H76
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | CAF | trip | 1.17Å | 1.17Å | |
| CAF | CAD | sing | 1.47Å | 1.39Å | |
| CAA | NAE | sing | 1.47Å | 1.47Å | |
| CAA | CAH | sing | 1.53Å | 1.55Å | |
| CAA | CAB | sing | 1.54Å | 1.50Å | |
| NAE | CAD | sing | 1.48Å | 1.48Å | |
| CAC | CAD | sing | 1.55Å | 1.52Å | |
| CAC | CAB | sing | 1.55Å | 1.50Å | |
| CAC | OAJ | sing | 1.43Å | 1.39Å | |
| CAB | OAI | sing | 1.43Å | 1.45Å | |
| CAG | H1 | sing | 1.05Å | 1.06Å | |
| CAD | H2 | sing | 1.09Å | 1.10Å | |
| NAE | H3 | sing | 1.01Å | 1.00Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAH | H6 | sing | 1.09Å | 1.10Å | |
| CAH | H7 | sing | 1.09Å | 1.10Å | |
| CAH | H8 | sing | 1.09Å | 1.10Å | |
| CAB | H9 | sing | 1.09Å | 1.10Å | |
| OAI | H10 | sing | 0.97Å | 0.95Å | |
| CAC | H11 | sing | 1.09Å | 1.10Å | |
| OAJ | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAF | CAD | 176.7° | 180.0° |
| CAF | CAG | H1 | 180.0° | 180.0° |
| CAF | CAD | NAE | 103.8° | 110.4° |
| CAF | CAD | CAC | 110.2° | 110.3° |
| CAF | CAD | H2 | 114.3° | 110.3° |
| NAE | CAA | CAH | 111.4° | 109.9° |
| NAE | CAA | CAB | 104.7° | 107.2° |
| CAA | NAE | CAD | 106.0° | 108.6° |
| CAA | NAE | H3 | 110.3° | 111.0° |
| NAE | CAA | H5 | 110.5° | 109.9° |
| CAH | CAA | CAB | 110.6° | 109.9° |
| CAH | CAA | H5 | 109.5° | 109.9° |
| CAA | CAH | H6 | 109.5° | 109.5° |
| CAA | CAH | H7 | 109.5° | 109.5° |
| CAA | CAH | H8 | 109.4° | 109.5° |
| CAA | CAB | CAC | 97.7° | 103.1° |
| CAA | CAB | OAI | 109.5° | 110.7° |
| CAB | CAA | H5 | 110.1° | 110.0° |
| CAA | CAB | H9 | 112.1° | 110.7° |
| NAE | CAD | CAC | 103.0° | 104.9° |
| NAE | CAD | H2 | 112.7° | 110.4° |
| CAD | NAE | H3 | 110.3° | 111.0° |
| CAD | CAC | CAB | 100.0° | 101.6° |
| CAD | CAC | OAJ | 112.5° | 111.0° |
| CAC | CAD | H2 | 112.1° | 110.4° |
| CAD | CAC | H11 | 110.3° | 111.0° |
| CAB | CAC | OAJ | 110.3° | 111.1° |
| CAC | CAB | OAI | 111.5° | 110.6° |
| CAC | CAB | H9 | 112.1° | 110.9° |
| CAB | CAC | H11 | 110.7° | 110.9° |
| OAJ | CAC | H11 | 112.4° | 110.9° |
| CAC | OAJ | H12 | 109.5° | 114.0° |
| OAI | CAB | H9 | 113.0° | 110.6° |
| CAB | OAI | H10 | 109.5° | 114.0° |
| H6 | CAH | H7 | 109.5° | 109.4° |
| H6 | CAH | H8 | 109.4° | 109.4° |
| H7 | CAH | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAF | CAD | NAE | 129.3° | 88.3° |
| CAG | CAF | CAD | CAC | 19.6° | 156.2° |
| CAG | CAF | CAD | H2 | 107.6° | 34.0° |
| CAF | CAD | NAE | CAA | 128.0° | 142.9° |
| CAF | CAD | NAE | CAC | 114.9° | 118.9° |
| CAF | CAD | NAE | H2 | 124.1° | 122.3° |
| CAF | CAD | CAC | H2 | 128.4° | 122.2° |
| CAF | CAD | CAC | CAB | 151.2° | 155.8° |
| CAF | CAD | CAC | OAJ | 91.7° | 86.0° |
| CAD | CAF | CAG | H1 | 166.7° | 3.2° |
| CAF | CAD | NAE | H3 | 112.5° | 94.8° |
| CAF | CAD | CAC | H11 | 34.6° | 37.8° |
