YF7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OBC | PBB | doub | 1.48Å | 1.51Å | |
| OBD | PBB | sing | 1.61Å | 1.65Å | |
| PBB | OBE | sing | 1.61Å | 1.67Å | |
| PBB | CAS | sing | 1.82Å | 1.85Å | |
| CAS | NAR | sing | 1.47Å | 1.49Å | |
| CAS | CAT | sing | 1.53Å | 1.55Å | |
| NAR | C4 | sing | 1.38Å | 1.36Å | |
| C4 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.37Å | Aromatic |
| CAT | CAU | sing | 1.51Å | 1.39Å | |
| N3 | C2 | sing | 1.32Å | 1.40Å | Aromatic |
| CAM | C5 | sing | 1.45Å | 1.40Å | Aromatic |
| CAM | CAI | doub | 1.33Å | 1.36Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.37Å | Aromatic |
| C2 | N1 | doub | 1.31Å | 1.39Å | Aromatic |
| CAD | CAC | doub | 1.38Å | 1.41Å | Aromatic |
| CAD | CAE | sing | 1.40Å | 1.42Å | Aromatic |
| CAI | CAE | sing | 1.48Å | 1.38Å | |
| CAI | SAJ | sing | 1.75Å | 1.81Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.42Å | Aromatic |
| CAE | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | N1 | sing | 1.34Å | 1.36Å | Aromatic |
| C6 | SAJ | sing | 1.76Å | 1.74Å | Aromatic |
| CAB | CAG | sing | 1.51Å | 1.39Å | |
| CAB | CAA | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAA | sing | 1.38Å | 1.38Å | Aromatic |
| CAU | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAU | CAZ | sing | 1.38Å | 1.40Å | Aromatic |
| CAA | CLA | sing | 1.74Å | 1.84Å | |
| CAV | CAW | sing | 1.38Å | 1.40Å | Aromatic |
| CAZ | CAY | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | CAX | doub | 1.38Å | 1.40Å | Aromatic |
| CAY | CAX | sing | 1.38Å | 1.40Å | Aromatic |
| CAY | FBA | sing | 1.35Å | 1.32Å | |
| CAF | H1 | sing | 1.08Å | 1.08Å | |
| CAG | H2 | sing | 1.09Å | 1.10Å | |
| CAG | H3 | sing | 1.09Å | 1.10Å | |
| CAG | H4 | sing | 1.09Å | 1.10Å | |
| CAC | H5 | sing | 1.08Å | 1.08Å | |
| CAD | H6 | sing | 1.08Å | 1.08Å | |
| CAM | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| NAR | H9 | sing | 0.97Å | 1.00Å | |
| CAS | H10 | sing | 1.09Å | 1.10Å | |
| OBD | H11 | sing | 0.97Å | 0.95Å | |
| OBE | H12 | sing | 0.97Å | 0.95Å | |
| CAT | H13 | sing | 1.09Å | 1.10Å | |
| CAT | H14 | sing | 1.09Å | 1.10Å | |
| CAZ | H15 | sing | 1.08Å | 1.08Å | |
| CAX | H16 | sing | 1.08Å | 1.08Å | |
| CAW | H17 | sing | 1.08Å | 1.08Å | |
| CAV | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OBC | PBB | OBD | 114.4° | 109.4° |
| OBC | PBB | OBE | 114.6° | 109.4° |
| OBC | PBB | CAS | 107.1° | 109.5° |
| OBD | PBB | OBE | 106.4° | 109.5° |
