0OL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.41Å | Aromatic |
| CAB | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAM | doub | 1.40Å | 1.40Å | Aromatic |
| CAD | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | CAF | sing | 1.40Å | 1.40Å | Aromatic |
| CAM | CAL | sing | 1.48Å | 1.55Å | |
| CAL | OAA | doub | 1.22Å | 1.23Å | |
| CAL | NAN | sing | 1.35Å | 1.39Å | |
| CAK | NAN | sing | 1.47Å | 1.51Å | |
| CAK | CAI | sing | 1.53Å | 1.56Å | |
| NAN | CAJ | sing | 1.47Å | 1.52Å | |
| CAI | CAG | sing | 1.53Å | 1.54Å | |
| CAJ | CAH | sing | 1.53Å | 1.56Å | |
| CAH | CAG | sing | 1.53Å | 1.54Å | |
| CAJ | H1 | sing | 1.09Å | 1.10Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAH | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.09Å | 1.10Å | |
| CAK | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CAE | H11 | sing | 1.08Å | 1.08Å | |
| CAC | H12 | sing | 1.08Å | 1.08Å | |
| CAB | H13 | sing | 1.08Å | 1.08Å | |
| CAD | H14 | sing | 1.08Å | 1.08Å | |
| CAF | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAC | CAE | 121.3° | 120.2° |
| CAC | CAB | CAD | 118.3° | 120.3° |
| CAB | CAC | H12 | 119.3° | 119.9° |
| CAC | CAB | H13 | 120.8° | 119.8° |
| CAC | CAE | CAM | 120.3° | 119.8° |
| CAC | CAE | H11 | 119.9° | 120.1° |
| CAE | CAC | H12 | 119.4° | 119.9° |
| CAB | CAD | CAF | 121.2° | 120.2° |
| CAD | CAB | H13 | 120.9° | 119.9° |
| CAB | CAD | H14 | 119.4° | 119.9° |
| CAE | CAM | CAF | 118.6° | 119.7° |
| CAE | CAM | CAL | 119.9° | 120.1° |
| CAM | CAE | H11 | 119.8° | 120.0° |
| CAD | CAF | CAM | 120.4° | 119.9° |
| CAF | CAD | H14 | 119.4° | 120.0° |
| CAD | CAF | H15 | 119.8° | 120.0° |
| CAF | CAM | CAL | 121.6° | 120.2° |
| CAM | CAF | H15 | 119.8° | 120.1° |
| CAM | CAL | OAA | 116.0° | 120.0° |
| CAM | CAL | NAN | 124.7° | 120.0° |
| OAA | CAL | NAN | 119.2° | 120.0° |
| CAL | NAN | CAK | 120.9° | 120.6° |
| CAL | NAN | CAJ | 118.5° | 120.7° |
| NAN | CAK | CAI | 117.5° | 108.8° |
| CAK | NAN | CAJ | 120.5° | 118.7° |
| NAN | CAK | H9 | 107.4° | 109.6° |
| NAN | CAK | H10 | 107.4° | 109.6° |
| CAK | CAI | CAG | 113.3° | 109.3° |
| CAK | CAI | H7 | 108.5° | 109.5° |
| CAK | CAI | H8 | 108.5° | 109.5° |
| CAI | CAK | H9 | 107.5° | 109.6° |
| CAI | CAK | H10 | 107.4° | 109.6° |
| NAN | CAJ | CAH | 115.9° | 108.8° |
| NAN | CAJ | H1 | 107.9° | 109.6° |
| NAN | CAJ | H2 | 107.9° | 109.7° |
| CAI | CAG | CAH | 109.1° | 109.5° |
| CAI | CAG | H5 | 109.6° | 109.5° |
| CAI | CAG | H6 | 109.5° | 109.5° |
| CAG | CAI | H7 | 108.5° | 109.6° |
| CAG | CAI | H8 | 108.5° | 109.5° |
