8P9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAJ | CAI | sing | 1.51Å | 1.52Å | |
CAI | NAH | doub | 1.30Å | 1.33Å | Aromatic |
CAI | CAE | sing | 1.47Å | 1.33Å | Aromatic |
NAH | OAG | sing | 1.41Å | 1.49Å | Aromatic |
CAE | CAF | doub | 1.40Å | 1.36Å | Aromatic |
CAE | CAD | sing | 1.41Å | 1.37Å | Aromatic |
CAF | CAA | sing | 1.38Å | 1.41Å | Aromatic |
OAG | CAD | sing | 1.35Å | 1.38Å | Aromatic |
CAD | CAC | doub | 1.39Å | 1.33Å | Aromatic |
OAO | SAN | doub | 1.42Å | 1.48Å | |
CAA | NAK | sing | 1.40Å | 1.37Å | |
CAA | CAB | doub | 1.40Å | 1.40Å | Aromatic |
NAK | SAN | sing | 1.66Å | 1.68Å | |
CAC | CAB | sing | 1.38Å | 1.40Å | Aromatic |
CAB | OAL | sing | 1.36Å | 1.37Å | |
SAN | OAP | doub | 1.42Å | 1.48Å | |
SAN | CAQ | sing | 1.76Å | 1.73Å | |
OAL | CAM | sing | 1.43Å | 1.45Å | |
CAQ | CAV | sing | 1.38Å | 1.39Å | Aromatic |
CAQ | CAR | doub | 1.39Å | 1.39Å | Aromatic |
CAV | CAU | doub | 1.38Å | 1.37Å | Aromatic |
OAW | CAR | sing | 1.36Å | 1.37Å | |
OAW | CAX | sing | 1.43Å | 1.44Å | |
CAR | CAS | sing | 1.39Å | 1.40Å | Aromatic |
CAU | CLAY | sing | 1.74Å | 1.69Å | |
CAU | CAT | sing | 1.38Å | 1.38Å | Aromatic |
CAS | CAT | doub | 1.38Å | 1.38Å | Aromatic |
CAM | H1 | sing | 1.09Å | 1.10Å | |
CAM | H2 | sing | 1.09Å | 1.10Å | |
CAM | H3 | sing | 1.09Å | 1.10Å | |
CAC | H4 | sing | 1.08Å | 1.08Å | |
CAJ | H5 | sing | 1.09Å | 1.10Å | |
CAJ | H6 | sing | 1.09Å | 1.10Å | |
CAJ | H7 | sing | 1.09Å | 1.10Å | |
CAF | H8 | sing | 1.08Å | 1.08Å | |
NAK | H9 | sing | 0.97Å | 1.00Å | |
CAV | H10 | sing | 1.08Å | 1.08Å | |
CAT | H11 | sing | 1.08Å | 1.08Å | |
CAS | H12 | sing | 1.08Å | 1.08Å | |
CAX | H13 | sing | 1.09Å | 1.10Å | |
CAX | H14 | sing | 1.09Å | 1.10Å | |
CAX | H15 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAJ | CAI | NAH | 122.0° | 126.2° |
CAJ | CAI | CAE | 126.2° | 126.3° |
CAI | CAJ | H5 | 109.5° | 109.5° |
CAI | CAJ | H6 | 109.5° | 109.5° |
CAI | CAJ | H7 | 109.5° | 109.5° |
NAH | CAI | CAE | 111.8° | 107.5° |
CAI | NAH | OAG | 106.3° | 109.7° |
CAI | CAE | CAF | 131.8° | 133.5° |
CAI | CAE | CAD | 108.4° | 106.4° |
NAH | OAG | CAD | 103.6° | 109.4° |
CAF | CAE | CAD | 119.8° | 120.0° |
CAE | CAF | CAA | 119.5° | 119.6° |
CAE | CAF | H8 | 120.3° | 120.1° |
CAE | CAD | OAG | 110.0° | 107.1° |
