GOB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | O2 | sing | 1.36Å | 1.37Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| O34 | C5 | sing | 1.36Å | 1.38Å | |
| S17 | C6 | sing | 1.76Å | 1.78Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | N9 | sing | 1.40Å | 1.40Å | |
| N9 | C10 | sing | 1.35Å | 1.35Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| O11 | C10 | doub | 1.21Å | 1.22Å | |
| C10 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | O15 | doub | 1.21Å | 1.22Å | |
| C14 | O16 | sing | 1.34Å | 1.32Å | |
| O16 | HO16 | sing | 0.97Å | 0.95Å | |
| O18 | S17 | doub | 1.42Å | 1.40Å | |
| N20 | S17 | sing | 1.66Å | 1.68Å | |
| S17 | O19 | doub | 1.42Å | 1.41Å | |
| C27 | N20 | sing | 1.40Å | 1.41Å | |
| N20 | C21 | sing | 1.40Å | 1.42Å | |
| C22 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| N33 | C30 | sing | 1.40Å | 1.39Å | |
| C30 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| N33 | HN33 | sing | 0.97Å | 1.00Å | |
| N33 | HN3A | sing | 0.97Å | 1.00Å | |
| C35 | O34 | sing | 1.43Å | 1.44Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H1A | 109.5° | 109.5° |
| O2 | C1 | H1B | 109.4° | 109.5° |
| C1 | O2 | C3 | 114.8° | 117.0° |
| H1 | C1 | H1A | 109.5° | 109.4° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| O2 | C3 | C4 | 122.7° | 120.1° |
| O2 | C3 | C8 | 117.3° | 120.0° |
| C4 | C3 | C8 | 120.0° | 119.9° |
| C3 | C4 | C5 | 119.5° | 120.0° |
| C3 | C4 | H4 | 120.2° | 120.0° |
| C3 | C8 | C7 | 120.8° | 119.9° |
| C3 | C8 | N9 | 115.9° | 120.1° |
| C5 | C4 | H4 | 120.2° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.1° |
| C4 | C5 | O34 | 121.7° | 119.9° |
| C6 | C5 | O34 | 118.1° | 120.0° |
| C5 | C6 | S17 | 121.4° | 120.0° |
| C5 | C6 | C7 | 120.5° | 120.1° |
| C5 | O34 | C35 | 116.2° | 117.0° |
| S17 | C6 | C7 | 118.1° | 119.9° |
| C6 | S17 | O18 | 108.7° | 106.4° |
| C6 | S17 | N20 | 100.9° | 107.2° |
| C6 | S17 | O19 | 103.5° | 106.4° |
| C6 | C7 | C8 | 119.1° | 120.1° |
| C6 | C7 | H7 | 120.5° | 120.0° |
| C8 | C7 | H7 | 120.5° | 120.0° |
| C7 | C8 | N9 | 123.3° | 120.0° |
| C8 | N9 | C10 | 129.5° | 120.0° |
| C8 | N9 | HN9 | 115.3° | 120.0° |
| C10 | N9 | HN9 | 115.3° | 120.0° |
| N9 | C10 | O11 | 123.9° | 120.0° |
| N9 | C10 | C12 | 113.6° | 120.0° |
| O11 | C10 | C12 | 122.5° | 120.0° |
| C10 | C12 | C13 | 112.7° | 109.5° |
| C10 | C12 | H12 | 108.4° | 109.5° |
| C10 | C12 | H12A | 108.4° | 109.5° |
| C13 | C12 | H12 | 108.4° | 109.5° |
| C13 | C12 | H12A | 108.4° | 109.4° |
| C12 | C13 | C14 | 104.2° | 109.5° |
