7IF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBD | CBC | sing | 1.53Å | 1.52Å | |
| CBD | OBE | sing | 1.43Å | 1.39Å | |
| CBC | NBB | sing | 1.47Å | 1.41Å | |
| OBE | CBF | sing | 1.43Å | 1.44Å | |
| NBB | CAV | sing | 1.39Å | 1.46Å | |
| OAR | CAQ | doub | 1.22Å | 1.19Å | |
| CAI | CAH | sing | 1.53Å | 1.44Å | |
| CAI | NAJ | sing | 1.47Å | 1.50Å | |
| CAV | CAU | doub | 1.39Å | 1.51Å | Aromatic |
| CAV | CAW | sing | 1.40Å | 1.42Å | Aromatic |
| CAH | CAG | sing | 1.53Å | 1.61Å | |
| CAU | CAT | sing | 1.39Å | 1.37Å | Aromatic |
| CAQ | NAJ | sing | 1.35Å | 1.43Å | |
| CAQ | NAS | sing | 1.35Å | 1.50Å | |
| NBA | CAZ | sing | 1.47Å | 1.37Å | |
| CAZ | CAW | sing | 1.51Å | 1.57Å | |
| CAW | CAX | doub | 1.38Å | 1.42Å | Aromatic |
| NAJ | CAF | sing | 1.40Å | 1.49Å | |
| CAT | NAS | sing | 1.39Å | 1.41Å | |
| CAT | NAY | doub | 1.32Å | 1.37Å | Aromatic |
| CAG | CAE | sing | 1.50Å | 1.53Å | |
| CAX | NAY | sing | 1.32Å | 1.35Å | Aromatic |
| CAF | CAE | doub | 1.39Å | 1.46Å | Aromatic |
| CAF | NAA | sing | 1.32Å | 1.31Å | Aromatic |
| CAE | CAD | sing | 1.39Å | 1.36Å | Aromatic |
| NAA | CAB | doub | 1.33Å | 1.33Å | Aromatic |
| CAD | CAC | doub | 1.39Å | 1.43Å | Aromatic |
| FAN | CAM | sing | 1.40Å | 1.38Å | |
| CAB | CAC | sing | 1.39Å | 1.41Å | Aromatic |
| CAB | CAK | sing | 1.48Å | 1.47Å | |
| CAK | CAM | sing | 1.51Å | 1.46Å | |
| CAK | OAL | doub | 1.21Å | 1.35Å | |
| CAM | FAO | sing | 1.40Å | 1.31Å | |
| CAM | FAP | sing | 1.40Å | 1.37Å | |
| CAC | H3 | sing | 1.08Å | 1.08Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAH | H7 | sing | 1.09Å | 1.10Å | |
| CAH | H8 | sing | 1.09Å | 1.10Å | |
| CAI | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| NAS | H11 | sing | 0.97Å | 1.00Å | |
| CAU | H12 | sing | 1.08Å | 1.08Å | |
| CAX | H13 | sing | 1.08Å | 1.08Å | |
| CAZ | H14 | sing | 1.09Å | 1.10Å | |
| CAZ | H15 | sing | 1.09Å | 1.10Å | |
| NBA | H16 | sing | 1.01Å | 1.00Å | |
| NBA | H17 | sing | 1.01Å | 1.00Å | |
| NBB | H19 | sing | 0.97Å | 1.00Å | |
| CBC | H20 | sing | 1.09Å | 1.10Å | |
| CBC | H21 | sing | 1.09Å | 1.10Å | |
| CBD | H22 | sing | 1.09Å | 1.10Å | |
| CBD | H23 | sing | 1.09Å | 1.10Å | |
| CBF | H24 | sing | 1.09Å | 1.10Å | |
| CBF | H25 | sing | 1.09Å | 1.10Å | |
