IYV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAN | CAB | sing | 1.43Å | 1.45Å | |
| OAL | CAA | sing | 1.43Å | 1.49Å | |
| CAB | CAA | sing | 1.53Å | 1.56Å | |
| CAB | CAC | sing | 1.53Å | 1.57Å | |
| OAJ | CAC | sing | 1.43Å | 1.47Å | |
| CAA | CAF | sing | 1.53Å | 1.61Å | |
| CAC | CAD | sing | 1.53Å | 1.57Å | |
| OAP | CAH | sing | 1.43Å | 1.43Å | |
| CAF | OAE | sing | 1.43Å | 1.48Å | |
| CAF | CAG | sing | 1.53Å | 1.57Å | |
| CAD | OAE | sing | 1.43Å | 1.47Å | |
| CAD | SAK | sing | 1.81Å | 1.81Å | |
| CAH | CAG | sing | 1.53Å | 1.52Å | |
| CAH | CAI | sing | 1.53Å | 1.54Å | |
| CAG | NAO | sing | 1.47Å | 1.49Å | |
| SAK | CAM | sing | 1.81Å | 1.79Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAC | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.09Å | 1.10Å | |
| CAF | H5 | sing | 1.09Å | 1.10Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAH | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.09Å | 1.10Å | |
| CAI | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| NAO | H14 | sing | 1.01Å | 1.00Å | |
| NAO | H15 | sing | 1.01Å | 1.00Å | |
| OAJ | H17 | sing | 0.97Å | 0.95Å | |
| OAL | H18 | sing | 0.97Å | 0.95Å | |
| OAN | H19 | sing | 0.97Å | 0.95Å | |
| OAP | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAN | CAB | CAA | 111.9° | 109.5° |
| OAN | CAB | CAC | 112.7° | 109.5° |
| OAN | CAB | H2 | 107.3° | 109.6° |
| CAB | OAN | H19 | 109.5° | 114.0° |
| OAL | CAA | CAB | 111.3° | 109.6° |
| OAL | CAA | CAF | 116.0° | 109.5° |
| OAL | CAA | H1 | 108.7° | 109.6° |
| CAA | OAL | H18 | 109.5° | 114.0° |
| CAA | CAB | CAC | 112.3° | 109.0° |
| CAB | CAA | CAF | 105.5° | 109.1° |
| CAB | CAA | H1 | 107.7° | 109.5° |
| CAA | CAB | H2 | 106.1° | 109.6° |
| CAB | CAC | OAJ | 111.9° | 109.5° |
| CAB | CAC | CAD | 110.1° | 109.2° |
| CAC | CAB | H2 | 106.0° | 109.5° |
| CAB | CAC | H3 | 108.0° | 109.5° |
| OAJ | CAC | CAD | 109.7° | 109.6° |
| OAJ | CAC | H3 | 109.1° | 109.6° |
| CAC | OAJ | H17 | 109.5° | 114.0° |
| CAA | CAF | OAE | 109.7° | 109.4° |
| CAA | CAF | CAG | 118.7° | 109.5° |
| CAF | CAA | H1 | 107.2° | 109.5° |
| CAA | CAF | H5 | 104.2° | 109.5° |
| CAC | CAD | OAE | 109.8° | 109.4° |
| CAC | CAD | SAK | 119.1° | 109.4° |
| CAD | CAC | H3 | 108.0° | 109.5° |
| CAC | CAD | H4 | 107.6° | 109.4° |
