1R2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | NAT | sing | 1.22Å | 1.60Å | |
| CAH | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAS | sing | 1.38Å | 1.40Å | Aromatic |
| OAA | CAN | doub | 1.22Å | 1.26Å | |
| NAT | CAS | sing | 1.48Å | 1.37Å | |
| NAT | OAB | doub | 1.22Å | 1.52Å | |
| CAF | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAS | CAL | doub | 1.38Å | 1.41Å | Aromatic |
| CAN | CAR | sing | 1.48Å | 1.41Å | |
| CAN | OAC | sing | 1.35Å | 1.27Å | |
| CAJ | CAR | doub | 1.39Å | 1.41Å | Aromatic |
| CAJ | CAO | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAP | doub | 1.39Å | 1.40Å | Aromatic |
| CAR | CAK | sing | 1.40Å | 1.41Å | Aromatic |
| OAD | CAO | sing | 1.36Å | 1.35Å | |
| CAL | CAP | sing | 1.39Å | 1.42Å | Aromatic |
| CAO | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| CAP | OAM | sing | 1.36Å | 1.39Å | |
| CAK | CAQ | doub | 1.39Å | 1.41Å | Aromatic |
| CAI | CAQ | sing | 1.39Å | 1.40Å | Aromatic |
| CAQ | OAM | sing | 1.36Å | 1.39Å | |
| OAC | H1 | sing | 0.97Å | 0.95Å | |
| CAK | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| OAD | H4 | sing | 0.97Å | 0.95Å | |
| CAI | H5 | sing | 1.08Å | 1.08Å | |
| CAL | H6 | sing | 1.08Å | 1.08Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAF | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | NAT | CAS | 119.6° | 120.1° |
| OAE | NAT | OAB | 119.0° | 120.0° |
| CAF | CAH | CAS | 121.2° | 120.1° |
| CAH | CAF | CAG | 120.1° | 120.1° |
| CAF | CAH | H7 | 119.4° | 120.0° |
| CAH | CAF | H8 | 120.0° | 120.0° |
| CAH | CAS | NAT | 118.1° | 120.0° |
| CAH | CAS | CAL | 118.2° | 120.1° |
| CAS | CAH | H7 | 119.4° | 119.9° |
| OAA | CAN | CAR | 120.4° | 120.0° |
| OAA | CAN | OAC | 119.4° | 120.0° |
| CAS | NAT | OAB | 121.5° | 120.0° |
| NAT | CAS | CAL | 123.7° | 120.0° |
| CAF | CAG | CAP | 120.9° | 119.9° |
| CAG | CAF | H8 | 120.0° | 119.9° |
| CAF | CAG | H9 | 119.6° | 120.0° |
| CAS | CAL | CAP | 121.2° | 119.9° |
| CAS | CAL | H6 | 119.4° | 120.1° |
| CAR | CAN | OAC | 120.1° | 120.0° |
| CAN | CAR | CAJ | 121.1° | 120.1° |
| CAN | CAR | CAK | 120.6° | 120.1° |
| CAN | OAC | H1 | 109.5° | 117.0° |
| CAR | CAJ | CAO | 120.1° | 119.9° |
| CAJ | CAR | CAK | 118.3° | 119.9° |
| CAR | CAJ | H3 | 119.9° | 120.1° |
| CAJ | CAO | OAD | 119.3° | 119.9° |
| CAJ | CAO | CAI | 120.7° | 120.1° |
| CAO | CAJ | H3 | 120.0° | 120.0° |
| CAG | CAP | CAL | 118.4° | 119.9° |
| CAG | CAP | OAM | 118.3° | 120.0° |
| CAP | CAG | H9 | 119.6° | 120.1° |
| CAR | CAK | CAQ | 122.4° | 119.8° |
| CAR | CAK | H2 | 118.8° | 120.1° |
| OAD | CAO | CAI | 119.9° | 120.0° |
| CAO | OAD | H4 | 109.5° | 114.0° |
| CAL | CAP | OAM | 123.3° | 120.0° |
| CAP | CAL | H6 | 119.4° | 120.0° |
| CAO | CAI | CAQ | 120.5° | 120.2° |
| CAO | CAI | H5 | 119.8° | 119.9° |
| CAP | OAM | CAQ | 107.6° | 118.0° |
| CAK | CAQ | CAI | 118.0° | 120.1° |
| CAK | CAQ | OAM | 121.2° | 119.9° |
| CAQ | CAK | H2 | 118.8° | 120.1° |
| CAI | CAQ | OAM | 120.7° | 120.0° |
| CAQ | CAI | H5 | 119.7° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | NAT | CAS | CAH | 6.7° | 0.0° |
| OAE | NAT | CAS | OAB | 179.4° | 180.0° |
| OAE | NAT | CAS | CAL | 173.1° | 180.0° |
