0LV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAH | sing | 1.52Å | 1.52Å | |
| CAK | CAL | doub | 1.39Å | 1.42Å | Aromatic |
| CAH | CAM | sing | 1.55Å | 1.51Å | |
| CAB | CAM | sing | 1.53Å | 1.54Å | |
| CAJ | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAG | sing | 1.51Å | 1.54Å | |
| CAL | OAI | sing | 1.36Å | 1.41Å | |
| CAM | OAI | sing | 1.44Å | 1.43Å | |
| CAM | CAA | sing | 1.53Å | 1.54Å | |
| CAG | OAC | sing | 1.43Å | 1.45Å | |
| CAH | H1 | sing | 1.09Å | 1.10Å | |
| CAH | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAD | H10 | sing | 1.08Å | 1.08Å | |
| CAE | H11 | sing | 1.08Å | 1.08Å | |
| CAG | H12 | sing | 1.09Å | 1.10Å | |
| CAG | H13 | sing | 1.09Å | 1.10Å | |
| OAC | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAD | CAE | 117.7° | 119.7° |
| CAD | CAF | CAK | 119.9° | 120.0° |
| CAD | CAF | H9 | 120.1° | 120.0° |
| CAF | CAD | H10 | 121.1° | 120.2° |
| CAD | CAE | CAJ | 123.3° | 120.4° |
| CAE | CAD | H10 | 121.2° | 120.1° |
| CAD | CAE | H11 | 118.3° | 119.8° |
| CAF | CAK | CAH | 136.1° | 132.2° |
| CAF | CAK | CAL | 122.2° | 120.8° |
| CAK | CAF | H9 | 120.1° | 120.0° |
| CAE | CAJ | CAL | 119.1° | 120.3° |
| CAE | CAJ | CAG | 117.6° | 119.9° |
| CAJ | CAE | H11 | 118.4° | 119.8° |
| CAH | CAK | CAL | 101.6° | 107.0° |
| CAK | CAH | CAM | 94.4° | 101.9° |
| CAK | CAH | H1 | 113.1° | 110.9° |
| CAK | CAH | H2 | 113.1° | 111.0° |
| CAK | CAL | CAJ | 117.6° | 118.8° |
| CAK | CAL | OAI | 109.3° | 111.3° |
| CAH | CAM | CAB | 113.7° | 110.7° |
| CAH | CAM | OAI | 96.8° | 102.8° |
| CAH | CAM | CAA | 111.3° | 110.8° |
| CAM | CAH | H1 | 113.1° | 110.9° |
| CAM | CAH | H2 | 113.1° | 111.0° |
| CAB | CAM | OAI | 111.9° | 110.7° |
| CAB | CAM | CAA | 110.8° | 110.8° |
| CAM | CAB | H6 | 109.5° | 109.5° |
| CAM | CAB | H7 | 109.5° | 109.5° |
| CAM | CAB | H8 | 109.5° | 109.5° |
| CAL | CAJ | CAG | 123.1° | 119.9° |
| CAJ | CAL | OAI | 132.8° | 129.9° |
| CAJ | CAG | OAC | 113.3° | 109.5° |
| CAJ | CAG | H12 | 108.5° | 109.5° |
| CAJ | CAG | H13 | 108.5° | 109.4° |
| CAL | OAI | CAM | 96.1° | 109.3° |
| OAI | CAM | CAA | 111.7° | 110.8° |
| CAM | CAA | H3 | 109.5° | 109.5° |
| CAM | CAA | H4 | 109.5° | 109.5° |
| CAM | CAA | H5 | 109.5° | 109.5° |
| OAC | CAG | H12 | 108.5° | 109.5° |
