0QV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAQ | sing | 1.43Å | 1.45Å | |
CAQ | CAI | sing | 1.53Å | 1.58Å | |
CAQ | CAH | sing | 1.53Å | 1.54Å | |
CAI | CAK | sing | 1.53Å | 1.51Å | |
CAH | CAJ | sing | 1.53Å | 1.57Å | |
CAK | NAR | sing | 1.47Å | 1.50Å | |
CAJ | NAR | sing | 1.47Å | 1.50Å | |
NAR | CAM | sing | 1.35Å | 1.39Å | |
SAB | CAM | doub | 1.71Å | 1.77Å | |
CAM | CAN | sing | 1.47Å | 1.43Å | |
CAN | CAP | sing | 1.47Å | 1.43Å | Aromatic |
CAN | CAG | doub | 1.36Å | 1.34Å | Aromatic |
CAF | CAP | doub | 1.39Å | 1.40Å | Aromatic |
CAF | CAD | sing | 1.38Å | 1.38Å | Aromatic |
CAP | CAO | sing | 1.40Å | 1.42Å | Aromatic |
CAG | NAL | sing | 1.36Å | 1.35Å | Aromatic |
CAD | CAC | doub | 1.39Å | 1.39Å | Aromatic |
CAO | NAL | sing | 1.38Å | 1.36Å | Aromatic |
CAO | CAE | doub | 1.39Å | 1.40Å | Aromatic |
CAC | CAE | sing | 1.38Å | 1.40Å | Aromatic |
CAJ | H1 | sing | 1.09Å | 1.10Å | |
CAJ | H2 | sing | 1.09Å | 1.10Å | |
CAH | H3 | sing | 1.09Å | 1.10Å | |
CAH | H4 | sing | 1.09Å | 1.10Å | |
CAQ | H5 | sing | 1.09Å | 1.10Å | |
OAA | H6 | sing | 0.97Å | 0.95Å | |
CAI | H7 | sing | 1.09Å | 1.10Å | |
CAI | H8 | sing | 1.09Å | 1.10Å | |
CAK | H9 | sing | 1.09Å | 1.10Å | |
CAK | H10 | sing | 1.09Å | 1.10Å | |
CAF | H11 | sing | 1.08Å | 1.08Å | |
CAD | H12 | sing | 1.08Å | 1.08Å | |
CAC | H13 | sing | 1.08Å | 1.08Å | |
CAE | H14 | sing | 1.08Å | 1.08Å | |
NAL | H15 | sing | 0.97Å | 1.00Å | |
CAG | H16 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAQ | CAI | 108.7° | 109.4° |
OAA | CAQ | CAH | 106.2° | 109.5° |
OAA | CAQ | H5 | 109.8° | 109.5° |
CAQ | OAA | H6 | 109.5° | 114.0° |
CAI | CAQ | CAH | 115.3° | 109.6° |
CAQ | CAI | CAK | 106.8° | 109.3° |
CAI | CAQ | H5 | 108.1° | 109.4° |
CAQ | CAI | H7 | 110.1° | 109.5° |
CAQ | CAI | H8 | 110.2° | 109.5° |
CAQ | CAH | CAJ | 111.4° | 109.3° |
CAQ | CAH | H3 | 109.0° | 109.5° |
CAQ | CAH | H4 | 109.0° | 109.5° |
CAH | CAQ | H5 | 108.6° | 109.5° |
CAI | CAK | NAR | 113.1° | 108.8° |
CAK | CAI | H7 | 110.2° | 109.5° |
CAK | CAI | H8 | 110.1° | 109.5° |
CAI | CAK | H9 | 108.6° | 109.6° |
CAI | CAK | H10 | 108.5° | 109.6° |
CAH | CAJ | NAR | 100.5° | 108.8° |
CAH | CAJ | H1 | 111.7° | 109.6° |
CAH | CAJ | H2 | 111.7° | 109.7° |
CAJ | CAH | H3 | 109.0° | 109.5° |
