3MV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAJ | sing | 1.53Å | 1.51Å | |
| CAG | CAK | sing | 1.53Å | 1.50Å | |
| CAG | CAB | sing | 1.53Å | 1.43Å | |
| CAH | CAI | sing | 1.53Å | 1.53Å | |
| CAH | CAK | sing | 1.53Å | 1.50Å | |
| CAJ | CAK | sing | 1.53Å | 1.51Å | |
| CAJ | CAE | sing | 1.53Å | 1.49Å | |
| CAF | CAI | sing | 1.53Å | 1.52Å | |
| CAF | CAA | sing | 1.53Å | 1.52Å | |
| CAI | CAC | sing | 1.53Å | 1.49Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.09Å | 1.10Å | |
| CAF | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | 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 | |
| CAG | H13 | sing | 1.09Å | 1.10Å | |
| CAG | H14 | sing | 1.09Å | 1.10Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å | |
| CAB | H16 | sing | 1.09Å | 1.10Å | |
| CAB | H17 | sing | 1.09Å | 1.10Å | |
| CAJ | H18 | sing | 1.09Å | 1.10Å | |
| CAE | H19 | sing | 1.09Å | 1.10Å | |
| CAE | H20 | sing | 1.09Å | 1.10Å | |
| CAE | H21 | sing | 1.09Å | 1.10Å | |
| CAD | H22 | sing | 1.09Å | 1.10Å | |
| CAD | H23 | sing | 1.09Å | 1.10Å | |
| CAD | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAJ | CAK | 112.9° | 109.5° |
| CAD | CAJ | CAE | 109.5° | 109.5° |
| CAD | CAJ | H18 | 107.5° | 109.5° |
| CAJ | CAD | H22 | 109.5° | 109.4° |
| CAJ | CAD | H23 | 109.5° | 109.5° |
| CAJ | CAD | H24 | 109.5° | 109.4° |
| CAK | CAG | CAB | 110.3° | 109.5° |
| CAG | CAK | CAH | 103.5° | 109.5° |
| CAG | CAK | CAJ | 107.1° | 109.5° |
| CAG | CAK | H12 | 108.1° | 109.5° |
| CAK | CAG | H13 | 109.2° | 109.5° |
| CAK | CAG | H14 | 109.3° | 109.4° |
| CAB | CAG | H13 | 109.3° | 109.5° |
| CAB | CAG | H14 | 109.3° | 109.5° |
| CAG | CAB | H15 | 109.5° | 109.5° |
| CAG | CAB | H16 | 109.5° | 109.4° |
| CAG | CAB | H17 | 109.5° | 109.5° |
| CAI | CAH | CAK | 124.5° | 109.5° |
| CAH | CAI | CAF | 106.1° | 109.5° |
| CAH | CAI | CAC | 116.5° | 109.5° |
| CAH | CAI | H6 | 105.9° | 109.5° |
| CAI | CAH | H10 | 105.6° | 109.5° |
| CAI | CAH | H11 | 105.6° | 109.5° |
| CAH | CAK | CAJ | 121.2° | 109.5° |
| CAK | CAH | H10 | 105.6° | 109.5° |
| CAK | CAH | H11 | 105.6° | 109.5° |
| CAH | CAK | H12 | 108.2° | 109.5° |
| CAK | CAJ | CAE | 111.5° | 109.5° |
| CAJ | CAK | H12 | 108.0° | 109.4° |
| CAK | CAJ | H18 | 107.5° | 109.4° |
| CAE | CAJ | H18 | 107.8° | 109.5° |
| CAJ | CAE | H19 | 109.5° | 109.4° |
