0LH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAH | sing | 1.53Å | 1.51Å | |
| CAI | NAL | sing | 1.46Å | 1.47Å | |
| CAH | NAA | sing | 1.47Å | 1.46Å | |
| CAE | CAC | doub | 1.38Å | 1.41Å | Aromatic |
| CAE | CAK | sing | 1.39Å | 1.42Å | Aromatic |
| NAL | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| NAL | CAG | sing | 1.37Å | 1.35Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | CAJ | doub | 1.41Å | 1.38Å | Aromatic |
| CAG | CAF | doub | 1.34Å | 1.41Å | Aromatic |
| CAB | CAD | doub | 1.37Å | 1.40Å | Aromatic |
| CAJ | CAF | sing | 1.47Å | 1.43Å | Aromatic |
| CAJ | CAD | sing | 1.40Å | 1.42Å | Aromatic |
| CAG | H1 | sing | 1.08Å | 1.08Å | |
| CAF | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAB | H4 | sing | 1.08Å | 1.08Å | |
| CAC | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.09Å | 1.10Å | |
| CAH | H9 | sing | 1.09Å | 1.10Å | |
| CAH | H10 | sing | 1.09Å | 1.10Å | |
| NAA | H11 | sing | 1.01Å | 1.00Å | |
| NAA | H12 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | CAI | NAL | 114.8° | 109.5° |
| CAI | CAH | NAA | 116.8° | 109.5° |
| CAH | CAI | H7 | 108.1° | 109.5° |
| CAH | CAI | H8 | 108.1° | 109.5° |
| CAI | CAH | H9 | 107.6° | 109.5° |
| CAI | CAH | H10 | 107.6° | 109.5° |
| CAI | NAL | CAK | 124.7° | 125.1° |
| CAI | NAL | CAG | 125.8° | 125.1° |
| NAL | CAI | H7 | 108.1° | 109.5° |
| NAL | CAI | H8 | 108.1° | 109.5° |
| NAA | CAH | H9 | 107.6° | 109.5° |
| NAA | CAH | H10 | 107.6° | 109.5° |
| CAH | NAA | H11 | 109.5° | 111.0° |
| CAH | NAA | H12 | 109.5° | 111.0° |
| CAC | CAE | CAK | 119.9° | 119.8° |
| CAE | CAC | CAB | 119.9° | 120.6° |
| CAE | CAC | H5 | 120.1° | 119.7° |
| CAC | CAE | H6 | 120.1° | 120.1° |
| CAE | CAK | NAL | 131.3° | 133.5° |
| CAE | CAK | CAJ | 120.1° | 119.3° |
| CAK | CAE | H6 | 120.0° | 120.1° |
| CAK | NAL | CAG | 109.5° | 109.9° |
| NAL | CAK | CAJ | 108.6° | 107.1° |
| NAL | CAG | CAF | 107.4° | 110.0° |
| NAL | CAG | H1 | 126.3° | 125.0° |
| CAC | CAB | CAD | 119.9° | 120.5° |
| CAC | CAB | H4 | 120.1° | 119.7° |
| CAB | CAC | H5 | 120.0° | 119.7° |
| CAK | CAJ | CAF | 106.2° | 106.1° |
| CAK | CAJ | CAD | 120.1° | 119.9° |
| CAG | CAF | CAJ | 108.1° | 107.0° |
| CAF | CAG | H1 | 126.3° | 125.0° |
| CAG | CAF | H2 | 125.9° | 126.5° |
| CAB | CAD | CAJ | 120.2° | 119.7° |
| CAB | CAD | H3 | 119.9° | 120.1° |
| CAD | CAB | H4 | 120.0° | 119.8° |
| CAF | CAJ | CAD | 133.7° | 134.0° |
| CAJ | CAF | H2 | 125.9° | 126.5° |
| CAJ | CAD | H3 | 119.9° | 120.1° |
| H7 | CAI | H8 | 109.4° | 109.4° |
| H9 | CAH | H10 | 109.5° | 109.4° |
| H11 | NAA | H12 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAI | NAL | H7 | 120.8° | 120.0° |
| CAH | CAI | NAL | H8 | 120.8° | 120.0° |
| CAI | CAH | NAA | H9 | 121.0° | 120.0° |
| CAI | CAH | NAA | H10 | 121.1° | 120.1° |
| CAH | CAI | NAL | CAK | 90.8° | 85.0° |
| CAH | CAI | NAL | CAG | 88.0° | 95.2° |
| CAH | CAI | H7 | H8 | 117.5° | 119.9° |
| CAI | CAH | H9 | H10 | 116.7° | 120.0° |