| OAC | CAG | H13 | 108.5° | 109.5° |
| CAG | OAC | H14 | 109.5° | 114.0° |
| H1 | CAH | H2 | 109.5° | 110.8° |
| H3 | CAA | H4 | 109.4° | 109.5° |
| H3 | CAA | H5 | 109.4° | 109.5° |
| H4 | CAA | H5 | 109.5° | 109.4° |
| H6 | CAB | H7 | 109.5° | 109.4° |
| H6 | CAB | H8 | 109.4° | 109.4° |
| H7 | CAB | H8 | 109.4° | 109.5° |
| H12 | CAG | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAD | CAE | H10 | 180.0° | 179.9° |
| CAD | CAF | CAK | H9 | 180.0° | 179.9° |
| CAF | CAD | CAE | CAJ | 1.5° | 0.2° |
| CAD | CAF | CAK | CAH | 176.9° | 179.6° |
| CAD | CAF | CAK | CAL | 0.4° | 0.3° |
| CAF | CAD | CAE | H11 | 178.5° | 179.8° |
| CAE | CAD | CAF | CAK | 1.0° | 0.0° |
| CAD | CAE | CAJ | H11 | 180.0° | 180.0° |
| CAD | CAE | CAJ | CAL | 4.7° | 0.0° |
| CAD | CAE | CAJ | CAG | 179.1° | 179.9° |
| CAE | CAD | CAF | H9 | 179.0° | 180.0° |
| CAF | CAK | CAH | CAL | 177.0° | 179.9° |
| CAF | CAK | CAH | CAM | 148.1° | 164.3° |
| CAF | CAK | CAL | CAJ | 2.7° | 0.5° |
| CAF | CAK | CAL | OAI | 177.1° | 179.4° |
| CAF | CAK | CAH | H1 | 30.7° | 77.6° |
| CAF | CAK | CAH | H2 | 94.5° | 46.1° |
| CAK | CAF | CAD | H10 | 178.9° | 179.9° |
| CAE | CAJ | CAL | CAK | 5.1° | 0.3° |
| CAE | CAJ | CAL | CAG | 174.2° | 180.0° |
| CAE | CAJ | CAL | OAI | 177.8° | 179.5° |
| CAE | CAJ | CAG | OAC | 160.1° | 0.0° |
| CAJ | CAE | CAD | H10 | 178.5° | 179.8° |
| CAE | CAJ | CAG | H12 | 39.5° | 120.0° |
| CAE | CAJ | CAG | H13 | 79.4° | 120.0° |
| CAK | CAH | CAM | H1 | 117.4° | 118.1° |
| CAK | CAH | CAM | H2 | 117.4° | 118.2° |
| CAK | CAH | CAM | CAB | 58.4° | 92.9° |
| CAH | CAK | CAL | CAJ | 174.8° | 179.4° |
| CAH | CAK | CAL | OAI | 0.4° | 0.7° |
| CAK | CAH | CAM | OAI | 59.1° | 25.3° |
| CAK | CAH | CAM | CAA | 175.6° | 143.7° |
| CAK | CAH | H1 | H2 | 127.1° | 123.8° |
| CAH | CAK | CAF | H9 | 3.1° | 0.4° |
| CAL | CAK | CAH | CAM | 34.9° | 15.7° |
| CAK | CAL | CAJ | OAI | 172.8° | 179.9° |
| CAK | CAL | CAJ | CAG | 179.2° | 179.6° |
| CAK | CAL | OAI | CAM | 37.9° | 18.6° |
| CAL | CAK | CAH | H1 | 152.4° | 102.5° |
| CAL | CAK | CAH | H2 | 82.5° | 133.8° |
| CAL | CAK | CAF | H9 | 179.6° | 179.6° |
| CAH | CAM | CAB | OAI | 108.4° | 113.3° |
| CAH | CAM | CAB | CAA | 126.3° | 123.3° |