| CAJ | CAE | H20 | 109.5° | 109.5° |
| CAJ | CAE | H21 | 109.4° | 109.4° |
| CAI | CAF | CAA | 116.0° | 109.5° |
| CAF | CAI | CAC | 115.3° | 109.5° |
| CAI | CAF | H4 | 107.8° | 109.5° |
| CAI | CAF | H5 | 107.8° | 109.5° |
| CAF | CAI | H6 | 106.0° | 109.5° |
| CAF | CAA | H1 | 109.5° | 109.5° |
| CAF | CAA | H2 | 109.5° | 109.5° |
| CAF | CAA | H3 | 109.5° | 109.5° |
| CAA | CAF | H4 | 107.8° | 109.5° |
| CAA | CAF | H5 | 107.8° | 109.5° |
| CAC | CAI | H6 | 106.3° | 109.4° |
| CAI | CAC | H7 | 109.5° | 109.5° |
| CAI | CAC | H8 | 109.5° | 109.5° |
| CAI | CAC | H9 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAF | H5 | 109.5° | 109.4° |
| H7 | CAC | H8 | 109.5° | 109.5° |
| H7 | CAC | H9 | 109.5° | 109.5° |
| H8 | CAC | H9 | 109.5° | 109.5° |
| H10 | CAH | H11 | 109.5° | 109.4° |
| H13 | CAG | H14 | 109.5° | 109.5° |
| H15 | CAB | H16 | 109.5° | 109.4° |
| H15 | CAB | H17 | 109.4° | 109.5° |
| H16 | CAB | H17 | 109.5° | 109.5° |
| H19 | CAE | H20 | 109.5° | 109.5° |
| H19 | CAE | H21 | 109.5° | 109.5° |
| H20 | CAE | H21 | 109.5° | 109.5° |
| H22 | CAD | H23 | 109.5° | 109.5° |
| H22 | CAD | H24 | 109.4° | 109.4° |
| H23 | CAD | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | CAJ | CAK | CAG | 61.5° | 55.6° |
| CAD | CAJ | CAK | CAH | 56.8° | 175.6° |
| CAD | CAJ | CAK | CAE | 123.7° | 120.1° |
| CAD | CAJ | CAK | H18 | 118.4° | 120.0° |
| CAD | CAJ | CAE | H18 | 116.7° | 120.0° |
| CAD | CAJ | CAK | H12 | 177.7° | 64.4° |
| CAD | CAJ | CAE | H19 | 180.0° | 60.1° |
| CAD | CAJ | CAE | H20 | 60.0° | 59.9° |
| CAD | CAJ | CAE | H21 | 60.0° | 180.0° |
| CAJ | CAD | H22 | H23 | 120.0° | 120.1° |
| CAJ | CAD | H22 | H24 | 120.0° | 119.9° |
| CAJ | CAD | H23 | H24 | 120.0° | 120.0° |
| CAK | CAG | CAB | H13 | 120.1° | 120.0° |
| CAK | CAG | CAB | H14 | 120.2° | 120.0° |
| CAG | CAK | CAH | CAI | 178.0° | 84.2° |
| CAG | CAK | CAH | CAJ | 120.0° | 120.0° |
| CAG | CAK | CAH | H12 | 114.6° | 120.0° |
| CAG | CAK | CAJ | H12 | 116.3° | 120.0° |
| CAG | CAK | CAJ | CAE | 62.2° | 175.6° |
| CAG | CAK | CAH | H10 | 55.9° | 35.8° |
| CAG | CAK | CAH | H11 | 60.0° | 155.8° |
| CAK | CAG | H13 | H14 | 119.6° | 120.0° |
| CAK | CAG | CAB | H15 | 180.0° | 177.9° |
| CAK | CAG | CAB | H16 | 60.0° | 58.0° |
| CAK | CAG | CAB | H17 | 60.0° | 62.1° |
