1G4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OHB | CZB | sing | 1.36Å | 1.32Å | |
| CE1 | CD1 | doub | 1.38Å | 1.42Å | Aromatic |
| CE1 | CZA | sing | 1.39Å | 1.37Å | Aromatic |
| CZB | CE3 | doub | 1.39Å | 1.44Å | Aromatic |
| CZB | CE4 | sing | 1.39Å | 1.45Å | Aromatic |
| CE3 | CD3 | sing | 1.38Å | 1.46Å | Aromatic |
| CE4 | CD4 | doub | 1.38Å | 1.35Å | Aromatic |
| CD3 | CGB | doub | 1.38Å | 1.43Å | Aromatic |
| CD1 | CGA | sing | 1.38Å | 1.43Å | Aromatic |
| CD4 | CGB | sing | 1.38Å | 1.44Å | Aromatic |
| OHA | CZA | sing | 1.36Å | 1.38Å | |
| CGB | CBB | sing | 1.51Å | 1.52Å | |
| CZA | CE2 | doub | 1.39Å | 1.39Å | Aromatic |
| CBB | CAB | sing | 1.53Å | 1.61Å | |
| CGA | CBA | sing | 1.51Å | 1.50Å | |
| CGA | CD2 | doub | 1.38Å | 1.36Å | Aromatic |
| CE2 | CD2 | sing | 1.38Å | 1.46Å | Aromatic |
| CBA | CAA | sing | 1.53Å | 1.61Å | |
| CAB | CB | sing | 1.50Å | 1.52Å | |
| CAB | NB | sing | 1.47Å | 1.50Å | |
| CA | NB | sing | 1.47Å | 1.46Å | |
| CA | CAA | sing | 1.53Å | 1.63Å | |
| CB | OB | doub | 1.21Å | 1.19Å | |
| CB | NA | sing | 1.34Å | 1.32Å | |
| CAA | NA | sing | 1.46Å | 1.52Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CBB | H2 | sing | 1.09Å | 1.10Å | |
| CBB | H3 | sing | 1.09Å | 1.10Å | |
| CD4 | H4 | sing | 1.08Å | 1.08Å | |
| CE4 | H5 | sing | 1.08Å | 1.08Å | |
| OHB | H6 | sing | 0.97Å | 0.95Å | |
| CE3 | H7 | sing | 1.08Å | 1.08Å | |
| CD3 | H8 | sing | 1.08Å | 1.08Å | |
| NB | H9 | sing | 1.01Å | 1.00Å | |
| CA | H11 | sing | 1.09Å | 1.10Å | |
| CA | H12 | sing | 1.09Å | 1.10Å | |
| CAA | H13 | sing | 1.09Å | 1.10Å | |
| NA | H14 | sing | 0.97Å | 1.00Å | |
| CBA | H15 | sing | 1.09Å | 1.10Å | |
| CBA | H16 | sing | 1.09Å | 1.10Å | |
| CD2 | H17 | sing | 1.08Å | 1.08Å | |
| CE2 | H18 | sing | 1.08Å | 1.08Å | |
| OHA | H19 | sing | 0.97Å | 0.95Å | |
| CE1 | H20 | sing | 1.08Å | 1.08Å | |
| CD1 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OHB | CZB | CE3 | 121.4° | 120.1° |
| OHB | CZB | CE4 | 119.4° | 120.1° |
| CZB | OHB | H6 | 109.5° | 114.0° |
| CD1 | CE1 | CZA | 116.0° | 120.0° |
| CE1 | CD1 | CGA | 124.6° | 120.0° |
| CD1 | CE1 | H20 | 122.0° | 120.0° |
| CE1 | CD1 | H21 | 117.7° | 120.0° |
| CE1 | CZA | OHA | 123.8° | 120.1° |
| CE1 | CZA | CE2 | 123.7° | 119.9° |
