YL4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAZ | OBA | sing | 1.44Å | 1.45Å | |
| CAZ | CAY | sing | 1.55Å | 1.56Å | |
| OBA | CAV | sing | 1.36Å | 1.37Å | |
| CAV | CAW | sing | 1.39Å | 1.34Å | Aromatic |
| CAV | CAU | doub | 1.39Å | 1.38Å | Aromatic |
| CAY | CAU | sing | 1.52Å | 1.40Å | |
| CAW | CAX | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAT | sing | 1.38Å | 1.36Å | Aromatic |
| CAX | CAS | sing | 1.38Å | 1.41Å | Aromatic |
| CAT | CAS | doub | 1.38Å | 1.41Å | Aromatic |
| CAS | CAR | sing | 1.51Å | 1.41Å | |
| CAR | NAQ | sing | 1.46Å | 1.50Å | |
| CAR | PBB | sing | 1.82Å | 1.92Å | |
| NAQ | C4 | sing | 1.38Å | 1.35Å | |
| OBC | PBB | doub | 1.48Å | 1.71Å | |
| C4 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.37Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.39Å | Aromatic |
| OBE | PBB | sing | 1.61Å | 1.67Å | |
| CAL | C5 | sing | 1.45Å | 1.39Å | Aromatic |
| CAL | CAH | doub | 1.33Å | 1.36Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.36Å | Aromatic |
| PBB | OBD | sing | 1.61Å | 1.68Å | |
| C2 | N1 | doub | 1.31Å | 1.40Å | Aromatic |
| CAD | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAE | sing | 1.40Å | 1.40Å | Aromatic |
| CAH | CAE | sing | 1.48Å | 1.39Å | |
| CAH | SAI | sing | 1.75Å | 1.69Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.34Å | 1.36Å | Aromatic |
| C6 | SAI | sing | 1.76Å | 1.70Å | Aromatic |
| CAE | CAF | doub | 1.40Å | 1.43Å | Aromatic |
| CAB | CAA | sing | 1.51Å | 1.42Å | |
| CAB | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.41Å | Aromatic |
| CAT | H1 | sing | 1.08Å | 1.08Å | |
| CAY | H2 | sing | 1.09Å | 1.10Å | |
| CAY | H3 | sing | 1.09Å | 1.10Å | |
| CAZ | H4 | sing | 1.09Å | 1.10Å | |
| CAZ | H5 | sing | 1.09Å | 1.10Å | |
| CAW | H6 | sing | 1.08Å | 1.08Å | |
| CAX | H7 | sing | 1.08Å | 1.08Å | |
| CAR | H8 | sing | 1.09Å | 1.10Å | |
| OBD | H9 | sing | 0.97Å | 0.95Å | |
| OBE | H10 | sing | 0.97Å | 0.95Å | |
| NAQ | H11 | sing | 0.97Å | 1.00Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| CAL | H13 | sing | 1.08Å | 1.08Å | |
| CAD | H14 | sing | 1.08Å | 1.08Å | |
| CAC | H15 | sing | 1.08Å | 1.08Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å | |
| CAG | H19 | sing | 1.08Å | 1.08Å | |
| CAF | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OBA | CAZ | CAY | 103.9° | 102.8° |
| CAZ | OBA | CAV | 102.4° | 109.3° |
| OBA | CAZ | H4 | 110.8° | 110.8° |
| OBA | CAZ | H5 | 110.9° | 110.8° |
| CAZ | CAY | CAU | 101.7° | 101.9° |
| CAZ | CAY | H2 | 111.4° | 110.9° |
| CAZ | CAY | H3 | 111.4° | 111.0° |
| CAY | CAZ | H4 | 110.8° | 110.7° |
| CAY | CAZ | H5 | 110.8° | 110.7° |