| CAG | CAK | CAJ | H18 | 179.9° | 64.4° |
| CAB | CAG | CAK | CAH | 90.4° | 64.7° |
| CAB | CAG | CAK | CAJ | 140.4° | 55.4° |
| CAB | CAG | CAK | H12 | 24.2° | 175.3° |
| CAB | CAG | H13 | H14 | 119.6° | 120.0° |
| CAG | CAB | H15 | H16 | 120.0° | 119.9° |
| CAG | CAB | H15 | H17 | 120.0° | 120.0° |
| CAG | CAB | H16 | H17 | 120.0° | 120.0° |
| CAI | CAH | CAK | H10 | 122.0° | 120.0° |
| CAI | CAH | CAK | H11 | 122.0° | 120.0° |
| CAI | CAH | CAK | CAJ | 62.0° | 155.8° |
| CAH | CAI | CAF | CAC | 130.5° | 120.0° |
| CAH | CAI | CAF | H6 | 112.3° | 120.0° |
| CAH | CAI | CAF | CAA | 64.0° | 175.0° |
| CAH | CAI | CAC | H6 | 117.7° | 120.0° |
| CAH | CAI | CAF | H4 | 175.0° | 65.0° |
| CAH | CAI | CAF | H5 | 57.0° | 54.9° |
| CAH | CAI | CAC | H7 | 180.0° | 43.7° |
| CAH | CAI | CAC | H8 | 60.0° | 76.4° |
| CAH | CAI | CAC | H9 | 60.0° | 163.6° |
| CAI | CAH | H10 | H11 | 113.3° | 120.0° |
| CAI | CAH | CAK | H12 | 63.4° | 35.8° |
| CAH | CAK | CAJ | H12 | 125.5° | 120.0° |
| CAH | CAK | CAJ | CAE | 179.5° | 64.3° |
| CAK | CAH | CAI | CAF | 155.1° | 174.1° |
| CAK | CAH | CAI | CAC | 25.3° | 65.9° |
| CAK | CAH | CAI | H6 | 92.6° | 54.1° |
| CAK | CAH | H10 | H11 | 113.2° | 120.0° |
| CAH | CAK | CAG | H13 | 29.7° | 175.3° |
| CAH | CAK | CAG | H14 | 149.5° | 55.3° |
| CAH | CAK | CAJ | H18 | 61.6° | 55.7° |
| CAK | CAJ | CAE | H18 | 117.7° | 120.0° |
| CAJ | CAK | CAH | H10 | 176.0° | 84.2° |
| CAJ | CAK | CAH | H11 | 60.0° | 35.8° |
| CAJ | CAK | CAG | H13 | 99.5° | 64.7° |
| CAJ | CAK | CAG | H14 | 20.2° | 175.4° |
| CAK | CAJ | CAE | H19 | 54.4° | 60.0° |
| CAK | CAJ | CAE | H20 | 65.6° | 180.0° |
| CAK | CAJ | CAE | H21 | 174.4° | 60.0° |
| CAK | CAJ | CAD | H22 | 180.0° | 65.9° |
| CAK | CAJ | CAD | H23 | 60.0° | 174.0° |
| CAK | CAJ | CAD | H24 | 60.0° | 54.0° |
| CAE | CAJ | CAK | H12 | 54.1° | 55.7° |
| CAJ | CAE | H19 | H20 | 120.0° | 120.0° |
| CAJ | CAE | H19 | H21 | 120.0° | 119.9° |
| CAJ | CAE | H20 | H21 | 120.0° | 120.0° |
| CAE | CAJ | CAD | H22 | 55.2° | 174.0° |
| CAE | CAJ | CAD | H23 | 64.8° | 53.9° |
| CAE | CAJ | CAD | H24 | 175.2° | 66.1° |
| CAI | CAF | CAA | H4 | 121.0° | 120.0° |
| CAI | CAF | CAA | H5 | 120.9° | 120.1° |
| CAF | CAI | CAC | H6 | 117.1° | 120.0° |
| CAI | CAF | CAA | H1 | 180.0° | 180.0° |
| CAI | CAF | CAA | H2 | 60.0° | 60.0° |