| OBD | PBB | CAS | 107.4° | 109.5° |
| PBB | OBD | H11 | 109.5° | 113.9° |
| OBE | PBB | CAS | 106.5° | 109.5° |
| PBB | OBE | H12 | 109.5° | 114.0° |
| PBB | CAS | NAR | 107.0° | 109.5° |
| PBB | CAS | CAT | 111.0° | 109.5° |
| PBB | CAS | H10 | 106.3° | 109.5° |
| NAR | CAS | CAT | 112.4° | 109.5° |
| CAS | NAR | C4 | 123.7° | 120.0° |
| CAS | NAR | H9 | 105.8° | 120.0° |
| NAR | CAS | H10 | 110.4° | 109.5° |
| CAS | CAT | CAU | 105.2° | 109.5° |
| CAT | CAS | H10 | 109.6° | 109.5° |
| CAS | CAT | H13 | 110.5° | 109.5° |
| CAS | CAT | H14 | 110.5° | 109.5° |
| NAR | C4 | N3 | 120.1° | 120.5° |
| NAR | C4 | C5 | 117.2° | 120.5° |
| C4 | NAR | H9 | 105.8° | 120.0° |
| N3 | C4 | C5 | 122.7° | 119.0° |
| C4 | N3 | C2 | 120.5° | 121.2° |
| C4 | C5 | CAM | 128.5° | 130.3° |
| C4 | C5 | C6 | 116.4° | 117.5° |
| CAT | CAU | CAV | 120.5° | 120.0° |
| CAT | CAU | CAZ | 119.0° | 120.0° |
| CAU | CAT | H13 | 110.5° | 109.5° |
| CAU | CAT | H14 | 110.5° | 109.4° |
| N3 | C2 | N1 | 117.0° | 122.2° |
| N3 | C2 | H8 | 121.5° | 118.9° |
| C5 | CAM | CAI | 116.7° | 114.6° |
| CAM | C5 | C6 | 115.0° | 112.1° |
| C5 | CAM | H7 | 121.6° | 122.7° |
| CAM | CAI | CAE | 128.6° | 124.3° |
| CAM | CAI | SAJ | 106.1° | 111.2° |
| CAI | CAM | H7 | 121.7° | 122.7° |
| C5 | C6 | N1 | 122.7° | 119.0° |
| C5 | C6 | SAJ | 108.5° | 109.8° |
| C2 | N1 | C6 | 120.6° | 121.1° |
| N1 | C2 | H8 | 121.5° | 118.9° |
| CAC | CAD | CAE | 121.2° | 119.9° |
| CAD | CAC | CAB | 119.7° | 120.1° |
| CAD | CAC | H5 | 120.2° | 119.9° |
| CAC | CAD | H6 | 119.4° | 120.1° |
| CAD | CAE | CAI | 125.2° | 120.1° |
| CAD | CAE | CAF | 117.1° | 119.7° |
| CAE | CAD | H6 | 119.4° | 120.0° |
| CAE | CAI | SAJ | 125.3° | 124.4° |
| CAI | CAE | CAF | 117.7° | 120.2° |
| CAI | SAJ | C6 | 93.7° | 92.2° |
| CAC | CAB | CAG | 123.0° | 119.8° |
| CAC | CAB | CAA | 119.1° | 120.3° |
| CAB | CAC | H5 | 120.1° | 120.0° |
| CAE | CAF | CAA | 122.7° | 119.9° |
| CAE | CAF | H1 | 118.7° | 120.1° |
| N1 | C6 | SAJ | 128.9° | 131.2° |
| CAG | CAB | CAA | 117.9° | 119.9° |
| CAB | CAG | H2 | 109.5° | 109.4° |
| CAB | CAG | H3 | 109.4° | 109.5° |
| CAB | CAG | H4 | 109.5° | 109.5° |
| CAB | CAA | CAF | 120.2° | 120.1° |
| CAB | CAA | CLA | 121.0° | 120.0° |
| CAF | CAA | CLA | 118.8° | 120.0° |
| CAA | CAF | H1 | 118.7° | 120.0° |
| CAV | CAU | CAZ | 120.4° | 120.0° |
| CAU | CAV | CAW | 119.7° | 120.0° |
| CAU | CAV | H18 | 120.2° | 120.0° |
| CAU | CAZ | CAY | 119.7° | 120.0° |