| OBA | CAV | CAW | 125.9° | 129.9° |
| OBA | CAV | CAU | 114.4° | 111.3° |
| CAW | CAV | CAU | 119.7° | 118.9° |
| CAV | CAW | CAX | 120.8° | 120.2° |
| CAV | CAW | H6 | 119.6° | 119.9° |
| CAV | CAU | CAY | 107.8° | 107.1° |
| CAV | CAU | CAT | 122.2° | 120.8° |
| CAY | CAU | CAT | 130.1° | 132.2° |
| CAU | CAY | H2 | 111.4° | 111.0° |
| CAU | CAY | H3 | 111.4° | 111.0° |
| CAW | CAX | CAS | 120.0° | 120.3° |
| CAX | CAW | H6 | 119.6° | 119.9° |
| CAW | CAX | H7 | 120.0° | 119.9° |
| CAU | CAT | CAS | 119.3° | 120.0° |
| CAU | CAT | H1 | 120.3° | 120.0° |
| CAX | CAS | CAT | 118.1° | 119.8° |
| CAX | CAS | CAR | 119.8° | 120.1° |
| CAS | CAX | H7 | 120.0° | 119.8° |
| CAT | CAS | CAR | 122.1° | 120.1° |
| CAS | CAT | H1 | 120.3° | 120.0° |
| CAS | CAR | NAQ | 109.8° | 109.5° |
| CAS | CAR | PBB | 110.2° | 109.4° |
| CAS | CAR | H8 | 112.5° | 109.5° |
| NAQ | CAR | PBB | 106.9° | 109.5° |
| CAR | NAQ | C4 | 125.2° | 120.0° |
| NAQ | CAR | H8 | 111.0° | 109.5° |
| CAR | NAQ | H11 | 105.4° | 120.0° |
| CAR | PBB | OBC | 104.7° | 109.5° |
| CAR | PBB | OBE | 109.0° | 109.4° |
| CAR | PBB | OBD | 110.3° | 109.5° |
| PBB | CAR | H8 | 106.3° | 109.5° |
| NAQ | C4 | N3 | 119.4° | 120.5° |
| NAQ | C4 | C5 | 117.4° | 120.5° |
| C4 | NAQ | H11 | 105.4° | 120.0° |
| OBC | PBB | OBE | 117.0° | 109.5° |
| OBC | PBB | OBD | 106.8° | 109.5° |
| N3 | C4 | C5 | 123.2° | 119.0° |
| C4 | N3 | C2 | 120.0° | 121.2° |
| C4 | C5 | CAL | 130.9° | 130.4° |
| C4 | C5 | C6 | 116.5° | 117.5° |
| N3 | C2 | N1 | 117.0° | 122.2° |
| N3 | C2 | H12 | 121.5° | 118.9° |
| OBE | PBB | OBD | 109.0° | 109.5° |
| PBB | OBE | H10 | 109.5° | 114.0° |
| C5 | CAL | CAH | 117.2° | 114.6° |
| CAL | C5 | C6 | 112.6° | 112.1° |
| C5 | CAL | H13 | 121.4° | 122.7° |
| CAL | CAH | CAE | 128.9° | 124.4° |
| CAL | CAH | SAI | 105.5° | 111.2° |
| CAH | CAL | H13 | 121.4° | 122.7° |
| C5 | C6 | N1 | 122.4° | 119.1° |
| C5 | C6 | SAI | 107.7° | 109.7° |
| PBB | OBD | H9 | 109.5° | 114.0° |
| C2 | N1 | C6 | 121.0° | 121.1° |
| N1 | C2 | H12 | 121.5° | 118.9° |
| CAC | CAD | CAE | 122.0° | 119.8° |
| CAD | CAC | CAB | 122.2° | 120.1° |
| CAC | CAD | H14 | 119.0° | 120.1° |
| CAD | CAC | H15 | 118.9° | 119.9° |
| CAD | CAE | CAH | 119.3° | 120.1° |
| CAD | CAE | CAF | 115.3° | 119.7° |
| CAE | CAD | H14 | 119.1° | 120.1° |
| CAE | CAH | SAI | 125.6° | 124.4° |
| CAH | CAE | CAF | 125.4° | 120.1° |
| CAH | SAI | C6 | 96.9° | 92.3° |
| CAC | CAB | CAA | 118.4° | 119.8° |
| CAC | CAB | CAG | 117.9° | 120.3° |
| CAB | CAC | H15 | 118.9° | 119.9° |
| N1 | C6 | SAI | 129.9° | 131.1° |
| CAE | CAF | CAG | 122.9° | 119.9° |
| CAE | CAF | H20 | 118.6° | 120.1° |
