GH1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C06 | C07 | doub | 1.40Å | 1.38Å | Aromatic |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| C03 | O02 | sing | 1.36Å | 1.41Å | |
| C03 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C07 | C09 | sing | 1.47Å | 1.52Å | |
| C09 | O10 | doub | 1.21Å | 1.41Å | |
| C09 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | O12 | sing | 1.43Å | 1.39Å | |
| O12 | C13 | sing | 1.36Å | 1.40Å | |
| C13 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| S26 | C20 | sing | 1.82Å | 1.71Å | |
| S26 | C24 | sing | 1.77Å | 1.71Å | |
| C20 | C21 | sing | 1.51Å | 1.41Å | |
| C24 | O25 | doub | 1.22Å | 1.40Å | |
| C24 | N23 | sing | 1.34Å | 1.34Å | |
| C21 | N23 | sing | 1.32Å | 1.35Å | |
| C21 | O22 | doub | 1.21Å | 1.40Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| N23 | H17 | sing | 0.97Å | 1.00Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C05 | C06 | 121.7° | 120.2° |
| C05 | C04 | C03 | 119.9° | 120.3° |
| C05 | C04 | H6 | 120.1° | 119.8° |
| C04 | C05 | H7 | 119.2° | 119.9° |
| C05 | C06 | C07 | 118.4° | 119.9° |
| C06 | C05 | H7 | 119.2° | 119.9° |
| C05 | C06 | H8 | 120.8° | 120.0° |
| C04 | C03 | O02 | 118.8° | 119.9° |
| C04 | C03 | C08 | 119.2° | 120.1° |
| C03 | C04 | H6 | 120.1° | 119.9° |
| C06 | C07 | C08 | 120.8° | 119.8° |
| C06 | C07 | C09 | 117.7° | 120.1° |
| C07 | C06 | H8 | 120.8° | 120.1° |
| C01 | O02 | C03 | 113.5° | 117.0° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| O02 | C01 | H4 | 109.5° | 109.5° |
| O02 | C01 | H5 | 109.5° | 109.5° |
| O02 | C03 | C08 | 121.9° | 120.0° |
| C03 | C08 | C07 | 120.0° | 119.7° |
| C03 | C08 | H9 | 120.0° | 120.1° |
| C08 | C07 | C09 | 121.5° | 120.2° |
| C07 | C08 | H9 | 120.0° | 120.1° |
| C07 | C09 | O10 | 110.7° | 120.0° |
| C07 | C09 | C11 | 108.4° | 120.0° |
| O10 | C09 | C11 | 110.6° | 120.0° |
| C09 | C11 | O12 | 106.3° | 109.4° |
| C09 | C11 | H11 | 110.2° | 109.4° |
| C09 | C11 | H12 | 110.3° | 109.4° |
| C11 | O12 | C13 | 117.1° | 117.0° |
| O12 | C11 | H11 | 110.3° | 109.5° |
| O12 | C11 | H12 | 110.3° | 109.5° |
| O12 | C13 | C18 | 120.9° | 120.0° |
| O12 | C13 | C14 | 118.8° | 120.1° |
| C18 | C13 | C14 | 120.3° | 119.9° |
| C13 | C18 | C17 | 120.6° | 119.9° |
| C13 | C18 | H14 | 119.7° | 120.1° |
| C13 | C14 | C15 | 119.2° | 119.9° |
| C13 | C14 | H13 | 120.4° | 120.0° |
| C18 | C17 | C16 | 118.3° | 120.0° |
| C18 | C17 | H2 | 120.9° | 120.0° |
| C17 | C18 | H14 | 119.7° | 120.0° |
| C14 | C15 | C16 | 120.4° | 120.1° |
| C14 | C15 | H1 | 119.8° | 120.0° |
| C15 | C14 | H13 | 120.4° | 120.0° |
| C17 | C16 | C15 | 121.2° | 120.1° |
| C17 | C16 | C19 | 121.8° | 119.9° |
| C16 | C17 | H2 | 120.9° | 120.0° |
| C15 | C16 | C19 | 116.9° | 120.0° |
| C16 | C15 | H1 | 119.8° | 120.0° |
| C16 | C19 | C20 | 121.6° | 109.5° |
| C16 | C19 | H15 | 106.4° | 109.5° |
| C16 | C19 | H16 | 106.4° | 109.5° |
| C19 | C20 | S26 | 133.9° | 110.9° |
| C19 | C20 | C21 | 121.3° | 110.7° |
| C20 | C19 | H15 | 106.4° | 109.4° |
| C20 | C19 | H16 | 106.3° | 109.5° |
| C19 | C20 | H19 | 90.2° | 110.6° |
| C20 | S26 | C24 | 95.6° | 94.3° |
