BV9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAI | CAG | doub | 1.22Å | 1.23Å | |
CAG | NAH | sing | 1.35Å | 1.32Å | |
CAG | CAB | sing | 1.48Å | 1.40Å | |
CAC | CAB | doub | 1.40Å | 1.39Å | Aromatic |
CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
CAB | CAA | sing | 1.40Å | 1.39Å | Aromatic |
CAD | CAE | doub | 1.40Å | 1.38Å | Aromatic |
CAK | NAL | doub | 1.32Å | 1.40Å | Aromatic |
CAK | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
CAA | CAF | doub | 1.38Å | 1.40Å | Aromatic |
CAE | CAJ | sing | 1.48Å | 1.39Å | |
CAE | CAF | sing | 1.40Å | 1.39Å | Aromatic |
NAL | CAM | sing | 1.32Å | 1.41Å | Aromatic |
CAJ | CAO | doub | 1.40Å | 1.39Å | Aromatic |
CAM | CAN | doub | 1.39Å | 1.40Å | Aromatic |
CAO | CAN | sing | 1.40Å | 1.39Å | Aromatic |
CAN | CAP | sing | 1.48Å | 1.34Å | |
CAP | CAT | doub | 1.37Å | 1.33Å | Aromatic |
CAP | CAQ | sing | 1.41Å | 1.33Å | Aromatic |
CAT | NAS | sing | 1.35Å | 1.34Å | Aromatic |
CAQ | NAR | doub | 1.31Å | 1.34Å | Aromatic |
NAS | NAR | sing | 1.40Å | 1.35Å | Aromatic |
NAS | CAU | sing | 1.46Å | 1.48Å | |
CAA | H1 | sing | 1.08Å | 1.08Å | |
CAC | H2 | sing | 1.08Å | 1.08Å | |
CAD | H3 | sing | 1.08Å | 1.08Å | |
CAF | H4 | sing | 1.08Å | 1.08Å | |
CAK | H5 | sing | 1.08Å | 1.08Å | |
CAM | H6 | sing | 1.08Å | 1.08Å | |
CAO | H7 | sing | 1.08Å | 1.08Å | |
CAQ | H8 | sing | 1.08Å | 1.08Å | |
CAT | H9 | sing | 1.08Å | 1.08Å | |
CAU | H10 | sing | 1.09Å | 1.10Å | |
CAU | H11 | sing | 1.09Å | 1.10Å | |
CAU | H12 | sing | 1.09Å | 1.10Å | |
NAH | H13 | sing | 0.97Å | 1.00Å | |
NAH | H14 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAI | CAG | NAH | 123.1° | 120.0° |
OAI | CAG | CAB | 121.3° | 120.0° |
NAH | CAG | CAB | 115.6° | 120.0° |
CAG | NAH | H13 | 120.0° | 120.0° |
CAG | NAH | H14 | 120.0° | 120.0° |
CAG | CAB | CAC | 118.9° | 120.0° |
CAG | CAB | CAA | 122.1° | 120.0° |
CAB | CAC | CAD | 120.4° | 120.0° |
CAC | CAB | CAA | 118.9° | 120.0° |
CAB | CAC | H2 | 119.8° | 120.0° |
CAC | CAD | CAE | 120.8° | 120.0° |
CAD | CAC | H2 | 119.8° | 120.0° |
CAC | CAD | H3 | 119.6° | 120.0° |
CAB | CAA | CAF | 120.8° | 119.9° |
CAB | CAA | H1 | 119.6° | 120.1° |
CAD | CAE | CAJ | 118.3° | 120.0° |
CAD | CAE | CAF | 119.5° | 120.0° |
CAE | CAD | H3 | 119.6° | 120.0° |
NAL | CAK | CAJ | 119.9° | 120.8° |
CAK | NAL | CAM | 119.4° | 122.0° |
NAL | CAK | H5 | 120.0° | 119.6° |
CAK | CAJ | CAE | 119.6° | 120.5° |
CAK | CAJ | CAO | 120.4° | 119.0° |
CAJ | CAK | H5 | 120.0° | 119.6° |
CAA | CAF | CAE | 119.5° | 120.0° |
CAF | CAA | H1 | 119.6° | 120.0° |
CAA | CAF | H4 | 120.2° | 120.0° |
CAJ | CAE | CAF | 122.1° | 120.0° |
