0GA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAE | CAM | doub | 1.21Å | 1.25Å | |
OAC | CAM | sing | 1.35Å | 1.27Å | |
CAM | CAQ | sing | 1.47Å | 1.52Å | |
CAQ | CAJ | doub | 1.40Å | 1.40Å | Aromatic |
CAQ | CAO | sing | 1.40Å | 1.46Å | Aromatic |
OAF | CAO | sing | 1.36Å | 1.35Å | |
CAJ | CAH | sing | 1.38Å | 1.43Å | Aromatic |
CAO | CAP | doub | 1.39Å | 1.46Å | Aromatic |
CAH | CAI | doub | 1.39Å | 1.40Å | Aromatic |
CAP | CAI | sing | 1.38Å | 1.39Å | Aromatic |
CAP | OAK | sing | 1.36Å | 1.37Å | |
OAK | CAN | sing | 1.36Å | 1.46Å | |
CAA | CAG | sing | 1.51Å | 1.51Å | |
CAN | CAG | doub | 1.33Å | 1.35Å | |
CAN | CAL | sing | 1.47Å | 1.48Å | |
OAD | CAL | doub | 1.22Å | 1.24Å | |
CAL | OAB | sing | 1.35Å | 1.24Å | |
OAB | H1 | sing | 0.97Å | 0.95Å | |
CAG | H2 | sing | 1.08Å | 1.08Å | |
CAA | H3 | sing | 1.09Å | 1.10Å | |
CAA | H4 | sing | 1.09Å | 1.10Å | |
CAA | H5 | sing | 1.09Å | 1.10Å | |
CAI | H6 | sing | 1.08Å | 1.08Å | |
CAH | H7 | sing | 1.08Å | 1.08Å | |
CAJ | H8 | sing | 1.08Å | 1.08Å | |
OAF | H9 | sing | 0.97Å | 0.95Å | |
OAC | H10 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAE | CAM | OAC | 124.8° | 120.0° |
OAE | CAM | CAQ | 115.7° | 120.0° |
OAC | CAM | CAQ | 119.5° | 120.0° |
CAM | OAC | H10 | 109.5° | 117.0° |
CAM | CAQ | CAJ | 124.5° | 120.2° |
CAM | CAQ | CAO | 116.1° | 120.1° |
CAJ | CAQ | CAO | 119.4° | 119.7° |
CAQ | CAJ | CAH | 121.1° | 120.0° |
CAQ | CAJ | H8 | 119.4° | 120.0° |
CAQ | CAO | OAF | 119.5° | 120.2° |
CAQ | CAO | CAP | 118.6° | 119.6° |
OAF | CAO | CAP | 121.7° | 120.2° |
CAO | OAF | H9 | 109.5° | 114.0° |
CAJ | CAH | CAI | 119.5° | 120.3° |
CAJ | CAH | H7 | 120.3° | 119.9° |
CAH | CAJ | H8 | 119.4° | 120.0° |
CAO | CAP | CAI | 119.4° | 120.0° |
CAO | CAP | OAK | 115.1° | 120.0° |
CAH | CAI | CAP | 121.9° | 120.4° |
CAH | CAI | H6 | 119.0° | 119.8° |
CAI | CAH | H7 | 120.2° | 119.8° |
CAI | CAP | OAK | 125.5° | 120.0° |
CAP | CAI | H6 | 119.0° | 119.8° |
CAP | OAK | CAN | 120.3° | 118.0° |
OAK | CAN | CAG | 116.9° | 120.0° |
OAK | CAN | CAL | 118.3° | 120.0° |
CAA | CAG | CAN | 118.0° | 120.0° |
CAA | CAG | H2 | 121.0° | 120.0° |
CAG | CAA | H3 | 109.5° | 109.4° |
CAG | CAA | H4 | 109.4° | 109.5° |
CAG | CAA | H5 | 109.4° | 109.4° |
CAG | CAN | CAL | 124.7° | 120.0° |
CAN | CAG | H2 | 121.0° | 120.0° |
CAN | CAL | OAD | 119.5° | 120.0° |
CAN | CAL | OAB | 120.6° | 120.0° |
OAD | CAL | OAB | 119.2° | 120.0° |
CAL | OAB | H1 | 109.5° | 117.1° |
H3 | CAA | H4 | 109.5° | 109.5° |
H3 | CAA | H5 | 109.5° | 109.5° |
H4 | CAA | H5 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAE | CAM | OAC | CAQ | 177.2° | 180.0° |
