0RU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAC | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | NAK | sing | 1.32Å | 1.35Å | Aromatic |
| CAC | CAE | sing | 1.39Å | 1.40Å | Aromatic |
| NAK | CAQ | doub | 1.33Å | 1.34Å | Aromatic |
| CAE | NAJ | doub | 1.32Å | 1.36Å | Aromatic |
| CAQ | NAJ | sing | 1.33Å | 1.34Å | Aromatic |
| CAQ | SAN | sing | 1.76Å | 1.78Å | |
| SAN | CAI | sing | 1.81Å | 1.78Å | |
| CAI | CAP | sing | 1.51Å | 1.48Å | |
| CAP | NAL | sing | 1.34Å | 1.35Å | |
| CAP | NAM | doub | 1.30Å | 1.35Å | |
| NAL | CAT | sing | 1.38Å | 1.38Å | |
| NAM | CAR | sing | 1.35Å | 1.34Å | |
| CAA | CAO | sing | 1.51Å | 1.48Å | |
| CAT | CAO | doub | 1.39Å | 1.43Å | Aromatic |
| CAT | CAS | sing | 1.41Å | 1.37Å | Aromatic |
| CAR | CAS | sing | 1.47Å | 1.44Å | |
| CAR | OAB | doub | 1.22Å | 1.39Å | |
| CAO | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| CAS | CAH | doub | 1.39Å | 1.40Å | Aromatic |
| CAG | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAI | H5 | sing | 1.09Å | 1.10Å | |
| NAL | H6 | sing | 0.97Å | 1.00Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| CAD | H11 | sing | 1.08Å | 1.08Å | |
| CAH | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAF | NAK | 119.4° | 119.1° |
| CAF | CAC | CAE | 119.1° | 118.6° |
| CAF | CAC | H2 | 120.4° | 120.7° |
| CAC | CAF | H3 | 120.3° | 120.4° |
| CAF | NAK | CAQ | 119.7° | 120.8° |
| NAK | CAF | H3 | 120.3° | 120.4° |
| CAC | CAE | NAJ | 118.9° | 119.2° |
| CAC | CAE | H1 | 120.5° | 120.4° |
| CAE | CAC | H2 | 120.4° | 120.7° |
| NAK | CAQ | NAJ | 122.9° | 121.5° |
| NAK | CAQ | SAN | 117.7° | 119.2° |
| CAE | NAJ | CAQ | 119.9° | 120.8° |
| NAJ | CAE | H1 | 120.5° | 120.4° |
| NAJ | CAQ | SAN | 119.4° | 119.2° |
| CAQ | SAN | CAI | 108.1° | 100.0° |
| SAN | CAI | CAP | 118.4° | 109.5° |
| SAN | CAI | H4 | 107.2° | 109.4° |
| SAN | CAI | H5 | 107.2° | 109.5° |
| CAI | CAP | NAL | 119.0° | 118.3° |
| CAI | CAP | NAM | 119.2° | 118.3° |
| CAP | CAI | H4 | 107.2° | 109.5° |
| CAP | CAI | H5 | 107.2° | 109.5° |
| NAL | CAP | NAM | 121.7° | 123.4° |
| CAP | NAL | CAT | 120.2° | 120.5° |
| CAP | NAL | H6 | 119.9° | 119.8° |
| CAP | NAM | CAR | 120.7° | 121.8° |
| NAL | CAT | CAO | 120.8° | 122.0° |
| NAL | CAT | CAS | 119.4° | 118.4° |
| CAT | NAL | H6 | 119.9° | 119.7° |
| NAM | CAR | CAS | 118.9° | 118.1° |
| NAM | CAR | OAB | 120.7° | 121.0° |
| CAA | CAO | CAT | 119.9° | 120.2° |