| CBF | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBC | CBD | OBE | 107.2° | 109.5° |
| CBD | CBC | NBB | 110.0° | 109.5° |
| CBD | CBC | H20 | 109.4° | 109.5° |
| CBD | CBC | H21 | 109.3° | 109.5° |
| CBC | CBD | H22 | 110.0° | 109.5° |
| CBC | CBD | H23 | 110.0° | 109.5° |
| CBD | OBE | CBF | 114.3° | 114.0° |
| OBE | CBD | H22 | 110.0° | 109.5° |
| OBE | CBD | H23 | 110.1° | 109.5° |
| CBC | NBB | CAV | 119.4° | 120.0° |
| CBC | NBB | H19 | 107.0° | 120.0° |
| NBB | CBC | H20 | 109.3° | 109.4° |
| NBB | CBC | H21 | 109.4° | 109.5° |
| OBE | CBF | H24 | 109.5° | 109.5° |
| OBE | CBF | H25 | 109.5° | 109.5° |
| OBE | CBF | H26 | 109.5° | 109.5° |
| NBB | CAV | CAU | 121.0° | 120.9° |
| NBB | CAV | CAW | 120.4° | 120.8° |
| CAV | NBB | H19 | 107.0° | 120.0° |
| OAR | CAQ | NAJ | 118.9° | 120.0° |
| OAR | CAQ | NAS | 120.7° | 119.9° |
| CAH | CAI | NAJ | 113.9° | 108.2° |
| CAI | CAH | CAG | 110.3° | 108.8° |
| CAI | CAH | H7 | 109.2° | 109.5° |
| CAI | CAH | H8 | 109.3° | 109.7° |
| CAH | CAI | H9 | 108.3° | 109.8° |
| CAH | CAI | H10 | 108.3° | 109.8° |
| CAI | NAJ | CAQ | 114.9° | 120.5° |
| CAI | NAJ | CAF | 121.2° | 119.2° |
| NAJ | CAI | H9 | 108.4° | 109.2° |
| NAJ | CAI | H10 | 108.4° | 110.0° |
| CAU | CAV | CAW | 118.6° | 118.4° |
| CAV | CAU | CAT | 118.6° | 119.0° |
| CAV | CAU | H12 | 120.7° | 120.5° |
| CAV | CAW | CAZ | 119.6° | 120.4° |
| CAV | CAW | CAX | 117.7° | 119.2° |
| CAH | CAG | CAE | 110.4° | 110.5° |
| CAH | CAG | H5 | 109.2° | 109.3° |
| CAH | CAG | H6 | 109.3° | 109.2° |
| CAG | CAH | H7 | 109.3° | 109.6° |
| CAG | CAH | H8 | 109.3° | 109.6° |
| CAU | CAT | NAS | 121.1° | 119.7° |
| CAU | CAT | NAY | 120.6° | 120.7° |
| CAT | CAU | H12 | 120.7° | 120.5° |
| NAJ | CAQ | NAS | 120.3° | 120.0° |
| CAQ | NAJ | CAF | 123.9° | 120.3° |
| CAQ | NAS | CAT | 124.8° | 120.0° |
| CAQ | NAS | H11 | 117.7° | 119.9° |
| NBA | CAZ | CAW | 174.1° | 109.4° |
| NBA | CAZ | H14 | 91.7° | 109.5° |
| NBA | CAZ | H15 | 91.7° | 109.4° |
| CAZ | NBA | H16 | 109.5° | 111.0° |
| CAZ | NBA | H17 | 109.5° | 111.0° |
| CAZ | CAW | CAX | 122.7° | 120.4° |
| CAW | CAZ | H14 | 91.7° | 109.5° |
| CAW | CAZ | H15 | 91.7° | 109.4° |
| CAW | CAX | NAY | 121.9° | 120.9° |
| CAW | CAX | H13 | 119.0° | 119.6° |
| NAJ | CAF | CAE | 118.0° | 120.5° |
| NAJ | CAF | NAA | 122.8° | 118.9° |