| CAA | CAB | CAG | 123.7° | 119.8° |
| CAB | CAA | H16 | 109.5° | 109.5° |
| CAB | CAA | H17 | 109.5° | 109.5° |
| CAB | CAA | H18 | 109.5° | 109.5° |
| CAB | CAG | CAF | 119.8° | 120.1° |
| CAB | CAG | H19 | 120.1° | 119.9° |
| CAF | CAG | H19 | 120.1° | 120.0° |
| CAG | CAF | H20 | 118.6° | 120.1° |
| H2 | CAY | H3 | 109.5° | 110.8° |
| H4 | CAZ | H5 | 109.5° | 110.8° |
| H16 | CAA | H17 | 109.5° | 109.5° |
| H16 | CAA | H18 | 109.5° | 109.4° |
| H17 | CAA | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OBA | CAZ | CAY | H4 | 119.1° | 118.3° |
| OBA | CAZ | CAY | H5 | 119.1° | 118.4° |
| CAZ | OBA | CAV | CAW | 160.1° | 161.2° |
| CAZ | OBA | CAV | CAU | 18.7° | 18.8° |
| OBA | CAZ | CAY | CAU | 30.3° | 25.3° |
| OBA | CAZ | CAY | H2 | 149.0° | 143.5° |
| OBA | CAZ | CAY | H3 | 88.4° | 92.9° |
| OBA | CAZ | H4 | H5 | 122.6° | 123.4° |
| CAY | CAZ | OBA | CAV | 29.0° | 27.6° |
| CAZ | CAY | CAU | CAV | 19.3° | 15.5° |
| CAZ | CAY | CAU | H2 | 118.8° | 118.1° |
| CAZ | CAY | CAU | H3 | 118.7° | 118.2° |
| CAZ | CAY | CAU | CAT | 162.3° | 164.2° |
| CAZ | CAY | H2 | H3 | 123.6° | 123.7° |
| CAY | CAZ | H4 | H5 | 122.6° | 123.3° |
| OBA | CAV | CAW | CAU | 178.8° | 180.0° |
| OBA | CAV | CAU | CAY | 1.5° | 0.8° |
| OBA | CAV | CAW | CAX | 179.1° | 179.5° |
| OBA | CAV | CAU | CAT | 179.9° | 179.4° |
| CAV | OBA | CAZ | H4 | 90.1° | 90.7° |
| CAV | OBA | CAZ | H5 | 148.1° | 146.0° |
| OBA | CAV | CAW | H6 | 0.8° | 0.5° |
| CAW | CAV | CAU | CAY | 179.6° | 179.2° |
| CAV | CAW | CAX | H6 | 180.0° | 180.0° |
| CAW | CAV | CAU | CAT | 1.1° | 0.6° |
| CAV | CAW | CAX | CAS | 0.3° | 0.1° |
| CAV | CAW | CAX | H7 | 179.7° | 180.0° |
| CAV | CAU | CAY | CAT | 178.3° | 179.7° |
| CAU | CAV | CAW | CAX | 0.4° | 0.4° |
| CAV | CAU | CAT | CAS | 1.2° | 0.3° |
| CAV | CAU | CAT | H1 | 178.8° | 179.4° |
| CAV | CAU | CAY | H2 | 138.1° | 133.7° |
| CAV | CAU | CAY | H3 | 99.4° | 102.7° |
| CAU | CAV | CAW | H6 | 179.6° | 179.5° |
| CAY | CAU | CAT | CAS | 179.3° | 179.4° |
| CAY | CAU | CAT | H1 | 0.6° | 0.9° |
| CAU | CAY | H2 | H3 | 123.6° | 123.8° |
| CAU | CAY | CAZ | H4 | 88.8° | 93.0° |
| CAU | CAY | CAZ | H5 | 149.4° | 143.7° |
| CAW | CAX | CAS | H7 | 180.0° | 180.0° |
| CAW | CAX | CAS | CAT | 0.2° | 0.2° |
| CAW | CAX | CAS | CAR | 180.0° | 179.5° |
| CAU | CAT | CAS | CAX | 0.5° | 0.0° |
| CAU | CAT | CAS | H1 | 180.0° | 179.8° |
| CAU | CAT | CAS | CAR | 179.3° | 179.6° |
| CAT | CAU | CAY | H2 | 43.6° | 46.1° |
| CAT | CAU | CAY | H3 | 78.9° | 77.6° |
| CAX | CAS | CAT | CAR | 179.8° | 179.7° |
| CAX | CAS | CAR | NAQ | 46.5° | 34.7° |
| CAX | CAS | CAR | PBB | 71.0° | 85.3° |
