0RZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAB | CAM | doub | 1.21Å | 1.25Å | |
OAE | CAM | sing | 1.35Å | 1.26Å | |
CAM | CAF | sing | 1.48Å | 1.52Å | |
CAF | CAG | doub | 1.34Å | 1.55Å | |
CAG | CAO | sing | 1.48Å | 1.54Å | |
CAO | NAL | sing | 1.35Å | 1.34Å | |
CAO | OAD | doub | 1.22Å | 1.23Å | |
NAL | CAP | sing | 1.40Å | 1.33Å | |
CAP | CAK | doub | 1.39Å | 1.39Å | Aromatic |
CAP | CAI | sing | 1.39Å | 1.40Å | Aromatic |
CAK | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
NAA | CAN | sing | 1.35Å | 1.33Å | |
CAI | CAH | doub | 1.38Å | 1.39Å | Aromatic |
CAQ | CAN | sing | 1.48Å | 1.37Å | |
CAQ | CAJ | doub | 1.40Å | 1.39Å | Aromatic |
CAN | OAC | doub | 1.21Å | 1.23Å | |
CAH | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
OAE | H1 | sing | 0.97Å | 0.95Å | |
CAF | H2 | sing | 1.08Å | 1.08Å | |
CAG | H3 | sing | 1.08Å | 1.08Å | |
NAL | H4 | sing | 0.97Å | 1.00Å | |
CAK | H5 | sing | 1.08Å | 1.08Å | |
CAI | H6 | sing | 1.08Å | 1.08Å | |
CAH | H7 | sing | 1.08Å | 1.08Å | |
CAJ | H8 | sing | 1.08Å | 1.08Å | |
NAA | H9 | sing | 0.97Å | 1.00Å | |
NAA | H10 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAB | CAM | OAE | 121.1° | 120.0° |
OAB | CAM | CAF | 118.6° | 120.0° |
OAE | CAM | CAF | 120.3° | 119.9° |
CAM | OAE | H1 | 109.5° | 117.0° |
CAM | CAF | CAG | 121.2° | 119.9° |
CAM | CAF | H2 | 119.4° | 120.0° |
CAF | CAG | CAO | 120.3° | 120.0° |
CAG | CAF | H2 | 119.4° | 120.0° |
CAF | CAG | H3 | 119.9° | 120.0° |
CAG | CAO | NAL | 112.4° | 120.0° |
CAG | CAO | OAD | 121.3° | 120.0° |
CAO | CAG | H3 | 119.8° | 120.0° |
NAL | CAO | OAD | 126.1° | 120.0° |
CAO | NAL | CAP | 124.2° | 120.0° |
CAO | NAL | H4 | 117.9° | 120.0° |
NAL | CAP | CAK | 114.8° | 120.0° |
NAL | CAP | CAI | 125.4° | 120.0° |
CAP | NAL | H4 | 117.9° | 120.0° |
CAK | CAP | CAI | 119.5° | 120.0° |
CAP | CAK | CAQ | 120.9° | 119.8° |
CAP | CAK | H5 | 119.6° | 120.1° |
CAP | CAI | CAH | 119.5° | 120.2° |
CAP | CAI | H6 | 120.2° | 119.9° |
CAK | CAQ | CAN | 119.8° | 120.1° |
CAK | CAQ | CAJ | 119.8° | 119.8° |
CAQ | CAK | H5 | 119.6° | 120.1° |
NAA | CAN | CAQ | 115.6° | 120.0° |
NAA | CAN | OAC | 123.8° | 120.0° |
CAN | NAA | H9 | 120.0° | 120.0° |
CAN | NAA | H10 | 120.0° | 120.0° |
CAI | CAH | CAJ | 120.5° | 120.2° |
CAH | CAI | H6 | 120.2° | 119.9° |
CAI | CAH | H7 | 119.8° | 119.9° |
CAN | CAQ | CAJ | 120.4° | 120.1° |
CAQ | CAN | OAC | 120.5° | 120.0° |
CAQ | CAJ | CAH | 119.8° | 120.0° |
CAQ | CAJ | H8 | 120.1° | 120.0° |
CAJ | CAH | H7 | 119.8° | 119.9° |
CAH | CAJ | H8 | 120.1° | 120.0° |
H9 | NAA | H10 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAB | CAM | OAE | CAF | 179.9° | 179.8° |