| NAS | CAT | NAY | 118.2° | 119.6° |
| CAT | NAS | H11 | 117.6° | 120.1° |
| CAT | NAY | CAX | 122.6° | 121.8° |
| CAG | CAE | CAF | 119.5° | 121.7° |
| CAG | CAE | CAD | 120.1° | 119.1° |
| CAE | CAG | H5 | 109.3° | 109.3° |
| CAE | CAG | H6 | 109.2° | 109.3° |
| NAY | CAX | H13 | 119.1° | 119.5° |
| CAE | CAF | NAA | 119.2° | 120.6° |
| CAF | CAE | CAD | 120.3° | 119.3° |
| CAF | NAA | CAB | 122.6° | 121.8° |
| CAE | CAD | CAC | 118.2° | 118.8° |
| CAE | CAD | H4 | 120.9° | 120.6° |
| NAA | CAB | CAC | 121.1° | 120.5° |
| NAA | CAB | CAK | 123.4° | 119.7° |
| CAD | CAC | CAB | 118.6° | 119.1° |
| CAD | CAC | H3 | 120.7° | 120.4° |
| CAC | CAD | H4 | 120.9° | 120.6° |
| FAN | CAM | CAK | 114.4° | 109.5° |
| FAN | CAM | FAO | 106.9° | 109.5° |
| FAN | CAM | FAP | 111.9° | 109.5° |
| CAC | CAB | CAK | 115.3° | 119.7° |
| CAB | CAC | H3 | 120.7° | 120.5° |
| CAB | CAK | CAM | 118.5° | 120.0° |
| CAB | CAK | OAL | 119.2° | 120.0° |
| CAM | CAK | OAL | 122.3° | 120.0° |
| CAK | CAM | FAO | 106.4° | 109.5° |
| CAK | CAM | FAP | 111.6° | 109.5° |
| FAO | CAM | FAP | 105.0° | 109.4° |
| H5 | CAG | H6 | 109.5° | 109.3° |
| H7 | CAH | H8 | 109.5° | 109.6° |
| H9 | CAI | H10 | 109.5° | 109.8° |
| H14 | CAZ | H15 | 109.5° | 109.5° |
| H16 | NBA | H17 | 109.5° | 111.0° |
| H20 | CBC | H21 | 109.5° | 109.5° |
| H22 | CBD | H23 | 109.5° | 109.5° |
| H24 | CBF | H25 | 109.5° | 109.4° |
| H24 | CBF | H26 | 109.5° | 109.5° |
| H25 | CBF | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBC | CBD | OBE | H22 | 119.6° | 120.0° |
| CBC | CBD | OBE | H23 | 119.7° | 120.0° |
| CBD | CBC | NBB | H20 | 120.1° | 120.0° |
| CBD | CBC | NBB | H21 | 120.1° | 120.0° |
| CBC | CBD | OBE | CBF | 132.5° | 180.0° |
| CBD | CBC | NBB | CAV | 125.0° | 180.0° |
| CBD | CBC | NBB | H19 | 3.6° | 0.0° |
| CBD | CBC | H20 | H21 | 119.8° | 120.0° |
| CBC | CBD | H22 | H23 | 121.1° | 120.0° |
| OBE | CBD | CBC | NBB | 21.0° | 65.0° |
| OBE | CBD | CBC | H20 | 141.0° | 55.0° |
| OBE | CBD | CBC | H21 | 99.1° | 175.0° |
| OBE | CBD | H22 | H23 | 121.1° | 120.0° |
| CBD | OBE | CBF | H24 | 180.0° | 60.0° |
| CBD | OBE | CBF | H25 | 60.0° | 60.0° |
| CBD | OBE | CBF | H26 | 60.0° | 180.0° |
| CBC | NBB | CAV | H19 | 121.4° | 180.0° |
| CBC | NBB | CAV | CAU | 62.9° | 0.0° |
| CBC | NBB | CAV | CAW | 117.4° | 180.0° |
