M6H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAI | CAF | sing | 1.49Å | 1.27Å | |
| NAI | CAK | sing | 1.49Å | 1.63Å | |
| CAD | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAK | sing | 1.53Å | 1.51Å | |
| CAH | CAL | sing | 1.51Å | 1.55Å | |
| CAB | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAG | sing | 1.54Å | 1.58Å | |
| CAK | NAJ | sing | 1.48Å | 1.31Å | |
| CAL | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | NAJ | sing | 1.48Å | 1.52Å | |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAB | H2 | sing | 1.08Å | 1.08Å | |
| CAC | H3 | sing | 1.08Å | 1.08Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.09Å | 1.10Å | |
| CAF | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å | |
| CAG | H9 | sing | 1.09Å | 1.10Å | |
| CAH | H10 | sing | 1.09Å | 1.10Å | |
| CAH | H11 | sing | 1.09Å | 1.10Å | |
| CAK | H12 | sing | 1.09Å | 1.10Å | |
| NAI | H13 | sing | 1.01Å | 1.00Å | |
| NAJ | H15 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | NAI | CAK | 104.8° | 103.1° |
| NAI | CAF | CAG | 107.1° | 103.4° |
| NAI | CAF | H6 | 110.1° | 110.6° |
| NAI | CAF | H7 | 110.0° | 110.8° |
| CAF | NAI | H13 | 110.6° | 111.0° |
| NAI | CAK | CAH | 114.9° | 110.3° |
| NAI | CAK | NAJ | 106.4° | 105.3° |
| NAI | CAK | H12 | 104.7° | 110.4° |
| CAK | NAI | H13 | 110.6° | 111.0° |
| CAB | CAD | CAL | 120.5° | 120.0° |
| CAD | CAB | CAA | 119.4° | 120.0° |
| CAD | CAB | H2 | 120.3° | 120.0° |
| CAB | CAD | H4 | 119.8° | 120.0° |
| CAD | CAL | CAH | 121.4° | 120.0° |
| CAD | CAL | CAE | 119.9° | 120.0° |
| CAL | CAD | H4 | 119.7° | 120.0° |
| CAK | CAH | CAL | 118.1° | 109.4° |
| CAH | CAK | NAJ | 115.8° | 110.2° |
| CAK | CAH | H10 | 107.3° | 109.5° |
| CAK | CAH | H11 | 107.2° | 109.5° |
| CAH | CAK | H12 | 105.9° | 110.2° |
| CAH | CAL | CAE | 118.7° | 120.0° |
| CAL | CAH | H10 | 107.3° | 109.5° |
| CAL | CAH | H11 | 107.3° | 109.4° |
| CAB | CAA | CAC | 120.0° | 120.0° |
| CAB | CAA | H1 | 120.0° | 120.0° |
| CAA | CAB | H2 | 120.3° | 120.0° |
| CAF | CAG | NAJ | 105.1° | 105.8° |
| CAG | CAF | H6 | 110.0° | 110.6° |
| CAG | CAF | H7 | 110.1° | 110.7° |
| CAF | CAG | H8 | 110.6° | 110.2° |
| CAF | CAG | H9 | 110.5° | 110.2° |
| CAK | NAJ | CAG | 102.0° | 106.9° |
| NAJ | CAK | H12 | 108.4° | 110.3° |
| CAK | NAJ | H15 | 111.3° | 110.9° |
| CAL | CAE | CAC | 119.8° | 120.0° |
| CAL | CAE | H5 | 120.1° | 120.0° |
| CAA | CAC | CAE | 120.3° | 120.0° |
| CAC | CAA | H1 | 120.0° | 120.0° |
| CAA | CAC | H3 | 119.9° | 120.0° |
| CAE | CAC | H3 | 119.8° | 120.0° |
| CAC | CAE | H5 | 120.1° | 120.0° |
| NAJ | CAG | H8 | 110.6° | 110.2° |
| NAJ | CAG | H9 | 110.6° | 110.2° |
| CAG | NAJ | H15 | 111.3° | 111.0° |
| H6 | CAF | H7 | 109.5° | 110.6° |
| H8 | CAG | H9 | 109.5° | 110.2° |
| H10 | CAH | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | NAI | CAK | H13 | 119.2° | 118.9° |
| CAF | NAI | CAK | CAH | 167.4° | 157.6° |
| NAI | CAF | CAG | H6 | 119.6° | 118.4° |
| NAI | CAF | CAG | H7 | 119.6° | 118.7° |
| CAF | NAI | CAK | NAJ | 37.9° | 38.7° |
| NAI | CAF | CAG | NAJ | 2.6° | 22.5° |
| NAI | CAF | H6 | H7 | 121.1° | 123.1° |
| NAI | CAF | CAG | H8 | 122.0° | 96.6° |
| NAI | CAF | CAG | H9 | 116.7° | 141.6° |
| CAF | NAI | CAK | H12 | 76.8° | 80.3° |
| NAI | CAK | CAH | NAJ | 124.7° | 115.9° |
| NAI | CAK | CAH | H12 | 115.1° | 122.1° |
| NAI | CAK | CAH | CAL | 63.1° | 64.1° |
| CAK | NAI | CAF | CAG | 17.8° | 37.1° |
| NAI | CAK | NAJ | H12 | 112.2° | 119.1° |
