YL6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.31Å | 1.40Å | Aromatic |
| N1 | C6 | sing | 1.34Å | 1.36Å | Aromatic |
| SAN | C6 | sing | 1.76Å | 1.79Å | Aromatic |
| SAN | CAM | sing | 1.75Å | 1.72Å | Aromatic |
| OAD | PAA | doub | 1.48Å | 1.68Å | |
| C2 | N3 | sing | 1.32Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| CAT | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CAT | CAO | sing | 1.40Å | 1.42Å | Aromatic |
| CAM | CAO | sing | 1.48Å | 1.36Å | |
| CAM | CAL | doub | 1.33Å | 1.37Å | Aromatic |
| N3 | C4 | doub | 1.32Å | 1.37Å | Aromatic |
| CAS | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | CAL | sing | 1.45Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.37Å | Aromatic |
| CAO | CAP | doub | 1.40Å | 1.41Å | Aromatic |
| OAE | PAA | sing | 1.61Å | 1.51Å | |
| CAR | CAW | sing | 1.51Å | 1.40Å | |
| CAR | CAQ | doub | 1.38Å | 1.40Å | Aromatic |
| CAP | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | NAB | sing | 1.38Å | 1.37Å | |
| CAQ | CL | sing | 1.74Å | 1.73Å | |
| PAA | OAU | sing | 1.61Å | 1.50Å | |
| PAA | CAC | sing | 1.82Å | 1.80Å | |
| NAB | CAC | sing | 1.47Å | 1.50Å | |
| CAC | CAV | sing | 1.53Å | 1.57Å | |
| CAV | CAX | sing | 1.51Å | 1.39Å | |
| CBC | CAX | doub | 1.38Å | 1.42Å | Aromatic |
| CBC | CBB | sing | 1.38Å | 1.40Å | Aromatic |
| CAX | CAY | sing | 1.38Å | 1.40Å | Aromatic |
| CBB | CBA | doub | 1.38Å | 1.40Å | Aromatic |
| CAY | CAZ | doub | 1.38Å | 1.40Å | Aromatic |
| CBA | CAZ | sing | 1.38Å | 1.41Å | Aromatic |
| CAZ | FBD | sing | 1.35Å | 1.33Å | |
| CAP | H1 | sing | 1.08Å | 1.08Å | |
| CAW | H2 | sing | 1.09Å | 1.10Å | |
| CAW | H3 | sing | 1.09Å | 1.10Å | |
| CAW | H4 | sing | 1.09Å | 1.10Å | |
| CAS | H5 | sing | 1.08Å | 1.08Å | |
| CAT | H6 | sing | 1.08Å | 1.08Å | |
| CAL | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| NAB | H9 | sing | 0.97Å | 1.00Å | |
| CAC | H10 | sing | 1.09Å | 1.10Å | |
| OAU | H11 | sing | 0.97Å | 0.95Å | |
| OAE | H12 | sing | 0.97Å | 0.95Å | |
| CAV | H13 | sing | 1.09Å | 1.10Å | |
| CAV | H14 | sing | 1.09Å | 1.10Å | |
| CAY | H15 | sing | 1.08Å | 1.08Å | |
| CBA | H16 | sing | 1.08Å | 1.08Å | |
| CBB | H17 | sing | 1.08Å | 1.08Å | |
| CBC | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 121.3° | 121.1° |
| N1 | C2 | N3 | 116.3° | 122.2° |
| N1 | C2 | H8 | 121.8° | 119.0° |
| N1 | C6 | SAN | 129.4° | 131.1° |
| N1 | C6 | C5 | 121.9° | 119.1° |
| C6 | SAN | CAM | 92.7° | 92.2° |