| CZA | CE1 | H20 | 122.0° | 120.0° |
| CE3 | CZB | CE4 | 119.2° | 119.9° |
| CZB | CE3 | CD3 | 120.1° | 119.9° |
| CZB | CE3 | H7 | 120.0° | 120.0° |
| CZB | CE4 | CD4 | 119.6° | 119.9° |
| CZB | CE4 | H5 | 120.2° | 120.1° |
| CE3 | CD3 | CGB | 118.7° | 120.1° |
| CD3 | CE3 | H7 | 119.9° | 120.1° |
| CE3 | CD3 | H8 | 120.6° | 120.0° |
| CE4 | CD4 | CGB | 123.8° | 120.1° |
| CE4 | CD4 | H4 | 118.1° | 119.9° |
| CD4 | CE4 | H5 | 120.2° | 120.0° |
| CD3 | CGB | CD4 | 118.4° | 120.1° |
| CD3 | CGB | CBB | 119.8° | 120.0° |
| CGB | CD3 | H8 | 120.6° | 119.9° |
| CD1 | CGA | CBA | 123.2° | 120.0° |
| CD1 | CGA | CD2 | 115.6° | 120.1° |
| CGA | CD1 | H21 | 117.7° | 120.0° |
| CD4 | CGB | CBB | 121.8° | 120.0° |
| CGB | CD4 | H4 | 118.1° | 120.0° |
| OHA | CZA | CE2 | 112.5° | 120.1° |
| CZA | OHA | H19 | 109.5° | 114.0° |
| CGB | CBB | CAB | 110.0° | 109.4° |
| CGB | CBB | H2 | 109.3° | 109.5° |
| CGB | CBB | H3 | 109.3° | 109.5° |
| CZA | CE2 | CD2 | 117.4° | 120.0° |
| CZA | CE2 | H18 | 121.3° | 120.1° |
| CBB | CAB | CB | 112.9° | 109.4° |
| CBB | CAB | NB | 109.8° | 109.4° |
| CBB | CAB | H1 | 106.0° | 109.3° |
| CAB | CBB | H2 | 109.4° | 109.5° |
| CAB | CBB | H3 | 109.4° | 109.5° |
| CBA | CGA | CD2 | 121.2° | 119.9° |
| CGA | CBA | CAA | 113.6° | 109.5° |
| CGA | CBA | H15 | 108.4° | 109.5° |
| CGA | CBA | H16 | 108.4° | 109.5° |
| CGA | CD2 | CE2 | 122.8° | 120.0° |
| CGA | CD2 | H17 | 118.6° | 120.0° |
| CE2 | CD2 | H17 | 118.6° | 120.0° |
| CD2 | CE2 | H18 | 121.3° | 120.0° |
| CBA | CAA | CA | 112.1° | 109.4° |
| CBA | CAA | NA | 105.9° | 109.5° |
| CBA | CAA | H13 | 109.4° | 109.3° |
| CAA | CBA | H15 | 108.5° | 109.5° |
| CAA | CBA | H16 | 108.4° | 109.4° |
| CB | CAB | NB | 113.7° | 110.0° |
| CAB | CB | OB | 123.0° | 118.6° |
| CAB | CB | NA | 122.0° | 122.8° |
| CB | CAB | H1 | 106.9° | 109.4° |
| CAB | NB | CA | 111.5° | 110.2° |
| NB | CAB | H1 | 107.1° | 109.3° |
| CAB | NB | H9 | 108.9° | 111.0° |
| NB | CA | CAA | 119.4° | 108.7° |
| CA | NB | H9 | 109.0° | 111.0° |
| NB | CA | H11 | 106.9° | 109.6° |
| NB | CA | H12 | 106.9° | 109.5° |
| CA | CAA | NA | 109.7° | 110.0° |
| CAA | CA | H11 | 106.9° | 109.6° |
| CAA | CA | H12 | 106.9° | 109.6° |
| CA | CAA | H13 | 109.1° | 109.4° |