CAJ | CAH | H4 | 109.0° | 109.5° |
CAK | NAR | CAJ | 115.4° | 118.7° |
CAK | NAR | CAM | 121.9° | 120.6° |
NAR | CAK | H9 | 108.5° | 109.6° |
NAR | CAK | H10 | 108.6° | 109.6° |
CAJ | NAR | CAM | 122.5° | 120.6° |
NAR | CAJ | H1 | 111.7° | 109.6° |
NAR | CAJ | H2 | 111.6° | 109.6° |
NAR | CAM | SAB | 115.1° | 120.0° |
NAR | CAM | CAN | 125.6° | 120.0° |
SAB | CAM | CAN | 119.3° | 119.9° |
CAM | CAN | CAP | 125.7° | 126.8° |
CAM | CAN | CAG | 127.5° | 126.8° |
CAP | CAN | CAG | 106.8° | 106.5° |
CAN | CAP | CAF | 134.7° | 134.0° |
CAN | CAP | CAO | 106.3° | 105.9° |
CAN | CAG | NAL | 110.6° | 109.8° |
CAN | CAG | H16 | 124.7° | 125.1° |
CAP | CAF | CAD | 121.3° | 119.7° |
CAF | CAP | CAO | 119.0° | 120.1° |
CAP | CAF | H11 | 119.3° | 120.1° |
CAF | CAD | CAC | 119.9° | 120.3° |
CAD | CAF | H11 | 119.4° | 120.2° |
CAF | CAD | H12 | 120.0° | 119.8° |
CAP | CAO | NAL | 106.6° | 107.5° |
CAP | CAO | CAE | 119.1° | 119.3° |
CAG | NAL | CAO | 109.8° | 110.4° |
CAG | NAL | H15 | 125.1° | 124.8° |
NAL | CAG | H16 | 124.7° | 125.1° |
CAD | CAC | CAE | 120.3° | 120.6° |
CAC | CAD | H12 | 120.1° | 119.8° |
CAD | CAC | H13 | 119.9° | 119.7° |
NAL | CAO | CAE | 134.3° | 133.2° |
CAO | NAL | H15 | 125.1° | 124.8° |
CAO | CAE | CAC | 120.3° | 120.0° |
CAO | CAE | H14 | 119.9° | 120.0° |
CAE | CAC | H13 | 119.9° | 119.7° |
CAC | CAE | H14 | 119.9° | 120.0° |
H1 | CAJ | H2 | 109.5° | 109.6° |
H3 | CAH | H4 | 109.4° | 109.5° |
H7 | CAI | H8 | 109.4° | 109.5° |
H9 | CAK | H10 | 109.4° | 109.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAQ | CAI | CAH | 119.1° | 120.0° |
OAA | CAQ | CAI | H5 | 119.2° | 119.9° |
OAA | CAQ | CAH | H5 | 118.1° | 120.0° |
OAA | CAQ | CAI | CAK | 71.9° | 178.6° |
OAA | CAQ | CAH | CAJ | 63.3° | 178.7° |
OAA | CAQ | CAH | H3 | 57.0° | 58.7° |
OAA | CAQ | CAH | H4 | 176.4° | 61.4° |
OAA | CAQ | CAI | H7 | 168.5° | 58.6° |
OAA | CAQ | CAI | H8 | 47.6° | 61.5° |
CAI | CAQ | CAH | H5 | 121.5° | 120.0° |
CAQ | CAI | CAK | H7 | 119.6° | 120.0° |
CAQ | CAI | CAK | H8 | 119.6° | 119.9° |
CAI | CAQ | CAH | CAJ | 57.1° | 61.3° |
CAQ | CAI | CAK | NAR | 47.9° | 54.6° |
CAI | CAQ | CAH | H3 | 177.4° | 178.7° |
CAI | CAQ | CAH | H4 | 63.2° | 58.6° |
CAI | CAQ | OAA | H6 | 180.0° | 180.0° |
CAQ | CAI | H7 | H8 | 121.3° | 120.1° |
