YTT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OB | CB | doub | 1.21Å | 1.23Å | |
| CB | CAB | sing | 1.50Å | 1.51Å | |
| CB | NA | sing | 1.34Å | 1.34Å | |
| CAB | CBB | sing | 1.53Å | 1.55Å | |
| CAB | NB | sing | 1.46Å | 1.46Å | |
| CBB | CGB | sing | 1.51Å | 1.52Å | |
| CGB | CD3 | doub | 1.38Å | 1.40Å | Aromatic |
| CGB | CD4 | sing | 1.38Å | 1.40Å | Aromatic |
| CD3 | CE3 | sing | 1.38Å | 1.41Å | Aromatic |
| CE3 | CZB | doub | 1.39Å | 1.42Å | Aromatic |
| CZB | OHB | sing | 1.36Å | 1.36Å | |
| CZB | CE4 | sing | 1.39Å | 1.40Å | Aromatic |
| CE4 | CD4 | doub | 1.38Å | 1.41Å | Aromatic |
| NB | CA | sing | 1.34Å | 1.34Å | |
| NA | CAA | sing | 1.46Å | 1.45Å | |
| CAA | CA | sing | 1.50Å | 1.50Å | |
| CAA | CBA | sing | 1.53Å | 1.55Å | |
| CA | OA | doub | 1.21Å | 1.23Å | |
| CBA | CGA | sing | 1.51Å | 1.52Å | |
| CGA | CD2 | doub | 1.38Å | 1.40Å | Aromatic |
| CGA | CD1 | sing | 1.38Å | 1.40Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZA | doub | 1.39Å | 1.40Å | Aromatic |
| CZA | OHA | sing | 1.36Å | 1.37Å | |
| CZA | CE1 | sing | 1.39Å | 1.40Å | Aromatic |
| CE1 | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CBB | HBB | sing | 1.09Å | 1.10Å | |
| CBB | HBBA | sing | 1.09Å | 1.10Å | |
| CD3 | HD3 | sing | 1.08Å | 1.08Å | |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| OHB | HOHB | sing | 0.97Å | 0.95Å | |
| CE4 | HE4 | sing | 1.08Å | 1.08Å | |
| CD4 | HD4 | sing | 1.08Å | 1.08Å | |
| NB | HNB | sing | 0.97Å | 1.00Å | |
| NA | HNA | sing | 0.97Å | 1.00Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CBA | HBA | sing | 1.09Å | 1.10Å | |
| CBA | HBAA | sing | 1.09Å | 1.10Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| OHA | HOHA | sing | 0.97Å | 0.95Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OB | CB | CAB | 120.3° | 118.6° |
| OB | CB | NA | 121.0° | 118.7° |
| CAB | CB | NA | 118.7° | 122.7° |
| CB | CAB | CBB | 112.2° | 109.1° |
| CB | CAB | NB | 113.1° | 111.3° |
| CB | CAB | HAB | 105.3° | 109.1° |
| CB | NA | CAA | 126.9° | 122.8° |
| CB | NA | HNA | 116.5° | 118.6° |
| CBB | CAB | NB | 110.5° | 109.1° |
| CAB | CBB | CGB | 106.5° | 109.5° |
| CBB | CAB | HAB | 108.1° | 109.1° |
| CAB | CBB | HBB | 110.5° | 109.5° |
| CAB | CBB | HBBA | 111.1° | 109.5° |
| CAB | NB | CA | 125.8° | 122.9° |
| NB | CAB | HAB | 107.1° | 109.1° |
| CAB | NB | HNB | 117.1° | 118.6° |
| CBB | CGB | CD3 | 120.2° | 119.9° |
| CBB | CGB | CD4 | 120.3° | 120.0° |
| CGB | CBB | HBB | 110.5° | 109.4° |
| CGB | CBB | HBBA | 111.1° | 109.5° |
| CD3 | CGB | CD4 | 119.5° | 120.1° |
| CGB | CD3 | CE3 | 121.1° | 120.1° |
| CGB | CD3 | HD3 | 119.4° | 120.0° |
| CGB | CD4 | CE4 | 120.4° | 120.1° |
| CGB | CD4 | HD4 | 119.8° | 119.9° |