| NAI | CAK | NAJ | CAG | 36.8° | 24.5° |
| CAK | NAI | CAF | H6 | 137.4° | 81.3° |
| CAK | NAI | CAF | H7 | 101.8° | 155.7° |
| NAI | CAK | CAH | H10 | 175.6° | 55.9° |
| NAI | CAK | CAH | H11 | 58.1° | 176.0° |
| NAI | CAK | NAJ | H15 | 155.6° | 145.6° |
| CAB | CAD | CAL | H4 | 180.0° | 180.0° |
| CAB | CAD | CAL | CAH | 179.6° | 179.9° |
| CAD | CAB | CAA | H2 | 180.0° | 180.0° |
| CAB | CAD | CAL | CAE | 1.1° | 0.3° |
| CAD | CAB | CAA | CAC | 0.1° | 0.1° |
| CAD | CAB | CAA | H1 | 179.9° | 179.7° |
| CAD | CAL | CAH | CAK | 74.9° | 90.0° |
| CAD | CAL | CAH | CAE | 178.6° | 179.7° |
| CAL | CAD | CAB | CAA | 0.5° | 0.0° |
| CAD | CAL | CAE | CAC | 1.2° | 0.5° |
| CAL | CAD | CAB | H2 | 179.5° | 180.0° |
| CAD | CAL | CAE | H5 | 178.8° | 180.0° |
| CAD | CAL | CAH | H10 | 163.9° | 29.9° |
| CAD | CAL | CAH | H11 | 46.4° | 150.0° |
| CAK | CAH | CAL | H10 | 121.2° | 120.0° |
| CAK | CAH | CAL | H11 | 121.2° | 120.0° |
| CAH | CAK | NAJ | H12 | 118.8° | 122.0° |
| CAK | CAH | CAL | CAE | 106.6° | 90.3° |
| CAH | CAK | NAJ | CAG | 165.8° | 143.4° |
| CAK | CAH | H10 | H11 | 116.1° | 120.1° |
| CAH | CAK | NAI | H13 | 73.4° | 83.5° |
| CAH | CAK | NAJ | H15 | 75.4° | 95.4° |
| CAL | CAH | CAK | NAJ | 61.6° | 180.0° |
| CAH | CAL | CAE | CAC | 179.8° | 179.8° |
| CAH | CAL | CAD | H4 | 0.4° | 0.0° |
| CAH | CAL | CAE | H5 | 0.2° | 0.3° |
| CAL | CAH | H10 | H11 | 116.1° | 120.0° |
| CAL | CAH | CAK | H12 | 178.2° | 58.0° |
| CAB | CAA | CAC | H1 | 180.0° | 179.6° |
| CAB | CAA | CAC | CAE | 0.3° | 0.3° |
| CAB | CAA | CAC | H3 | 179.7° | 179.7° |
| CAA | CAB | CAD | H4 | 179.5° | 179.9° |
| CAF | CAG | NAJ | CAK | 26.6° | 1.0° |
| CAF | CAG | NAJ | H8 | 119.3° | 119.0° |
| CAF | CAG | NAJ | H9 | 119.3° | 119.1° |
| CAG | CAF | H6 | H7 | 121.1° | 123.0° |
| CAF | CAG | H8 | H9 | 122.0° | 121.8° |
| CAG | CAF | NAI | H13 | 137.0° | 156.0° |
| CAF | CAG | NAJ | H15 | 145.4° | 122.2° |
| CAK | NAJ | CAG | H15 | 118.8° | 121.1° |
| CAK | NAJ | CAG | H8 | 146.0° | 120.1° |
| CAK | NAJ | CAG | H9 | 92.6° | 118.1° |
| NAJ | CAK | CAH | H10 | 59.6° | 60.0° |
| NAJ | CAK | CAH | H11 | 177.2° | 60.1° |
| NAJ | CAK | NAI | H13 | 157.1° | 157.6° |
| CAL | CAE | CAC | CAA | 0.8° | 0.5° |
| CAL | CAE | CAC | H5 | 180.0° | 179.5° |
| CAL | CAE | CAC | H3 | 179.2° | 179.5° |
| CAE | CAL | CAD | H4 | 178.9° | 179.7° |
| CAE | CAL | CAH | H10 | 14.7° | 149.7° |
| CAE | CAL | CAH | H11 | 132.2° | 29.7° |
| CAA | CAC | CAE | H3 | 180.0° | 180.0° |
| CAC | CAA | CAB | H2 | 179.9° | 180.0° |
| CAA | CAC | CAE | H5 | 179.2° | 180.0° |
| CAE | CAC | CAA | H1 | 179.7° | 179.9° |
| NAJ | CAG | CAF | H6 | 117.0° | 95.9° |
| NAJ | CAG | CAF | H7 | 122.2° | 141.2° |
| NAJ | CAG | H8 | H9 | 122.0° | 121.9° |
| CAG | NAJ | CAK | H12 | 75.4° | 94.6° |
| H1 | CAA | CAB | H2 | 0.1° | 0.3° |
| H1 | CAA | CAC | H3 | 0.3° | 0.1° |
| H2 | CAB | CAD | H4 | 0.5° | 0.0° |
| H3 | CAC | CAE | H5 | 0.8° | 0.0° |
| H6 | CAF | CAG | H8 | 2.3° | 145.0° |
| H6 | CAF | CAG | H9 | 123.7° | 23.2° |
| H6 | CAF | NAI | H13 | 103.4° | 37.6° |
| H7 | CAF | CAG | H8 | 118.4° | 22.1° |
| H7 | CAF | CAG | H9 | 2.9° | 99.7° |
| H7 | CAF | NAI | H13 | 17.4° | 85.4° |
| H8 | CAG | NAJ | H15 | 95.3° | 118.8° |
| H9 | CAG | NAJ | H15 | 26.1° | 3.1° |
| H10 | CAH | CAK | H12 | 60.6° | 178.0° |
| H11 | CAH | CAK | H12 | 57.0° | 61.9° |
| H12 | CAK | NAI | H13 | 42.4° | 38.6° |
| H12 | CAK | NAJ | H15 | 43.4° | 26.5° |