| CAH | CAM | OAI | CAL | 60.0° | 27.5° |
| CAH | CAM | OAI | CAA | 116.2° | 118.4° |
| CAM | CAH | H1 | H2 | 127.1° | 123.7° |
| CAH | CAM | CAA | H3 | 180.0° | 60.0° |
| CAH | CAM | CAA | H4 | 60.0° | 180.0° |
| CAH | CAM | CAA | H5 | 60.0° | 60.0° |
| CAH | CAM | CAB | H6 | 180.0° | 60.0° |
| CAH | CAM | CAB | H7 | 60.0° | 180.0° |
| CAH | CAM | CAB | H8 | 60.0° | 60.0° |
| CAB | CAM | OAI | CAL | 59.0° | 90.7° |
| CAB | CAM | OAI | CAA | 124.8° | 123.4° |
| CAB | CAM | CAH | H1 | 59.0° | 148.9° |
| CAB | CAM | CAH | H2 | 175.8° | 25.3° |
| CAB | CAM | CAA | H3 | 52.4° | 176.7° |
| CAB | CAM | CAA | H4 | 67.5° | 56.7° |
| CAB | CAM | CAA | H5 | 172.4° | 63.3° |
| CAM | CAB | H6 | H7 | 120.0° | 120.0° |
| CAM | CAB | H6 | H8 | 120.0° | 120.0° |
| CAM | CAB | H7 | H8 | 120.0° | 120.1° |
| CAJ | CAL | OAI | CAM | 148.9° | 161.5° |
| CAL | CAJ | CAG | OAC | 25.7° | 180.0° |
| CAL | CAJ | CAE | H11 | 175.3° | 180.0° |
| CAL | CAJ | CAG | H12 | 146.3° | 60.0° |
| CAL | CAJ | CAG | H13 | 94.9° | 60.0° |
| CAG | CAJ | CAL | OAI | 8.0° | 0.5° |
| CAJ | CAG | OAC | H12 | 120.6° | 120.0° |
| CAJ | CAG | OAC | H13 | 120.5° | 120.0° |
| CAG | CAJ | CAE | H11 | 0.9° | 0.0° |
| CAJ | CAG | H12 | H13 | 118.2° | 120.0° |
| CAJ | CAG | OAC | H14 | 180.0° | 180.0° |
| CAL | OAI | CAM | CAA | 176.2° | 145.9° |
| OAI | CAM | CAH | H1 | 176.6° | 92.8° |
| OAI | CAM | CAH | H2 | 58.3° | 143.5° |
| OAI | CAM | CAA | H3 | 73.0° | 53.4° |
| OAI | CAM | CAA | H4 | 167.0° | 66.6° |
| OAI | CAM | CAA | H5 | 47.0° | 173.4° |
| OAI | CAM | CAB | H6 | 71.6° | 173.3° |
| OAI | CAM | CAB | H7 | 48.4° | 66.7° |
| OAI | CAM | CAB | H8 | 168.4° | 53.4° |
| CAA | CAM | CAH | H1 | 67.0° | 25.6° |
| CAA | CAM | CAH | H2 | 58.2° | 98.1° |
| CAM | CAA | H3 | H4 | 120.0° | 120.0° |
| CAM | CAA | H3 | H5 | 120.0° | 120.0° |
| CAM | CAA | H4 | H5 | 120.0° | 120.0° |
| CAA | CAM | CAB | H6 | 53.7° | 63.3° |
| CAA | CAM | CAB | H7 | 173.7° | 56.6° |
| CAA | CAM | CAB | H8 | 66.3° | 176.7° |
| OAC | CAG | H12 | H13 | 118.3° | 120.0° |
| H3 | CAA | H4 | H5 | 120.0° | 120.0° |
| H6 | CAB | H7 | H8 | 119.9° | 120.0° |
| H9 | CAF | CAD | H10 | 1.1° | 0.0° |
| H10 | CAD | CAE | H11 | 1.5° | 0.2° |
| H12 | CAG | OAC | H14 | 59.4° | 60.0° |
| H13 | CAG | OAC | H14 | 59.4° | 60.1° |