| CAU | CAZ | H15 | 120.1° | 120.0° |
| CAV | CAW | CAX | 119.9° | 120.1° |
| CAV | CAW | H17 | 120.0° | 120.0° |
| CAW | CAV | H18 | 120.2° | 120.0° |
| CAZ | CAY | CAX | 120.2° | 120.0° |
| CAZ | CAY | FBA | 118.1° | 120.0° |
| CAY | CAZ | H15 | 120.1° | 120.0° |
| CAW | CAX | CAY | 120.1° | 119.9° |
| CAW | CAX | H16 | 119.9° | 120.0° |
| CAX | CAW | H17 | 120.0° | 119.9° |
| CAX | CAY | FBA | 121.7° | 120.0° |
| CAY | CAX | H16 | 120.0° | 120.0° |
| H2 | CAG | H3 | 109.5° | 109.4° |
| H2 | CAG | H4 | 109.4° | 109.5° |
| H3 | CAG | H4 | 109.5° | 109.5° |
| H13 | CAT | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OBC | PBB | OBD | OBE | 127.6° | 120.0° |
| OBC | PBB | OBD | CAS | 118.7° | 120.0° |
| OBC | PBB | OBE | CAS | 118.2° | 120.0° |
| OBC | PBB | CAS | NAR | 50.2° | 69.7° |
| OBC | PBB | CAS | CAT | 173.2° | 50.3° |
| OBC | PBB | CAS | H10 | 67.7° | 170.3° |
| OBC | PBB | OBD | H11 | 0.0° | 180.0° |
| OBC | PBB | OBE | H12 | 0.0° | 60.0° |
| OBD | PBB | OBE | CAS | 114.4° | 120.0° |
| OBD | PBB | CAS | NAR | 173.5° | 170.3° |
| OBD | PBB | CAS | CAT | 63.5° | 69.7° |
| OBD | PBB | CAS | H10 | 55.6° | 50.3° |
| OBD | PBB | OBE | H12 | 127.4° | 59.9° |
| OBE | PBB | CAS | NAR | 72.8° | 50.3° |
| OBE | PBB | CAS | CAT | 50.2° | 170.3° |
| OBE | PBB | CAS | H10 | 169.3° | 69.7° |
| OBE | PBB | OBD | H11 | 127.6° | 60.0° |
| PBB | CAS | NAR | CAT | 122.2° | 120.0° |
| PBB | CAS | NAR | H10 | 115.2° | 120.0° |
| PBB | CAS | CAT | H10 | 117.1° | 120.0° |
| PBB | CAS | NAR | C4 | 133.9° | 105.1° |
| PBB | CAS | CAT | CAU | 173.6° | 60.0° |
| PBB | CAS | NAR | H9 | 104.1° | 74.9° |
| CAS | PBB | OBD | H11 | 118.7° | 60.0° |
| CAS | PBB | OBE | H12 | 118.2° | 180.0° |
| PBB | CAS | CAT | H13 | 54.3° | 60.0° |
| PBB | CAS | CAT | H14 | 67.1° | 180.0° |
| NAR | CAS | CAT | H10 | 123.1° | 120.0° |
| CAS | NAR | C4 | H9 | 121.9° | 180.0° |
| CAS | NAR | C4 | N3 | 3.5° | 4.8° |
| CAS | NAR | C4 | C5 | 175.8° | 174.9° |
| NAR | CAS | CAT | CAU | 66.6° | 180.0° |
| NAR | CAS | CAT | H13 | 174.1° | 60.0° |
| NAR | CAS | CAT | H14 | 52.7° | 60.0° |
| CAT | CAS | NAR | C4 | 103.9° | 134.8° |
| CAS | CAT | CAU | H13 | 119.3° | 120.0° |
| CAS | CAT | CAU | H14 | 119.3° | 120.0° |
| CAS | CAT | CAU | CAV | 80.4° | 90.0° |
| CAS | CAT | CAU | CAZ | 96.0° | 89.7° |
| CAT | CAS | NAR | H9 | 18.0° | 45.1° |
| CAS | CAT | H13 | H14 | 122.0° | 120.0° |
| NAR | C4 | N3 | C5 | 179.2° | 179.7° |
| NAR | C4 | N3 | C2 | 179.3° | 179.9° |