CAE | CAJ | CAO | 120.0° | 120.5° |
CAE | CAF | H4 | 120.3° | 120.0° |
NAL | CAM | CAN | 120.1° | 120.9° |
NAL | CAM | H6 | 119.9° | 119.5° |
CAJ | CAO | CAN | 120.3° | 118.2° |
CAJ | CAO | H7 | 119.9° | 120.9° |
CAM | CAN | CAO | 119.8° | 119.0° |
CAM | CAN | CAP | 121.0° | 120.5° |
CAN | CAM | H6 | 119.9° | 119.5° |
CAO | CAN | CAP | 119.1° | 120.4° |
CAN | CAO | H7 | 119.8° | 120.9° |
CAN | CAP | CAT | 124.6° | 126.2° |
CAN | CAP | CAQ | 125.4° | 126.3° |
CAT | CAP | CAQ | 110.0° | 107.6° |
CAP | CAT | NAS | 106.8° | 107.6° |
CAP | CAT | H9 | 126.6° | 126.2° |
CAP | CAQ | NAR | 106.9° | 108.1° |
CAP | CAQ | H8 | 126.5° | 126.0° |
CAT | NAS | NAR | 108.4° | 108.2° |
CAT | NAS | CAU | 125.9° | 125.9° |
NAS | CAT | H9 | 126.6° | 126.2° |
CAQ | NAR | NAS | 108.0° | 108.5° |
NAR | CAQ | H8 | 126.5° | 125.9° |
NAR | NAS | CAU | 125.7° | 125.9° |
NAS | CAU | H10 | 109.5° | 109.5° |
NAS | CAU | H11 | 109.5° | 109.5° |
NAS | CAU | H12 | 109.4° | 109.5° |
H10 | CAU | H11 | 109.5° | 109.4° |
H10 | CAU | H12 | 109.5° | 109.5° |
H11 | CAU | H12 | 109.5° | 109.5° |
H13 | NAH | H14 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAI | CAG | NAH | CAB | 177.7° | 180.0° |
OAI | CAG | CAB | CAC | 4.6° | 180.0° |
OAI | CAG | CAB | CAA | 173.9° | 0.0° |
OAI | CAG | NAH | H13 | 0.0° | 179.9° |
OAI | CAG | NAH | H14 | 180.0° | 0.0° |
NAH | CAG | CAB | CAC | 177.6° | 0.0° |
NAH | CAG | CAB | CAA | 3.8° | 180.0° |
CAG | NAH | H13 | H14 | 180.0° | 179.9° |
CAG | CAB | CAC | CAA | 178.6° | 180.0° |
CAG | CAB | CAC | CAD | 179.9° | 180.0° |
CAG | CAB | CAA | CAF | 179.9° | 180.0° |
CAG | CAB | CAA | H1 | 0.1° | 0.3° |
CAG | CAB | CAC | H2 | 0.1° | 0.0° |
CAB | CAG | NAH | H13 | 177.7° | 0.1° |
CAB | CAG | NAH | H14 | 2.2° | 180.0° |
CAB | CAC | CAD | H2 | 180.0° | 180.0° |
CAB | CAC | CAD | CAE | 2.2° | 0.0° |
CAC | CAB | CAA | CAF | 1.4° | 0.0° |
CAC | CAB | CAA | H1 | 178.6° | 179.7° |
CAB | CAC | CAD | H3 | 177.8° | 180.0° |
CAD | CAC | CAB | CAA | 1.5° | 0.0° |
CAC | CAD | CAE | H3 | 180.0° | 180.0° |
CAC | CAD | CAE | CAJ | 179.3° | 180.0° |
CAC | CAD | CAE | CAF | 2.5° | 0.0° |
CAB | CAA | CAF | H1 | 180.0° | 179.7° |
CAB | CAA | CAF | CAE | 1.7° | 0.0° |
CAA | CAB | CAC | H2 | 178.5° | 180.0° |
CAB | CAA | CAF | H4 | 178.3° | 179.8° |
CAD | CAE | CAJ | CAK | 6.5° | 0.3° |
CAD | CAE | CAF | CAA | 2.3° | 0.0° |
CAD | CAE | CAJ | CAF | 176.7° | 180.0° |
CAD | CAE | CAJ | CAO | 174.6° | 180.0° |
CAE | CAD | CAC | H2 | 177.8° | 180.0° |
CAD | CAE | CAF | H4 | 177.7° | 179.8° |
NAL | CAK | CAJ | H5 | 180.0° | 180.0° |
NAL | CAK | CAJ | CAE | 179.7° | 180.0° |
NAL | CAK | CAJ | CAO | 0.9° | 0.2° |