| SAN | C6 | C5 | 108.7° | 109.8° |
| SAN | CAM | CAO | 123.0° | 124.4° |
| SAN | CAM | CAL | 108.9° | 111.2° |
| OAD | PAA | OAE | 109.2° | 109.5° |
| OAD | PAA | OAU | 115.6° | 109.4° |
| OAD | PAA | CAC | 94.6° | 109.5° |
| C2 | N3 | C4 | 121.4° | 121.2° |
| N3 | C2 | H8 | 121.8° | 118.8° |
| C6 | C5 | CAL | 113.0° | 112.1° |
| C6 | C5 | C4 | 117.3° | 117.5° |
| CAS | CAT | CAO | 120.5° | 119.9° |
| CAT | CAS | CAR | 120.8° | 120.1° |
| CAT | CAS | H5 | 119.6° | 119.9° |
| CAS | CAT | H6 | 119.8° | 120.0° |
| CAT | CAO | CAM | 121.3° | 120.2° |
| CAT | CAO | CAP | 118.1° | 119.7° |
| CAO | CAT | H6 | 119.7° | 120.1° |
| CAO | CAM | CAL | 128.0° | 124.4° |
| CAM | CAO | CAP | 120.7° | 120.1° |
| CAM | CAL | C5 | 116.8° | 114.6° |
| CAM | CAL | H7 | 121.6° | 122.6° |
| N3 | C4 | C5 | 121.8° | 118.9° |
| N3 | C4 | NAB | 119.3° | 120.6° |
| CAS | CAR | CAW | 121.5° | 119.8° |
| CAS | CAR | CAQ | 118.6° | 120.3° |
| CAR | CAS | H5 | 119.6° | 119.9° |
| CAL | C5 | C4 | 129.7° | 130.3° |
| C5 | CAL | H7 | 121.6° | 122.7° |
| C5 | C4 | NAB | 118.9° | 120.5° |
| CAO | CAP | CAQ | 120.9° | 119.8° |
| CAO | CAP | H1 | 119.6° | 120.0° |
| OAE | PAA | OAU | 117.9° | 109.5° |
| OAE | PAA | CAC | 110.1° | 109.5° |
| PAA | OAE | H12 | 109.5° | 114.0° |
| CAW | CAR | CAQ | 119.8° | 119.9° |
| CAR | CAW | H2 | 109.5° | 109.5° |
| CAR | CAW | H3 | 109.5° | 109.5° |
| CAR | CAW | H4 | 109.5° | 109.5° |
| CAR | CAQ | CAP | 121.1° | 120.2° |
| CAR | CAQ | CL | 122.4° | 119.9° |
| CAP | CAQ | CL | 116.5° | 119.9° |
| CAQ | CAP | H1 | 119.5° | 120.1° |
| C4 | NAB | CAC | 121.0° | 120.0° |
| C4 | NAB | H9 | 106.5° | 120.1° |
| OAU | PAA | CAC | 106.8° | 109.5° |
| PAA | OAU | H11 | 109.5° | 114.0° |
| PAA | CAC | NAB | 106.7° | 109.5° |
| PAA | CAC | CAV | 112.0° | 109.4° |
| PAA | CAC | H10 | 105.6° | 109.4° |
| NAB | CAC | CAV | 115.4° | 109.5° |
| CAC | NAB | H9 | 106.5° | 119.9° |
| NAB | CAC | H10 | 108.8° | 109.5° |
| CAC | CAV | CAX | 107.2° | 109.4° |
| CAV | CAC | H10 | 108.0° | 109.5° |
| CAC | CAV | H13 | 110.0° | 109.5° |
| CAC | CAV | H14 | 110.0° | 109.5° |
| CAV | CAX | CBC | 121.2° | 120.0° |
| CAV | CAX | CAY | 119.5° | 120.0° |
| CAX | CAV | H13 | 110.0° | 109.4° |
| CAX | CAV | H14 | 110.1° | 109.4° |
| CAX | CBC | CBB | 120.8° | 120.1° |
| CBC | CAX | CAY | 119.2° | 120.0° |
| CAX | CBC | H18 | 119.6° | 120.0° |
| CBC | CBB | CBA | 119.9° | 120.0° |
| CBC | CBB | H17 | 120.1° | 119.9° |