| NBB | CBC | H20 | H21 | 119.8° | 120.0° |
| NBB | CBC | CBD | H22 | 140.6° | 175.0° |
| NBB | CBC | CBD | H23 | 98.7° | 55.0° |
| CBF | OBE | CBD | H22 | 107.8° | 60.0° |
| CBF | OBE | CBD | H23 | 12.9° | 60.0° |
| OBE | CBF | H24 | H25 | 120.0° | 120.0° |
| OBE | CBF | H24 | H26 | 120.0° | 120.0° |
| OBE | CBF | H25 | H26 | 120.0° | 120.0° |
| NBB | CAV | CAU | CAW | 179.7° | 180.0° |
| NBB | CAV | CAU | CAT | 179.7° | 179.9° |
| NBB | CAV | CAW | CAZ | 1.0° | 0.0° |
| NBB | CAV | CAW | CAX | 179.4° | 179.8° |
| NBB | CAV | CAU | H12 | 0.4° | 0.0° |
| CAV | NBB | CBC | H20 | 114.9° | 60.0° |
| CAV | NBB | CBC | H21 | 4.9° | 60.0° |
| OAR | CAQ | NAJ | CAI | 0.3° | 176.5° |
| OAR | CAQ | NAJ | NAS | 179.7° | 179.9° |
| OAR | CAQ | NAJ | CAF | 179.7° | 4.6° |
| OAR | CAQ | NAS | CAT | 1.9° | 6.6° |
| OAR | CAQ | NAS | H11 | 178.2° | 173.3° |
| CAH | CAI | NAJ | H9 | 120.6° | 119.5° |
| CAH | CAI | NAJ | H10 | 120.7° | 119.9° |
| CAI | CAH | CAG | H7 | 120.1° | 119.8° |
| CAI | CAH | CAG | H8 | 120.1° | 119.9° |
| CAH | CAI | NAJ | CAQ | 156.6° | 134.9° |
| CAH | CAI | NAJ | CAF | 24.0° | 44.0° |
| CAI | CAH | CAG | CAE | 57.0° | 51.1° |
| CAI | CAH | CAG | H5 | 63.2° | 69.2° |
| CAI | CAH | CAG | H6 | 177.1° | 171.3° |
| CAI | CAH | H7 | H8 | 119.6° | 120.4° |
| CAH | CAI | H9 | H10 | 118.0° | 120.8° |
| NAJ | CAI | CAH | CAG | 54.0° | 62.8° |
| CAI | NAJ | CAQ | CAF | 179.4° | 178.9° |
| CAI | NAJ | CAQ | NAS | 179.4° | 3.6° |
| CAI | NAJ | CAF | CAE | 5.4° | 12.7° |
| CAI | NAJ | CAF | NAA | 174.6° | 166.8° |
| NAJ | CAI | CAH | H7 | 174.1° | 177.4° |
| NAJ | CAI | CAH | H8 | 66.1° | 57.1° |
| NAJ | CAI | H9 | H10 | 118.0° | 120.7° |
| CAV | CAU | CAT | H12 | 180.0° | 179.9° |
| CAU | CAV | CAW | CAZ | 178.6° | 180.0° |
| CAU | CAV | CAW | CAX | 0.3° | 0.2° |
| CAV | CAU | CAT | NAS | 178.4° | 180.0° |
| CAV | CAU | CAT | NAY | 1.4° | 0.3° |
| CAU | CAV | NBB | H19 | 58.5° | 180.0° |
| CAW | CAV | CAU | CAT | 0.7° | 0.1° |
| CAV | CAW | CAZ | NBA | 57.5° | 79.7° |
| CAV | CAW | CAZ | CAX | 178.2° | 179.7° |
| CAV | CAW | CAX | NAY | 0.7° | 0.3° |
| CAW | CAV | CAU | H12 | 179.3° | 180.0° |
| CAV | CAW | CAX | H13 | 179.4° | 179.8° |
| CAV | CAW | CAZ | H14 | 177.3° | 160.3° |
| CAV | CAW | CAZ | H15 | 67.7° | 40.2° |
| CAW | CAV | NBB | H19 | 121.1° | 0.0° |