| CAJ | CAH | CAG | 113.9° | 109.3° |
| CAH | CAJ | H1 | 107.8° | 109.6° |
| CAH | CAJ | H2 | 107.8° | 109.6° |
| CAJ | CAH | H3 | 108.3° | 109.5° |
| CAJ | CAH | H4 | 108.4° | 109.5° |
| CAG | CAH | H3 | 108.3° | 109.5° |
| CAG | CAH | H4 | 108.4° | 109.5° |
| CAH | CAG | H5 | 109.6° | 109.4° |
| CAH | CAG | H6 | 109.6° | 109.4° |
| H1 | CAJ | H2 | 109.5° | 109.5° |
| H3 | CAH | H4 | 109.5° | 109.5° |
| H5 | CAG | H6 | 109.5° | 109.5° |
| H7 | CAI | H8 | 109.5° | 109.4° |
| H9 | CAK | H10 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAC | CAE | H12 | 180.0° | 179.9° |
| CAC | CAB | CAD | H13 | 180.0° | 180.0° |
| CAB | CAC | CAE | CAM | 1.0° | 0.1° |
| CAC | CAB | CAD | CAF | 0.4° | 0.0° |
| CAB | CAC | CAE | H11 | 179.0° | 179.9° |
| CAC | CAB | CAD | H14 | 179.6° | 180.0° |
| CAE | CAC | CAB | CAD | 0.2° | 0.1° |
| CAC | CAE | CAM | H11 | 180.0° | 180.0° |
| CAC | CAE | CAM | CAF | 2.1° | 0.0° |
| CAC | CAE | CAM | CAL | 178.6° | 179.7° |
| CAE | CAC | CAB | H13 | 179.8° | 179.9° |
| CAB | CAD | CAF | H14 | 180.0° | 180.0° |
| CAB | CAD | CAF | CAM | 1.5° | 0.1° |
| CAD | CAB | CAC | H12 | 179.8° | 179.9° |
| CAB | CAD | CAF | H15 | 178.5° | 179.7° |
| CAE | CAM | CAF | CAD | 2.3° | 0.1° |
| CAE | CAM | CAF | CAL | 179.3° | 179.7° |
| CAE | CAM | CAL | OAA | 65.7° | 129.1° |
| CAE | CAM | CAL | NAN | 110.6° | 50.8° |
| CAM | CAE | CAC | H12 | 179.0° | 179.9° |
| CAE | CAM | CAF | H15 | 177.7° | 179.7° |
| CAD | CAF | CAM | H15 | 180.0° | 179.8° |
| CAD | CAF | CAM | CAL | 178.4° | 179.8° |
| CAF | CAD | CAB | H13 | 179.6° | 180.0° |
| CAF | CAM | CAL | OAA | 113.6° | 50.6° |
| CAF | CAM | CAL | NAN | 70.1° | 129.5° |
| CAF | CAM | CAE | H11 | 177.9° | 180.0° |
| CAM | CAF | CAD | H14 | 178.5° | 179.9° |
| CAM | CAL | OAA | NAN | 176.5° | 179.9° |
| CAM | CAL | NAN | CAK | 2.2° | 3.8° |
| CAM | CAL | NAN | CAJ | 179.4° | 176.1° |
| CAL | CAM | CAE | H11 | 1.3° | 0.3° |
| CAL | CAM | CAF | H15 | 1.5° | 0.0° |
| OAA | CAL | NAN | CAK | 178.3° | 176.2° |
| OAA | CAL | NAN | CAJ | 4.4° | 3.9° |
| CAL | NAN | CAK | CAJ | 177.2° | 179.9° |
| CAL | NAN | CAK | CAI | 169.6° | 126.4° |
| CAL | NAN | CAJ | CAH | 168.7° | 126.3° |
| CAL | NAN | CAJ | H1 | 47.8° | 113.8° |
| CAL | NAN | CAJ | H2 | 70.4° | 6.4° |
| CAL | NAN | CAK | H9 | 69.3° | 6.5° |
| CAL | NAN | CAK | H10 | 48.4° | 113.9° |
| NAN | CAK | CAI | H9 | 121.1° | 119.8° |
| NAN | CAK | CAI | H10 | 121.2° | 119.8° |
| NAN | CAK | CAI | CAG | 35.1° | 54.7° |
| CAK | NAN | CAJ | CAH | 14.0° | 53.6° |
| CAK | NAN | CAJ | H1 | 134.9° | 66.3° |