| OB | CB | NA | 115.0° | 118.6° |
| CB | NA | CAA | 125.3° | 122.9° |
| CB | NA | H14 | 117.3° | 118.5° |
| NA | CAA | H13 | 110.6° | 109.2° |
| CAA | NA | H14 | 117.4° | 118.6° |
| H2 | CBB | H3 | 109.5° | 109.5° |
| H11 | CA | H12 | 109.5° | 109.7° |
| H15 | CBA | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OHB | CZB | CE3 | CE4 | 179.8° | 179.8° |
| OHB | CZB | CE3 | CD3 | 179.6° | 180.0° |
| OHB | CZB | CE4 | CD4 | 178.1° | 179.8° |
| OHB | CZB | CE4 | H5 | 1.9° | 0.2° |
| OHB | CZB | CE3 | H7 | 0.4° | 0.1° |
| CD1 | CE1 | CZA | H20 | 180.0° | 179.5° |
| CE1 | CD1 | CGA | H21 | 180.0° | 179.5° |
| CD1 | CE1 | CZA | OHA | 179.5° | 179.7° |
| CD1 | CE1 | CZA | CE2 | 1.5° | 0.2° |
| CE1 | CD1 | CGA | CBA | 179.2° | 179.8° |
| CE1 | CD1 | CGA | CD2 | 0.7° | 0.5° |
| CZA | CE1 | CD1 | CGA | 1.1° | 0.5° |
| CE1 | CZA | OHA | CE2 | 179.1° | 179.9° |
| CE1 | CZA | CE2 | CD2 | 1.6° | 0.0° |
| CE1 | CZA | CE2 | H18 | 178.4° | 180.0° |
| CE1 | CZA | OHA | H19 | 180.0° | 90.0° |
| CZA | CE1 | CD1 | H21 | 179.0° | 180.0° |
| CZB | CE3 | CD3 | H7 | 180.0° | 179.9° |
| CE3 | CZB | CE4 | CD4 | 2.1° | 0.0° |
| CZB | CE3 | CD3 | CGB | 3.5° | 0.5° |
| CE3 | CZB | CE4 | H5 | 178.0° | 180.0° |
| CE3 | CZB | OHB | H6 | 180.0° | 90.0° |
| CZB | CE3 | CD3 | H8 | 176.4° | 180.0° |
| CE4 | CZB | CE3 | CD3 | 0.5° | 0.2° |
| CZB | CE4 | CD4 | H5 | 180.0° | 180.0° |
| CZB | CE4 | CD4 | CGB | 0.6° | 0.0° |
| CZB | CE4 | CD4 | H4 | 179.5° | 180.0° |
| CE4 | CZB | OHB | H6 | 0.2° | 89.8° |
| CE4 | CZB | CE3 | H7 | 179.5° | 179.9° |
| CE3 | CD3 | CGB | H8 | 180.0° | 179.5° |
| CE3 | CD3 | CGB | CD4 | 6.0° | 0.6° |
| CE3 | CD3 | CGB | CBB | 176.2° | 179.8° |
| CE4 | CD4 | CGB | CD3 | 4.7° | 0.3° |
| CE4 | CD4 | CGB | H4 | 180.0° | 180.0° |
| CE4 | CD4 | CGB | CBB | 177.5° | 180.0° |
| CD3 | CGB | CD4 | CBB | 177.8° | 179.7° |
| CD3 | CGB | CBB | CAB | 95.7° | 90.3° |
| CD3 | CGB | CBB | H2 | 24.4° | 149.7° |
| CD3 | CGB | CBB | H3 | 144.3° | 29.7° |
| CD3 | CGB | CD4 | H4 | 175.3° | 179.7° |
| CGB | CD3 | CE3 | H7 | 176.5° | 179.6° |
| CD1 | CGA | CBA | CD2 | 178.3° | 179.7° |
| CD1 | CGA | CD2 | CE2 | 0.8° | 0.3° |
| CD1 | CGA | CBA | CAA | 111.5° | 90.2° |
| CD1 | CGA | CBA | H15 | 9.1° | 149.7° |
| CD1 | CGA | CBA | H16 | 127.8° | 29.7° |
