1G9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OHB | CZB | sing | 1.36Å | 1.37Å | |
| CZB | CE3 | doub | 1.39Å | 1.44Å | Aromatic |
| CZB | CE4 | sing | 1.39Å | 1.45Å | Aromatic |
| CE3 | CD3 | sing | 1.38Å | 1.45Å | Aromatic |
| CE4 | CD4 | doub | 1.38Å | 1.46Å | Aromatic |
| CD3 | CGB | doub | 1.38Å | 1.44Å | Aromatic |
| CD4 | CGB | sing | 1.38Å | 1.48Å | Aromatic |
| CGB | CBB | sing | 1.51Å | 1.57Å | |
| CBB | CAB | sing | 1.53Å | 1.36Å | |
| CBA | CAA | sing | 1.53Å | 1.52Å | |
| CAB | NB | sing | 1.46Å | 1.44Å | |
| CAB | CB | sing | 1.50Å | 1.56Å | |
| NB | CA | sing | 1.34Å | 1.33Å | |
| CB | OB | doub | 1.21Å | 1.18Å | |
| CB | NA | sing | 1.34Å | 1.40Å | |
| CA | CAA | sing | 1.50Å | 1.57Å | |
| CA | OA | doub | 1.21Å | 1.24Å | |
| CAA | NA | sing | 1.46Å | 1.47Å | |
| NA | H1 | sing | 0.97Å | 1.00Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CBA | H3 | sing | 1.09Å | 1.10Å | |
| CBA | H4 | sing | 1.09Å | 1.10Å | |
| CBA | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| NB | H7 | sing | 0.97Å | 1.00Å | |
| CBB | H8 | sing | 1.09Å | 1.10Å | |
| CBB | H9 | sing | 1.09Å | 1.10Å | |
| CD4 | H10 | sing | 1.08Å | 1.08Å | |
| CE4 | H11 | sing | 1.08Å | 1.08Å | |
| OHB | H12 | sing | 0.97Å | 0.95Å | |
| CE3 | H13 | sing | 1.08Å | 1.08Å | |
| CD3 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OHB | CZB | CE3 | 119.1° | 120.1° |
| OHB | CZB | CE4 | 121.6° | 120.1° |
| CZB | OHB | H12 | 109.5° | 114.0° |
| CE3 | CZB | CE4 | 119.3° | 119.9° |
| CZB | CE3 | CD3 | 120.6° | 119.9° |
| CZB | CE3 | H13 | 119.7° | 120.0° |
| CZB | CE4 | CD4 | 119.1° | 120.0° |
| CZB | CE4 | H11 | 120.5° | 120.0° |
| CE3 | CD3 | CGB | 122.9° | 120.1° |
| CD3 | CE3 | H13 | 119.7° | 120.1° |
| CE3 | CD3 | H14 | 118.6° | 119.9° |
| CE4 | CD4 | CGB | 122.8° | 120.0° |
| CE4 | CD4 | H10 | 118.6° | 120.0° |
| CD4 | CE4 | H11 | 120.4° | 120.0° |
| CD3 | CGB | CD4 | 115.3° | 120.1° |
| CD3 | CGB | CBB | 119.8° | 119.9° |
| CGB | CD3 | H14 | 118.5° | 120.0° |
| CD4 | CGB | CBB | 124.9° | 119.9° |
| CGB | CD4 | H10 | 118.6° | 120.0° |
| CGB | CBB | CAB | 113.2° | 109.5° |
| CGB | CBB | H8 | 108.5° | 109.5° |
| CGB | CBB | H9 | 108.5° | 109.5° |
| CBB | CAB | NB | 114.6° | 109.1° |
| CBB | CAB | CB | 112.9° | 109.1° |
| CBB | CAB | H6 | 108.4° | 109.0° |
| CAB | CBB | H8 | 108.5° | 109.5° |
| CAB | CBB | H9 | 108.5° | 109.5° |
| CBA | CAA | CA | 113.4° | 109.1° |
| CBA | CAA | NA | 107.1° | 109.1° |
| CBA | CAA | H2 | 108.7° | 109.1° |
| CAA | CBA | H3 | 109.5° | 109.4° |
| CAA | CBA | H4 | 109.5° | 109.5° |
| CAA | CBA | H5 | 109.5° | 109.5° |
| NB | CAB | CB | 107.2° | 111.3° |
