R2H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | NB | sing | 1.46Å | 1.44Å | |
| CAB | CB | sing | 1.50Å | 1.50Å | |
| CAB | CBB | sing | 1.53Å | 1.52Å | |
| OB | CB | doub | 1.21Å | 1.21Å | |
| NB | CA | sing | 1.34Å | 1.30Å | |
| CB | NA | sing | 1.34Å | 1.32Å | |
| CA | OA | doub | 1.21Å | 1.19Å | |
| CA | CAA | sing | 1.50Å | 1.49Å | |
| NA | CAA | sing | 1.46Å | 1.45Å | |
| CBB | CGB | sing | 1.51Å | 1.51Å | |
| CAA | CBA | sing | 1.53Å | 1.53Å | |
| CGB | CD3 | doub | 1.38Å | 1.37Å | Aromatic |
| CGB | CD4 | sing | 1.38Å | 1.37Å | Aromatic |
| CBA | CGA | sing | 1.51Å | 1.52Å | |
| CD3 | CE3 | sing | 1.38Å | 1.37Å | Aromatic |
| CD4 | CE4 | doub | 1.38Å | 1.37Å | Aromatic |
| CGA | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CGA | CD2 | sing | 1.38Å | 1.38Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.38Å | Aromatic |
| CE1 | CZA | doub | 1.39Å | 1.37Å | Aromatic |
| CE2 | CZA | sing | 1.39Å | 1.37Å | Aromatic |
| CE2 | FY | sing | 1.35Å | 1.32Å | |
| CZA | OAX | sing | 1.36Å | 1.34Å | |
| CE3 | CZB | doub | 1.39Å | 1.38Å | Aromatic |
| CE4 | CZB | sing | 1.39Å | 1.37Å | Aromatic |
| CZB | OAY | sing | 1.36Å | 1.34Å | |
| NB | H1 | sing | 0.97Å | 1.00Å | |
| CD1 | H2 | sing | 1.08Å | 1.08Å | |
| CD2 | H3 | sing | 1.08Å | 1.08Å | |
| CD3 | H4 | sing | 1.08Å | 1.08Å | |
| CE1 | H5 | sing | 1.08Å | 1.08Å | |
| CE3 | H6 | sing | 1.08Å | 1.08Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CBA | H9 | sing | 1.09Å | 1.10Å | |
| CBA | H10 | sing | 1.09Å | 1.10Å | |
| CBB | H11 | sing | 1.09Å | 1.10Å | |
| CBB | H12 | sing | 1.09Å | 1.10Å | |
| CD4 | H13 | sing | 1.08Å | 1.08Å | |
| CE4 | H14 | sing | 1.08Å | 1.08Å | |
| NA | H15 | sing | 0.97Å | 1.00Å | |
| OAX | H16 | sing | 0.97Å | 0.95Å | |
| OAY | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NB | CAB | CB | 114.2° | 111.3° |
| NB | CAB | CBB | 109.2° | 109.1° |
| CAB | NB | CA | 126.3° | 122.9° |
| CAB | NB | H1 | 116.9° | 118.5° |
| NB | CAB | H8 | 108.3° | 109.2° |
| CB | CAB | CBB | 110.0° | 109.1° |
| CAB | CB | OB | 118.8° | 118.7° |
| CAB | CB | NA | 118.7° | 122.6° |
| CB | CAB | H8 | 107.6° | 109.1° |
| CAB | CBB | CGB | 113.0° | 109.4° |
| CBB | CAB | H8 | 107.3° | 109.1° |
| CAB | CBB | H11 | 108.6° | 109.5° |
| CAB | CBB | H12 | 108.6° | 109.5° |
| OB | CB | NA | 122.4° | 118.6° |
| NB | CA | OA | 120.8° | 118.7° |
| NB | CA | CAA | 118.9° | 122.7° |
| CA | NB | H1 | 116.9° | 118.6° |
| CB | NA | CAA | 125.0° | 122.9° |
| CB | NA | H15 | 117.5° | 118.6° |
| OA | CA | CAA | 120.3° | 118.6° |
| CA | CAA | NA | 113.0° | 111.3° |
| CA | CAA | CBA | 113.0° | 109.1° |
| CA | CAA | H7 | 106.8° | 109.2° |
| NA | CAA | CBA | 109.9° | 109.1° |
