5FI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAB | CBB | sing | 1.40Å | 1.32Å | |
| FAD | CBB | sing | 1.40Å | 1.35Å | |
| CBB | FAC | sing | 1.40Å | 1.31Å | |
| CBB | CAU | sing | 1.51Å | 1.51Å | |
| CAU | CAI | doub | 1.37Å | 1.39Å | Aromatic |
| CAU | CAE | sing | 1.39Å | 1.38Å | Aromatic |
| CAI | CAX | sing | 1.40Å | 1.39Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAX | NAR | sing | 1.36Å | 1.34Å | Aromatic |
| CAX | CAY | doub | 1.41Å | 1.38Å | Aromatic |
| NAR | CAV | doub | 1.30Å | 1.35Å | Aromatic |
| CAA | CAJ | sing | 1.53Å | 1.50Å | |
| CAJ | C5 | sing | 1.51Å | 1.49Å | |
| CAF | CAY | sing | 1.39Å | 1.39Å | Aromatic |
| CAY | NAS | sing | 1.38Å | 1.34Å | Aromatic |
| CAV | NAS | sing | 1.36Å | 1.34Å | Aromatic |
| CAV | CAO | sing | 1.51Å | 1.51Å | |
| CAM | CAK | sing | 1.53Å | 1.54Å | |
| CAM | NBA | sing | 1.47Å | 1.46Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| CAO | NAZ | sing | 1.47Å | 1.48Å | |
| CAK | NAZ | sing | 1.47Å | 1.45Å | |
| C6 | N1 | sing | 1.33Å | 1.33Å | Aromatic |
| NAZ | CAL | sing | 1.47Å | 1.49Å | |
| NBA | C4 | sing | 1.39Å | 1.43Å | |
| NBA | CAN | sing | 1.47Å | 1.47Å | |
| C4 | N3 | doub | 1.33Å | 1.36Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| CAN | CAL | sing | 1.53Å | 1.52Å | |
| N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAO | H7 | sing | 1.09Å | 1.10Å | |
| CAO | H8 | sing | 1.09Å | 1.10Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.09Å | 1.10Å | |
| CAM | H16 | sing | 1.09Å | 1.10Å | |
| CAM | H17 | sing | 1.09Å | 1.10Å | |
| CAJ | H18 | sing | 1.09Å | 1.10Å | |
| CAJ | H19 | sing | 1.09Å | 1.10Å | |
| CAA | H20 | sing | 1.09Å | 1.10Å | |
| CAA | H21 | sing | 1.09Å | 1.10Å | |
| CAA | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.08Å | 1.08Å | |
| NAS | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAB | CBB | FAD | 110.9° | 109.5° |
| FAB | CBB | FAC | 110.9° | 109.4° |
| FAB | CBB | CAU | 107.1° | 109.5° |
| FAD | CBB | FAC | 103.8° | 109.5° |
| FAD | CBB | CAU | 116.9° | 109.5° |
| FAC | CBB | CAU | 107.2° | 109.5° |
| CBB | CAU | CAI | 123.4° | 119.7° |
| CBB | CAU | CAE | 116.7° | 119.7° |
| CAI | CAU | CAE | 119.8° | 120.7° |
| CAU | CAI | CAX | 120.2° | 119.9° |
| CAU | CAI | H4 | 119.9° | 120.0° |
| CAU | CAE | CAF | 120.2° | 120.4° |
| CAU | CAE | H2 | 119.9° | 119.8° |
| CAI | CAX | NAR | 134.4° | 133.6° |
| CAI | CAX | CAY | 119.5° | 119.5° |
| CAX | CAI | H4 | 119.9° | 120.1° |
| CAE | CAF | CAY | 119.5° | 119.7° |
| CAF | CAE | H2 | 119.9° | 119.8° |
| CAE | CAF | H3 | 120.3° | 120.1° |
