | 5.5° |
CAF | NAM | CAN | H11 | 180.0° | 180.0° |
CAF | NAM | CAN | CAO | 179.9° | 174.5° |
NAM | CAF | CAA | H10 | 0.0° | 0.2° |
OAP | CAN | NAM | CAO | 180.0° | 180.0° |
OAP | CAN | CAO | CAQ | 0.1° | 0.1° |
OAP | CAN | CAO | CAU | 179.9° | 179.7° |
OAP | CAN | NAM | H11 | 179.9° | 174.5° |
NAM | CAN | CAO | CAQ | 179.9° | 180.0° |
NAM | CAN | CAO | CAU | 0.1° | 0.3° |
CAG | CAH | CAI | H3 | 121.4° | 120.0° |
CAG | CAH | CAI | H4 | 121.4° | 120.0° |
CAG | CAH | CAI | NAJ | 179.9° | 180.0° |
CAG | CAH | CAI | OAK | 0.7° | 0.3° |
CAG | CAH | H3 | H4 | 115.6° | 120.0° |
CAH | CAG | H5 | H6 | 112.9° | 119.9° |
CAH | CAI | NAJ | OAK | 179.3° | 179.7° |
CAH | CAI | NAJ | OAL | 179.5° | 179.7° |
CAH | CAI | NAJ | H1 | 0.5° | 0.2° |
CAI | CAH | H3 | H4 | 115.6° | 120.0° |
CAI | CAH | CAG | H5 | 125.5° | 59.9° |
CAI | CAH | CAG | H6 | 9.8° | 60.0° |
CAN | CAO | CAQ | CAU | 179.8° | 179.6° |
CAN | CAO | CAQ | CAR | 179.9° | 180.0° |
CAN | CAO | CAU | CAT | 179.9° | 180.0° |
CAO | CAN | NAM | H11 | 0.1° | 5.5° |
CAN | CAO | CAQ | H12 | 0.1° | 0.1° |
CAN | CAO | CAU | H13 | 0.1° | 0.0° |
CAI | NAJ | OAL | H1 | 180.0° | 180.0° |
CAI | NAJ | OAL | H2 | 0.1° | 180.0° |
NAJ | CAI | CAH | H3 | 58.8° | 60.0° |
NAJ | CAI | CAH | H4 | 58.5° | 60.0° |
OAK | CAI | NAJ | OAL | 0.3° | 0.0° |
OAK | CAI | NAJ | H1 | 179.7° | 180.0° |
OAK | CAI | CAH | H3 | 122.0° | 120.3° |
OAK | CAI | CAH | H4 | 120.7° | 119.7° |
CAO | CAQ | CAR | H12 | 180.0° | 179.9° |
CAQ | CAO | CAU | CAT | 0.1° | 0.4° |
CAO | CAQ | CAR | CAV | 179.8° | 180.0° |
CAO | CAQ | CAR | CAS | 0.3° | 0.1° |
CAQ | CAO | CAU | H13 | 179.9° | 179.7° |
CAU | CAO | CAQ | CAR | 0.1° | 0.4° |
CAO | CAU | CAT | H13 | 180.0° | 179.9° |
CAO | CAU | CAT | CAS | 0.2° | 0.1° |
CAU | CAO | CAQ | H12 | 180.0° | 179.7° |
CAO | CAU | CAT | H14 | 179.8° | 180.0° |
CAQ | CAR | CAV | FAY | 10.8° | 150.0° |
CAQ | CAR | CAV | CAS | 179.5° | 179.9° |
CAQ | CAR | CAV | FAX | 109.6° | 90.0° |
CAQ | CAR | CAV | FAW | 131.4° | 30.1° |
CAQ | CAR | CAS | CAT | 0.5° | 0.2° |
CAQ | CAR | CAS | H15 | 179.5° | 180.0° |
FAY | CAV | CAR | FAX | 120.4° | 120.0° |
FAY | CAV | CAR | FAW | 120.6° | 119.9° |
FAY | CAV | CAR | CAS | 169.7° | 30.1° |
FAY | CAV | FAX | FAW | 118.8° | 119.9° |
CAU | CAT | CAS | CAR | 0.5° | 0.2° |
CAU | CAT | CAS | H14 | 180.0° | 179.9° |
CAU | CAT | CAS | H15 | 179.5° | 180.0° |
CAR | CAV | FAX | FAW | 118.9° | 120.0° |
CAV | CAR | CAS | CAT | 180.0° | 179.7° |
CAV | CAR | CAQ | H12 | 0.2° | 0.1° |
CAV | CAR | CAS | H15 | 0.0° | 0.1° |
CAS | CAR | CAV | FAX | 69.9° | 90.0° |
CAS | CAR | CAV | FAW | 49.1° | 150.0° |
CAR | CAS | CAT | H15 | 180.0° | 179.8° |
CAS | CAR | CAQ | H12 | 179.7° | 180.0° |
CAR | CAS | CAT | H14 | 179.5° | 179.7° |
CAS | CAT | CAU | H13 | 179.8° | 180.0° |
H1 | NAJ | OAL | H2 | 179.9° | 0.1° |
H3 | CAH | CAG | H5 | 113.1° | 179.9° |
H3 | CAH | CAG | H6 | 131.2° | 60.0° |
H4 | CAH | CAG | H5 | 4.2° | 60.1° |
H4 | CAH | CAG | H6 | 111.5° | 180.0° |
H7 | CAD | CAC | H8 | 0.1° | 0.1° |
H8 | CAC | CAB | H9 | 0.0° | 0.0° |
H9 | CAB | CAA | H10 | 0.1° | 0.0° |
H13 | CAU | CAT | H14 | 0.2° | 0.0° |
H14 | CAT | CAS | H15 | 0.5° | 0.0° |