| NA | CAA | H7 | 107.3° | 109.1° |
| CAA | NA | H15 | 117.5° | 118.6° |
| CBB | CGB | CD3 | 121.9° | 119.9° |
| CBB | CGB | CD4 | 119.6° | 120.0° |
| CGB | CBB | H11 | 108.6° | 109.5° |
| CGB | CBB | H12 | 108.5° | 109.4° |
| CAA | CBA | CGA | 107.7° | 109.5° |
| CBA | CAA | H7 | 106.4° | 109.1° |
| CAA | CBA | H9 | 109.9° | 109.5° |
| CAA | CBA | H10 | 109.9° | 109.5° |
| CD3 | CGB | CD4 | 118.4° | 120.1° |
| CGB | CD3 | CE3 | 121.3° | 120.1° |
| CGB | CD3 | H4 | 119.4° | 119.9° |
| CGB | CD4 | CE4 | 120.3° | 120.1° |
| CGB | CD4 | H13 | 119.9° | 120.0° |
| CBA | CGA | CD1 | 121.9° | 120.0° |
| CBA | CGA | CD2 | 119.9° | 120.0° |
| CGA | CBA | H9 | 109.9° | 109.5° |
| CGA | CBA | H10 | 109.9° | 109.5° |
| CD3 | CE3 | CZB | 120.6° | 119.9° |
| CE3 | CD3 | H4 | 119.4° | 120.0° |
| CD3 | CE3 | H6 | 119.7° | 120.0° |
| CD4 | CE4 | CZB | 121.7° | 119.9° |
| CE4 | CD4 | H13 | 119.8° | 119.9° |
| CD4 | CE4 | H14 | 119.1° | 120.1° |
| CD1 | CGA | CD2 | 118.2° | 120.0° |
| CGA | CD1 | CE1 | 121.7° | 120.1° |
| CGA | CD1 | H2 | 119.1° | 119.9° |
| CGA | CD2 | CE2 | 119.5° | 120.1° |
| CGA | CD2 | H3 | 120.3° | 119.9° |
| CD1 | CE1 | CZA | 119.1° | 120.0° |
| CE1 | CD1 | H2 | 119.1° | 119.9° |
| CD1 | CE1 | H5 | 120.5° | 120.0° |
| CD2 | CE2 | CZA | 122.4° | 119.9° |
| CD2 | CE2 | FY | 119.9° | 120.1° |
| CE2 | CD2 | H3 | 120.2° | 120.0° |
| CE1 | CZA | CE2 | 119.1° | 119.8° |
| CE1 | CZA | OAX | 121.8° | 120.1° |
| CZA | CE1 | H5 | 120.5° | 120.0° |
| CZA | CE2 | FY | 117.7° | 120.0° |
| CE2 | CZA | OAX | 119.0° | 120.1° |
| CZA | OAX | H16 | 109.5° | 114.0° |
| CE3 | CZB | CE4 | 117.6° | 119.9° |
| CE3 | CZB | OAY | 121.5° | 120.0° |
| CZB | CE3 | H6 | 119.7° | 120.0° |
| CE4 | CZB | OAY | 120.9° | 120.1° |
| CZB | CE4 | H14 | 119.2° | 120.0° |
| CZB | OAY | H17 | 109.5° | 114.0° |
| H9 | CBA | H10 | 109.5° | 109.5° |
| H11 | CBB | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NB | CAB | CB | CBB | 123.1° | 120.4° |
| NB | CAB | CB | H8 | 120.2° | 120.5° |
| NB | CAB | CBB | H8 | 117.2° | 119.2° |
| NB | CAB | CB | OB | 176.8° | 160.3° |
| CAB | NB | CA | H1 | 180.0° | 180.0° |
| NB | CAB | CB | NA | 1.7° | 19.9° |
| CAB | NB | CA | OA | 170.6° | 179.9° |
| CAB | NB | CA | CAA | 9.7° | 0.2° |
| NB | CAB | CBB | CGB | 63.1° | 65.1° |
| NB | CAB | CBB | H11 | 176.3° | 54.9° |
| NB | CAB | CBB | H12 | 57.4° | 175.0° |
| CB | CAB | CBB | H8 | 116.8° | 119.1° |
| CAB | CB | OB | NA | 178.5° | 179.8° |
| CB | CAB | NB | CA | 2.4° | 19.4° |
| CAB | CB | NA | CAA | 11.9° | 0.2° |
| CB | CAB | CBB | CGB | 62.9° | 173.2° |
| CB | CAB | NB | H1 | 177.6° | 160.5° |
| CB | CAB | CBB | H11 | 57.6° | 66.8° |