| CAB | NB | CA | 130.3° | 122.8° |
| NB | CAB | H6 | 107.3° | 109.1° |
| CAB | NB | H7 | 114.8° | 118.5° |
| CAB | CB | OB | 117.5° | 118.7° |
| CAB | CB | NA | 123.1° | 122.7° |
| CB | CAB | H6 | 106.0° | 109.1° |
| NB | CA | CAA | 120.4° | 122.7° |
| NB | CA | OA | 113.2° | 118.7° |
| CA | NB | H7 | 114.8° | 118.7° |
| OB | CB | NA | 119.4° | 118.6° |
| CB | NA | CAA | 123.7° | 122.8° |
| CB | NA | H1 | 118.1° | 118.6° |
| CAA | CA | OA | 126.4° | 118.7° |
| CA | CAA | NA | 110.1° | 111.3° |
| CA | CAA | H2 | 108.1° | 109.1° |
| CAA | NA | H1 | 118.2° | 118.6° |
| NA | CAA | H2 | 109.4° | 109.1° |
| H3 | CBA | H4 | 109.4° | 109.5° |
| H3 | CBA | H5 | 109.5° | 109.5° |
| H4 | CBA | H5 | 109.5° | 109.5° |
| H8 | CBB | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OHB | CZB | CE3 | CE4 | 179.7° | 179.8° |
| OHB | CZB | CE3 | CD3 | 178.7° | 180.0° |
| OHB | CZB | CE4 | CD4 | 180.0° | 179.8° |
| OHB | CZB | CE4 | H11 | 0.0° | 0.2° |
| OHB | CZB | CE3 | H13 | 1.3° | 0.2° |
| CZB | CE3 | CD3 | H13 | 180.0° | 179.8° |
| CE3 | CZB | CE4 | CD4 | 0.2° | 0.0° |
| CZB | CE3 | CD3 | CGB | 3.0° | 0.5° |
| CE3 | CZB | CE4 | H11 | 179.7° | 180.0° |
| CE3 | CZB | OHB | H12 | 180.0° | 89.9° |
| CZB | CE3 | CD3 | H14 | 177.0° | 180.0° |
| CE4 | CZB | CE3 | CD3 | 1.0° | 0.3° |
| CZB | CE4 | CD4 | H11 | 180.0° | 180.0° |
| CZB | CE4 | CD4 | CGB | 0.4° | 0.0° |
| CZB | CE4 | CD4 | H10 | 179.6° | 180.0° |
| CE4 | CZB | OHB | H12 | 0.3° | 89.8° |
| CE4 | CZB | CE3 | H13 | 179.0° | 180.0° |
| CE3 | CD3 | CGB | H14 | 180.0° | 179.4° |
| CE3 | CD3 | CGB | CD4 | 3.4° | 0.5° |
| CE3 | CD3 | CGB | CBB | 176.1° | 179.7° |
| CE4 | CD4 | CGB | CD3 | 2.1° | 0.3° |
| CE4 | CD4 | CGB | H10 | 180.0° | 180.0° |
| CE4 | CD4 | CGB | CBB | 177.3° | 180.0° |
| CD3 | CGB | CD4 | CBB | 179.4° | 179.8° |
| CD3 | CGB | CBB | CAB | 108.2° | 90.3° |
| CD3 | CGB | CBB | H8 | 12.4° | 149.7° |
| CD3 | CGB | CBB | H9 | 131.2° | 29.7° |
| CD3 | CGB | CD4 | H10 | 177.9° | 179.7° |
| CGB | CD3 | CE3 | H13 | 177.1° | 179.7° |
| CD4 | CGB | CBB | CAB | 71.2° | 90.0° |
| CD4 | CGB | CBB | H8 | 168.2° | 30.0° |
| CD4 | CGB | CBB | H9 | 49.4° | 150.0° |
| CGB | CD4 | CE4 | H11 | 179.6° | 180.0° |
| CD4 | CGB | CD3 | H14 | 176.6° | 180.0° |
| CGB | CBB | CAB | H8 | 120.6° | 120.0° |
| CGB | CBB | CAB | H9 | 120.6° | 120.0° |
| CGB | CBB | CAB | NB | 62.9° | 65.0° |
| CGB | CBB | CAB | CB | 174.1° | 173.2° |
| CGB | CBB | CAB | H6 | 56.9° | 54.1° |
| CGB | CBB | H8 | H9 | 118.3° | 120.0° |
| CBB | CGB | CD4 | H10 | 2.7° | 0.0° |
| CBB | CGB | CD3 | H14 | 3.9° | 0.3° |
| CBB | CAB | NB | CB | 126.1° | 120.5° |