| CBB | CBC | H18 | 119.6° | 120.0° |
| CAX | CAY | CAZ | 119.5° | 120.0° |
| CAX | CAY | H15 | 120.3° | 120.0° |
| CBB | CBA | CAZ | 118.9° | 119.9° |
| CBB | CBA | H16 | 120.5° | 120.0° |
| CBA | CBB | H17 | 120.0° | 120.0° |
| CAY | CAZ | CBA | 121.5° | 120.0° |
| CAY | CAZ | FBD | 118.1° | 120.0° |
| CAZ | CAY | H15 | 120.2° | 120.1° |
| CBA | CAZ | FBD | 120.3° | 120.0° |
| CAZ | CBA | H16 | 120.6° | 120.0° |
| H2 | CAW | H3 | 109.4° | 109.5° |
| H2 | CAW | H4 | 109.4° | 109.4° |
| H3 | CAW | H4 | 109.5° | 109.4° |
| H13 | CAV | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | SAN | 178.9° | 180.0° |
| N1 | C2 | N3 | H8 | 180.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.4° | 0.2° |
| N1 | C2 | N3 | C4 | 0.9° | 0.5° |
| N1 | C6 | SAN | C5 | 178.6° | 179.7° |
| N1 | C6 | SAN | CAM | 179.8° | 179.9° |
| C6 | N1 | C2 | N3 | 0.4° | 0.0° |
| N1 | C6 | C5 | CAL | 179.4° | 179.9° |
| N1 | C6 | C5 | C4 | 0.6° | 0.0° |
| C6 | N1 | C2 | H8 | 179.6° | 180.0° |
| C6 | SAN | CAM | CAO | 179.5° | 180.0° |
| C6 | SAN | CAM | CAL | 2.0° | 0.2° |
| SAN | C6 | C5 | CAL | 0.6° | 0.1° |
| SAN | C6 | C5 | C4 | 179.4° | 179.8° |
| CAM | SAN | C6 | C5 | 1.5° | 0.2° |
| SAN | CAM | CAO | CAT | 20.9° | 0.3° |
| SAN | CAM | CAO | CAL | 176.9° | 179.8° |
| SAN | CAM | CAL | C5 | 2.1° | 0.2° |
| SAN | CAM | CAO | CAP | 158.2° | 179.8° |
| SAN | CAM | CAL | H7 | 177.9° | 179.7° |
| OAD | PAA | OAE | OAU | 134.6° | 119.9° |
| OAD | PAA | OAE | CAC | 102.6° | 120.0° |
| OAD | PAA | OAU | CAC | 103.7° | 120.0° |
| OAD | PAA | CAC | NAB | 88.3° | 65.1° |
| OAD | PAA | CAC | CAV | 144.6° | 54.9° |
| OAD | PAA | CAC | H10 | 27.3° | 174.9° |
| OAD | PAA | OAU | H11 | 0.0° | 60.0° |
| OAD | PAA | OAE | H12 | 0.0° | 54.7° |
| C2 | N3 | C4 | C5 | 0.8° | 0.7° |
| C2 | N3 | C4 | NAB | 179.8° | 179.6° |
| C6 | C5 | CAL | CAM | 1.0° | 0.1° |
| C6 | C5 | C4 | N3 | 0.0° | 0.4° |
| C6 | C5 | CAL | C4 | 180.0° | 179.9° |
| C6 | C5 | C4 | NAB | 179.4° | 179.9° |
| C6 | C5 | CAL | H7 | 179.0° | 179.8° |
| CAS | CAT | CAO | H6 | 180.0° | 179.8° |
| CAS | CAT | CAO | CAM | 178.5° | 180.0° |
| CAT | CAS | CAR | H5 | 180.0° | 179.9° |
| CAS | CAT | CAO | CAP | 0.6° | 0.6° |
| CAT | CAS | CAR | CAW | 179.7° | 180.0° |
| CAT | CAS | CAR | CAQ | 0.1° | 0.0° |
| CAT | CAO | CAM | CAP | 179.1° | 179.5° |
| CAT | CAO | CAM | CAL | 162.2° | 179.9° |
| CAO | CAT | CAS | CAR | 0.3° | 0.3° |
| CAT | CAO | CAP | CAQ | 0.6° | 0.6° |