| CB | CAB | CBB | H12 | 176.6° | 53.2° |
| CAB | CB | NA | H15 | 168.1° | 179.9° |
| CBB | CAB | CB | OB | 60.1° | 79.3° |
| CBB | CAB | NB | CA | 121.2° | 101.0° |
| CBB | CAB | CB | NA | 121.4° | 100.5° |
| CAB | CBB | CGB | H11 | 120.5° | 120.0° |
| CAB | CBB | CGB | H12 | 120.5° | 120.0° |
| CAB | CBB | CGB | CD3 | 84.4° | 90.0° |
| CAB | CBB | CGB | CD4 | 94.1° | 90.0° |
| CBB | CAB | NB | H1 | 58.8° | 79.1° |
| CAB | CBB | H11 | H12 | 118.4° | 120.0° |
| OB | CB | NA | CAA | 169.6° | 180.0° |
| OB | CB | CAB | H8 | 56.6° | 39.8° |
| OB | CB | NA | H15 | 10.4° | 0.3° |
| NB | CA | OA | CAA | 179.7° | 179.8° |
| NB | CA | CAA | NA | 20.9° | 19.9° |
| NB | CA | CAA | CBA | 104.7° | 100.5° |
| NB | CA | CAA | H7 | 138.7° | 140.3° |
| CA | NB | CAB | H8 | 122.2° | 139.9° |
| CB | NA | CAA | CA | 22.9° | 19.4° |
| CB | NA | CAA | H15 | 180.0° | 179.7° |
| CB | NA | CAA | CBA | 104.4° | 101.0° |
| CB | NA | CAA | H7 | 140.3° | 139.9° |
| NA | CB | CAB | H8 | 122.0° | 140.4° |
| OA | CA | CAA | NA | 159.4° | 160.3° |
| OA | CA | CAA | CBA | 75.0° | 79.2° |
| OA | CA | NB | H1 | 9.4° | 0.1° |
| OA | CA | CAA | H7 | 41.6° | 39.9° |
| CA | CAA | NA | CBA | 127.3° | 120.4° |
| CA | CAA | NA | H7 | 117.4° | 120.5° |
| CA | CAA | CBA | H7 | 116.8° | 119.2° |
| CA | CAA | CBA | CGA | 164.0° | 175.0° |
| CAA | CA | NB | H1 | 170.3° | 179.9° |
| CA | CAA | CBA | H9 | 76.3° | 65.0° |
| CA | CAA | CBA | H10 | 44.3° | 55.0° |
| CA | CAA | NA | H15 | 157.1° | 160.3° |
| NA | CAA | CBA | H7 | 115.9° | 119.1° |
| NA | CAA | CBA | CGA | 68.8° | 63.2° |
| NA | CAA | CBA | H9 | 50.9° | 56.7° |
| NA | CAA | CBA | H10 | 171.5° | 176.8° |
| CBB | CGB | CD3 | CD4 | 178.5° | 180.0° |
| CBB | CGB | CD3 | CE3 | 179.4° | 179.9° |
| CBB | CGB | CD4 | CE4 | 179.7° | 179.5° |
| CBB | CGB | CD3 | H4 | 0.6° | 0.3° |
| CGB | CBB | CAB | H8 | 179.7° | 54.1° |
| CGB | CBB | H11 | H12 | 118.3° | 120.0° |
| CBB | CGB | CD4 | H13 | 0.3° | 0.2° |
| CAA | CBA | CGA | H9 | 119.7° | 120.0° |
| CAA | CBA | CGA | H10 | 119.7° | 120.0° |
| CAA | CBA | CGA | CD1 | 87.2° | 90.0° |
| CAA | CBA | CGA | CD2 | 92.8° | 90.0° |
| CAA | CBA | H9 | H10 | 120.9° | 120.0° |
| CBA | CAA | NA | H15 | 75.6° | 79.3° |
| CGB | CD3 | CE3 | H4 | 180.0° | 179.7° |
| CD3 | CGB | CD4 | CE4 | 1.7° | 0.5° |
| CGB | CD3 | CE3 | CZB | 2.0° | 0.3° |
| CGB | CD3 | CE3 | H6 | 178.0° | 179.8° |
| CD3 | CGB | CBB | H11 | 155.0° | 30.0° |
| CD3 | CGB | CBB | H12 | 36.1° | 150.0° |
| CD3 | CGB | CD4 | H13 | 178.2° | 179.7° |
| CD4 | CGB | CD3 | CE3 | 2.0° | 0.1° |
| CGB | CD4 | CE4 | H13 | 180.0° | 179.3° |
| CGB | CD4 | CE4 | CZB | 1.5° | 0.7° |
| CD4 | CGB | CD3 | H4 | 178.0° | 179.7° |