| NAE | CAA | CAH | CAB | 116.0° | 117.8° |
| NAE | CAA | CAH | H5 | 122.5° | 121.1° |
| NAE | CAA | CAB | H5 | 118.7° | 119.5° |
| CAA | NAE | CAD | H3 | 119.5° | 122.3° |
| CAA | NAE | CAD | CAC | 13.1° | 24.0° |
| NAE | CAA | CAB | CAC | 44.9° | 22.2° |
| NAE | CAA | CAB | OAI | 71.2° | 96.1° |
| CAA | NAE | CAD | H2 | 107.8° | 94.9° |
| NAE | CAA | CAH | H6 | 180.0° | 58.5° |
| NAE | CAA | CAH | H7 | 60.0° | 178.5° |
| NAE | CAA | CAH | H8 | 60.0° | 61.5° |
| NAE | CAA | CAB | H9 | 162.6° | 140.9° |
| CAH | CAA | CAB | H5 | 121.1° | 121.1° |
| CAH | CAA | NAE | CAD | 139.4° | 118.4° |
| CAH | CAA | CAB | CAC | 165.0° | 141.6° |
| CAH | CAA | CAB | OAI | 48.9° | 23.3° |
| CAH | CAA | NAE | H3 | 20.0° | 3.9° |
| CAA | CAH | H6 | H7 | 120.0° | 120.0° |
| CAA | CAH | H6 | H8 | 120.0° | 120.0° |
| CAA | CAH | H7 | H8 | 120.0° | 120.0° |
| CAH | CAA | CAB | H9 | 77.3° | 99.7° |
| CAB | CAA | NAE | CAD | 19.8° | 1.0° |
| CAA | CAB | CAC | CAD | 52.0° | 35.5° |
| CAA | CAB | CAC | OAI | 114.5° | 118.3° |
| CAA | CAB | CAC | H9 | 117.7° | 118.5° |
| CAA | CAB | CAC | OAJ | 170.6° | 153.6° |
| CAA | CAB | OAI | H9 | 125.7° | 123.1° |
| CAB | CAA | NAE | H3 | 99.6° | 123.3° |
| CAB | CAA | CAH | H6 | 64.0° | 59.2° |
| CAB | CAA | CAH | H7 | 176.0° | 60.7° |
| CAB | CAA | CAH | H8 | 56.0° | 179.2° |
| CAA | CAB | OAI | H10 | 180.0° | 180.0° |
| CAA | CAB | CAC | H11 | 64.4° | 82.5° |
| NAE | CAD | CAC | H2 | 121.4° | 118.9° |
| NAE | CAD | CAC | CAB | 41.1° | 36.9° |
| NAE | CAD | CAC | OAJ | 158.1° | 155.1° |
| CAD | NAE | CAA | H5 | 98.7° | 120.5° |
| NAE | CAD | CAC | H11 | 75.5° | 81.1° |
| CAD | CAC | CAB | OAJ | 118.6° | 118.1° |
| CAD | CAC | CAB | H11 | 116.3° | 118.0° |
| CAD | CAC | OAJ | H11 | 125.2° | 123.8° |
| CAD | CAC | CAB | OAI | 62.5° | 82.8° |
| CAC | CAD | NAE | H3 | 132.6° | 146.3° |
| CAD | CAC | CAB | H9 | 169.7° | 154.0° |
| CAD | CAC | OAJ | H12 | 180.0° | 61.4° |
| CAB | CAC | OAJ | H11 | 124.1° | 123.9° |
| CAC | CAB | OAI | H9 | 127.4° | 123.3° |
| CAB | CAC | CAD | H2 | 80.3° | 82.0° |
| CAC | CAB | CAA | H5 | 73.9° | 97.3° |
| CAC | CAB | OAI | H10 | 73.0° | 66.4° |
| CAB | CAC | OAJ | H12 | 69.3° | 173.7° |
| OAJ | CAC | CAB | OAI | 56.1° | 35.3° |
| OAJ | CAC | CAD | H2 | 36.7° | 36.2° |
| OAJ | CAC | CAB | H9 | 71.7° | 87.8° |
| OAI | CAB | CAA | H5 | 170.0° | 144.4° |
| OAI | CAB | CAC | H11 | 178.9° | 159.1° |
| H2 | CAD | NAE | H3 | 11.6° | 27.4° |
| H2 | CAD | CAC | H11 | 163.1° | 160.0° |
| H3 | NAE | CAA | H5 | 141.9° | 117.2° |
| H5 | CAA | CAH | H6 | 57.5° | 179.6° |
| H5 | CAA | CAH | H7 | 62.5° | 60.4° |
| H5 | CAA | CAH | H8 | 177.5° | 59.6° |
| H5 | CAA | CAB | H9 | 43.9° | 21.4° |
| H6 | CAH | H7 | H8 | 120.0° | 119.9° |
| H9 | CAB | OAI | H10 | 54.3° | 56.9° |
| H9 | CAB | CAC | H11 | 53.3° | 36.0° |
| H11 | CAC | OAJ | H12 | 54.8° | 62.4° |
