GOH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | doub | 1.30Å | 1.32Å | Aromatic |
| C1 | O | sing | 1.34Å | 1.41Å | Aromatic |
| C1 | C5 | sing | 1.51Å | 1.46Å | |
| N1 | C2 | sing | 1.36Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.37Å | 1.40Å | Aromatic |
| C2 | C4 | sing | 1.48Å | 1.43Å | |
| C3 | O | sing | 1.35Å | 1.41Å | Aromatic |
| C3 | N2 | sing | 1.39Å | 1.37Å | |
| C4 | N3 | doub | 1.32Å | 1.39Å | Aromatic |
| C4 | N6 | sing | 1.36Å | 1.40Å | Aromatic |
| N2 | C6 | sing | 1.37Å | 1.40Å | Aromatic |
| N2 | C9 | sing | 1.37Å | 1.40Å | Aromatic |
| C5 | C10 | sing | 1.53Å | 1.51Å | |
| C5 | C11 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | doub | 1.35Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.41Å | 1.44Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.39Å | Aromatic |
| N3 | N4 | sing | 1.28Å | 1.29Å | Aromatic |
| N4 | N5 | doub | 1.29Å | 1.33Å | Aromatic |
| N5 | N6 | sing | 1.41Å | 1.30Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N6 | H6 | sing | 0.97Å | 1.00Å | |
| C6 | HA | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | O | 112.6° | 109.4° |
| N1 | C1 | C5 | 131.6° | 125.3° |
| C1 | N1 | C2 | 107.1° | 108.6° |
| O | C1 | C5 | 115.8° | 125.3° |
| C1 | O | C3 | 104.0° | 108.1° |
| C1 | C5 | C10 | 119.7° | 117.5° |
| C1 | C5 | C11 | 119.5° | 117.5° |
| C1 | C5 | H5 | 116.0° | 115.5° |
| N1 | C2 | C3 | 108.0° | 107.1° |
| N1 | C2 | C4 | 124.7° | 126.5° |
| C3 | C2 | C4 | 127.2° | 126.4° |
| C2 | C3 | O | 108.3° | 106.8° |
| C2 | C3 | N2 | 134.9° | 126.6° |
| C2 | C4 | N3 | 126.0° | 126.6° |
| C2 | C4 | N6 | 125.6° | 126.5° |
| O | C3 | N2 | 116.8° | 126.6° |
| C3 | N2 | C6 | 125.3° | 125.7° |
| C3 | N2 | C9 | 125.2° | 125.7° |
| N3 | C4 | N6 | 108.4° | 106.9° |
| C4 | N3 | N4 | 104.9° | 110.6° |
| C4 | N6 | N5 | 104.3° | 105.1° |
| C4 | N6 | H6 | 127.8° | 127.5° |
| C6 | N2 | C9 | 109.5° | 108.6° |
| N2 | C6 | C7 | 107.5° | 108.2° |
| N2 | C6 | HA | 126.2° | 125.9° |
| N2 | C9 | C8 | 107.4° | 108.2° |
| N2 | C9 | H9 | 126.3° | 125.9° |
| C10 | C5 | C11 | 59.7° | 60.0° |
| C5 | C10 | C11 | 60.2° | 60.0° |
| C10 | C5 | H5 | 115.1° | 117.5° |
| C5 | C10 | H101 | 119.9° | 117.5° |
| C5 | C10 | H102 | 119.9° | 117.5° |
| C5 | C11 | C10 | 60.1° | 60.0° |
| C11 | C5 | H5 | 115.1° | 117.5° |
| C5 | C11 | H111 | 120.0° | 117.5° |
| C5 | C11 | H112 | 119.9° | 117.5° |
| C6 | C7 | C8 | 107.6° | 107.5° |
| C7 | C6 | HA | 126.2° | 125.8° |
| C6 | C7 | H7 | 126.2° | 126.3° |
| C7 | C8 | C9 | 107.9° | 107.4° |
| C8 | C7 | H7 | 126.2° | 126.2° |
| C7 | C8 | H8 | 126.0° | 126.3° |
| C8 | C9 | H9 | 126.3° | 125.9° |
| C9 | C8 | H8 | 126.0° | 126.3° |
| N3 | N4 | N5 | 110.9° | 110.6° |
| N4 | N5 | N6 | 111.5° | 106.9° |
| N5 | N6 | H6 | 127.9° | 127.4° |
| C11 | C10 | H101 | 120.0° | 117.5° |
| C11 | C10 | H102 | 120.0° | 117.5° |
| C10 | C11 | H111 | 120.0° | 117.5° |
| C10 | C11 | H112 | 120.0° | 117.5° |
| H101 | C10 | H102 | 109.5° | 115.6° |
| H111 | C11 | H112 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | O | C5 | 179.8° | 179.7° |
| C1 | N1 | C2 | C3 | 0.0° | 0.0° |
| C1 | N1 | C2 | C4 | 179.6° | 180.0° |
| N1 | C1 | O | C3 | 0.1° | 0.0° |
| N1 | C1 | C5 | C10 | 144.2° | 59.9° |
| N1 | C1 | C5 | C11 | 146.0° | 8.7° |
| N1 | C1 | C5 | H5 | 1.1° | 154.4° |