| S26 | C20 | C21 | 104.8° | 103.0° |
| S26 | C20 | H19 | 90.2° | 110.7° |
| S26 | C24 | O25 | 128.8° | 126.2° |
| S26 | C24 | N23 | 108.6° | 107.7° |
| C20 | C21 | N23 | 116.3° | 113.8° |
| C20 | C21 | O22 | 122.7° | 123.1° |
| C21 | C20 | H19 | 90.2° | 110.7° |
| O25 | C24 | N23 | 122.6° | 126.1° |
| C24 | N23 | C21 | 114.7° | 121.2° |
| C24 | N23 | H17 | 122.6° | 119.4° |
| N23 | C21 | O22 | 121.0° | 123.1° |
| C21 | N23 | H17 | 122.7° | 119.4° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.4° | 109.4° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C05 | C06 | H7 | 180.0° | 180.0° |
| C05 | C04 | C03 | H6 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.1° | 0.0° |
| C05 | C04 | C03 | O02 | 179.9° | 180.0° |
| C05 | C04 | C03 | C08 | 0.4° | 0.3° |
| C04 | C05 | C06 | H8 | 179.9° | 179.9° |
| C06 | C05 | C04 | C03 | 0.1° | 0.0° |
| C05 | C06 | C07 | H8 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.2° | 0.3° |
| C05 | C06 | C07 | C09 | 179.8° | 179.9° |
| C06 | C05 | C04 | H6 | 179.9° | 180.0° |
| C04 | C03 | O02 | C01 | 20.9° | 0.2° |
| C04 | C03 | O02 | C08 | 179.7° | 179.7° |
| C04 | C03 | C08 | C07 | 0.7° | 0.6° |
| C03 | C04 | C05 | H7 | 179.9° | 180.0° |
| C04 | C03 | C08 | H9 | 179.3° | 179.7° |
| C06 | C07 | C08 | C03 | 0.7° | 0.6° |
| C06 | C07 | C08 | C09 | 180.0° | 179.8° |
| C06 | C07 | C09 | O10 | 177.6° | 180.0° |
| C06 | C07 | C09 | C11 | 56.1° | 0.0° |
| C07 | C06 | C05 | H7 | 179.8° | 180.0° |
| C06 | C07 | C08 | H9 | 179.4° | 179.7° |
| C01 | O02 | C03 | C08 | 158.8° | 180.0° |
| O02 | C01 | H3 | H4 | 120.0° | 120.0° |
| O02 | C01 | H3 | H5 | 120.0° | 120.0° |
| O02 | C01 | H4 | H5 | 120.0° | 120.0° |
| O02 | C03 | C08 | C07 | 179.6° | 179.7° |
| C03 | O02 | C01 | H3 | 180.0° | 59.9° |
| C03 | O02 | C01 | H4 | 60.0° | 60.1° |
| C03 | O02 | C01 | H5 | 60.0° | 180.0° |
| O02 | C03 | C04 | H6 | 0.1° | 0.0° |
| O02 | C03 | C08 | H9 | 0.4° | 0.0° |
| C03 | C08 | C07 | H9 | 180.0° | 179.7° |
| C03 | C08 | C07 | C09 | 179.3° | 179.7° |
| C08 | C03 | C04 | H6 | 179.6° | 179.7° |
| C08 | C07 | C09 | O10 | 2.5° | 0.2° |
| C08 | C07 | C09 | C11 | 123.9° | 179.7° |
| C08 | C07 | C06 | H8 | 179.8° | 179.8° |
| C07 | C09 | O10 | C11 | 120.2° | 180.0° |
| C07 | C09 | C11 | O12 | 160.6° | 180.0° |
| C09 | C07 | C06 | H8 | 0.2° | 0.0° |
| C09 | C07 | C08 | H9 | 0.7° | 0.1° |
| C07 | C09 | C11 | H11 | 79.9° | 60.0° |
| C07 | C09 | C11 | H12 | 41.1° | 60.0° |
| O10 | C09 | C11 | O12 | 39.0° | 0.0° |
| O10 | C09 | C11 | H11 | 158.5° | 120.0° |
| O10 | C09 | C11 | H12 | 80.5° | 120.0° |
| C09 | C11 | O12 | H11 | 119.5° | 120.0° |
| C09 | C11 | O12 | H12 | 119.5° | 119.9° |
| C09 | C11 | O12 | C13 | 125.5° | 180.0° |
| C09 | C11 | H11 | H12 | 121.4° | 120.0° |
| C11 | O12 | C13 | C18 | 72.8° | 180.0° |
| C11 | O12 | C13 | C14 | 108.7° | 0.4° |
| O12 | C11 | H11 | H12 | 121.5° | 120.0° |
| O12 | C13 | C18 | C14 | 178.4° | 179.6° |
| O12 | C13 | C18 | C17 | 178.8° | 179.7° |
| O12 | C13 | C14 | C15 | 178.9° | 179.7° |
| C13 | O12 | C11 | H11 | 115.0° | 60.0° |
| C13 | O12 | C11 | H12 | 6.0° | 60.1° |
| O12 | C13 | C14 | H13 | 1.1° | 0.4° |
| O12 | C13 | C18 | H14 | 1.2° | 0.3° |