OAB | CAM | CAF | CAG | 179.2° | 0.0° |
OAB | CAM | OAE | H1 | 0.0° | 0.0° |
OAB | CAM | CAF | H2 | 0.8° | 180.0° |
OAE | CAM | CAF | CAG | 0.9° | 179.7° |
OAE | CAM | CAF | H2 | 179.1° | 0.2° |
CAM | CAF | CAG | H2 | 180.0° | 180.0° |
CAM | CAF | CAG | CAO | 179.8° | 180.0° |
CAF | CAM | OAE | H1 | 179.9° | 179.7° |
CAM | CAF | CAG | H3 | 0.2° | 0.0° |
CAF | CAG | CAO | H3 | 180.0° | 180.0° |
CAF | CAG | CAO | NAL | 1.7° | 180.0° |
CAF | CAG | CAO | OAD | 178.9° | 0.0° |
CAG | CAO | NAL | OAD | 177.0° | 180.0° |
CAG | CAO | NAL | CAP | 173.4° | 174.7° |
CAO | CAG | CAF | H2 | 0.2° | 0.0° |
CAG | CAO | NAL | H4 | 6.5° | 5.3° |
CAO | NAL | CAP | H4 | 180.0° | 180.0° |
CAO | NAL | CAP | CAK | 163.9° | 33.5° |
CAO | NAL | CAP | CAI | 22.5° | 146.3° |
NAL | CAO | CAG | H3 | 178.2° | 0.0° |
OAD | CAO | NAL | CAP | 9.6° | 5.3° |
OAD | CAO | CAG | H3 | 1.1° | 180.0° |
OAD | CAO | NAL | H4 | 170.5° | 174.7° |
NAL | CAP | CAK | CAI | 174.0° | 179.8° |
NAL | CAP | CAK | CAQ | 176.8° | 180.0° |
NAL | CAP | CAI | CAH | 175.7° | 180.0° |
NAL | CAP | CAK | H5 | 3.2° | 0.0° |
NAL | CAP | CAI | H6 | 4.2° | 0.0° |
CAP | CAK | CAQ | H5 | 180.0° | 180.0° |
CAK | CAP | CAI | CAH | 2.4° | 0.3° |
CAP | CAK | CAQ | CAN | 178.3° | 180.0° |
CAP | CAK | CAQ | CAJ | 1.4° | 0.0° |
CAK | CAP | NAL | H4 | 16.1° | 146.6° |
CAK | CAP | CAI | H6 | 177.5° | 179.7° |
CAI | CAP | CAK | CAQ | 2.8° | 0.2° |
CAP | CAI | CAH | H6 | 180.0° | 180.0° |
CAP | CAI | CAH | CAJ | 0.7° | 0.1° |
CAI | CAP | NAL | H4 | 157.4° | 33.7° |
CAI | CAP | CAK | H5 | 177.2° | 179.7° |
CAP | CAI | CAH | H7 | 179.2° | 179.9° |
CAK | CAQ | CAN | NAA | 29.1° | 180.0° |
CAK | CAQ | CAN | CAJ | 179.7° | 180.0° |
CAK | CAQ | CAN | OAC | 153.3° | 0.0° |
CAK | CAQ | CAJ | CAH | 0.3° | 0.2° |
CAK | CAQ | CAJ | H8 | 179.7° | 180.0° |
NAA | CAN | CAQ | OAC | 177.6° | 180.0° |
NAA | CAN | CAQ | CAJ | 151.2° | 0.0° |
CAN | NAA | H9 | H10 | 180.0° | 180.0° |
CAI | CAH | CAJ | CAQ | 0.6° | 0.2° |
CAI | CAH | CAJ | H7 | 180.0° | 179.9° |
CAI | CAH | CAJ | H8 | 179.4° | 180.0° |
CAN | CAQ | CAJ | CAH | 180.0° | 179.8° |
CAN | CAQ | CAK | H5 | 1.7° | 0.0° |
CAN | CAQ | CAJ | H8 | 0.0° | 0.0° |
CAQ | CAN | NAA | H9 | 177.5° | 0.0° |
CAQ | CAN | NAA | H10 | 2.5° | 180.0° |
CAJ | CAQ | CAN | OAC | 26.4° | 180.0° |
CAQ | CAJ | CAH | H8 | 180.0° | 179.8° |
CAJ | CAQ | CAK | H5 | 178.6° | 180.0° |
CAQ | CAJ | CAH | H7 | 179.4° | 179.7° |
OAC | CAN | NAA | H9 | 0.0° | 180.0° |
OAC | CAN | NAA | H10 | 180.0° | 0.0° |
CAJ | CAH | CAI | H6 | 179.2° | 179.9° |
H2 | CAF | CAG | H3 | 179.8° | 180.0° |
H6 | CAI | CAH | H7 | 0.8° | 0.1° |
H7 | CAH | CAJ | H8 | 0.6° | 0.1° |