| O | C1 | N1 | C2 | 0.1° | 0.0° |
| C1 | O | C3 | C2 | 0.0° | 0.0° |
| C1 | O | C3 | N2 | 179.9° | 180.0° |
| O | C1 | C5 | C10 | 35.5° | 119.7° |
| O | C1 | C5 | C11 | 34.3° | 171.7° |
| O | C1 | C5 | H5 | 179.2° | 26.0° |
| C5 | C1 | N1 | C2 | 179.6° | 179.7° |
| C5 | C1 | O | C3 | 179.7° | 179.7° |
| C1 | C5 | C10 | C11 | 108.8° | 107.5° |
| C1 | C5 | C10 | H5 | 145.6° | 145.0° |
| C1 | C5 | C11 | H5 | 145.2° | 145.0° |
| C1 | C5 | C10 | H101 | 141.6° | 145.1° |
| C1 | C5 | C10 | H102 | 0.7° | 0.0° |
| C1 | C5 | C11 | H111 | 0.3° | 0.0° |
| C1 | C5 | C11 | H112 | 141.3° | 145.0° |
| N1 | C2 | C3 | C4 | 179.5° | 180.0° |
| N1 | C2 | C3 | O | 0.0° | 0.0° |
| N1 | C2 | C3 | N2 | 180.0° | 180.0° |
| N1 | C2 | C4 | N3 | 155.2° | 174.2° |
| N1 | C2 | C4 | N6 | 24.6° | 6.2° |
| C2 | C3 | O | N2 | 180.0° | 180.0° |
| C3 | C2 | C4 | N3 | 24.2° | 5.8° |
| C3 | C2 | C4 | N6 | 156.0° | 173.9° |
| C2 | C3 | N2 | C6 | 64.0° | 131.5° |
| C2 | C3 | N2 | C9 | 115.2° | 48.9° |
| C4 | C2 | C3 | O | 179.5° | 180.0° |
| C4 | C2 | C3 | N2 | 0.5° | 0.0° |
| C2 | C4 | N3 | N6 | 179.8° | 179.7° |
| C2 | C4 | N3 | N4 | 179.9° | 179.9° |
| C2 | C4 | N6 | N5 | 179.9° | 179.9° |
| C2 | C4 | N6 | H6 | 0.1° | 0.1° |
| O | C3 | N2 | C6 | 116.0° | 48.5° |
| O | C3 | N2 | C9 | 64.8° | 131.1° |
| C3 | N2 | C6 | C9 | 179.3° | 179.7° |
| C3 | N2 | C6 | C7 | 179.9° | 180.0° |
| C3 | N2 | C9 | C8 | 179.7° | 179.8° |
| C3 | N2 | C6 | HA | 0.1° | 0.1° |
| C3 | N2 | C9 | H9 | 0.3° | 0.1° |
| C4 | N3 | N4 | N5 | 0.1° | 0.0° |
| N3 | C4 | N6 | N5 | 0.1° | 0.4° |
| N3 | C4 | N6 | H6 | 179.9° | 179.8° |
| N6 | C4 | N3 | N4 | 0.1° | 0.3° |
| C4 | N6 | N5 | N4 | 0.0° | 0.4° |
| C4 | N6 | N5 | H6 | 180.0° | 179.8° |
| N2 | C6 | C7 | HA | 180.0° | 179.9° |
| N2 | C6 | C7 | C8 | 0.1° | 0.0° |
| C6 | N2 | C9 | C8 | 1.0° | 0.5° |
| C6 | N2 | C9 | H9 | 179.0° | 179.8° |
| N2 | C6 | C7 | H7 | 179.9° | 180.0° |
| C9 | N2 | C6 | C7 | 0.6° | 0.3° |
| N2 | C9 | C8 | C7 | 1.0° | 0.5° |
| N2 | C9 | C8 | H9 | 180.0° | 179.7° |
| C9 | N2 | C6 | HA | 179.4° | 179.7° |
| N2 | C9 | C8 | H8 | 179.0° | 179.8° |
| C10 | C5 | C11 | H5 | 105.6° | 107.5° |
| C5 | C10 | C11 | H101 | 109.5° | 107.5° |
| C5 | C10 | C11 | H102 | 109.5° | 107.5° |
| C5 | C10 | H101 | H102 | 144.6° | 145.7° |
| C10 | C5 | C11 | H111 | 109.5° | 107.5° |
| C10 | C5 | C11 | H112 | 109.5° | 107.5° |
| C5 | C11 | H111 | H112 | 144.6° | 145.7° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.7° | 0.3° |
| C6 | C7 | C8 | H8 | 179.3° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.8° |
| C8 | C7 | C6 | HA | 179.9° | 180.0° |
| C7 | C8 | C9 | H9 | 178.9° | 179.8° |
| C9 | C8 | C7 | H7 | 179.3° | 179.7° |
| N3 | N4 | N5 | N6 | 0.0° | 0.2° |
| N4 | N5 | N6 | H6 | 179.9° | 179.8° |
| C11 | C10 | H101 | H102 | 144.7° | 145.7° |
| C10 | C11 | H111 | H112 | 144.7° | 145.7° |
| H5 | C5 | C10 | H101 | 4.0° | 0.0° |
| H5 | C5 | C10 | H102 | 144.9° | 145.0° |
| H5 | C5 | C11 | H111 | 144.9° | 145.0° |
| H5 | C5 | C11 | H112 | 3.9° | 0.0° |
| HA | C6 | C7 | H7 | 0.1° | 0.1° |
| H9 | C9 | C8 | H8 | 1.1° | 0.0° |
| H101 | C10 | C11 | H111 | 141.0° | 145.0° |
| H101 | C10 | C11 | H112 | 0.0° | 0.0° |
| H102 | C10 | C11 | H111 | 0.0° | 0.0° |
| H102 | C10 | C11 | H112 | 141.0° | 145.0° |
| H7 | C7 | C8 | H8 | 0.7° | 0.1° |