| C13 | C18 | C17 | H14 | 180.0° | 180.0° |
| C18 | C13 | C14 | C15 | 0.5° | 0.1° |
| C13 | C18 | C17 | C16 | 0.7° | 0.0° |
| C13 | C18 | C17 | H2 | 179.3° | 180.0° |
| C18 | C13 | C14 | H13 | 179.5° | 180.0° |
| C14 | C13 | C18 | C17 | 0.4° | 0.0° |
| C13 | C14 | C15 | H13 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.6° | 0.1° |
| C13 | C14 | C15 | H1 | 179.4° | 179.9° |
| C14 | C13 | C18 | H14 | 179.6° | 179.9° |
| C18 | C17 | C16 | H2 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 1.8° | 0.0° |
| C18 | C17 | C16 | C19 | 178.7° | 180.0° |
| C14 | C15 | C16 | C17 | 1.7° | 0.0° |
| C14 | C15 | C16 | H1 | 180.0° | 180.0° |
| C14 | C15 | C16 | C19 | 178.8° | 180.0° |
| C17 | C16 | C15 | C19 | 177.1° | 180.0° |
| C17 | C16 | C19 | C20 | 56.5° | 90.0° |
| C17 | C16 | C15 | H1 | 178.2° | 180.0° |
| C16 | C17 | C18 | H14 | 179.3° | 180.0° |
| C17 | C16 | C19 | H15 | 178.1° | 150.0° |
| C17 | C16 | C19 | H16 | 65.2° | 30.0° |
| C15 | C16 | C19 | C20 | 126.5° | 90.0° |
| C15 | C16 | C17 | H2 | 178.2° | 180.0° |
| C16 | C15 | C14 | H13 | 179.4° | 180.0° |
| C15 | C16 | C19 | H15 | 4.8° | 30.0° |
| C15 | C16 | C19 | H16 | 111.8° | 150.0° |
| C16 | C19 | C20 | H15 | 121.7° | 120.0° |
| C16 | C19 | C20 | H16 | 121.7° | 120.0° |
| C16 | C19 | C20 | S26 | 0.5° | 71.3° |
| C16 | C19 | C20 | C21 | 178.6° | 175.0° |
| C19 | C16 | C15 | H1 | 1.2° | 0.0° |
| C19 | C16 | C17 | H2 | 1.3° | 0.0° |
| C16 | C19 | H15 | H16 | 114.5° | 120.0° |
| C16 | C19 | C20 | H19 | 91.0° | 52.0° |
| C19 | C20 | S26 | C21 | 179.3° | 118.5° |
| C19 | C20 | S26 | H19 | 90.5° | 123.2° |
| C19 | C20 | S26 | C24 | 179.1° | 118.5° |
| C19 | C20 | C21 | H19 | 90.4° | 123.0° |
| C19 | C20 | C21 | N23 | 178.9° | 118.6° |
| C19 | C20 | C21 | O22 | 0.6° | 61.4° |
| C20 | C19 | H15 | H16 | 114.5° | 120.0° |
| S26 | C20 | C21 | H19 | 90.3° | 118.4° |
| C20 | S26 | C24 | O25 | 179.2° | 180.0° |
| C20 | S26 | C24 | N23 | 0.2° | 0.0° |
| S26 | C20 | C21 | N23 | 0.5° | 0.0° |
| S26 | C20 | C21 | O22 | 179.9° | 180.0° |
| S26 | C20 | C19 | H15 | 121.2° | 48.7° |
| S26 | C20 | C19 | H16 | 122.2° | 168.7° |
| C24 | S26 | C20 | C21 | 0.1° | 0.0° |
| S26 | C24 | O25 | N23 | 179.3° | 179.9° |
| S26 | C24 | N23 | C21 | 0.5° | 0.0° |
| S26 | C24 | N23 | H17 | 179.5° | 180.0° |
| C24 | S26 | C20 | H19 | 90.4° | 118.3° |
| C20 | C21 | N23 | C24 | 0.7° | 0.0° |
| C20 | C21 | N23 | O22 | 179.5° | 180.0° |
| C21 | C20 | C19 | H15 | 59.7° | 65.0° |
| C21 | C20 | C19 | H16 | 57.0° | 55.0° |
| C20 | C21 | N23 | H17 | 179.3° | 180.0° |
| O25 | C24 | N23 | C21 | 178.9° | 180.0° |
| O25 | C24 | N23 | H17 | 1.1° | 0.1° |
| C24 | N23 | C21 | H17 | 180.0° | 179.9° |
| C24 | N23 | C21 | O22 | 179.8° | 180.0° |
| N23 | C21 | C20 | H19 | 90.7° | 118.4° |
| O22 | C21 | N23 | H17 | 0.2° | 0.0° |
| O22 | C21 | C20 | H19 | 89.8° | 61.6° |
| H1 | C15 | C14 | H13 | 0.6° | 0.1° |
| H2 | C17 | C18 | H14 | 0.7° | 0.0° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H6 | C04 | C05 | H7 | 0.1° | 0.0° |
| H7 | C05 | C06 | H8 | 0.2° | 0.1° |
| H15 | C19 | C20 | H19 | 30.7° | 172.0° |
| H16 | C19 | C20 | H19 | 147.3° | 68.1° |