| CAA | CAO | CAG | 120.2° | 120.1° |
| CAO | CAA | H7 | 109.5° | 109.5° |
| CAO | CAA | H8 | 109.5° | 109.5° |
| CAO | CAA | H9 | 109.5° | 109.5° |
| CAO | CAT | CAS | 119.9° | 119.6° |
| CAT | CAO | CAG | 119.9° | 119.7° |
| CAT | CAS | CAR | 119.1° | 117.8° |
| CAT | CAS | CAH | 120.3° | 120.0° |
| CAS | CAR | OAB | 120.4° | 120.9° |
| CAR | CAS | CAH | 120.6° | 122.1° |
| CAO | CAG | CAD | 119.9° | 120.7° |
| CAO | CAG | H10 | 120.0° | 119.7° |
| CAS | CAH | CAD | 119.6° | 119.5° |
| CAS | CAH | H12 | 120.2° | 120.2° |
| CAG | CAD | CAH | 120.4° | 120.5° |
| CAD | CAG | H10 | 120.0° | 119.6° |
| CAG | CAD | H11 | 119.8° | 119.8° |
| CAH | CAD | H11 | 119.8° | 119.8° |
| CAD | CAH | H12 | 120.2° | 120.3° |
| H4 | CAI | H5 | 109.5° | 109.5° |
| H7 | CAA | H8 | 109.5° | 109.4° |
| H7 | CAA | H9 | 109.4° | 109.4° |
| H8 | CAA | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAF | NAK | H3 | 180.0° | 180.0° |
| CAF | CAC | CAE | H2 | 180.0° | 179.9° |
| CAC | CAF | NAK | CAQ | 0.1° | 0.1° |
| CAF | CAC | CAE | NAJ | 0.3° | 0.0° |
| CAF | CAC | CAE | H1 | 179.7° | 179.9° |
| NAK | CAF | CAC | CAE | 0.1° | 0.0° |
| CAF | NAK | CAQ | NAJ | 0.0° | 0.1° |
| CAF | NAK | CAQ | SAN | 180.0° | 180.0° |
| NAK | CAF | CAC | H2 | 179.9° | 180.0° |
| CAC | CAE | NAJ | H1 | 180.0° | 179.9° |
| CAC | CAE | NAJ | CAQ | 0.3° | 0.0° |
| CAE | CAC | CAF | H3 | 179.9° | 180.0° |
| NAK | CAQ | NAJ | CAE | 0.2° | 0.1° |
| NAK | CAQ | NAJ | SAN | 180.0° | 179.9° |
| NAK | CAQ | SAN | CAI | 27.3° | 180.0° |
| CAQ | NAK | CAF | H3 | 179.9° | 179.9° |
| CAE | NAJ | CAQ | SAN | 179.8° | 180.0° |
| NAJ | CAE | CAC | H2 | 179.7° | 179.9° |
| NAJ | CAQ | SAN | CAI | 152.6° | 0.1° |
| CAQ | NAJ | CAE | H1 | 179.7° | 179.9° |
| CAQ | SAN | CAI | CAP | 112.6° | 180.0° |
| CAQ | SAN | CAI | H4 | 8.7° | 60.0° |
| CAQ | SAN | CAI | H5 | 126.1° | 59.9° |
| SAN | CAI | CAP | H4 | 121.3° | 119.9° |
| SAN | CAI | CAP | H5 | 121.3° | 120.0° |
| SAN | CAI | CAP | NAL | 32.6° | 180.0° |
| SAN | CAI | CAP | NAM | 147.2° | 0.3° |
| SAN | CAI | H4 | H5 | 116.0° | 120.0° |
| CAI | CAP | NAL | NAM | 179.9° | 179.6° |
| CAI | CAP | NAL | CAT | 179.9° | 180.0° |
| CAI | CAP | NAM | CAR | 179.9° | 179.8° |
| CAP | CAI | H4 | H5 | 115.9° | 120.0° |
| CAI | CAP | NAL | H6 | 0.1° | 0.1° |
| CAP | NAL | CAT | H6 | 180.0° | 179.9° |
| NAL | CAP | NAM | CAR | 0.0° | 0.5° |
| CAP | NAL | CAT | CAO | 180.0° | 180.0° |