| OAP | CAH | CAG | 107.7° | 109.5° |
| OAP | CAH | CAI | 110.5° | 109.5° |
| OAP | CAH | H7 | 110.5° | 109.5° |
| CAH | OAP | H20 | 109.5° | 114.1° |
| OAE | CAF | CAG | 113.0° | 109.5° |
| CAF | OAE | CAD | 107.7° | 114.1° |
| OAE | CAF | H5 | 105.4° | 109.5° |
| CAF | CAG | CAH | 113.1° | 109.4° |
| CAF | CAG | NAO | 113.2° | 109.5° |
| CAG | CAF | H5 | 104.5° | 109.5° |
| CAF | CAG | H6 | 106.7° | 109.5° |
| OAE | CAD | SAK | 106.1° | 109.5° |
| OAE | CAD | H4 | 108.7° | 109.5° |
| CAD | SAK | CAM | 100.8° | 103.0° |
| SAK | CAD | H4 | 105.1° | 109.5° |
| CAG | CAH | CAI | 109.9° | 109.5° |
| CAH | CAG | NAO | 108.6° | 109.5° |
| CAH | CAG | H6 | 107.3° | 109.5° |
| CAG | CAH | H7 | 109.3° | 109.5° |
| CAI | CAH | H7 | 109.0° | 109.4° |
| CAH | CAI | H8 | 109.5° | 109.5° |
| CAH | CAI | H9 | 109.5° | 109.5° |
| CAH | CAI | H10 | 109.5° | 109.4° |
| NAO | CAG | H6 | 107.6° | 109.5° |
| CAG | NAO | H14 | 109.5° | 111.0° |
| CAG | NAO | H15 | 109.5° | 111.0° |
| SAK | CAM | H11 | 109.5° | 109.5° |
| SAK | CAM | H12 | 109.5° | 109.5° |
| SAK | CAM | H13 | 109.5° | 109.5° |
| H8 | CAI | H9 | 109.5° | 109.5° |
| H8 | CAI | H10 | 109.5° | 109.4° |
| H9 | CAI | H10 | 109.5° | 109.5° |
| H11 | CAM | H12 | 109.5° | 109.5° |
| H11 | CAM | H13 | 109.5° | 109.5° |
| H12 | CAM | H13 | 109.5° | 109.4° |
| H14 | NAO | H15 | 109.4° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAN | CAB | CAA | OAL | 54.5° | 56.9° |
| OAN | CAB | CAA | CAC | 128.0° | 119.9° |
| OAN | CAB | CAA | H2 | 116.7° | 120.3° |
| OAN | CAB | CAC | H2 | 117.1° | 120.3° |
| OAN | CAB | CAC | OAJ | 58.0° | 63.2° |
| OAN | CAB | CAA | CAF | 178.9° | 176.8° |
| OAN | CAB | CAC | CAD | 179.8° | 176.8° |
| OAN | CAB | CAA | H1 | 64.6° | 63.3° |
| OAN | CAB | CAC | H3 | 62.1° | 57.0° |
| OAL | CAA | CAB | CAF | 126.7° | 119.9° |
| OAL | CAA | CAB | H1 | 119.1° | 120.2° |
| OAL | CAA | CAB | CAC | 73.5° | 63.0° |
| OAL | CAA | CAF | H1 | 121.7° | 120.2° |
| OAL | CAA | CAF | OAE | 61.5° | 62.3° |
| OAL | CAA | CAF | CAG | 70.4° | 57.6° |
| OAL | CAA | CAB | H2 | 171.2° | 177.2° |
| OAL | CAA | CAF | H5 | 174.0° | 177.7° |
| CAA | CAB | CAC | H2 | 115.4° | 119.9° |
| CAA | CAB | CAC | OAJ | 174.5° | 176.9° |
| CAB | CAA | CAF | H1 | 114.7° | 119.9° |
| CAA | CAB | CAC | CAD | 52.3° | 56.9° |
| CAB | CAA | CAF | OAE | 62.2° | 57.6° |