CAE | CAD | CAC | 123.2° | 119.7° |
CAF | CAA | NAK | 125.2° | 119.9° |
CAF | CAA | CAB | 118.9° | 120.2° |
CAA | CAF | H8 | 120.3° | 120.2° |
OAG | CAD | CAC | 126.8° | 133.2° |
CAD | CAC | CAB | 118.8° | 120.0° |
CAD | CAC | H4 | 120.6° | 120.0° |
OAO | SAN | NAK | 107.1° | 106.4° |
OAO | SAN | OAP | 116.0° | 123.2° |
OAO | SAN | CAQ | 107.8° | 106.4° |
NAK | CAA | CAB | 115.8° | 119.9° |
CAA | NAK | SAN | 120.6° | 120.0° |
CAA | NAK | H9 | 106.6° | 120.0° |
CAA | CAB | CAC | 119.6° | 120.5° |
CAA | CAB | OAL | 115.2° | 119.8° |
NAK | SAN | OAP | 109.4° | 106.4° |
NAK | SAN | CAQ | 106.8° | 107.2° |
SAN | NAK | H9 | 106.6° | 119.9° |
CAC | CAB | OAL | 125.1° | 119.8° |
CAB | CAC | H4 | 120.6° | 120.0° |
CAB | OAL | CAM | 118.0° | 117.0° |
OAP | SAN | CAQ | 109.4° | 106.4° |
SAN | CAQ | CAV | 118.8° | 120.0° |
SAN | CAQ | CAR | 121.1° | 120.0° |
OAL | CAM | H1 | 109.5° | 109.5° |
OAL | CAM | H2 | 109.5° | 109.5° |
OAL | CAM | H3 | 109.4° | 109.5° |
CAV | CAQ | CAR | 120.2° | 119.9° |
CAQ | CAV | CAU | 119.6° | 120.1° |
CAQ | CAV | H10 | 120.2° | 120.0° |
CAQ | CAR | OAW | 116.9° | 120.0° |
CAQ | CAR | CAS | 119.5° | 119.9° |
CAV | CAU | CLAY | 118.9° | 120.0° |
CAV | CAU | CAT | 121.4° | 120.1° |
CAU | CAV | H10 | 120.2° | 119.9° |
CAR | OAW | CAX | 119.7° | 117.0° |
OAW | CAR | CAS | 123.6° | 120.0° |
OAW | CAX | H13 | 109.5° | 109.5° |
OAW | CAX | H14 | 109.5° | 109.4° |
OAW | CAX | H15 | 109.5° | 109.5° |
CAR | CAS | CAT | 119.9° | 120.0° |
CAR | CAS | H12 | 120.1° | 120.0° |
CLAY | CAU | CAT | 119.6° | 120.0° |
CAU | CAT | CAS | 119.5° | 120.0° |
CAU | CAT | H11 | 120.3° | 120.0° |
CAS | CAT | H11 | 120.3° | 120.0° |
CAT | CAS | H12 | 120.0° | 120.0° |
H1 | CAM | H2 | 109.5° | 109.4° |
H1 | CAM | H3 | 109.5° | 109.5° |
H2 | CAM | H3 | 109.4° | 109.5° |
H5 | CAJ | H6 | 109.4° | 109.4° |
H5 | CAJ | H7 | 109.4° | 109.6° |
H6 | CAJ | H7 | 109.5° | 109.5° |
H13 | CAX | H14 | 109.4° | 109.4° |
H13 | CAX | H15 | 109.5° | 109.5° |
H14 | CAX | H15 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAJ | CAI | NAH | CAE | 178.4° | 179.9° |
CAJ | CAI | NAH | OAG | 179.4° | 180.0° |
CAJ | CAI | CAE | CAF | 3.5° | 0.0° |
CAJ | CAI | CAE | CAD | 179.9° | 180.0° |
CAI | CAJ | H5 | H6 | 120.0° | 119.9° |
CAI | CAJ | H5 | H7 | 120.0° | 120.1° |