| NAR | CAX | CAY | 106.1° | 106.9° |
| CAX | NAR | CAV | 109.2° | 109.7° |
| CAX | CAY | CAF | 120.7° | 119.9° |
| CAX | CAY | NAS | 108.4° | 106.0° |
| NAR | CAV | NAS | 107.8° | 110.1° |
| NAR | CAV | CAO | 128.6° | 124.9° |
| CAA | CAJ | C5 | 113.4° | 109.5° |
| CAA | CAJ | H18 | 108.5° | 109.5° |
| CAA | CAJ | H19 | 108.5° | 109.5° |
| CAJ | CAA | H20 | 109.5° | 109.5° |
| CAJ | CAA | H21 | 109.5° | 109.4° |
| CAJ | CAA | H22 | 109.4° | 109.4° |
| CAJ | C5 | C6 | 115.7° | 120.8° |
| CAJ | C5 | C4 | 124.5° | 120.9° |
| C5 | CAJ | H18 | 108.5° | 109.5° |
| C5 | CAJ | H19 | 108.5° | 109.5° |
| CAF | CAY | NAS | 130.9° | 134.1° |
| CAY | CAF | H3 | 120.2° | 120.2° |
| CAY | NAS | CAV | 108.5° | 107.3° |
| CAY | NAS | H5 | 125.8° | 126.3° |
| NAS | CAV | CAO | 123.5° | 125.0° |
| CAV | NAS | H5 | 125.8° | 126.3° |
| CAV | CAO | NAZ | 105.4° | 109.5° |
| CAV | CAO | H7 | 110.5° | 109.5° |
| CAV | CAO | H8 | 110.5° | 109.5° |
| CAK | CAM | NBA | 112.0° | 109.3° |
| CAM | CAK | NAZ | 105.9° | 109.4° |
| CAM | CAK | H14 | 110.4° | 109.5° |
| CAM | CAK | H15 | 110.4° | 109.5° |
| CAK | CAM | H16 | 108.8° | 109.5° |
| CAK | CAM | H17 | 108.8° | 109.5° |
| CAM | NBA | C4 | 118.8° | 111.0° |
| CAM | NBA | CAN | 120.9° | 110.9° |
| NBA | CAM | H16 | 108.9° | 109.5° |
| NBA | CAM | H17 | 108.9° | 109.5° |
| C6 | C5 | C4 | 119.8° | 118.3° |
| C5 | C6 | N1 | 120.2° | 119.2° |
| C5 | C6 | H1 | 119.9° | 120.4° |
| C5 | C4 | NBA | 125.1° | 120.5° |
| C5 | C4 | N3 | 116.4° | 118.9° |
| CAO | NAZ | CAK | 108.1° | 111.0° |
| CAO | NAZ | CAL | 119.3° | 111.0° |
| NAZ | CAO | H7 | 110.5° | 109.4° |
| NAZ | CAO | H8 | 110.5° | 109.6° |
| CAK | NAZ | CAL | 104.7° | 110.9° |
| NAZ | CAK | H14 | 110.3° | 109.5° |
| NAZ | CAK | H15 | 110.3° | 109.5° |
| C6 | N1 | C2 | 120.2° | 121.0° |
| N1 | C6 | H1 | 119.9° | 120.4° |
| NAZ | CAL | CAN | 109.9° | 109.4° |
| NAZ | CAL | H10 | 109.3° | 109.5° |
| NAZ | CAL | H11 | 109.4° | 109.5° |
| C4 | NBA | CAN | 120.2° | 111.0° |
| NBA | C4 | N3 | 118.5° | 120.5° |
| NBA | CAN | CAL | 113.4° | 109.3° |
| NBA | CAN | H12 | 108.5° | 109.5° |
| NBA | CAN | H13 | 108.5° | 109.5° |
| C4 | N3 | C2 | 121.8° | 120.7° |
| N1 | C2 | N3 | 121.7° | 121.8° |
| N1 | C2 | H23 | 119.2° | 119.1° |
| CAN | CAL | H10 | 109.4° | 109.5° |
| CAN | CAL | H11 | 109.4° | 109.5° |
| CAL | CAN | H12 | 108.5° | 109.5° |
| CAL | CAN | H13 | 108.5° | 109.6° |
| N3 | C2 | H23 | 119.2° | 119.1° |
| H7 | CAO | H8 | 109.5° | 109.4° |
| H10 | CAL | H11 | 109.5° | 109.5° |
| H12 | CAN | H13 | 109.5° | 109.5° |
| H14 | CAK | H15 | 109.5° | 109.5° |