CAQ | CAI | CAK | H9 | 168.4° | 65.2° |
CAQ | CAI | CAK | H10 | 72.7° | 174.4° |
CAH | CAQ | CAI | CAK | 47.1° | 61.4° |
CAQ | CAH | CAJ | H3 | 120.3° | 120.0° |
CAQ | CAH | CAJ | H4 | 120.3° | 120.0° |
CAQ | CAH | CAJ | NAR | 60.2° | 54.6° |
CAQ | CAH | CAJ | H1 | 58.4° | 174.4° |
CAQ | CAH | CAJ | H2 | 178.7° | 65.2° |
CAQ | CAH | H3 | H4 | 119.1° | 120.1° |
CAH | CAQ | OAA | H6 | 55.4° | 59.9° |
CAH | CAQ | CAI | H7 | 72.5° | 178.6° |
CAH | CAQ | CAI | H8 | 166.7° | 58.6° |
CAI | CAK | NAR | H9 | 120.6° | 119.8° |
CAI | CAK | NAR | H10 | 120.6° | 119.8° |
CAI | CAK | NAR | CAJ | 64.6° | 53.6° |
CAI | CAK | NAR | CAM | 119.7° | 126.4° |
CAK | CAI | CAQ | H5 | 168.9° | 58.7° |
CAK | CAI | H7 | H8 | 121.2° | 120.1° |
CAI | CAK | H9 | H10 | 118.3° | 120.4° |
CAH | CAJ | NAR | CAK | 65.5° | 53.6° |
CAH | CAJ | NAR | H1 | 118.5° | 119.8° |
CAH | CAJ | NAR | H2 | 118.5° | 119.9° |
CAH | CAJ | NAR | CAM | 118.8° | 126.4° |
CAH | CAJ | H1 | H2 | 124.2° | 120.4° |
CAJ | CAH | H3 | H4 | 119.1° | 120.0° |
CAJ | CAH | CAQ | H5 | 178.6° | 58.7° |
CAK | NAR | CAJ | CAM | 175.7° | 180.0° |
CAK | NAR | CAM | SAB | 8.7° | 5.1° |
CAK | NAR | CAM | CAN | 172.5° | 174.9° |
CAK | NAR | CAJ | H1 | 53.1° | 173.4° |
CAK | NAR | CAJ | H2 | 176.0° | 66.3° |
NAR | CAK | CAI | H7 | 71.7° | 174.6° |
NAR | CAK | CAI | H8 | 167.5° | 65.3° |
NAR | CAK | H9 | H10 | 118.3° | 120.3° |
CAJ | NAR | CAM | SAB | 175.8° | 174.9° |
CAJ | NAR | CAM | CAN | 3.0° | 5.1° |
NAR | CAJ | H1 | H2 | 124.1° | 120.3° |
NAR | CAJ | CAH | H3 | 179.5° | 174.6° |
NAR | CAJ | CAH | H4 | 60.1° | 65.3° |
CAJ | NAR | CAK | H9 | 174.8° | 66.2° |
CAJ | NAR | CAK | H10 | 56.0° | 173.4° |
NAR | CAM | SAB | CAN | 178.8° | 180.0° |
NAR | CAM | CAN | CAP | 136.8° | 94.9° |
NAR | CAM | CAN | CAG | 46.4° | 85.3° |
CAM | NAR | CAJ | H1 | 122.7° | 6.6° |
CAM | NAR | CAJ | H2 | 0.2° | 113.7° |
CAM | NAR | CAK | H9 | 0.9° | 113.8° |
CAM | NAR | CAK | H10 | 119.8° | 6.6° |
SAB | CAM | CAN | CAP | 41.9° | 85.1° |
SAB | CAM | CAN | CAG | 134.9° | 94.7° |
CAM | CAN | CAP | CAG | 177.4° | 179.8° |
CAM | CAN | CAP | CAF | 0.3° | 0.0° |
CAM | CAN | CAP | CAO | 177.4° | 180.0° |
CAM | CAN | CAG | NAL | 175.5° | 179.8° |
CAM | CAN | CAG | H16 | 4.5° | 0.0° |