CAI | CAJ | H6 | H7 | 120.0° | 120.0° |
NAH | CAI | CAE | CAF | 178.2° | 180.0° |
NAH | CAI | CAE | CAD | 1.6° | 0.0° |
CAI | NAH | OAG | CAD | 2.0° | 0.0° |
NAH | CAI | CAJ | H5 | 0.0° | 90.0° |
NAH | CAI | CAJ | H6 | 120.0° | 150.1° |
NAH | CAI | CAJ | H7 | 120.0° | 30.1° |
CAE | CAI | NAH | OAG | 2.2° | 0.0° |
CAI | CAE | CAF | CAD | 176.2° | 180.0° |
CAI | CAE | CAF | CAA | 180.0° | 179.8° |
CAI | CAE | CAD | OAG | 0.2° | 0.0° |
CAI | CAE | CAD | CAC | 179.1° | 180.0° |
CAE | CAI | CAJ | H5 | 178.1° | 89.9° |
CAE | CAI | CAJ | H6 | 58.1° | 30.0° |
CAE | CAI | CAJ | H7 | 61.9° | 150.0° |
CAI | CAE | CAF | H8 | 0.0° | 0.0° |
NAH | OAG | CAD | CAE | 1.1° | 0.0° |
NAH | OAG | CAD | CAC | 177.8° | 180.0° |
CAE | CAF | CAA | H8 | 180.0° | 179.8° |
CAF | CAE | CAD | OAG | 177.2° | 180.0° |
CAF | CAE | CAD | CAC | 3.8° | 0.0° |
CAE | CAF | CAA | NAK | 178.2° | 180.0° |
CAE | CAF | CAA | CAB | 2.5° | 0.5° |
CAD | CAE | CAF | CAA | 3.8° | 0.3° |
CAE | CAD | OAG | CAC | 178.9° | 180.0° |
CAE | CAD | CAC | CAB | 2.4° | 0.0° |
CAE | CAD | CAC | H4 | 177.6° | 180.0° |
CAD | CAE | CAF | H8 | 176.2° | 180.0° |
CAF | CAA | NAK | CAB | 175.8° | 179.5° |
CAF | CAA | NAK | SAN | 64.1° | 35.4° |
CAF | CAA | CAB | CAC | 1.1° | 0.5° |
CAF | CAA | CAB | OAL | 179.4° | 179.7° |
CAF | CAA | NAK | H9 | 174.4° | 144.6° |
OAG | CAD | CAC | CAB | 178.8° | 180.0° |
OAG | CAD | CAC | H4 | 1.1° | 0.0° |
CAD | CAC | CAB | CAA | 1.0° | 0.2° |
CAD | CAC | CAB | H4 | 180.0° | 180.0° |
CAD | CAC | CAB | OAL | 179.6° | 180.0° |
OAO | SAN | NAK | CAA | 48.1° | 53.3° |
OAO | SAN | NAK | OAP | 126.4° | 132.9° |
OAO | SAN | NAK | CAQ | 115.3° | 113.5° |
OAO | SAN | OAP | CAQ | 122.2° | 123.0° |
OAO | SAN | CAQ | CAV | 1.5° | 2.0° |
OAO | SAN | CAQ | CAR | 176.8° | 178.2° |
OAO | SAN | NAK | H9 | 169.6° | 126.7° |
CAA | NAK | SAN | H9 | 121.5° | 180.0° |
NAK | CAA | CAB | CAC | 177.2° | 180.0° |
NAK | CAA | CAB | OAL | 3.4° | 0.2° |
CAA | NAK | SAN | OAP | 174.5° | 173.8° |
CAA | NAK | SAN | CAQ | 67.2° | 60.2° |
NAK | CAA | CAF | H8 | 1.8° | 0.2° |
CAB | CAA | NAK | SAN | 120.2° | 144.1° |
CAA | CAB | CAC | OAL | 179.4° | 179.8° |
CAA | CAB | OAL | CAM | 169.0° | 179.8° |
CAA | CAB | CAC | H4 | 179.0° | 179.8° |
CAB | CAA | CAF | H8 | 177.5° | 179.7° |
CAB | CAA | NAK | H9 | 1.4° | 36.0° |