| CAP | NAL | CAT | CAS | 0.4° | 0.1° |
| NAL | CAP | CAI | H4 | 153.9° | 60.1° |
| NAL | CAP | CAI | H5 | 88.7° | 59.9° |
| NAM | CAP | NAL | CAT | 0.2° | 0.4° |
| CAP | NAM | CAR | CAS | 0.0° | 0.5° |
| CAP | NAM | CAR | OAB | 180.0° | 179.7° |
| NAM | CAP | CAI | H4 | 26.0° | 120.3° |
| NAM | CAP | CAI | H5 | 91.5° | 119.7° |
| NAM | CAP | NAL | H6 | 179.8° | 179.7° |
| NAL | CAT | CAO | CAA | 0.2° | 0.1° |
| NAL | CAT | CAO | CAS | 179.6° | 179.9° |
| NAL | CAT | CAS | CAR | 0.3° | 0.1° |
| NAL | CAT | CAO | CAG | 179.8° | 179.9° |
| NAL | CAT | CAS | CAH | 179.8° | 180.0° |
| NAM | CAR | CAS | CAT | 0.1° | 0.2° |
| NAM | CAR | CAS | OAB | 180.0° | 179.8° |
| NAM | CAR | CAS | CAH | 180.0° | 179.9° |
| CAA | CAO | CAT | CAG | 180.0° | 180.0° |
| CAA | CAO | CAT | CAS | 179.8° | 180.0° |
| CAA | CAO | CAG | CAD | 179.9° | 180.0° |
| CAO | CAA | H7 | H8 | 120.0° | 120.0° |
| CAO | CAA | H7 | H9 | 120.0° | 120.0° |
| CAO | CAA | H8 | H9 | 120.0° | 120.1° |
| CAA | CAO | CAG | H10 | 0.1° | 0.0° |
| CAO | CAT | CAS | CAR | 179.9° | 180.0° |
| CAO | CAT | CAS | CAH | 0.2° | 0.1° |
| CAT | CAO | CAG | CAD | 0.1° | 0.0° |
| CAO | CAT | NAL | H6 | 0.1° | 0.1° |
| CAT | CAO | CAA | H7 | 90.0° | 90.0° |
| CAT | CAO | CAA | H8 | 150.0° | 150.0° |
| CAT | CAO | CAA | H9 | 30.0° | 29.9° |
| CAT | CAO | CAG | H10 | 179.9° | 180.0° |
| CAT | CAS | CAR | CAH | 179.9° | 179.9° |
| CAT | CAS | CAR | OAB | 179.9° | 180.0° |
| CAS | CAT | CAO | CAG | 0.2° | 0.1° |
| CAT | CAS | CAH | CAD | 0.2° | 0.1° |
| CAS | CAT | NAL | H6 | 179.7° | 180.0° |
| CAT | CAS | CAH | H12 | 179.8° | 180.0° |
| CAR | CAS | CAH | CAD | 180.0° | 180.0° |
| CAR | CAS | CAH | H12 | 0.0° | 0.0° |
| OAB | CAR | CAS | CAH | 0.0° | 0.0° |
| CAO | CAG | CAD | H10 | 180.0° | 180.0° |
| CAO | CAG | CAD | CAH | 0.0° | 0.0° |
| CAG | CAO | CAA | H7 | 90.0° | 90.0° |
| CAG | CAO | CAA | H8 | 30.0° | 30.0° |
| CAG | CAO | CAA | H9 | 150.0° | 150.1° |
| CAO | CAG | CAD | H11 | 180.0° | 180.0° |
| CAS | CAH | CAD | CAG | 0.1° | 0.1° |
| CAS | CAH | CAD | H12 | 180.0° | 179.9° |
| CAS | CAH | CAD | H11 | 179.9° | 180.0° |
| CAG | CAD | CAH | H11 | 180.0° | 180.0° |
| CAG | CAD | CAH | H12 | 179.9° | 180.0° |
| CAH | CAD | CAG | H10 | 180.0° | 180.0° |
| H1 | CAE | CAC | H2 | 0.3° | 0.0° |
| H2 | CAC | CAF | H3 | 0.1° | 0.1° |
| H7 | CAA | H8 | H9 | 120.0° | 119.9° |
| H10 | CAG | CAD | H11 | 0.0° | 0.0° |
| H11 | CAD | CAH | H12 | 0.1° | 0.0° |