| CAB | CAA | CAF | CAG | 165.9° | 177.6° |
| CAA | CAB | CAC | H3 | 65.4° | 62.9° |
| CAB | CAA | CAF | H5 | 50.3° | 62.3° |
| CAB | CAA | OAL | H18 | 180.0° | 60.3° |
| CAA | CAB | OAN | H19 | 180.0° | 180.0° |
| CAB | CAC | OAJ | CAD | 122.5° | 119.7° |
| CAB | CAC | OAJ | H3 | 119.4° | 120.1° |
| CAC | CAB | CAA | CAF | 53.2° | 57.0° |
| CAB | CAC | CAD | H3 | 117.7° | 119.8° |
| CAB | CAC | CAD | OAE | 57.1° | 57.6° |
| CAB | CAC | CAD | SAK | 65.4° | 62.4° |
| CAC | CAB | CAA | H1 | 167.5° | 176.9° |
| CAB | CAC | CAD | H4 | 175.3° | 177.6° |
| CAB | CAC | OAJ | H17 | 180.0° | 180.0° |
| CAC | CAB | OAN | H19 | 52.3° | 60.4° |
| OAJ | CAC | CAD | H3 | 118.8° | 120.2° |
| OAJ | CAC | CAD | OAE | 179.4° | 177.5° |
| OAJ | CAC | CAD | SAK | 58.1° | 57.6° |
| OAJ | CAC | CAB | H2 | 59.1° | 57.1° |
| OAJ | CAC | CAD | H4 | 61.2° | 62.5° |
| CAA | CAF | OAE | CAG | 134.9° | 120.0° |
| CAA | CAF | OAE | H5 | 111.6° | 120.0° |
| CAA | CAF | CAG | H5 | 115.5° | 120.0° |
| CAA | CAF | OAE | CAD | 70.0° | 61.2° |
| CAA | CAF | CAG | CAH | 67.3° | 180.0° |
| CAA | CAF | CAG | NAO | 168.6° | 60.0° |
| CAF | CAA | CAB | H2 | 62.2° | 62.9° |
| CAA | CAF | CAG | H6 | 50.4° | 60.0° |
| CAF | CAA | OAL | H18 | 59.4° | 180.0° |
| CAC | CAD | OAE | CAF | 66.3° | 61.1° |
| CAC | CAD | OAE | SAK | 129.9° | 119.9° |
| CAC | CAD | OAE | H4 | 117.5° | 120.0° |
| CAC | CAD | SAK | H4 | 120.5° | 120.0° |
| CAC | CAD | SAK | CAM | 85.1° | 170.0° |
| CAD | CAC | CAB | H2 | 63.1° | 62.9° |
| CAD | CAC | OAJ | H17 | 57.5° | 60.2° |
| OAP | CAH | CAG | CAF | 98.0° | 60.0° |
| OAP | CAH | CAG | CAI | 120.5° | 120.0° |
| OAP | CAH | CAG | H7 | 120.0° | 120.0° |
| OAP | CAH | CAI | H7 | 121.6° | 120.0° |
| OAP | CAH | CAG | NAO | 135.4° | 180.0° |
| OAP | CAH | CAG | H6 | 19.3° | 60.0° |
| OAP | CAH | CAI | H8 | 180.0° | 59.9° |
| OAP | CAH | CAI | H9 | 60.0° | 180.0° |
| OAP | CAH | CAI | H10 | 60.0° | 60.0° |
| OAE | CAF | CAG | H5 | 114.1° | 120.0° |
| CAF | OAE | CAD | SAK | 63.6° | 58.8° |
| OAE | CAF | CAG | CAH | 63.1° | 60.0° |
| OAE | CAF | CAG | NAO | 60.9° | 180.0° |
| OAE | CAF | CAA | H1 | 176.8° | 177.5° |
| CAF | OAE | CAD | H4 | 176.2° | 178.9° |
| OAE | CAF | CAG | H6 | 179.1° | 60.0° |
| CAG | CAF | OAE | CAD | 155.1° | 178.9° |