CAK | NAL | CAM | CAN | 0.6° | 0.3° |
CAK | NAL | CAM | H6 | 179.4° | 180.0° |
CAK | CAJ | CAE | CAO | 178.8° | 179.8° |
CAK | CAJ | CAE | CAF | 176.7° | 179.8° |
CAJ | CAK | NAL | CAM | 0.1° | 0.1° |
CAK | CAJ | CAO | CAN | 1.0° | 0.2° |
CAK | CAJ | CAO | H7 | 179.0° | 179.7° |
CAA | CAF | CAE | CAJ | 179.0° | 180.0° |
CAA | CAF | CAE | H4 | 180.0° | 179.8° |
CAE | CAJ | CAO | CAN | 179.8° | 180.0° |
CAJ | CAE | CAD | H3 | 0.7° | 0.0° |
CAJ | CAE | CAF | H4 | 1.0° | 0.3° |
CAE | CAJ | CAK | H5 | 0.3° | 0.0° |
CAE | CAJ | CAO | H7 | 0.2° | 0.0° |
CAF | CAE | CAJ | CAO | 2.1° | 0.0° |
CAE | CAF | CAA | H1 | 178.3° | 179.7° |
CAF | CAE | CAD | H3 | 177.5° | 180.0° |
NAL | CAM | CAN | H6 | 180.0° | 179.7° |
NAL | CAM | CAN | CAO | 0.5° | 0.3° |
NAL | CAM | CAN | CAP | 179.4° | 179.8° |
CAM | NAL | CAK | H5 | 179.9° | 180.0° |
CAJ | CAO | CAN | CAM | 0.3° | 0.0° |
CAJ | CAO | CAN | H7 | 180.0° | 179.9° |
CAJ | CAO | CAN | CAP | 178.6° | 180.0° |
CAO | CAJ | CAK | H5 | 179.1° | 179.8° |
CAM | CAN | CAO | CAP | 178.9° | 180.0° |
CAM | CAN | CAP | CAT | 179.6° | 0.0° |
CAM | CAN | CAP | CAQ | 2.7° | 179.6° |
CAM | CAN | CAO | H7 | 179.7° | 180.0° |
CAO | CAN | CAP | CAT | 1.5° | 179.9° |
CAO | CAN | CAP | CAQ | 176.3° | 0.3° |
CAO | CAN | CAM | H6 | 179.5° | 180.0° |
CAN | CAP | CAT | CAQ | 178.1° | 179.7° |
CAN | CAP | CAT | NAS | 178.8° | 180.0° |
CAN | CAP | CAQ | NAR | 178.8° | 180.0° |
CAP | CAN | CAM | H6 | 0.6° | 0.1° |
CAP | CAN | CAO | H7 | 1.4° | 0.1° |
CAN | CAP | CAQ | H8 | 1.2° | 0.1° |
CAN | CAP | CAT | H9 | 1.2° | 0.0° |
CAP | CAT | NAS | H9 | 180.0° | 180.0° |
CAT | CAP | CAQ | NAR | 0.8° | 0.3° |
CAP | CAT | NAS | NAR | 0.4° | 0.2° |
CAP | CAT | NAS | CAU | 179.6° | 180.0° |
CAT | CAP | CAQ | H8 | 179.2° | 179.8° |
CAQ | CAP | CAT | NAS | 0.8° | 0.3° |
CAP | CAQ | NAR | H8 | 180.0° | 180.0° |
CAP | CAQ | NAR | NAS | 0.5° | 0.1° |
CAQ | CAP | CAT | H9 | 179.3° | 179.7° |
CAT | NAS | NAR | CAQ | 0.1° | 0.0° |
CAT | NAS | NAR | CAU | 180.0° | 179.8° |
CAT | NAS | CAU | H10 | 180.0° | 90.0° |
CAT | NAS | CAU | H11 | 59.9° | 150.0° |
CAT | NAS | CAU | H12 | 60.0° | 30.0° |
CAQ | NAR | NAS | CAU | 180.0° | 179.9° |
NAS | NAR | CAQ | H8 | 179.5° | 179.9° |
NAR | NAS | CAT | H9 | 179.6° | 179.8° |
NAR | NAS | CAU | H10 | 0.0° | 90.2° |
NAR | NAS | CAU | H11 | 120.0° | 29.8° |
NAR | NAS | CAU | H12 | 120.0° | 149.8° |
CAU | NAS | CAT | H9 | 0.4° | 0.1° |
NAS | CAU | H10 | H11 | 120.0° | 120.0° |
NAS | CAU | H10 | H12 | 120.0° | 120.0° |
NAS | CAU | H11 | H12 | 120.0° | 120.0° |
H1 | CAA | CAF | H4 | 1.8° | 0.1° |
H2 | CAC | CAD | H3 | 2.2° | 0.1° |
H10 | CAU | H11 | H12 | 120.0° | 120.0° |