| NAR | C4 | C5 | CAM | 0.6° | 0.2° |
| NAR | C4 | C5 | C6 | 179.6° | 180.0° |
| C4 | NAR | CAS | H10 | 18.7° | 14.8° |
| N3 | C4 | C5 | CAM | 179.8° | 179.9° |
| N3 | C4 | C5 | C6 | 0.4° | 0.3° |
| C4 | N3 | C2 | N1 | 0.2° | 0.2° |
| C4 | N3 | C2 | H8 | 179.9° | 179.8° |
| N3 | C4 | NAR | H9 | 125.4° | 175.2° |
| C5 | C4 | N3 | C2 | 0.1° | 0.4° |
| C4 | C5 | CAM | C6 | 179.8° | 179.8° |
| C4 | C5 | CAM | CAI | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 0.5° | 0.1° |
| C4 | C5 | C6 | SAJ | 179.9° | 179.8° |
| C4 | C5 | CAM | H7 | 0.0° | 0.1° |
| C5 | C4 | NAR | H9 | 53.9° | 5.1° |
| CAT | CAU | CAV | CAZ | 176.4° | 179.7° |
| CAT | CAU | CAV | CAW | 178.1° | 179.7° |
| CAT | CAU | CAZ | CAY | 177.6° | 180.0° |
| CAU | CAT | CAS | H10 | 56.5° | 60.0° |
| CAU | CAT | H13 | H14 | 122.0° | 120.0° |
| CAT | CAU | CAZ | H15 | 2.4° | 0.0° |
| CAT | CAU | CAV | H18 | 1.9° | 0.0° |
| N3 | C2 | N1 | H8 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.1° | 0.0° |
| C5 | CAM | CAI | H7 | 180.0° | 179.9° |
| C5 | CAM | CAI | CAE | 179.3° | 180.0° |
| C5 | CAM | CAI | SAJ | 0.1° | 0.2° |
| CAM | C5 | C6 | N1 | 179.7° | 180.0° |
| CAM | C5 | C6 | SAJ | 0.1° | 0.1° |
| CAI | CAM | C5 | C6 | 0.1° | 0.1° |
| CAM | CAI | CAE | CAD | 17.3° | 179.7° |
| CAM | CAI | CAE | SAJ | 179.0° | 179.7° |
| CAM | CAI | CAE | CAF | 162.5° | 0.8° |
| CAM | CAI | SAJ | C6 | 0.1° | 0.2° |
| C5 | C6 | N1 | C2 | 0.2° | 0.0° |
| C5 | C6 | SAJ | CAI | 0.0° | 0.2° |
| C5 | C6 | N1 | SAJ | 179.5° | 179.9° |
| C6 | C5 | CAM | H7 | 179.9° | 180.0° |
| C2 | N1 | C6 | SAJ | 179.8° | 179.9° |
| CAC | CAD | CAE | H6 | 180.0° | 179.9° |
| CAC | CAD | CAE | CAI | 179.7° | 180.0° |
| CAD | CAC | CAB | H5 | 180.0° | 179.9° |
| CAC | CAD | CAE | CAF | 0.6° | 0.5° |
| CAD | CAC | CAB | CAG | 178.9° | 180.0° |
| CAD | CAC | CAB | CAA | 1.9° | 0.1° |
| CAD | CAE | CAI | CAF | 179.8° | 179.5° |
| CAD | CAE | CAI | SAJ | 163.7° | 0.0° |
| CAE | CAD | CAC | CAB | 1.3° | 0.2° |
| CAD | CAE | CAF | CAA | 0.5° | 0.5° |
| CAD | CAE | CAF | H1 | 179.5° | 179.8° |
| CAE | CAD | CAC | H5 | 178.7° | 179.8° |
| CAE | CAI | SAJ | C6 | 179.2° | 180.0° |
| CAI | CAE | CAF | CAA | 179.7° | 180.0° |
| CAI | CAE | CAF | H1 | 0.3° | 0.3° |
| CAI | CAE | CAD | H6 | 0.3° | 0.1° |
| CAE | CAI | CAM | H7 | 0.7° | 0.1° |
| SAJ | CAI | CAE | CAF | 16.5° | 179.5° |
| CAI | SAJ | C6 | N1 | 179.6° | 179.9° |
| SAJ | CAI | CAM | H7 | 179.9° | 179.9° |
| CAC | CAB | CAG | CAA | 179.3° | 180.0° |