| H16 | CAM | H17 | 109.5° | 109.5° |
| H18 | CAJ | H19 | 109.4° | 109.4° |
| H20 | CAA | H21 | 109.5° | 109.5° |
| H20 | CAA | H22 | 109.5° | 109.5° |
| H21 | CAA | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAB | CBB | FAD | FAC | 119.1° | 120.0° |
| FAB | CBB | FAD | CAU | 123.2° | 120.0° |
| FAB | CBB | FAC | CAU | 116.6° | 120.0° |
| FAB | CBB | CAU | CAI | 9.6° | 90.0° |
| FAB | CBB | CAU | CAE | 169.5° | 89.8° |
| FAD | CBB | FAC | CAU | 124.3° | 120.0° |
| FAD | CBB | CAU | CAI | 115.5° | 149.9° |
| FAD | CBB | CAU | CAE | 65.4° | 30.3° |
| FAC | CBB | CAU | CAI | 128.7° | 30.0° |
| FAC | CBB | CAU | CAE | 50.4° | 150.2° |
| CBB | CAU | CAI | CAE | 179.1° | 179.8° |
| CBB | CAU | CAI | CAX | 179.4° | 180.0° |
| CBB | CAU | CAE | CAF | 179.7° | 180.0° |
| CBB | CAU | CAE | H2 | 0.3° | 0.1° |
| CBB | CAU | CAI | H4 | 0.6° | 0.0° |
| CAU | CAI | CAX | H4 | 180.0° | 180.0° |
| CAI | CAU | CAE | CAF | 1.1° | 0.2° |
| CAU | CAI | CAX | NAR | 178.9° | 180.0° |
| CAU | CAI | CAX | CAY | 1.9° | 0.0° |
| CAI | CAU | CAE | H2 | 178.9° | 179.7° |
| CAE | CAU | CAI | CAX | 1.5° | 0.2° |
| CAU | CAE | CAF | H2 | 180.0° | 179.9° |
| CAU | CAE | CAF | CAY | 1.2° | 0.1° |
| CAU | CAE | CAF | H3 | 178.8° | 180.0° |
| CAE | CAU | CAI | H4 | 178.5° | 179.8° |
| CAI | CAX | NAR | CAY | 179.3° | 180.0° |
| CAI | CAX | NAR | CAV | 178.7° | 179.7° |
| CAI | CAX | CAY | CAF | 2.0° | 0.2° |
| CAI | CAX | CAY | NAS | 178.3° | 180.0° |
| CAE | CAF | CAY | CAX | 1.7° | 0.3° |
| CAE | CAF | CAY | H3 | 180.0° | 179.9° |
| CAE | CAF | CAY | NAS | 178.8° | 180.0° |
| NAR | CAX | CAY | CAF | 178.6° | 179.8° |
| NAR | CAX | CAY | NAS | 1.1° | 0.1° |
| CAX | NAR | CAV | NAS | 0.2° | 0.5° |
| CAX | NAR | CAV | CAO | 178.9° | 180.0° |
| NAR | CAX | CAI | H4 | 1.1° | 0.0° |
| CAY | CAX | NAR | CAV | 0.5° | 0.3° |
| CAX | CAY | CAF | NAS | 179.6° | 179.8° |
| CAX | CAY | NAS | CAV | 1.2° | 0.2° |
| CAX | CAY | CAF | H3 | 178.3° | 179.8° |
| CAY | CAX | CAI | H4 | 178.1° | 180.0° |
| CAX | CAY | NAS | H5 | 178.8° | 179.8° |
| NAR | CAV | NAS | CAY | 0.8° | 0.4° |
| NAR | CAV | NAS | CAO | 178.9° | 179.5° |
| NAR | CAV | CAO | NAZ | 93.2° | 85.0° |
| NAR | CAV | CAO | H7 | 26.1° | 35.0° |
| NAR | CAV | CAO | H8 | 147.4° | 154.9° |
| NAR | CAV | NAS | H5 | 179.2° | 179.6° |
| CAA | CAJ | C5 | H18 | 120.6° | 120.1° |
| CAA | CAJ | C5 | H19 | 120.6° | 120.0° |
| CAA | CAJ | C5 | C6 | 97.6° | 94.4° |
| CAA | CAJ | C5 | C4 | 83.5° | 85.6° |
| CAA | CAJ | H18 | H19 | 118.2° | 119.9° |
| CAJ | CAA | H20 | H21 | 120.0° | 119.9° |