| CAI | CAH | NAA | H11 | 180.0° | 56.0° |
| CAI | CAH | NAA | H12 | 60.0° | 180.0° |
| NAL | CAI | CAH | NAA | 0.2° | 180.0° |
| CAI | NAL | CAK | CAE | 0.5° | 0.0° |
| CAI | NAL | CAK | CAG | 179.0° | 179.9° |
| CAI | NAL | CAK | CAJ | 179.4° | 179.7° |
| CAI | NAL | CAG | CAF | 179.4° | 179.7° |
| CAI | NAL | CAG | H1 | 0.6° | 0.1° |
| NAL | CAI | H7 | H8 | 117.6° | 120.0° |
| NAL | CAI | CAH | H9 | 121.2° | 60.0° |
| NAL | CAI | CAH | H10 | 120.9° | 60.0° |
| NAA | CAH | CAI | H7 | 121.0° | 59.9° |
| NAA | CAH | CAI | H8 | 120.6° | 60.0° |
| NAA | CAH | H9 | H10 | 116.7° | 120.0° |
| CAH | NAA | H11 | H12 | 120.0° | 124.0° |
| CAC | CAE | CAK | H6 | 180.0° | 179.9° |
| CAC | CAE | CAK | NAL | 180.0° | 179.6° |
| CAE | CAC | CAB | H5 | 180.0° | 179.9° |
| CAC | CAE | CAK | CAJ | 0.1° | 0.1° |
| CAE | CAC | CAB | CAD | 0.1° | 0.0° |
| CAE | CAC | CAB | H4 | 180.0° | 179.9° |
| CAE | CAK | NAL | CAJ | 179.9° | 179.7° |
| CAE | CAK | NAL | CAG | 179.5° | 179.8° |
| CAK | CAE | CAC | CAB | 0.0° | 0.1° |
| CAE | CAK | CAJ | CAF | 179.7° | 180.0° |
| CAE | CAK | CAJ | CAD | 0.2° | 0.1° |
| CAK | CAE | CAC | H5 | 180.0° | 180.0° |
| CAK | NAL | CAG | CAF | 0.5° | 0.4° |
| NAL | CAK | CAJ | CAF | 0.2° | 0.2° |
| NAL | CAK | CAJ | CAD | 179.9° | 179.7° |
| CAK | NAL | CAG | H1 | 179.6° | 179.8° |
| NAL | CAK | CAE | H6 | 0.0° | 0.3° |
| CAK | NAL | CAI | H7 | 148.4° | 155.0° |
| CAK | NAL | CAI | H8 | 30.0° | 35.0° |
| CAG | NAL | CAK | CAJ | 0.4° | 0.4° |
| NAL | CAG | CAF | H1 | 180.0° | 179.8° |
| NAL | CAG | CAF | CAJ | 0.4° | 0.3° |
| NAL | CAG | CAF | H2 | 179.7° | 179.8° |
| CAG | NAL | CAI | H7 | 32.8° | 24.9° |
| CAG | NAL | CAI | H8 | 151.2° | 144.8° |
| CAC | CAB | CAD | H4 | 180.0° | 180.0° |
| CAC | CAB | CAD | CAJ | 0.2° | 0.0° |
| CAC | CAB | CAD | H3 | 179.8° | 180.0° |
| CAB | CAC | CAE | H6 | 180.0° | 180.0° |
| CAK | CAJ | CAF | CAG | 0.1° | 0.0° |
| CAK | CAJ | CAD | CAB | 0.3° | 0.0° |
| CAK | CAJ | CAF | CAD | 179.9° | 180.0° |
| CAK | CAJ | CAF | H2 | 179.9° | 180.0° |
| CAK | CAJ | CAD | H3 | 179.7° | 180.0° |
| CAJ | CAK | CAE | H6 | 179.9° | 180.0° |
| CAG | CAF | CAJ | H2 | 180.0° | 179.9° |
| CAG | CAF | CAJ | CAD | 179.8° | 180.0° |
| CAB | CAD | CAJ | CAF | 179.7° | 180.0° |
| CAB | CAD | CAJ | H3 | 180.0° | 180.0° |
| CAD | CAB | CAC | H5 | 179.9° | 180.0° |
| CAJ | CAF | CAG | H1 | 179.7° | 180.0° |
| CAF | CAJ | CAD | H3 | 0.4° | 0.1° |
| CAD | CAJ | CAF | H2 | 0.1° | 0.1° |
| CAJ | CAD | CAB | H4 | 179.8° | 180.0° |
| H1 | CAG | CAF | H2 | 0.3° | 0.0° |
| H3 | CAD | CAB | H4 | 0.2° | 0.0° |
| H4 | CAB | CAC | H5 | 0.1° | 0.0° |
| H5 | CAC | CAE | H6 | 0.0° | 0.1° |
| H7 | CAI | CAH | H9 | 117.9° | 180.0° |
| H7 | CAI | CAH | H10 | 0.0° | 60.1° |
| H8 | CAI | CAH | H9 | 0.4° | 60.1° |
| H8 | CAI | CAH | H10 | 118.3° | 180.0° |
| H9 | CAH | NAA | H11 | 59.0° | 64.0° |
| H9 | CAH | NAA | H12 | 178.9° | 60.0° |
| H10 | CAH | NAA | H11 | 58.9° | 176.1° |
| H10 | CAH | NAA | H12 | 61.0° | 60.0° |