| CAX | CAS | CAT | H1 | 179.4° | 179.8° |
| CAS | CAX | CAW | H6 | 179.7° | 179.9° |
| CAX | CAS | CAR | H8 | 170.6° | 154.7° |
| CAT | CAS | CAR | NAQ | 133.3° | 145.0° |
| CAT | CAS | CAR | PBB | 109.2° | 95.1° |
| CAT | CAS | CAX | H7 | 179.8° | 179.8° |
| CAT | CAS | CAR | H8 | 9.2° | 24.9° |
| CAS | CAR | NAQ | PBB | 119.5° | 120.0° |
| CAS | CAR | NAQ | H8 | 125.0° | 120.0° |
| CAS | CAR | PBB | H8 | 122.2° | 120.0° |
| CAS | CAR | NAQ | C4 | 116.2° | 135.0° |
| CAS | CAR | PBB | OBC | 77.5° | 55.0° |
| CAS | CAR | PBB | OBE | 48.4° | 65.0° |
| CAS | CAR | PBB | OBD | 168.0° | 175.0° |
| CAR | CAS | CAT | H1 | 0.7° | 0.1° |
| CAR | CAS | CAX | H7 | 0.0° | 0.6° |
| CAS | CAR | NAQ | H11 | 121.7° | 45.0° |
| NAQ | CAR | PBB | H8 | 118.6° | 120.0° |
| CAR | NAQ | C4 | H11 | 122.1° | 180.0° |
| NAQ | CAR | PBB | OBC | 41.8° | 65.0° |
| CAR | NAQ | C4 | N3 | 21.7° | 0.0° |
| CAR | NAQ | C4 | C5 | 158.7° | 179.7° |
| NAQ | CAR | PBB | OBE | 167.6° | 175.0° |
| NAQ | CAR | PBB | OBD | 72.8° | 55.0° |
| PBB | CAR | NAQ | C4 | 124.3° | 105.0° |
| CAR | PBB | OBC | OBE | 120.7° | 120.0° |
| CAR | PBB | OBC | OBD | 117.0° | 120.0° |
| CAR | PBB | OBE | OBD | 120.4° | 120.0° |
| CAR | PBB | OBD | H9 | 113.3° | 60.1° |
| CAR | PBB | OBE | H10 | 118.4° | 60.0° |
| PBB | CAR | NAQ | H11 | 2.2° | 75.0° |
| NAQ | C4 | N3 | C5 | 179.6° | 179.7° |
| NAQ | C4 | N3 | C2 | 179.8° | 180.0° |
| NAQ | C4 | C5 | CAL | 0.3° | 0.0° |
| NAQ | C4 | C5 | C6 | 179.8° | 179.8° |
| C4 | NAQ | CAR | H8 | 8.8° | 15.0° |
| OBC | PBB | OBE | OBD | 121.2° | 120.0° |
| OBC | PBB | CAR | H8 | 160.4° | 175.0° |
| OBC | PBB | OBD | H9 | 0.0° | 59.9° |
| OBC | PBB | OBE | H10 | 0.0° | 60.0° |
| N3 | C4 | C5 | CAL | 179.3° | 179.7° |
| N3 | C4 | C5 | C6 | 0.6° | 0.5° |
| C4 | N3 | C2 | N1 | 0.4° | 0.1° |
| N3 | C4 | NAQ | H11 | 143.8° | 180.0° |
| C4 | N3 | C2 | H12 | 179.7° | 180.0° |
| C5 | C4 | N3 | C2 | 0.5° | 0.3° |
| C4 | C5 | CAL | C6 | 179.9° | 179.8° |
| C4 | C5 | CAL | CAH | 179.6° | 179.2° |
| C4 | C5 | C6 | N1 | 0.4° | 0.5° |
| C4 | C5 | C6 | SAI | 180.0° | 179.7° |
| C5 | C4 | NAQ | H11 | 36.6° | 0.3° |
| C4 | C5 | CAL | H13 | 0.4° | 0.0° |
| N3 | C2 | N1 | H12 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.2° | 0.1° |
| OBE | PBB | CAR | H8 | 73.8° | 55.0° |
| OBE | PBB | OBD | H9 | 127.2° | 180.0° |
| C5 | CAL | CAH | H13 | 180.0° | 179.2° |
| C5 | CAL | CAH | CAE | 179.0° | 180.0° |
| C5 | CAL | CAH | SAI | 0.6° | 0.7° |
| CAL | C5 | C6 | N1 | 179.5° | 179.7° |
| CAL | C5 | C6 | SAI | 0.1° | 0.1° |
| CAH | CAL | C5 | C6 | 0.5° | 0.5° |
| CAL | CAH | CAE | CAD | 151.2° | 0.3° |
| CAL | CAH | CAE | SAI | 178.1° | 179.3° |