| CBB | CAB | NB | H6 | 120.4° | 119.0° |
| CBB | CAB | CB | H6 | 118.6° | 119.0° |
| CBB | CAB | NB | CA | 107.5° | 101.0° |
| CBB | CAB | CB | OB | 70.6° | 79.2° |
| CBB | CAB | CB | NA | 109.1° | 100.5° |
| CBB | CAB | NB | H7 | 72.5° | 79.0° |
| CAB | CBB | H8 | H9 | 118.3° | 120.0° |
| CBA | CAA | CA | NB | 103.1° | 100.5° |
| CBA | CAA | NA | CB | 107.2° | 101.0° |
| CBA | CAA | CA | NA | 120.0° | 120.5° |
| CBA | CAA | CA | H2 | 120.6° | 119.1° |
| CBA | CAA | CA | OA | 76.9° | 79.2° |
| CBA | CAA | NA | H2 | 117.6° | 119.1° |
| CBA | CAA | NA | H1 | 72.8° | 79.1° |
| CAA | CBA | H3 | H4 | 120.0° | 120.0° |
| CAA | CBA | H3 | H5 | 120.0° | 120.0° |
| CAA | CBA | H4 | H5 | 120.0° | 120.0° |
| NB | CAB | CB | H6 | 114.3° | 120.5° |
| CAB | NB | CA | H7 | 180.0° | 179.9° |
| NB | CAB | CB | OB | 162.3° | 160.3° |
| NB | CAB | CB | NA | 18.0° | 19.9° |
| CAB | NB | CA | CAA | 1.5° | 0.2° |
| CAB | NB | CA | OA | 178.4° | 179.9° |
| NB | CAB | CBB | H8 | 176.5° | 55.0° |
| NB | CAB | CBB | H9 | 57.7° | 175.0° |
| CB | CAB | NB | CA | 18.6° | 19.4° |
| CAB | CB | OB | NA | 179.7° | 179.8° |
| CAB | CB | NA | CAA | 0.9° | 0.2° |
| CAB | CB | NA | H1 | 179.1° | 179.9° |
| CB | CAB | NB | H7 | 161.4° | 160.5° |
| CB | CAB | CBB | H8 | 53.5° | 66.8° |
| CB | CAB | CBB | H9 | 65.4° | 53.2° |
| NB | CA | CAA | OA | 179.9° | 179.7° |
| NB | CA | CAA | NA | 17.0° | 20.0° |
| NB | CA | CAA | H2 | 136.4° | 140.5° |
| CA | NB | CAB | H6 | 132.1° | 139.9° |
| OB | CB | NA | CAA | 179.3° | 179.9° |
| OB | CB | NA | H1 | 0.6° | 0.1° |
| OB | CB | CAB | H6 | 48.0° | 39.8° |
| CB | NA | CAA | CA | 16.5° | 19.5° |
| CB | NA | CAA | H1 | 180.0° | 179.9° |
| CB | NA | CAA | H2 | 135.2° | 140.0° |
| NA | CB | CAB | H6 | 132.3° | 140.5° |
| CA | CAA | NA | H2 | 118.6° | 120.5° |
| CA | CAA | NA | H1 | 163.4° | 160.5° |
| CA | CAA | CBA | H3 | 180.0° | 61.8° |
| CA | CAA | CBA | H4 | 60.0° | 58.2° |
| CA | CAA | CBA | H5 | 60.0° | 178.3° |
| CAA | CA | NB | H7 | 178.5° | 179.8° |
| OA | CA | CAA | NA | 163.1° | 160.4° |
| OA | CA | CAA | H2 | 43.7° | 39.9° |
| OA | CA | NB | H7 | 1.6° | 0.2° |
| NA | CAA | CBA | H3 | 58.3° | 60.0° |
| NA | CAA | CBA | H4 | 61.7° | 180.0° |
| NA | CAA | CBA | H5 | 178.3° | 59.9° |
| H1 | NA | CAA | H2 | 44.8° | 40.0° |
| H2 | CAA | CBA | H3 | 59.8° | 179.1° |
| H2 | CAA | CBA | H4 | 179.7° | 60.9° |
| H2 | CAA | CBA | H5 | 60.3° | 59.2° |
| H3 | CBA | H4 | H5 | 120.0° | 120.0° |
| H6 | CAB | NB | H7 | 48.0° | 40.0° |
| H6 | CAB | CBB | H8 | 63.7° | 174.1° |
| H6 | CAB | CBB | H9 | 177.5° | 65.9° |
| H10 | CD4 | CE4 | H11 | 0.4° | 0.0° |
| H13 | CE3 | CD3 | H14 | 3.0° | 0.3° |