| CAF | CAG | CAH | NAO | 126.6° | 120.0° |
| CAF | CAG | CAH | H6 | 117.4° | 120.0° |
| CAF | CAG | CAH | CAI | 141.5° | 180.0° |
| CAF | CAG | NAO | H6 | 117.6° | 120.0° |
| CAG | CAF | CAA | H1 | 51.3° | 62.5° |
| CAF | CAG | CAH | H7 | 22.0° | 60.0° |
| CAF | CAG | NAO | H14 | 180.0° | 60.0° |
| CAF | CAG | NAO | H15 | 60.0° | 64.0° |
| OAE | CAD | SAK | H4 | 115.1° | 120.1° |
| OAE | CAD | SAK | CAM | 150.5° | 70.1° |
| OAE | CAD | CAC | H3 | 60.5° | 62.3° |
| CAD | OAE | CAF | H5 | 41.6° | 58.8° |
| SAK | CAD | CAC | H3 | 176.9° | 177.8° |
| CAD | SAK | CAM | H11 | 180.0° | 60.0° |
| CAD | SAK | CAM | H12 | 60.0° | 60.0° |
| CAD | SAK | CAM | H13 | 60.0° | 180.0° |
| CAG | CAH | CAI | H7 | 119.7° | 120.0° |
| CAH | CAG | NAO | H6 | 115.9° | 120.0° |
| CAH | CAG | CAF | H5 | 177.2° | 60.0° |
| CAG | CAH | CAI | H8 | 61.3° | 180.0° |
| CAG | CAH | CAI | H9 | 58.7° | 59.9° |
| CAG | CAH | CAI | H10 | 178.7° | 60.0° |
| CAH | CAG | NAO | H14 | 53.5° | 60.0° |
| CAH | CAG | NAO | H15 | 66.5° | 176.0° |
| CAG | CAH | OAP | H20 | 180.0° | 180.0° |
| CAI | CAH | CAG | NAO | 14.9° | 60.0° |
| CAI | CAH | CAG | H6 | 101.2° | 60.0° |
| CAH | CAI | H8 | H9 | 120.0° | 120.1° |
| CAH | CAI | H8 | H10 | 120.0° | 119.9° |
| CAH | CAI | H9 | H10 | 120.0° | 119.9° |
| CAI | CAH | OAP | H20 | 59.9° | 60.0° |
| NAO | CAG | CAF | H5 | 53.1° | 60.0° |
| NAO | CAG | CAH | H7 | 104.6° | 59.9° |
| CAG | NAO | H14 | H15 | 120.0° | 123.9° |
| CAM | SAK | CAD | H4 | 35.4° | 50.0° |
| SAK | CAM | H11 | H12 | 120.0° | 120.1° |
| SAK | CAM | H11 | H13 | 120.0° | 120.0° |
| SAK | CAM | H12 | H13 | 120.0° | 120.0° |
| H1 | CAA | CAB | H2 | 52.1° | 57.0° |
| H1 | CAA | CAF | H5 | 64.4° | 57.5° |
| H1 | CAA | OAL | H18 | 61.5° | 59.8° |
| H2 | CAB | CAC | H3 | 179.2° | 177.3° |
| H2 | CAB | OAN | H19 | 64.0° | 59.8° |
| H3 | CAC | CAD | H4 | 57.6° | 57.7° |
| H3 | CAC | OAJ | H17 | 60.6° | 59.9° |
| H5 | CAF | CAG | H6 | 65.1° | 180.0° |
| H6 | CAG | CAH | H7 | 139.4° | 180.0° |
| H6 | CAG | NAO | H14 | 62.4° | 180.0° |
| H6 | CAG | NAO | H15 | 177.7° | 56.0° |
| H7 | CAH | CAI | H8 | 58.4° | 60.1° |
| H7 | CAH | CAI | H9 | 178.4° | 60.0° |
| H7 | CAH | CAI | H10 | 61.6° | 180.0° |
| H7 | CAH | OAP | H20 | 60.7° | 60.0° |
| H8 | CAI | H9 | H10 | 120.0° | 120.0° |
| H11 | CAM | H12 | H13 | 120.0° | 120.0° |