| CAL | CAH | SAI | C6 | 0.5° | 0.5° |
| CAL | CAH | CAE | CAF | 27.9° | 180.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.3° |
| C5 | C6 | SAI | CAH | 0.2° | 0.2° |
| C5 | C6 | N1 | SAI | 179.5° | 179.7° |
| C6 | C5 | CAL | H13 | 179.5° | 179.7° |
| OBD | PBB | CAR | H8 | 45.8° | 65.0° |
| OBD | PBB | OBE | H10 | 121.2° | 180.0° |
| C2 | N1 | C6 | SAI | 179.8° | 180.0° |
| CAC | CAD | CAE | H14 | 180.0° | 179.9° |
| CAC | CAD | CAE | CAH | 179.7° | 180.0° |
| CAD | CAC | CAB | H15 | 180.0° | 180.0° |
| CAC | CAD | CAE | CAF | 0.5° | 0.3° |
| CAD | CAC | CAB | CAA | 179.3° | 180.0° |
| CAD | CAC | CAB | CAG | 0.1° | 0.0° |
| CAD | CAE | CAH | CAF | 179.1° | 179.7° |
| CAD | CAE | CAH | SAI | 26.9° | 179.6° |
| CAE | CAD | CAC | CAB | 0.1° | 0.0° |
| CAD | CAE | CAF | CAG | 0.7° | 0.6° |
| CAE | CAD | CAC | H15 | 179.8° | 180.0° |
| CAD | CAE | CAF | H20 | 179.3° | 179.7° |
| CAE | CAH | SAI | C6 | 179.0° | 179.9° |
| CAH | CAE | CAF | CAG | 179.8° | 179.7° |
| CAE | CAH | CAL | H13 | 1.0° | 0.7° |
| CAH | CAE | CAD | H14 | 0.3° | 0.1° |
| CAH | CAE | CAF | H20 | 0.1° | 0.0° |
| CAH | SAI | C6 | N1 | 179.8° | 180.0° |
| SAI | CAH | CAE | CAF | 154.0° | 0.7° |
| SAI | CAH | CAL | H13 | 179.4° | 179.9° |
| CAC | CAB | CAA | CAG | 179.1° | 180.0° |
| CAC | CAB | CAG | CAF | 0.1° | 0.3° |
| CAB | CAC | CAD | H14 | 179.9° | 179.9° |
| CAC | CAB | CAA | H16 | 90.4° | 90.0° |
| CAC | CAB | CAA | H17 | 149.6° | 150.0° |
| CAC | CAB | CAA | H18 | 29.6° | 29.9° |
| CAC | CAB | CAG | H19 | 179.9° | 180.0° |
| C6 | N1 | C2 | H12 | 179.8° | 180.0° |
| CAE | CAF | CAG | CAB | 0.5° | 0.6° |
| CAE | CAF | CAG | H20 | 180.0° | 179.7° |
| CAF | CAE | CAD | H14 | 179.5° | 179.8° |
| CAE | CAF | CAG | H19 | 179.5° | 179.7° |
| CAA | CAB | CAG | CAF | 179.1° | 179.7° |
| CAA | CAB | CAC | H15 | 0.7° | 0.0° |
| CAB | CAA | H16 | H17 | 120.0° | 120.0° |
| CAB | CAA | H16 | H18 | 120.0° | 120.0° |
| CAB | CAA | H17 | H18 | 120.0° | 120.0° |
| CAA | CAB | CAG | H19 | 1.0° | 0.0° |
| CAB | CAG | CAF | H19 | 180.0° | 179.7° |
| CAG | CAB | CAC | H15 | 179.9° | 180.0° |
| CAG | CAB | CAA | H16 | 90.5° | 90.0° |
| CAG | CAB | CAA | H17 | 29.5° | 30.0° |
| CAG | CAB | CAA | H18 | 149.5° | 150.0° |
| CAB | CAG | CAF | H20 | 179.5° | 179.7° |
| H2 | CAY | CAZ | H4 | 29.9° | 25.1° |
| H2 | CAY | CAZ | H5 | 91.8° | 98.2° |
| H3 | CAY | CAZ | H4 | 152.5° | 148.8° |
| H3 | CAY | CAZ | H5 | 30.7° | 25.5° |
| H6 | CAW | CAX | H7 | 0.3° | 0.0° |
| H8 | CAR | NAQ | H11 | 113.3° | 165.0° |
| H14 | CAD | CAC | H15 | 0.2° | 0.1° |
| H16 | CAA | H17 | H18 | 120.0° | 120.0° |
| H19 | CAG | CAF | H20 | 0.6° | 0.0° |