| CAI | CAF | CAA | H3 | 60.0° | 60.0° |
| CAI | CAF | H4 | H5 | 117.0° | 120.0° |
| CAF | CAI | CAC | H7 | 54.7° | 76.4° |
| CAF | CAI | CAC | H8 | 65.3° | 163.6° |
| CAF | CAI | CAC | H9 | 174.7° | 43.6° |
| CAF | CAI | CAH | H10 | 33.1° | 65.9° |
| CAF | CAI | CAH | H11 | 82.9° | 54.1° |
| CAA | CAF | CAI | CAC | 66.5° | 65.0° |
| CAF | CAA | H1 | H2 | 120.0° | 120.0° |
| CAF | CAA | H1 | H3 | 120.0° | 120.0° |
| CAF | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAF | H4 | H5 | 117.0° | 120.0° |
| CAA | CAF | CAI | H6 | 176.2° | 55.0° |
| CAC | CAI | CAF | H4 | 54.4° | 55.0° |
| CAC | CAI | CAF | H5 | 172.5° | 175.0° |
| CAI | CAC | H7 | H8 | 120.0° | 120.0° |
| CAI | CAC | H7 | H9 | 120.0° | 120.0° |
| CAI | CAC | H8 | H9 | 120.0° | 120.0° |
| CAC | CAI | CAH | H10 | 96.7° | 54.2° |
| CAC | CAI | CAH | H11 | 147.3° | 174.1° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAF | H4 | 59.0° | 60.0° |
| H1 | CAA | CAF | H5 | 59.1° | 59.9° |
| H2 | CAA | CAF | H4 | 179.0° | 60.0° |
| H2 | CAA | CAF | H5 | 61.0° | 179.9° |
| H3 | CAA | CAF | H4 | 61.0° | 180.0° |
| H3 | CAA | CAF | H5 | 179.1° | 60.1° |
| H4 | CAF | CAI | H6 | 62.8° | 175.0° |
| H5 | CAF | CAI | H6 | 55.3° | 65.1° |
| H6 | CAI | CAC | H7 | 62.3° | 163.6° |
| H6 | CAI | CAC | H8 | 177.7° | 43.6° |
| H6 | CAI | CAC | H9 | 57.7° | 76.4° |
| H6 | CAI | CAH | H10 | 145.4° | 174.1° |
| H6 | CAI | CAH | H11 | 29.4° | 65.9° |
| H7 | CAC | H8 | H9 | 120.0° | 120.0° |
| H10 | CAH | CAK | H12 | 58.6° | 155.8° |
| H11 | CAH | CAK | H12 | 174.6° | 84.2° |
| H12 | CAK | CAG | H13 | 144.3° | 55.3° |
| H12 | CAK | CAG | H14 | 96.0° | 64.7° |
| H12 | CAK | CAJ | H18 | 63.9° | 175.6° |
| H13 | CAG | CAB | H15 | 59.9° | 62.1° |
| H13 | CAG | CAB | H16 | 179.9° | 178.0° |
| H13 | CAG | CAB | H17 | 60.1° | 57.9° |
| H14 | CAG | CAB | H15 | 59.8° | 57.9° |
| H14 | CAG | CAB | H16 | 60.2° | 62.0° |
| H14 | CAG | CAB | H17 | 179.8° | 177.9° |
| H15 | CAB | H16 | H17 | 120.0° | 120.0° |
| H18 | CAJ | CAE | H19 | 63.3° | 179.9° |
| H18 | CAJ | CAE | H20 | 176.7° | 60.0° |
| H18 | CAJ | CAE | H21 | 56.7° | 60.0° |
| H18 | CAJ | CAD | H22 | 61.6° | 54.0° |
| H18 | CAJ | CAD | H23 | 178.3° | 66.1° |
| H18 | CAJ | CAD | H24 | 58.4° | 173.9° |
| H19 | CAE | H20 | H21 | 120.0° | 120.0° |
| H22 | CAD | H23 | H24 | 120.0° | 120.0° |