| CD1 | CGA | CD2 | H17 | 179.2° | 179.8° |
| CGA | CD1 | CE1 | H20 | 178.9° | 180.0° |
| CD4 | CGB | CBB | CAB | 86.6° | 90.0° |
| CD4 | CGB | CBB | H2 | 153.3° | 30.0° |
| CD4 | CGB | CBB | H3 | 33.5° | 150.0° |
| CGB | CD4 | CE4 | H5 | 179.4° | 180.0° |
| CD4 | CGB | CD3 | H8 | 174.0° | 180.0° |
| OHA | CZA | CE2 | CD2 | 179.3° | 180.0° |
| OHA | CZA | CE2 | H18 | 0.7° | 0.1° |
| OHA | CZA | CE1 | H20 | 0.6° | 0.2° |
| CGB | CBB | CAB | H2 | 120.1° | 120.0° |
| CGB | CBB | CAB | H3 | 120.1° | 120.0° |
| CGB | CBB | CAB | CB | 168.7° | 175.0° |
| CGB | CBB | CAB | NB | 63.4° | 64.5° |
| CGB | CBB | CAB | H1 | 51.9° | 55.2° |
| CGB | CBB | H2 | H3 | 119.7° | 120.0° |
| CBB | CGB | CD4 | H4 | 2.4° | 0.0° |
| CBB | CGB | CD3 | H8 | 3.8° | 0.3° |
| CZA | CE2 | CD2 | CGA | 1.2° | 0.0° |
| CZA | CE2 | CD2 | H18 | 180.0° | 180.0° |
| CZA | CE2 | CD2 | H17 | 178.7° | 180.0° |
| CE2 | CZA | OHA | H19 | 0.9° | 90.0° |
| CE2 | CZA | CE1 | H20 | 178.5° | 179.7° |
| CBB | CAB | CB | NB | 125.9° | 120.2° |
| CBB | CAB | CB | H1 | 116.2° | 119.7° |
| CBB | CAB | NB | H1 | 114.6° | 119.7° |
| CBB | CAB | NB | CA | 79.1° | 170.4° |
| CBB | CAB | CB | OB | 80.9° | 42.7° |
| CBB | CAB | CB | NA | 98.2° | 137.6° |
| CAB | CBB | H2 | H3 | 119.8° | 120.0° |
| CBB | CAB | NB | H9 | 41.2° | 47.1° |
| CBA | CGA | CD2 | CE2 | 179.3° | 180.0° |
| CGA | CBA | CAA | H15 | 120.6° | 120.1° |
| CGA | CBA | CAA | H16 | 120.6° | 120.0° |
| CGA | CBA | CAA | CA | 45.5° | 175.0° |
| CGA | CBA | CAA | NA | 165.1° | 64.4° |
| CGA | CBA | CAA | H13 | 75.7° | 55.2° |
| CGA | CBA | H15 | H16 | 118.1° | 120.0° |
| CBA | CGA | CD2 | H17 | 0.7° | 0.0° |
| CBA | CGA | CD1 | H21 | 0.9° | 0.2° |
| CGA | CD2 | CE2 | H17 | 180.0° | 179.9° |
| CD2 | CGA | CBA | CAA | 70.1° | 90.0° |
| CD2 | CGA | CBA | H15 | 169.3° | 30.0° |
| CD2 | CGA | CBA | H16 | 50.5° | 150.0° |
| CGA | CD2 | CE2 | H18 | 178.8° | 179.9° |
| CD2 | CGA | CD1 | H21 | 179.3° | 180.0° |
| CBA | CAA | CA | NB | 133.9° | 69.9° |
| CBA | CAA | CA | NA | 117.4° | 120.4° |
| CBA | CAA | CA | H13 | 121.4° | 119.7° |
| CBA | CAA | NA | CB | 113.8° | 101.7° |
| CBA | CAA | NA | H13 | 118.5° | 119.6° |
| CBA | CAA | CA | H11 | 12.5° | 49.9° |
| CBA | CAA | CA | H12 | 104.7° | 170.4° |