NAK | SAN | OAP | CAQ | 116.7° | 114.1° |
NAK | SAN | CAQ | CAV | 116.3° | 115.5° |
NAK | SAN | CAQ | CAR | 62.0° | 64.8° |
CAC | CAB | OAL | CAM | 10.4° | 0.0° |
CAB | OAL | CAM | H1 | 180.0° | 60.0° |
CAB | OAL | CAM | H2 | 60.0° | 60.0° |
CAB | OAL | CAM | H3 | 60.0° | 180.0° |
OAL | CAB | CAC | H4 | 0.4° | 0.0° |
OAP | SAN | CAQ | CAV | 125.4° | 130.9° |
OAP | SAN | CAQ | CAR | 56.3° | 48.8° |
OAP | SAN | NAK | H9 | 63.9° | 6.2° |
SAN | CAQ | CAV | CAR | 178.3° | 179.7° |
SAN | CAQ | CAV | CAU | 179.3° | 180.0° |
SAN | CAQ | CAR | OAW | 2.6° | 0.0° |
SAN | CAQ | CAR | CAS | 179.7° | 179.7° |
CAQ | SAN | NAK | H9 | 54.4° | 119.8° |
SAN | CAQ | CAV | H10 | 0.7° | 0.0° |
OAL | CAM | H1 | H2 | 120.0° | 120.0° |
OAL | CAM | H1 | H3 | 120.0° | 120.0° |
OAL | CAM | H2 | H3 | 120.0° | 120.0° |
CAQ | CAV | CAU | H10 | 180.0° | 180.0° |
CAV | CAQ | CAR | OAW | 179.2° | 179.7° |
CAV | CAQ | CAR | CAS | 1.5° | 0.5° |
CAQ | CAV | CAU | CLAY | 179.4° | 180.0° |
CAQ | CAV | CAU | CAT | 0.1° | 0.0° |
CAR | CAQ | CAV | CAU | 1.0° | 0.2° |
CAQ | CAR | OAW | CAS | 177.6° | 179.7° |
CAQ | CAR | OAW | CAX | 178.4° | 180.0° |
CAQ | CAR | CAS | CAT | 1.0° | 0.6° |
CAR | CAQ | CAV | H10 | 179.0° | 179.7° |
CAQ | CAR | CAS | H12 | 179.0° | 179.7° |
CAV | CAU | CLAY | CAT | 179.6° | 180.0° |
CAV | CAU | CAT | CAS | 0.3° | 0.0° |
CAV | CAU | CAT | H11 | 179.7° | 180.0° |
OAW | CAR | CAS | CAT | 178.6° | 179.7° |
OAW | CAR | CAS | H12 | 1.4° | 0.0° |
CAR | OAW | CAX | H13 | 180.0° | 60.1° |
CAR | OAW | CAX | H14 | 60.0° | 180.0° |
CAR | OAW | CAX | H15 | 60.0° | 60.0° |
CAX | OAW | CAR | CAS | 3.9° | 0.3° |
OAW | CAX | H13 | H14 | 120.0° | 119.9° |
OAW | CAX | H13 | H15 | 120.0° | 120.1° |
OAW | CAX | H14 | H15 | 120.0° | 120.0° |
CAR | CAS | CAT | CAU | 0.2° | 0.4° |
CAR | CAS | CAT | H12 | 180.0° | 179.6° |
CAR | CAS | CAT | H11 | 179.9° | 179.7° |
CLAY | CAU | CAT | CAS | 179.9° | 180.0° |
CLAY | CAU | CAV | H10 | 0.5° | 0.0° |
CLAY | CAU | CAT | H11 | 0.1° | 0.0° |
CAU | CAT | CAS | H11 | 180.0° | 179.9° |
CAT | CAU | CAV | H10 | 179.9° | 180.0° |
CAU | CAT | CAS | H12 | 179.8° | 180.0° |
H1 | CAM | H2 | H3 | 120.0° | 120.0° |
H5 | CAJ | H6 | H7 | 120.0° | 120.1° |
H11 | CAT | CAS | H12 | 0.1° | 0.1° |
H13 | CAX | H14 | H15 | 120.0° | 120.0° |