| CAK | NAN | CAJ | H2 | 106.9° | 173.5° |
| NAN | CAK | CAI | H7 | 155.6° | 65.4° |
| NAN | CAK | CAI | H8 | 85.5° | 174.6° |
| NAN | CAK | H9 | H10 | 116.4° | 120.3° |
| CAI | CAK | NAN | CAJ | 13.2° | 53.6° |
| CAK | CAI | CAG | H7 | 120.6° | 120.0° |
| CAK | CAI | CAG | H8 | 120.6° | 120.0° |
| CAK | CAI | CAG | CAH | 56.7° | 61.4° |
| CAK | CAI | CAG | H5 | 63.3° | 178.6° |
| CAK | CAI | CAG | H6 | 176.6° | 58.6° |
| CAK | CAI | H7 | H8 | 118.2° | 120.1° |
| CAI | CAK | H9 | H10 | 116.4° | 120.4° |
| NAN | CAJ | CAH | H1 | 121.0° | 119.8° |
| NAN | CAJ | CAH | H2 | 120.9° | 120.0° |
| NAN | CAJ | CAH | CAG | 36.9° | 54.6° |
| NAN | CAJ | H1 | H2 | 117.1° | 120.4° |
| NAN | CAJ | CAH | H3 | 83.7° | 65.3° |
| NAN | CAJ | CAH | H4 | 157.6° | 174.6° |
| CAJ | NAN | CAK | H9 | 107.9° | 173.4° |
| CAJ | NAN | CAK | H10 | 134.4° | 66.2° |
| CAI | CAG | CAH | CAJ | 58.2° | 61.4° |
| CAI | CAG | CAH | H5 | 120.0° | 120.0° |
| CAI | CAG | CAH | H6 | 119.9° | 120.0° |
| CAI | CAG | CAH | H3 | 62.4° | 58.5° |
| CAI | CAG | CAH | H4 | 178.9° | 178.7° |
| CAI | CAG | H5 | H6 | 120.1° | 120.0° |
| CAG | CAI | H7 | H8 | 118.3° | 120.0° |
| CAG | CAI | CAK | H9 | 86.1° | 174.5° |
| CAG | CAI | CAK | H10 | 156.2° | 65.1° |
| CAJ | CAH | CAG | H3 | 120.6° | 119.9° |
| CAJ | CAH | CAG | H4 | 120.7° | 120.0° |
| CAH | CAJ | H1 | H2 | 117.0° | 120.3° |
| CAJ | CAH | H3 | H4 | 118.0° | 120.1° |
| CAJ | CAH | CAG | H5 | 61.7° | 178.6° |
| CAJ | CAH | CAG | H6 | 178.1° | 58.7° |
| CAG | CAH | CAJ | H1 | 157.9° | 65.2° |
| CAG | CAH | CAJ | H2 | 84.0° | 174.6° |
| CAG | CAH | H3 | H4 | 118.0° | 120.1° |
| CAH | CAG | H5 | H6 | 120.2° | 119.9° |
| CAH | CAG | CAI | H7 | 177.2° | 58.6° |
| CAH | CAG | CAI | H8 | 63.9° | 178.6° |
| H1 | CAJ | CAH | H3 | 37.3° | 174.9° |
| H1 | CAJ | CAH | H4 | 81.4° | 54.7° |
| H2 | CAJ | CAH | H3 | 155.4° | 54.7° |
| H2 | CAJ | CAH | H4 | 36.7° | 65.5° |
| H3 | CAH | CAG | H5 | 177.6° | 61.5° |
| H3 | CAH | CAG | H6 | 57.5° | 178.6° |
| H4 | CAH | CAG | H5 | 59.0° | 58.6° |
| H4 | CAH | CAG | H6 | 61.2° | 61.3° |
| H5 | CAG | CAI | H7 | 57.3° | 61.4° |
| H5 | CAG | CAI | H8 | 176.1° | 58.6° |
| H6 | CAG | CAI | H7 | 62.8° | 178.6° |
| H6 | CAG | CAI | H8 | 56.1° | 61.4° |
| H7 | CAI | CAK | H9 | 34.5° | 54.4° |
| H7 | CAI | CAK | H10 | 83.2° | 174.8° |
| H8 | CAI | CAK | H9 | 153.3° | 65.6° |
| H8 | CAI | CAK | H10 | 35.6° | 54.8° |
| H11 | CAE | CAC | H12 | 1.0° | 0.1° |
| H12 | CAC | CAB | H13 | 0.2° | 0.1° |
| H13 | CAB | CAD | H14 | 0.4° | 0.0° |
| H14 | CAD | CAF | H15 | 1.5° | 0.3° |