| CD3 | CE3 | CZB | 118.7° | 119.9° |
| CE3 | CD3 | HD3 | 119.4° | 120.0° |
| CD3 | CE3 | HE3 | 120.7° | 120.0° |
| CE3 | CZB | OHB | 119.6° | 120.1° |
| CE3 | CZB | CE4 | 120.4° | 119.9° |
| CZB | CE3 | HE3 | 120.6° | 120.0° |
| OHB | CZB | CE4 | 120.0° | 120.1° |
| CZB | OHB | HOHB | 109.5° | 114.0° |
| CZB | CE4 | CD4 | 119.8° | 120.0° |
| CZB | CE4 | HE4 | 120.1° | 120.1° |
| CD4 | CE4 | HE4 | 120.1° | 120.0° |
| CE4 | CD4 | HD4 | 119.8° | 120.0° |
| NB | CA | CAA | 119.4° | 122.7° |
| NB | CA | OA | 122.9° | 118.7° |
| CA | NB | HNB | 117.2° | 118.5° |
| NA | CAA | CA | 113.0° | 111.4° |
| NA | CAA | CBA | 111.1° | 109.1° |
| CAA | NA | HNA | 116.6° | 118.6° |
| NA | CAA | HAA | 106.3° | 109.1° |
| CA | CAA | CBA | 110.8° | 109.1° |
| CAA | CA | OA | 117.7° | 118.6° |
| CA | CAA | HAA | 106.7° | 109.1° |
| CAA | CBA | CGA | 112.6° | 109.4° |
| CBA | CAA | HAA | 108.7° | 109.1° |
| CAA | CBA | HBA | 108.4° | 109.5° |
| CAA | CBA | HBAA | 107.7° | 109.4° |
| CBA | CGA | CD2 | 120.3° | 119.9° |
| CBA | CGA | CD1 | 120.8° | 119.9° |
| CGA | CBA | HBA | 108.5° | 109.5° |
| CGA | CBA | HBAA | 107.8° | 109.5° |
| CD2 | CGA | CD1 | 118.9° | 120.1° |
| CGA | CD2 | CE2 | 119.4° | 120.1° |
| CGA | CD2 | HD2 | 120.3° | 120.0° |
| CGA | CD1 | CE1 | 122.3° | 120.0° |
| CGA | CD1 | HD1 | 118.8° | 120.0° |
| CD2 | CE2 | CZA | 121.4° | 119.9° |
| CE2 | CD2 | HD2 | 120.3° | 120.0° |
| CD2 | CE2 | HE2 | 119.3° | 120.0° |
| CE2 | CZA | OHA | 120.6° | 120.1° |
| CE2 | CZA | CE1 | 119.6° | 119.9° |
| CZA | CE2 | HE2 | 119.3° | 120.1° |
| OHA | CZA | CE1 | 119.7° | 120.1° |
| CZA | OHA | HOHA | 109.5° | 114.0° |
| CZA | CE1 | CD1 | 118.4° | 120.0° |
| CZA | CE1 | HE1 | 120.8° | 120.0° |
| CD1 | CE1 | HE1 | 120.8° | 120.0° |
| CE1 | CD1 | HD1 | 118.9° | 120.0° |
| HBB | CBB | HBBA | 107.2° | 109.5° |
| HBA | CBA | HBAA | 111.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OB | CB | CAB | NA | 178.4° | 179.8° |
| OB | CB | CAB | CBB | 67.4° | 79.2° |
| OB | CB | CAB | NB | 166.7° | 160.3° |
| OB | CB | NA | CAA | 177.6° | 180.0° |
| OB | CB | CAB | HAB | 50.0° | 39.9° |
| OB | CB | NA | HNA | 2.5° | 0.1° |
| CB | CAB | CBB | NB | 127.3° | 121.8° |
| CB | CAB | CBB | HAB | 115.7° | 119.1° |
| CB | CAB | NB | HAB | 115.6° | 120.4° |
| CB | CAB | CBB | CGB | 166.1° | 175.0° |
| CB | CAB | NB | CA | 17.3° | 19.5° |
| CAB | CB | NA | CAA | 4.1° | 0.3° |
| CB | CAB | CBB | HBB | 73.9° | 65.0° |
| CB | CAB | CBB | HBBA | 44.9° | 55.0° |
| CB | CAB | NB | HNB | 162.8° | 160.5° |
| CAB | CB | NA | HNA | 175.9° | 179.7° |
| NA | CB | CAB | CBB | 114.2° | 101.0° |
| NA | CB | CAB | NB | 11.7° | 19.4° |
| CB | NA | CAA | HNA | 180.0° | 179.9° |