| CAH | CAG | CAE | H5 | 120.1° | 120.3° |
| CAH | CAG | CAE | H6 | 120.2° | 120.1° |
| CAH | CAG | CAE | CAF | 29.0° | 20.6° |
| CAH | CAG | CAE | CAD | 150.4° | 158.9° |
| CAH | CAG | H5 | H6 | 119.6° | 119.4° |
| CAG | CAH | H7 | H8 | 119.6° | 120.3° |
| CAG | CAH | CAI | H9 | 174.7° | 56.3° |
| CAG | CAH | CAI | H10 | 66.7° | 177.1° |
| CAU | CAT | NAS | CAQ | 35.7° | 21.9° |
| CAU | CAT | NAS | NAY | 177.1° | 179.7° |
| CAU | CAT | NAY | CAX | 1.1° | 0.3° |
| CAU | CAT | NAS | H11 | 144.3° | 158.0° |
| NAJ | CAQ | NAS | CAT | 178.5° | 173.3° |
| CAQ | NAJ | CAF | CAE | 173.9° | 166.2° |
| CAQ | NAJ | CAF | NAA | 6.1° | 14.3° |
| CAQ | NAJ | CAI | H9 | 36.0° | 105.6° |
| CAQ | NAJ | CAI | H10 | 82.7° | 15.0° |
| NAJ | CAQ | NAS | H11 | 1.5° | 6.8° |
| NAS | CAQ | NAJ | CAF | 0.0° | 175.3° |
| CAQ | NAS | CAT | H11 | 180.0° | 179.9° |
| CAQ | NAS | CAT | NAY | 147.2° | 158.4° |
| NBA | CAZ | CAW | H14 | 125.2° | 120.0° |
| NBA | CAZ | CAW | H15 | 125.2° | 119.9° |
| NBA | CAZ | CAW | CAX | 120.7° | 100.0° |
| NBA | CAZ | H14 | H15 | 92.4° | 120.0° |
| CAZ | NBA | H16 | H17 | 120.0° | 123.9° |
| CAZ | CAW | CAX | NAY | 178.9° | 180.0° |
| CAZ | CAW | CAX | H13 | 1.1° | 0.0° |
| CAW | CAZ | H14 | H15 | 92.4° | 120.0° |
| CAW | CAZ | NBA | H16 | 180.0° | 56.1° |
| CAW | CAZ | NBA | H17 | 60.0° | 180.0° |
| CAW | CAX | NAY | CAT | 0.0° | 0.0° |
| CAW | CAX | NAY | H13 | 180.0° | 180.0° |
| CAX | CAW | CAZ | H14 | 4.5° | 20.0° |
| CAX | CAW | CAZ | H15 | 114.1° | 140.0° |
| NAJ | CAF | CAE | CAG | 0.6° | 0.0° |
| NAJ | CAF | CAE | NAA | 180.0° | 179.5° |
| NAJ | CAF | CAE | CAD | 180.0° | 179.5° |
| NAJ | CAF | NAA | CAB | 178.8° | 179.8° |
| CAF | NAJ | CAI | H9 | 144.7° | 75.5° |
| CAF | NAJ | CAI | H10 | 96.6° | 163.9° |
| NAS | CAT | NAY | CAX | 178.2° | 180.0° |
| NAS | CAT | CAU | H12 | 1.6° | 0.1° |
| NAY | CAT | NAS | H11 | 32.8° | 21.7° |
| NAY | CAT | CAU | H12 | 178.6° | 179.8° |
| CAT | NAY | CAX | H13 | 180.0° | 180.0° |
| CAG | CAE | CAF | CAD | 179.4° | 179.5° |
| CAG | CAE | CAF | NAA | 179.4° | 179.5° |
| CAG | CAE | CAD | CAC | 179.5° | 179.8° |
| CAG | CAE | CAD | H4 | 0.5° | 0.2° |
| CAE | CAG | H5 | H6 | 119.6° | 119.6° |
| CAE | CAG | CAH | H7 | 177.1° | 170.9° |
| CAE | CAG | CAH | H8 | 63.2° | 68.8° |
| CAE | CAF | NAA | CAB | 1.2° | 0.7° |