| CAT | CAO | CAP | H1 | 179.4° | 179.8° |
| CAO | CAT | CAS | H5 | 179.7° | 179.8° |
| CAO | CAM | CAL | C5 | 179.4° | 180.0° |
| CAM | CAO | CAP | CAQ | 178.6° | 180.0° |
| CAM | CAO | CAP | H1 | 1.4° | 0.3° |
| CAM | CAO | CAT | H6 | 1.5° | 0.2° |
| CAO | CAM | CAL | H7 | 0.6° | 0.1° |
| CAM | CAL | C5 | H7 | 180.0° | 179.9° |
| CAM | CAL | C5 | C4 | 179.0° | 180.0° |
| CAL | CAM | CAO | CAP | 18.7° | 0.5° |
| N3 | C4 | C5 | CAL | 180.0° | 179.7° |
| N3 | C4 | C5 | NAB | 179.4° | 179.7° |
| N3 | C4 | NAB | CAC | 0.8° | 0.3° |
| C4 | N3 | C2 | H8 | 179.0° | 179.5° |
| N3 | C4 | NAB | H9 | 122.4° | 179.7° |
| CAS | CAR | CAW | CAQ | 179.8° | 179.9° |
| CAS | CAR | CAQ | CAP | 0.1° | 0.0° |
| CAS | CAR | CAQ | CL | 179.4° | 180.0° |
| CAS | CAR | CAW | H2 | 89.9° | 90.0° |
| CAS | CAR | CAW | H3 | 150.1° | 30.0° |
| CAS | CAR | CAW | H4 | 30.1° | 150.0° |
| CAR | CAS | CAT | H6 | 179.7° | 179.9° |
| CAL | C5 | C4 | NAB | 0.6° | 0.0° |
| C5 | C4 | NAB | CAC | 178.6° | 180.0° |
| C4 | C5 | CAL | H7 | 1.0° | 0.1° |
| C5 | C4 | NAB | H9 | 57.0° | 0.0° |
| CAO | CAP | CAQ | CAR | 0.2° | 0.3° |
| CAO | CAP | CAQ | H1 | 180.0° | 179.7° |
| CAO | CAP | CAQ | CL | 179.8° | 179.7° |
| CAP | CAO | CAT | H6 | 179.4° | 179.7° |
| OAE | PAA | OAU | CAC | 124.5° | 120.1° |
| OAE | PAA | CAC | NAB | 24.1° | 174.8° |
| OAE | PAA | CAC | CAV | 103.1° | 65.1° |
| OAE | PAA | CAC | H10 | 139.7° | 54.8° |
| OAE | PAA | OAU | H11 | 131.8° | 180.0° |
| CAW | CAR | CAQ | CAP | 179.6° | 180.0° |
| CAW | CAR | CAQ | CL | 0.8° | 0.0° |
| CAR | CAW | H2 | H3 | 120.0° | 120.1° |
| CAR | CAW | H2 | H4 | 120.0° | 120.0° |
| CAR | CAW | H3 | H4 | 120.0° | 120.0° |
| CAW | CAR | CAS | H5 | 0.3° | 0.1° |
| CAR | CAQ | CAP | CL | 179.6° | 180.0° |
| CAR | CAQ | CAP | H1 | 179.8° | 180.0° |
| CAQ | CAR | CAW | H2 | 89.9° | 90.0° |
| CAQ | CAR | CAW | H3 | 30.1° | 150.0° |
| CAQ | CAR | CAW | H4 | 150.1° | 30.0° |
| CAQ | CAR | CAS | H5 | 179.9° | 179.9° |
| C4 | NAB | CAC | PAA | 111.7° | 105.0° |
| C4 | NAB | CAC | H9 | 121.6° | 180.0° |
| C4 | NAB | CAC | CAV | 123.2° | 135.0° |
| C4 | NAB | CAC | H10 | 1.8° | 15.0° |
| CL | CAQ | CAP | H1 | 0.2° | 0.1° |
| OAU | PAA | CAC | NAB | 153.2° | 54.8° |
| OAU | PAA | CAC | CAV | 26.1° | 174.8° |
| OAU | PAA | CAC | H10 | 91.2° | 65.2° |
| OAU | PAA | OAE | H12 | 134.6° | 174.7° |
| PAA | CAC | NAB | CAV | 125.1° | 120.0° |
| PAA | CAC | NAB | H10 | 113.5° | 120.0° |
| PAA | CAC | CAV | H10 | 115.8° | 119.9° |