| CAF | CAH | CAS | H7 | 180.0° | 179.8° |
| CAF | CAH | CAS | NAT | 179.6° | 180.0° |
| CAH | CAF | CAG | H8 | 180.0° | 179.8° |
| CAF | CAH | CAS | CAL | 0.2° | 0.1° |
| CAH | CAF | CAG | CAP | 0.0° | 0.5° |
| CAH | CAF | CAG | H9 | 180.0° | 180.0° |
| CAH | CAS | NAT | CAL | 179.8° | 180.0° |
| CAH | CAS | NAT | OAB | 174.0° | 180.0° |
| CAS | CAH | CAF | CAG | 0.0° | 0.2° |
| CAH | CAS | CAL | CAP | 0.4° | 0.0° |
| CAH | CAS | CAL | H6 | 179.6° | 180.0° |
| CAS | CAH | CAF | H8 | 180.0° | 180.0° |
| OAA | CAN | CAR | OAC | 177.5° | 179.7° |
| OAA | CAN | CAR | CAJ | 28.8° | 179.7° |
| OAA | CAN | CAR | CAK | 150.6° | 0.1° |
| OAA | CAN | OAC | H1 | 0.0° | 0.1° |
| NAT | CAS | CAL | CAP | 179.3° | 180.0° |
| NAT | CAS | CAL | H6 | 0.6° | 0.0° |
| NAT | CAS | CAH | H7 | 0.4° | 0.2° |
| OAB | NAT | CAS | CAL | 6.3° | 0.0° |
| CAF | CAG | CAP | H9 | 180.0° | 179.5° |
| CAF | CAG | CAP | CAL | 0.3° | 0.5° |
| CAF | CAG | CAP | OAM | 179.0° | 179.8° |
| CAG | CAF | CAH | H7 | 180.0° | 180.0° |
| CAS | CAL | CAP | CAG | 0.5° | 0.3° |
| CAS | CAL | CAP | H6 | 180.0° | 180.0° |
| CAS | CAL | CAP | OAM | 179.2° | 180.0° |
| CAL | CAS | CAH | H7 | 179.8° | 179.7° |
| CAN | CAR | CAJ | CAK | 179.3° | 179.7° |
| CAN | CAR | CAJ | CAO | 179.2° | 180.0° |
| CAN | CAR | CAK | CAQ | 179.9° | 180.0° |
| CAR | CAN | OAC | H1 | 177.6° | 179.6° |
| CAN | CAR | CAK | H2 | 0.1° | 0.1° |
| CAN | CAR | CAJ | H3 | 0.8° | 0.0° |
| OAC | CAN | CAR | CAJ | 153.7° | 0.6° |
| OAC | CAN | CAR | CAK | 27.0° | 179.8° |
| CAR | CAJ | CAO | H3 | 180.0° | 180.0° |
| CAR | CAJ | CAO | OAD | 179.8° | 180.0° |
| CAR | CAJ | CAO | CAI | 0.6° | 0.0° |
| CAJ | CAR | CAK | CAQ | 0.5° | 0.3° |
| CAJ | CAR | CAK | H2 | 179.4° | 179.8° |
| CAO | CAJ | CAR | CAK | 0.2° | 0.3° |
| CAJ | CAO | OAD | CAI | 179.2° | 180.0° |
| CAJ | CAO | CAI | CAQ | 0.4° | 0.3° |
| CAJ | CAO | OAD | H4 | 180.0° | 90.0° |
| CAJ | CAO | CAI | H5 | 179.6° | 180.0° |
| CAG | CAP | CAL | OAM | 178.7° | 179.7° |
| CAG | CAP | OAM | CAQ | 89.6° | 5.9° |
| CAG | CAP | CAL | H6 | 179.5° | 179.8° |
| CAP | CAG | CAF | H8 | 180.0° | 179.7° |
| CAR | CAK | CAQ | H2 | 180.0° | 179.9° |
| CAR | CAK | CAQ | CAI | 0.8° | 0.0° |
| CAR | CAK | CAQ | OAM | 179.3° | 180.0° |
| CAK | CAR | CAJ | H3 | 179.9° | 179.6° |
| OAD | CAO | CAI | CAQ | 179.6° | 179.7° |
| OAD | CAO | CAJ | H3 | 0.2° | 0.0° |
| OAD | CAO | CAI | H5 | 0.4° | 0.0° |
| CAL | CAP | OAM | CAQ | 89.1° | 173.9° |
| CAL | CAP | CAG | H9 | 179.7° | 180.0° |
| CAO | CAI | CAQ | CAK | 0.3° | 0.3° |
| CAO | CAI | CAQ | H5 | 180.0° | 179.7° |
| CAO | CAI | CAQ | OAM | 178.8° | 179.7° |
| CAI | CAO | CAJ | H3 | 179.4° | 179.9° |
| CAI | CAO | OAD | H4 | 0.8° | 90.0° |
| CAP | OAM | CAQ | CAK | 70.4° | 112.6° |
| CAP | OAM | CAQ | CAI | 108.1° | 67.4° |
| OAM | CAP | CAL | H6 | 0.8° | 0.0° |
| OAM | CAP | CAG | H9 | 1.0° | 0.2° |
| CAK | CAQ | CAI | OAM | 178.5° | 180.0° |
| CAK | CAQ | CAI | H5 | 179.7° | 180.0° |
| CAI | CAQ | CAK | H2 | 179.2° | 180.0° |
| OAM | CAQ | CAK | H2 | 0.7° | 0.0° |
| OAM | CAQ | CAI | H5 | 1.2° | 0.0° |
| H7 | CAH | CAF | H8 | 0.0° | 0.3° |
| H8 | CAF | CAG | H9 | 0.0° | 0.2° |