| CB | NA | CAA | CA | 15.0° | 19.4° |
| CB | NA | CAA | CBA | 110.2° | 101.1° |
| NA | CB | CAB | HAB | 128.4° | 139.9° |
| CB | NA | CAA | HAA | 131.7° | 139.9° |
| CBB | CAB | NB | HAB | 117.6° | 119.1° |
| CAB | CBB | CGB | HBB | 120.0° | 120.0° |
| CAB | CBB | CGB | HBBA | 121.2° | 120.0° |
| CAB | CBB | CGB | CD3 | 89.9° | 90.0° |
| CAB | CBB | CGB | CD4 | 88.8° | 90.3° |
| CBB | CAB | NB | CA | 109.5° | 101.0° |
| CAB | CBB | HBB | HBBA | 121.2° | 120.0° |
| CBB | CAB | NB | HNB | 70.5° | 79.0° |
| NB | CAB | CBB | CGB | 66.6° | 63.2° |
| CAB | NB | CA | HNB | 180.0° | 180.0° |
| CAB | NB | CA | CAA | 6.4° | 0.4° |
| CAB | NB | CA | OA | 173.8° | 179.9° |
| NB | CAB | CBB | HBB | 53.4° | 56.7° |
| NB | CAB | CBB | HBBA | 172.2° | 176.8° |
| CBB | CGB | CD3 | CD4 | 178.7° | 179.7° |
| CBB | CGB | CD3 | CE3 | 176.4° | 180.0° |
| CBB | CGB | CD4 | CE4 | 176.8° | 179.7° |
| CGB | CBB | CAB | HAB | 50.4° | 55.9° |
| CGB | CBB | HBB | HBBA | 121.2° | 120.0° |
| CBB | CGB | CD3 | HD3 | 3.6° | 0.1° |
| CBB | CGB | CD4 | HD4 | 3.2° | 0.0° |
| CGB | CD3 | CE3 | HD3 | 180.0° | 179.9° |
| CGB | CD3 | CE3 | CZB | 1.1° | 0.0° |
| CD3 | CGB | CD4 | CE4 | 1.9° | 0.6° |
| CD3 | CGB | CBB | HBB | 150.1° | 30.0° |
| CD3 | CGB | CBB | HBBA | 31.2° | 150.0° |
| CGB | CD3 | CE3 | HE3 | 178.9° | 179.9° |
| CD3 | CGB | CD4 | HD4 | 178.1° | 179.7° |
| CD4 | CGB | CD3 | CE3 | 2.3° | 0.3° |
| CGB | CD4 | CE4 | CZB | 0.3° | 0.5° |
| CGB | CD4 | CE4 | HD4 | 180.0° | 179.7° |
| CD4 | CGB | CBB | HBB | 31.2° | 149.8° |
| CD4 | CGB | CBB | HBBA | 150.1° | 29.7° |
| CD4 | CGB | CD3 | HD3 | 177.7° | 179.8° |
| CGB | CD4 | CE4 | HE4 | 179.8° | 179.7° |
| CD3 | CE3 | CZB | HE3 | 180.0° | 180.0° |
| CD3 | CE3 | CZB | OHB | 179.7° | 180.0° |
| CD3 | CE3 | CZB | CE4 | 0.6° | 0.0° |
| CE3 | CZB | OHB | CE4 | 179.7° | 180.0° |
| CE3 | CZB | CE4 | CD4 | 1.0° | 0.2° |
| CZB | CE3 | CD3 | HD3 | 178.9° | 179.9° |
| CE3 | CZB | OHB | HOHB | 100.1° | 89.9° |
| CE3 | CZB | CE4 | HE4 | 179.0° | 180.0° |
| OHB | CZB | CE4 | CD4 | 179.3° | 179.7° |
| OHB | CZB | CE3 | HE3 | 0.3° | 0.1° |
| OHB | CZB | CE4 | HE4 | 0.7° | 0.1° |
| CZB | CE4 | CD4 | HE4 | 180.0° | 179.8° |
| CE4 | CZB | CE3 | HE3 | 179.4° | 180.0° |
| CE4 | CZB | OHB | HOHB | 79.6° | 90.0° |
| CZB | CE4 | CD4 | HD4 | 179.8° | 179.8° |
| NB | CA | CAA | NA | 9.5° | 19.4° |
| NB | CA | CAA | OA | 179.7° | 179.7° |
| NB | CA | CAA | CBA | 115.9° | 101.1° |
| CA | NB | CAB | HAB | 132.8° | 139.9° |
| NB | CA | CAA | HAA | 125.9° | 139.8° |
| NA | CAA | CA | CBA | 125.4° | 120.5° |
| NA | CAA | CA | HAA | 116.4° | 120.5° |
| NA | CAA | CBA | HAA | 116.6° | 119.1° |
| NA | CAA | CA | OA | 170.3° | 160.3° |
| NA | CAA | CBA | CGA | 63.8° | 65.0° |