| PAA | CAC | CAV | CAX | 164.2° | 174.8° |
| PAA | CAC | NAB | H9 | 126.7° | 75.0° |
| CAC | PAA | OAU | H11 | 103.7° | 60.0° |
| CAC | PAA | OAE | H12 | 102.6° | 65.3° |
| PAA | CAC | CAV | H13 | 44.5° | 65.3° |
| PAA | CAC | CAV | H14 | 76.2° | 54.8° |
| NAB | CAC | CAV | H10 | 121.9° | 120.1° |
| NAB | CAC | CAV | CAX | 41.9° | 65.2° |
| NAB | CAC | CAV | H13 | 77.8° | 54.7° |
| NAB | CAC | CAV | H14 | 161.5° | 174.8° |
| CAC | CAV | CAX | H13 | 119.6° | 120.0° |
| CAC | CAV | CAX | H14 | 119.7° | 120.0° |
| CAC | CAV | CAX | CBC | 57.8° | 84.9° |
| CAC | CAV | CAX | CAY | 119.1° | 95.5° |
| CAV | CAC | NAB | H9 | 1.6° | 44.9° |
| CAC | CAV | H13 | H14 | 121.1° | 120.1° |
| CAV | CAX | CBC | CAY | 176.9° | 179.7° |
| CAV | CAX | CBC | CBB | 178.6° | 179.7° |
| CAV | CAX | CAY | CAZ | 178.8° | 180.0° |
| CAX | CAV | CAC | H10 | 80.0° | 54.8° |
| CAX | CAV | H13 | H14 | 121.1° | 120.0° |
| CAV | CAX | CAY | H15 | 1.2° | 0.1° |
| CAV | CAX | CBC | H18 | 1.4° | 0.0° |
| CAX | CBC | CBB | H18 | 180.0° | 179.7° |
| CAX | CBC | CBB | CBA | 0.1° | 0.5° |
| CBC | CAX | CAY | CAZ | 1.8° | 0.3° |
| CBC | CAX | CAV | H13 | 177.4° | 155.1° |
| CBC | CAX | CAV | H14 | 61.9° | 35.1° |
| CBC | CAX | CAY | H15 | 178.2° | 179.8° |
| CAX | CBC | CBB | H17 | 179.9° | 179.7° |
| CBB | CBC | CAX | CAY | 1.7° | 0.6° |
| CBC | CBB | CBA | H17 | 180.0° | 179.8° |
| CBC | CBB | CBA | CAZ | 1.3° | 0.3° |
| CBC | CBB | CBA | H16 | 178.6° | 179.8° |
| CAX | CAY | CAZ | H15 | 180.0° | 179.9° |
| CAX | CAY | CAZ | CBA | 0.4° | 0.1° |
| CAX | CAY | CAZ | FBD | 178.7° | 180.0° |
| CAY | CAX | CAV | H13 | 0.5° | 24.5° |
| CAY | CAX | CAV | H14 | 121.2° | 144.6° |
| CAY | CAX | CBC | H18 | 178.3° | 179.7° |
| CBB | CBA | CAZ | CAY | 1.2° | 0.0° |
| CBB | CBA | CAZ | H16 | 180.0° | 180.0° |
| CBB | CBA | CAZ | FBD | 179.7° | 180.0° |
| CBA | CBB | CBC | H18 | 179.9° | 179.7° |
| CAY | CAZ | CBA | FBD | 179.0° | 180.0° |
| CAY | CAZ | CBA | H16 | 178.8° | 180.0° |
| CBA | CAZ | CAY | H15 | 179.6° | 179.9° |
| CAZ | CBA | CBB | H17 | 178.6° | 180.0° |
| FBD | CAZ | CAY | H15 | 1.3° | 0.1° |
| FBD | CAZ | CBA | H16 | 0.3° | 0.0° |
| H2 | CAW | H3 | H4 | 120.0° | 119.9° |
| H5 | CAS | CAT | H6 | 0.3° | 0.0° |
| H9 | NAB | CAC | H10 | 119.8° | 165.0° |
| H10 | CAC | CAV | H13 | 160.3° | 174.8° |
| H10 | CAC | CAV | H14 | 39.6° | 65.1° |
| H16 | CBA | CBB | H17 | 1.4° | 0.0° |
| H17 | CBB | CBC | H18 | 0.1° | 0.0° |