| CAJ | CAA | H20 | H22 | 120.0° | 120.0° |
| CAJ | CAA | H21 | H22 | 120.0° | 119.9° |
| CAJ | C5 | C6 | C4 | 179.0° | 180.0° |
| CAJ | C5 | C6 | N1 | 179.0° | 180.0° |
| CAJ | C5 | C4 | NBA | 3.2° | 0.3° |
| CAJ | C5 | C4 | N3 | 179.3° | 180.0° |
| CAJ | C5 | C6 | H1 | 1.0° | 0.0° |
| C5 | CAJ | H18 | H19 | 118.2° | 120.0° |
| C5 | CAJ | CAA | H20 | 180.0° | 175.9° |
| C5 | CAJ | CAA | H21 | 60.0° | 55.9° |
| C5 | CAJ | CAA | H22 | 60.0° | 64.0° |
| CAF | CAY | NAS | CAV | 178.4° | 180.0° |
| CAY | CAF | CAE | H2 | 178.8° | 180.0° |
| CAF | CAY | NAS | H5 | 1.5° | 0.0° |
| CAY | NAS | CAV | H5 | 180.0° | 180.0° |
| CAY | NAS | CAV | CAO | 179.7° | 179.9° |
| NAS | CAY | CAF | H3 | 1.2° | 0.0° |
| NAS | CAV | CAO | NAZ | 85.4° | 94.4° |
| NAS | CAV | CAO | H7 | 155.3° | 145.6° |
| NAS | CAV | CAO | H8 | 34.0° | 25.7° |
| CAV | CAO | NAZ | H7 | 119.3° | 120.0° |
| CAV | CAO | NAZ | H8 | 119.4° | 120.0° |
| CAV | CAO | NAZ | CAK | 135.5° | 66.2° |
| CAV | CAO | NAZ | CAL | 105.3° | 170.0° |
| CAV | CAO | H7 | H8 | 121.9° | 119.9° |
| CAO | CAV | NAS | H5 | 0.3° | 0.1° |
| CAK | CAM | NBA | H16 | 120.4° | 119.9° |
| CAK | CAM | NBA | H17 | 120.4° | 119.9° |
| CAM | CAK | NAZ | CAO | 156.4° | 176.8° |
| CAM | CAK | NAZ | H14 | 119.4° | 120.0° |
| CAM | CAK | NAZ | H15 | 119.5° | 120.0° |
| CAM | CAK | NAZ | CAL | 75.5° | 59.3° |
| CAK | CAM | NBA | C4 | 154.4° | 176.8° |
| CAK | CAM | NBA | CAN | 28.7° | 59.3° |
| CAM | CAK | H14 | H15 | 121.7° | 120.0° |
| CAK | CAM | H16 | H17 | 118.8° | 120.1° |
| CAM | NBA | C4 | C5 | 42.9° | 116.2° |
| NBA | CAM | CAK | NAZ | 54.7° | 58.4° |
| CAM | NBA | C4 | CAN | 177.0° | 123.8° |
| CAM | NBA | C4 | N3 | 139.6° | 64.1° |
| CAM | NBA | CAN | CAL | 22.2° | 59.4° |
| CAM | NBA | CAN | H12 | 98.4° | 179.3° |
| CAM | NBA | CAN | H13 | 142.8° | 60.7° |
| NBA | CAM | CAK | H14 | 64.7° | 178.4° |
| NBA | CAM | CAK | H15 | 174.2° | 61.6° |
| NBA | CAM | H16 | H17 | 118.9° | 120.1° |
| C5 | C6 | N1 | H1 | 180.0° | 179.9° |
| C6 | C5 | C4 | NBA | 177.9° | 179.7° |
| C6 | C5 | C4 | N3 | 0.4° | 0.0° |
| C5 | C6 | N1 | C2 | 0.2° | 0.0° |
| C6 | C5 | CAJ | H18 | 23.0° | 25.7° |
| C6 | C5 | CAJ | H19 | 141.9° | 145.6° |
| C4 | C5 | C6 | N1 | 0.1° | 0.0° |
| C5 | C4 | NBA | N3 | 177.5° | 179.7° |
| C5 | C4 | NBA | CAN | 134.1° | 120.1° |
| C5 | C4 | N3 | C2 | 0.9° | 0.0° |
| C4 | C5 | C6 | H1 | 179.9° | 180.0° |
| C4 | C5 | CAJ | H18 | 155.9° | 154.3° |
| C4 | C5 | CAJ | H19 | 37.0° | 34.4° |
| CAO | NAZ | CAK | CAL | 128.1° | 123.9° |
| CAO | NAZ | CAL | CAN | 169.4° | 176.8° |