OAE | CAM | CAQ | CAJ | 3.6° | 180.0° |
OAE | CAM | CAQ | CAO | 174.4° | 0.3° |
OAE | CAM | OAC | H10 | 0.0° | 0.0° |
OAC | CAM | CAQ | CAJ | 179.0° | 0.0° |
OAC | CAM | CAQ | CAO | 3.1° | 179.7° |
CAM | CAQ | CAJ | CAO | 177.9° | 179.7° |
CAM | CAQ | CAO | OAF | 4.1° | 0.3° |
CAM | CAQ | CAJ | CAH | 179.6° | 180.0° |
CAM | CAQ | CAO | CAP | 179.8° | 179.7° |
CAM | CAQ | CAJ | H8 | 0.5° | 0.1° |
CAQ | CAM | OAC | H10 | 177.2° | 180.0° |
CAJ | CAQ | CAO | OAF | 177.9° | 180.0° |
CAQ | CAJ | CAH | H8 | 180.0° | 179.9° |
CAJ | CAQ | CAO | CAP | 2.1° | 0.5° |
CAQ | CAJ | CAH | CAI | 2.2° | 0.1° |
CAQ | CAJ | CAH | H7 | 177.9° | 180.0° |
CAQ | CAO | OAF | CAP | 175.6° | 179.4° |
CAO | CAQ | CAJ | CAH | 2.6° | 0.3° |
CAQ | CAO | CAP | CAI | 1.3° | 0.6° |
CAQ | CAO | CAP | OAK | 177.5° | 179.8° |
CAO | CAQ | CAJ | H8 | 177.4° | 179.8° |
CAQ | CAO | OAF | H9 | 180.0° | 89.4° |
OAF | CAO | CAP | CAI | 177.0° | 180.0° |
OAF | CAO | CAP | OAK | 1.8° | 0.4° |
CAJ | CAH | CAI | H7 | 180.0° | 180.0° |
CAJ | CAH | CAI | CAP | 1.3° | 0.1° |
CAJ | CAH | CAI | H6 | 178.7° | 180.0° |
CAO | CAP | CAI | CAH | 0.9° | 0.3° |
CAO | CAP | CAI | OAK | 178.6° | 179.7° |
CAO | CAP | OAK | CAN | 179.4° | 174.6° |
CAO | CAP | CAI | H6 | 179.1° | 179.8° |
CAP | CAO | OAF | H9 | 4.3° | 90.0° |
CAH | CAI | CAP | H6 | 180.0° | 179.9° |
CAH | CAI | CAP | OAK | 177.7° | 180.0° |
CAI | CAH | CAJ | H8 | 177.8° | 180.0° |
CAI | CAP | OAK | CAN | 2.0° | 5.8° |
CAP | CAI | CAH | H7 | 178.7° | 180.0° |
CAP | OAK | CAN | CAG | 117.0° | 113.7° |
CAP | OAK | CAN | CAL | 61.3° | 66.3° |
OAK | CAP | CAI | H6 | 2.3° | 0.1° |
OAK | CAN | CAG | CAA | 0.9° | 5.3° |
OAK | CAN | CAG | CAL | 178.1° | 180.0° |
OAK | CAN | CAL | OAD | 9.8° | 0.0° |
OAK | CAN | CAL | OAB | 160.9° | 179.7° |
OAK | CAN | CAG | H2 | 179.1° | 174.6° |
CAA | CAG | CAN | H2 | 180.0° | 180.0° |
CAA | CAG | CAN | CAL | 177.2° | 174.6° |
CAG | CAA | H3 | H4 | 120.0° | 120.0° |
CAG | CAA | H3 | H5 | 120.0° | 119.9° |
CAG | CAA | H4 | H5 | 120.0° | 119.9° |
CAG | CAN | CAL | OAD | 172.1° | 180.0° |
CAG | CAN | CAL | OAB | 17.2° | 0.3° |
CAN | CAG | CAA | H3 | 180.0° | 64.9° |
CAN | CAG | CAA | H4 | 60.0° | 175.1° |
CAN | CAG | CAA | H5 | 60.0° | 55.1° |
CAN | CAL | OAD | OAB | 170.8° | 179.7° |
CAN | CAL | OAB | H1 | 170.7° | 179.7° |
CAL | CAN | CAG | H2 | 2.8° | 5.4° |
OAD | CAL | OAB | H1 | 0.0° | 0.0° |
H2 | CAG | CAA | H3 | 0.0° | 115.1° |
H2 | CAG | CAA | H4 | 120.0° | 4.9° |
H2 | CAG | CAA | H5 | 120.0° | 124.9° |
H3 | CAA | H4 | H5 | 120.0° | 120.1° |
H6 | CAI | CAH | H7 | 1.3° | 0.1° |
H7 | CAH | CAJ | H8 | 2.2° | 0.0° |