CAN | CAP | CAF | CAO | 176.8° | 180.0° |
CAN | CAP | CAF | CAD | 179.1° | 180.0° |
CAP | CAN | CAG | NAL | 1.8° | 0.4° |
CAN | CAP | CAO | NAL | 1.8° | 0.0° |
CAN | CAP | CAO | CAE | 179.6° | 180.0° |
CAN | CAP | CAF | H11 | 0.9° | 0.1° |
CAP | CAN | CAG | H16 | 178.2° | 179.8° |
CAG | CAN | CAP | CAF | 177.1° | 179.8° |
CAG | CAN | CAP | CAO | 0.0° | 0.2° |
CAN | CAG | NAL | H16 | 180.0° | 179.8° |
CAN | CAG | NAL | CAO | 3.0° | 0.4° |
CAN | CAG | NAL | H15 | 177.0° | 179.9° |
CAP | CAF | CAD | H11 | 180.0° | 179.9° |
CAP | CAF | CAD | CAC | 2.2° | 0.0° |
CAF | CAP | CAO | NAL | 175.8° | 180.0° |
CAF | CAP | CAO | CAE | 2.7° | 0.0° |
CAP | CAF | CAD | H12 | 177.7° | 180.0° |
CAD | CAF | CAP | CAO | 4.1° | 0.0° |
CAF | CAD | CAC | H12 | 180.0° | 180.0° |
CAF | CAD | CAC | CAE | 1.0° | 0.0° |
CAF | CAD | CAC | H13 | 179.0° | 180.0° |
CAP | CAO | NAL | CAG | 3.0° | 0.3° |
CAP | CAO | NAL | CAE | 178.2° | 180.0° |
CAP | CAO | CAE | CAC | 0.4° | 0.0° |
CAO | CAP | CAF | H11 | 175.9° | 179.9° |
CAP | CAO | CAE | H14 | 179.6° | 180.0° |
CAP | CAO | NAL | H15 | 177.1° | 180.0° |
CAG | NAL | CAO | H15 | 180.0° | 179.7° |
CAG | NAL | CAO | CAE | 178.8° | 179.7° |
CAD | CAC | CAE | CAO | 2.3° | 0.0° |
CAD | CAC | CAE | H13 | 180.0° | 180.0° |
CAC | CAD | CAF | H11 | 177.7° | 180.0° |
CAD | CAC | CAE | H14 | 177.7° | 179.9° |
NAL | CAO | CAE | CAC | 178.5° | 180.0° |
NAL | CAO | CAE | H14 | 1.5° | 0.0° |
CAO | NAL | CAG | H16 | 177.0° | 179.8° |
CAO | CAE | CAC | H14 | 180.0° | 179.9° |
CAO | CAE | CAC | H13 | 177.7° | 180.0° |
CAE | CAO | NAL | H15 | 1.2° | 0.0° |
CAE | CAC | CAD | H12 | 179.0° | 180.0° |
H1 | CAJ | CAH | H3 | 61.9° | 65.6° |
H1 | CAJ | CAH | H4 | 178.7° | 54.4° |
H2 | CAJ | CAH | H3 | 61.0° | 54.8° |
H2 | CAJ | CAH | H4 | 58.4° | 174.8° |
H3 | CAH | CAQ | H5 | 61.1° | 61.3° |
H4 | CAH | CAQ | H5 | 58.3° | 178.6° |
H5 | CAQ | OAA | H6 | 61.9° | 60.0° |
H5 | CAQ | CAI | H7 | 49.3° | 61.3° |
H5 | CAQ | CAI | H8 | 71.6° | 178.6° |
H7 | CAI | CAK | H9 | 48.8° | 54.8° |
H7 | CAI | CAK | H10 | 167.7° | 65.6° |
H8 | CAI | CAK | H9 | 72.0° | 174.9° |
H8 | CAI | CAK | H10 | 46.9° | 54.5° |
H11 | CAF | CAD | H12 | 2.3° | 0.1° |
H12 | CAD | CAC | H13 | 1.0° | 0.0° |
H13 | CAC | CAE | H14 | 2.3° | 0.1° |
H15 | NAL | CAG | H16 | 3.0° | 0.1° |