| CBA | CAA | NA | H14 | 66.2° | 78.1° |
| CAA | CBA | H15 | H16 | 118.1° | 119.9° |
| CB | CAB | NB | H1 | 117.8° | 120.1° |
| CB | CAB | NB | CA | 48.5° | 50.3° |
| CAB | CB | OB | NA | 179.1° | 179.7° |
| CAB | CB | NA | CAA | 1.4° | 2.2° |
| CB | CAB | CBB | H2 | 48.6° | 65.0° |
| CB | CAB | CBB | H3 | 71.2° | 55.0° |
| CB | CAB | NB | H9 | 168.7° | 73.1° |
| CAB | CB | NA | H14 | 178.6° | 178.0° |
| CAB | NB | CA | H9 | 120.3° | 123.4° |
| CAB | NB | CA | CAA | 44.0° | 69.0° |
| NB | CAB | CB | OB | 153.3° | 162.9° |
| NB | CAB | CB | NA | 27.7° | 17.5° |
| NB | CAB | CBB | H2 | 176.6° | 55.5° |
| NB | CAB | CBB | H3 | 56.7° | 175.5° |
| CAB | NB | CA | H11 | 77.4° | 171.2° |
| CAB | NB | CA | H12 | 165.4° | 50.8° |
| NB | CA | CAA | H11 | 121.4° | 119.8° |
| NB | CA | CAA | H12 | 121.4° | 119.7° |
| NB | CA | CAA | NA | 16.6° | 50.5° |
| CA | NB | CAB | H1 | 166.3° | 69.8° |
| NB | CA | H11 | H12 | 115.5° | 120.3° |
| NB | CA | CAA | H13 | 104.7° | 170.4° |
| CA | CAA | NA | CB | 7.4° | 18.6° |
| CA | CAA | NA | H13 | 120.3° | 120.1° |
| CAA | CA | NB | H9 | 164.3° | 54.4° |
| CAA | CA | H11 | H12 | 115.5° | 120.4° |
| CA | CAA | NA | H14 | 172.5° | 161.6° |
| CA | CAA | CBA | H15 | 75.1° | 64.9° |
| CA | CAA | CBA | H16 | 166.1° | 54.9° |
| OB | CB | NA | CAA | 177.7° | 178.1° |
| OB | CB | CAB | H1 | 35.3° | 77.1° |
| OB | CB | NA | H14 | 2.3° | 1.6° |
| CB | NA | CAA | H14 | 180.0° | 179.7° |
| NA | CB | CAB | H1 | 145.7° | 102.6° |
| CB | NA | CAA | H13 | 127.8° | 138.7° |
| NA | CAA | CA | H11 | 104.8° | 170.3° |
| NA | CAA | CA | H12 | 138.0° | 69.2° |
| NA | CAA | CBA | H15 | 44.5° | 55.7° |
| NA | CAA | CBA | H16 | 74.3° | 175.6° |
| H1 | CAB | CBB | H2 | 68.1° | 175.2° |
| H1 | CAB | CBB | H3 | 172.0° | 64.8° |
| H1 | CAB | NB | H9 | 73.4° | 166.8° |
| H4 | CD4 | CE4 | H5 | 0.6° | 0.0° |
| H7 | CE3 | CD3 | H8 | 3.5° | 0.2° |
| H9 | NB | CA | H11 | 42.9° | 65.4° |
| H9 | NB | CA | H12 | 74.3° | 174.1° |
| H11 | CA | CAA | H13 | 133.9° | 69.8° |
| H12 | CA | CAA | H13 | 16.7° | 50.7° |
| H13 | CAA | NA | H14 | 52.2° | 41.6° |
| H13 | CAA | CBA | H15 | 163.7° | 175.3° |
| H13 | CAA | CBA | H16 | 45.0° | 64.8° |
| H17 | CD2 | CE2 | H18 | 1.3° | 0.0° |
| H20 | CE1 | CD1 | H21 | 1.1° | 0.5° |