| NAZ | CAO | H7 | H8 | 121.9° | 120.1° |
| CAO | NAZ | CAL | H10 | 70.6° | 63.2° |
| CAO | NAZ | CAL | H11 | 49.3° | 56.8° |
| CAO | NAZ | CAK | H14 | 84.1° | 56.8° |
| CAO | NAZ | CAK | H15 | 36.9° | 63.2° |
| CAK | NAZ | CAL | CAN | 69.7° | 59.3° |
| CAK | NAZ | CAO | H7 | 16.2° | 53.8° |
| CAK | NAZ | CAO | H8 | 105.1° | 173.8° |
| CAK | NAZ | CAL | H10 | 50.4° | 60.7° |
| CAK | NAZ | CAL | H11 | 170.3° | 179.3° |
| NAZ | CAK | H14 | H15 | 121.6° | 120.1° |
| NAZ | CAK | CAM | H16 | 65.7° | 61.6° |
| NAZ | CAK | CAM | H17 | 175.1° | 178.4° |
| C6 | N1 | C2 | N3 | 0.6° | 0.1° |
| C6 | N1 | C2 | H23 | 179.4° | 180.0° |
| NAZ | CAL | CAN | NBA | 41.2° | 58.4° |
| NAZ | CAL | CAN | H10 | 120.1° | 120.0° |
| NAZ | CAL | CAN | H11 | 120.1° | 120.0° |
| CAL | NAZ | CAO | H7 | 135.4° | 70.0° |
| CAL | NAZ | CAO | H8 | 14.1° | 49.9° |
| NAZ | CAL | H10 | H11 | 119.8° | 120.1° |
| NAZ | CAL | CAN | H12 | 79.4° | 178.4° |
| NAZ | CAL | CAN | H13 | 161.8° | 61.6° |
| CAL | NAZ | CAK | H14 | 44.0° | 179.3° |
| CAL | NAZ | CAK | H15 | 165.1° | 60.6° |
| C4 | NBA | CAN | CAL | 160.9° | 176.8° |
| NBA | C4 | N3 | C2 | 178.6° | 179.7° |
| C4 | NBA | CAN | H12 | 78.5° | 56.9° |
| C4 | NBA | CAN | H13 | 40.3° | 63.2° |
| C4 | NBA | CAM | H16 | 85.3° | 63.2° |
| C4 | NBA | CAM | H17 | 34.0° | 56.9° |
| CAN | NBA | C4 | N3 | 43.4° | 59.6° |
| NBA | CAN | CAL | H12 | 120.6° | 120.0° |
| NBA | CAN | CAL | H13 | 120.6° | 120.0° |
| NBA | CAN | CAL | H10 | 78.9° | 61.6° |
| NBA | CAN | CAL | H11 | 161.3° | 178.4° |
| NBA | CAN | H12 | H13 | 118.2° | 120.0° |
| CAN | NBA | CAM | H16 | 91.7° | 60.6° |
| CAN | NBA | CAM | H17 | 149.1° | 179.3° |
| C4 | N3 | C2 | N1 | 1.0° | 0.0° |
| C4 | N3 | C2 | H23 | 179.0° | 179.9° |
| N1 | C2 | N3 | H23 | 180.0° | 179.9° |
| C2 | N1 | C6 | H1 | 179.8° | 180.0° |
| CAN | CAL | H10 | H11 | 119.8° | 120.0° |
| CAL | CAN | H12 | H13 | 118.2° | 120.1° |
| H2 | CAE | CAF | H3 | 1.2° | 0.1° |
| H10 | CAL | CAN | H12 | 160.6° | 58.4° |
| H10 | CAL | CAN | H13 | 41.7° | 178.4° |
| H11 | CAL | CAN | H12 | 40.7° | 61.7° |
| H11 | CAL | CAN | H13 | 78.1° | 58.4° |
| H14 | CAK | CAM | H16 | 174.9° | 58.4° |
| H14 | CAK | CAM | H17 | 55.7° | 61.6° |
| H15 | CAK | CAM | H16 | 53.8° | 178.5° |
| H15 | CAK | CAM | H17 | 65.4° | 58.4° |
| H18 | CAJ | CAA | H20 | 59.4° | 64.0° |
| H18 | CAJ | CAA | H21 | 60.6° | 176.0° |
| H18 | CAJ | CAA | H22 | 179.4° | 56.0° |
| H19 | CAJ | CAA | H20 | 59.4° | 55.9° |
| H19 | CAJ | CAA | H21 | 179.4° | 64.0° |
| H19 | CAJ | CAA | H22 | 60.6° | 176.0° |
| H20 | CAA | H21 | H22 | 120.0° | 120.1° |