| NA | CAA | CBA | HBA | 176.2° | 55.0° |
| NA | CAA | CBA | HBAA | 54.9° | 175.0° |
| CA | CAA | CBA | HAA | 116.9° | 119.1° |
| CA | CAA | CBA | CGA | 62.6° | 173.2° |
| CAA | CA | NB | HNB | 173.6° | 179.6° |
| CA | CAA | NA | HNA | 164.9° | 160.6° |
| CA | CAA | CBA | HBA | 57.4° | 66.8° |
| CA | CAA | CBA | HBAA | 178.7° | 53.2° |
| CBA | CAA | CA | OA | 64.3° | 79.2° |
| CAA | CBA | CGA | HBA | 120.0° | 120.0° |
| CAA | CBA | CGA | HBAA | 118.7° | 120.0° |
| CAA | CBA | CGA | CD2 | 91.2° | 90.1° |
| CAA | CBA | CGA | CD1 | 88.6° | 90.3° |
| CBA | CAA | NA | HNA | 69.8° | 79.0° |
| CAA | CBA | HBA | HBAA | 118.7° | 120.0° |
| OA | CA | NB | HNB | 6.2° | 0.1° |
| OA | CA | CAA | HAA | 53.8° | 39.8° |
| CBA | CGA | CD2 | CD1 | 179.8° | 179.6° |
| CBA | CGA | CD2 | CE2 | 179.6° | 180.0° |
| CBA | CGA | CD1 | CE1 | 179.9° | 179.8° |
| CGA | CBA | CAA | HAA | 179.5° | 54.1° |
| CGA | CBA | HBA | HBAA | 118.8° | 120.0° |
| CBA | CGA | CD2 | HD2 | 0.4° | 0.1° |
| CBA | CGA | CD1 | HD1 | 0.1° | 0.0° |
| CGA | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CGA | CD2 | CE2 | CZA | 1.2° | 0.1° |
| CD2 | CGA | CD1 | CE1 | 0.0° | 0.6° |
| CD2 | CGA | CBA | HBA | 28.7° | 29.9° |
| CD2 | CGA | CBA | HBAA | 150.1° | 150.0° |
| CGA | CD2 | CE2 | HE2 | 178.8° | 179.9° |
| CD2 | CGA | CD1 | HD1 | 180.0° | 179.7° |
| CD1 | CGA | CD2 | CE2 | 0.3° | 0.4° |
| CGA | CD1 | CE1 | CZA | 0.6° | 0.6° |
| CGA | CD1 | CE1 | HD1 | 180.0° | 179.7° |
| CD1 | CGA | CBA | HBA | 151.4° | 149.7° |
| CD1 | CGA | CBA | HBAA | 30.1° | 29.6° |
| CD1 | CGA | CD2 | HD2 | 179.7° | 179.7° |
| CGA | CD1 | CE1 | HE1 | 179.4° | 179.7° |
| CD2 | CE2 | CZA | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZA | OHA | 179.3° | 180.0° |
| CD2 | CE2 | CZA | CE1 | 1.9° | 0.1° |
| CE2 | CZA | OHA | CE1 | 177.4° | 179.9° |
| CE2 | CZA | CE1 | CD1 | 1.5° | 0.3° |
| CZA | CE2 | CD2 | HD2 | 178.8° | 180.0° |
| CE2 | CZA | OHA | HOHA | 100.3° | 90.1° |
| CE2 | CZA | CE1 | HE1 | 178.5° | 180.0° |
| OHA | CZA | CE1 | CD1 | 179.0° | 179.7° |
| OHA | CZA | CE2 | HE2 | 0.7° | 0.0° |
| OHA | CZA | CE1 | HE1 | 1.0° | 0.0° |
| CZA | CE1 | CD1 | HE1 | 180.0° | 179.7° |
| CE1 | CZA | CE2 | HE2 | 178.1° | 180.0° |
| CE1 | CZA | OHA | HOHA | 82.3° | 90.0° |
| CZA | CE1 | CD1 | HD1 | 179.4° | 179.7° |
| HAB | CAB | CBB | HBB | 170.4° | 175.8° |
| HAB | CAB | CBB | HBBA | 70.8° | 64.1° |
| HAB | CAB | NB | HNB | 47.2° | 40.1° |
| HD3 | CD3 | CE3 | HE3 | 1.1° | 0.0° |
| HE4 | CE4 | CD4 | HD4 | 0.2° | 0.0° |
| HNA | NA | CAA | HAA | 48.3° | 40.1° |
| HAA | CAA | CBA | HBA | 59.5° | 174.1° |
| HAA | CAA | CBA | HBAA | 61.8° | 65.9° |
| HD2 | CD2 | CE2 | HE2 | 1.2° | 0.0° |
| HE1 | CE1 | CD1 | HD1 | 0.6° | 0.0° |