| CAF | CAE | CAD | CAC | 0.1° | 0.7° |
| CAF | CAE | CAD | H4 | 179.9° | 179.4° |
| CAF | CAE | CAG | H5 | 91.2° | 99.7° |
| CAF | CAE | CAG | H6 | 149.1° | 140.7° |
| NAA | CAF | CAE | CAD | 0.0° | 1.0° |
| CAF | NAA | CAB | CAC | 2.3° | 0.1° |
| CAF | NAA | CAB | CAK | 177.6° | 179.7° |
| CAE | CAD | CAC | H4 | 180.0° | 179.9° |
| CAE | CAD | CAC | CAB | 1.0° | 0.1° |
| CAE | CAD | CAC | H3 | 179.0° | 180.0° |
| CAD | CAE | CAG | H5 | 89.5° | 80.7° |
| CAD | CAE | CAG | H6 | 30.2° | 38.8° |
| NAA | CAB | CAC | CAD | 2.2° | 0.3° |
| NAA | CAB | CAC | CAK | 175.6° | 179.8° |
| NAA | CAB | CAK | CAM | 26.8° | 3.0° |
| NAA | CAB | CAK | OAL | 150.5° | 177.0° |
| NAA | CAB | CAC | H3 | 177.8° | 179.7° |
| CAD | CAC | CAB | H3 | 180.0° | 179.9° |
| CAD | CAC | CAB | CAK | 177.8° | 179.9° |
| FAN | CAM | CAK | CAB | 42.8° | 126.4° |
| FAN | CAM | CAK | FAO | 117.8° | 120.0° |
| FAN | CAM | CAK | FAP | 128.3° | 120.0° |
| FAN | CAM | CAK | OAL | 134.5° | 53.6° |
| FAN | CAM | FAO | FAP | 118.9° | 120.0° |
| CAC | CAB | CAK | CAM | 148.7° | 176.9° |
| CAC | CAB | CAK | OAL | 33.9° | 3.1° |
| CAB | CAC | CAD | H4 | 179.1° | 180.0° |
| CAB | CAK | CAM | OAL | 177.3° | 180.0° |
| CAB | CAK | CAM | FAO | 75.0° | 113.6° |
| CAB | CAK | CAM | FAP | 171.1° | 6.4° |
| CAK | CAB | CAC | H3 | 2.2° | 0.1° |
| CAK | CAM | FAO | FAP | 118.4° | 120.0° |
| OAL | CAK | CAM | FAO | 107.7° | 66.4° |
| OAL | CAK | CAM | FAP | 6.2° | 173.6° |
| H3 | CAC | CAD | H4 | 1.0° | 0.0° |
| H5 | CAG | CAH | H7 | 56.9° | 50.6° |
| H5 | CAG | CAH | H8 | 176.7° | 170.8° |
| H6 | CAG | CAH | H7 | 62.8° | 68.9° |
| H6 | CAG | CAH | H8 | 57.0° | 51.4° |
| H7 | CAH | CAI | H9 | 65.2° | 63.5° |
| H7 | CAH | CAI | H10 | 53.5° | 57.3° |
| H8 | CAH | CAI | H9 | 54.5° | 176.2° |
| H8 | CAH | CAI | H10 | 173.2° | 63.0° |
| H14 | CAZ | NBA | H16 | 54.8° | 63.9° |
| H14 | CAZ | NBA | H17 | 65.2° | 60.0° |
| H15 | CAZ | NBA | H16 | 54.8° | 176.0° |
| H15 | CAZ | NBA | H17 | 174.8° | 60.1° |
| H19 | NBB | CBC | H20 | 123.7° | 120.0° |
| H19 | NBB | CBC | H21 | 116.5° | 120.0° |
| H20 | CBC | CBD | H22 | 99.3° | 65.0° |
| H20 | CBC | CBD | H23 | 21.4° | 175.0° |
| H21 | CBC | CBD | H22 | 20.5° | 55.0° |
| H21 | CBC | CBD | H23 | 141.2° | 65.0° |
| H24 | CBF | H25 | H26 | 120.0° | 120.0° |