| CD4 | CGB | CBB | H11 | 26.5° | 150.0° |
| CD4 | CGB | CBB | H12 | 145.4° | 30.0° |
| CGB | CD4 | CE4 | H14 | 178.5° | 179.3° |
| CBA | CGA | CD1 | CD2 | 180.0° | 179.9° |
| CBA | CGA | CD1 | CE1 | 178.3° | 180.0° |
| CBA | CGA | CD2 | CE2 | 178.1° | 179.4° |
| CBA | CGA | CD1 | H2 | 1.7° | 0.3° |
| CBA | CGA | CD2 | H3 | 2.0° | 0.3° |
| CGA | CBA | CAA | H7 | 47.1° | 55.8° |
| CGA | CBA | H9 | H10 | 120.8° | 120.0° |
| CD3 | CE3 | CZB | H6 | 180.0° | 179.9° |
| CD3 | CE3 | CZB | CE4 | 1.7° | 0.0° |
| CD3 | CE3 | CZB | OAY | 179.2° | 179.9° |
| CD4 | CE4 | CZB | CE3 | 1.4° | 0.5° |
| CD4 | CE4 | CZB | H14 | 180.0° | 180.0° |
| CD4 | CE4 | CZB | OAY | 179.5° | 179.5° |
| CGA | CD1 | CE1 | H2 | 180.0° | 179.7° |
| CD1 | CGA | CD2 | CE2 | 1.9° | 0.5° |
| CGA | CD1 | CE1 | CZA | 0.6° | 0.3° |
| CD1 | CGA | CD2 | H3 | 178.1° | 179.7° |
| CGA | CD1 | CE1 | H5 | 179.4° | 179.7° |
| CD1 | CGA | CBA | H9 | 32.5° | 30.0° |
| CD1 | CGA | CBA | H10 | 153.1° | 150.0° |
| CD2 | CGA | CD1 | CE1 | 1.7° | 0.0° |
| CGA | CD2 | CE2 | H3 | 180.0° | 179.1° |
| CGA | CD2 | CE2 | CZA | 1.2° | 0.8° |
| CGA | CD2 | CE2 | FY | 179.0° | 179.2° |
| CD2 | CGA | CD1 | H2 | 178.3° | 179.7° |
| CD2 | CGA | CBA | H9 | 147.5° | 150.0° |
| CD2 | CGA | CBA | H10 | 27.0° | 30.0° |
| CD1 | CE1 | CZA | H5 | 180.0° | 180.0° |
| CD1 | CE1 | CZA | CE2 | 0.2° | 0.0° |
| CD1 | CE1 | CZA | OAX | 178.8° | 180.0° |
| CD2 | CE2 | CZA | CE1 | 0.1° | 0.5° |
| CD2 | CE2 | CZA | FY | 177.9° | 180.0° |
| CD2 | CE2 | CZA | OAX | 179.1° | 179.5° |
| CE1 | CZA | CE2 | OAX | 179.0° | 180.0° |
| CE1 | CZA | CE2 | FY | 178.0° | 179.5° |
| CZA | CE1 | CD1 | H2 | 179.3° | 180.0° |
| CE1 | CZA | OAX | H16 | 180.0° | 90.0° |
| CZA | CE2 | CD2 | H3 | 178.8° | 179.9° |
| CE2 | CZA | CE1 | H5 | 179.8° | 180.0° |
| CE2 | CZA | OAX | H16 | 1.0° | 90.0° |
| FY | CE2 | CZA | OAX | 3.0° | 0.5° |
| FY | CE2 | CD2 | H3 | 1.0° | 0.1° |
| OAX | CZA | CE1 | H5 | 1.2° | 0.0° |
| CE3 | CZB | CE4 | OAY | 179.1° | 180.0° |
| CZB | CE3 | CD3 | H4 | 178.0° | 180.0° |
| CE3 | CZB | CE4 | H14 | 178.6° | 179.5° |
| CE3 | CZB | OAY | H17 | 180.0° | 90.0° |
| CE4 | CZB | CE3 | H6 | 178.3° | 179.9° |
| CZB | CE4 | CD4 | H13 | 178.5° | 180.0° |
| CE4 | CZB | OAY | H17 | 0.9° | 90.0° |
| OAY | CZB | CE3 | H6 | 0.8° | 0.0° |
| OAY | CZB | CE4 | H14 | 0.6° | 0.5° |
| H1 | NB | CAB | H8 | 57.8° | 40.0° |
| H2 | CD1 | CE1 | H5 | 0.7° | 0.0° |
| H4 | CD3 | CE3 | H6 | 2.0° | 0.1° |
| H7 | CAA | CBA | H9 | 166.9° | 175.8° |
| H7 | CAA | CBA | H10 | 72.6° | 64.2° |
| H7 | CAA | NA | H15 | 39.7° | 39.8° |
| H8 | CAB | CBB | H11 | 59.1° | 174.1° |
| H8 | CAB | CBB | H12 | 59.8° | 65.8° |
| H13 | CD4 | CE4 | H14 | 1.5° | 0.0° |