| CAC | CAB | CAA | CAF | 1.8° | 0.0° |
| CAC | CAB | CAA | CLA | 178.0° | 180.0° |
| CAC | CAB | CAG | H2 | 90.4° | 90.0° |
| CAC | CAB | CAG | H3 | 149.6° | 30.0° |
| CAC | CAB | CAG | H4 | 29.6° | 150.0° |
| CAB | CAC | CAD | H6 | 178.7° | 180.0° |
| CAE | CAF | CAA | CAB | 1.2° | 0.3° |
| CAE | CAF | CAA | H1 | 180.0° | 179.7° |
| CAE | CAF | CAA | CLA | 178.6° | 179.7° |
| CAF | CAE | CAD | H6 | 179.4° | 179.7° |
| C6 | N1 | C2 | H8 | 179.9° | 180.0° |
| CAG | CAB | CAA | CAF | 178.8° | 180.0° |
| CAG | CAB | CAA | CLA | 1.3° | 0.0° |
| CAB | CAG | H2 | H3 | 120.0° | 120.0° |
| CAB | CAG | H2 | H4 | 120.0° | 120.0° |
| CAB | CAG | H3 | H4 | 120.0° | 120.0° |
| CAG | CAB | CAC | H5 | 1.2° | 0.0° |
| CAB | CAA | CAF | CLA | 179.8° | 180.0° |
| CAB | CAA | CAF | H1 | 178.8° | 179.9° |
| CAA | CAB | CAG | H2 | 90.4° | 90.1° |
| CAA | CAB | CAG | H3 | 29.7° | 150.0° |
| CAA | CAB | CAG | H4 | 149.7° | 30.0° |
| CAA | CAB | CAC | H5 | 178.1° | 180.0° |
| CAU | CAV | CAW | H18 | 180.0° | 179.7° |
| CAV | CAU | CAZ | CAY | 1.2° | 0.3° |
| CAU | CAV | CAW | CAX | 1.1° | 0.6° |
| CAV | CAU | CAT | H13 | 38.9° | 30.0° |
| CAV | CAU | CAT | H14 | 160.3° | 150.0° |
| CAV | CAU | CAZ | H15 | 178.8° | 179.7° |
| CAU | CAV | CAW | H17 | 178.9° | 179.7° |
| CAZ | CAU | CAV | CAW | 1.7° | 0.6° |
| CAU | CAZ | CAY | H15 | 180.0° | 180.0° |
| CAU | CAZ | CAY | CAX | 0.0° | 0.0° |
| CAU | CAZ | CAY | FBA | 179.1° | 179.9° |
| CAZ | CAU | CAT | H13 | 144.7° | 150.3° |
| CAZ | CAU | CAT | H14 | 23.3° | 30.3° |
| CAZ | CAU | CAV | H18 | 178.3° | 179.7° |
| CLA | CAA | CAF | H1 | 1.4° | 0.0° |
| CAV | CAW | CAX | H17 | 180.0° | 179.7° |
| CAV | CAW | CAX | CAY | 0.1° | 0.3° |
| CAV | CAW | CAX | H16 | 179.9° | 179.7° |
| CAZ | CAY | CAX | CAW | 0.6° | 0.0° |
| CAZ | CAY | CAX | FBA | 179.1° | 179.9° |
| CAZ | CAY | CAX | H16 | 179.4° | 179.9° |
| CAW | CAX | CAY | H16 | 180.0° | 180.0° |
| CAW | CAX | CAY | FBA | 179.7° | 179.9° |
| CAX | CAW | CAV | H18 | 178.9° | 179.7° |
| CAX | CAY | CAZ | H15 | 180.0° | 180.0° |
| CAY | CAX | CAW | H17 | 180.0° | 180.0° |
| FBA | CAY | CAZ | H15 | 0.9° | 0.1° |
| FBA | CAY | CAX | H16 | 0.3° | 0.0° |
| H2 | CAG | H3 | H4 | 120.0° | 120.0° |
| H5 | CAC | CAD | H6 | 1.3° | 0.1° |
| H9 | NAR | CAS | H10 | 140.7° | 165.1° |
| H10 | CAS | CAT | H13 | 62.8° | 180.0° |
| H10 | CAS | CAT | H14 | 175.8° | 60.0° |
| H16 | CAX | CAW | H17 | 0.0° | 0.1° |
| H17 | CAW | CAV | H18 | 1.1° | 0.0° |