| C12 | C13 | H13 | 111.2° | 109.5° |
| C12 | C13 | H13A | 111.2° | 109.4° |
| H12 | C12 | H12A | 110.5° | 109.5° |
| C14 | C13 | H13 | 111.2° | 109.5° |
| C14 | C13 | H13A | 111.3° | 109.5° |
| C13 | C14 | O15 | 122.2° | 120.0° |
| C13 | C14 | O16 | 118.1° | 120.0° |
| H13 | C13 | H13A | 107.7° | 109.4° |
| O15 | C14 | O16 | 119.7° | 120.0° |
| C14 | O16 | HO16 | 109.5° | 117.0° |
| O18 | S17 | N20 | 109.6° | 106.4° |
| O18 | S17 | O19 | 124.9° | 123.2° |
| N20 | S17 | O19 | 106.4° | 106.4° |
| S17 | N20 | C27 | 116.6° | 120.0° |
| S17 | N20 | C21 | 120.9° | 120.0° |
| C27 | N20 | C21 | 122.5° | 120.0° |
| N20 | C27 | C28 | 119.6° | 120.0° |
| N20 | C27 | C32 | 120.5° | 120.0° |
| N20 | C21 | C22 | 119.8° | 120.1° |
| N20 | C21 | C26 | 120.8° | 120.1° |
| C22 | C21 | C26 | 119.4° | 119.9° |
| C21 | C22 | C23 | 120.2° | 119.9° |
| C21 | C22 | H22 | 119.9° | 120.1° |
| C21 | C26 | C25 | 120.3° | 119.9° |
| C21 | C26 | H26 | 119.9° | 120.1° |
| C23 | C22 | H22 | 119.9° | 120.0° |
| C22 | C23 | C24 | 119.8° | 120.0° |
| C22 | C23 | H23 | 120.1° | 120.0° |
| C24 | C23 | H23 | 120.1° | 120.0° |
| C23 | C24 | C25 | 120.6° | 120.2° |
| C23 | C24 | H24 | 119.7° | 119.9° |
| C25 | C24 | H24 | 119.7° | 119.9° |
| C24 | C25 | C26 | 119.7° | 120.1° |
| C24 | C25 | H25 | 120.1° | 120.0° |
| C26 | C25 | H25 | 120.1° | 119.9° |
| C25 | C26 | H26 | 119.8° | 120.0° |
| C28 | C27 | C32 | 119.9° | 120.0° |
| C27 | C28 | C29 | 119.9° | 120.0° |
| C27 | C28 | H28 | 120.1° | 120.0° |
| C27 | C32 | C31 | 120.3° | 120.0° |
| C27 | C32 | H32 | 119.9° | 120.0° |
| C29 | C28 | H28 | 120.1° | 120.0° |
| C28 | C29 | C30 | 119.9° | 120.0° |
| C28 | C29 | H29 | 120.1° | 120.0° |
| C30 | C29 | H29 | 120.0° | 120.0° |
| C29 | C30 | N33 | 119.3° | 120.0° |
| C29 | C30 | C31 | 120.7° | 120.0° |
| N33 | C30 | C31 | 120.0° | 120.0° |
| C30 | N33 | HN33 | 109.5° | 120.0° |
| C30 | N33 | HN3A | 109.4° | 119.9° |
| C30 | C31 | C32 | 119.3° | 120.0° |
| C30 | C31 | H31 | 120.4° | 120.0° |
| C32 | C31 | H31 | 120.3° | 120.0° |
| C31 | C32 | H32 | 119.8° | 120.0° |
| HN33 | N33 | HN3A | 109.5° | 120.1° |
| O34 | C35 | H35 | 109.5° | 109.5° |
| O34 | C35 | H35A | 109.5° | 109.5° |
| O34 | C35 | H35B | 109.5° | 109.5° |
| H35 | C35 | H35A | 109.4° | 109.5° |
| H35 | C35 | H35B | 109.5° | 109.4° |
| H35A | C35 | H35B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | H1 | H1A | 120.0° | 120.0° |
| O2 | C1 | H1 | H1B | 120.0° | 120.0° |
| O2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | O2 | C3 | C4 | 4.5° | 0.0° |
| C1 | O2 | C3 | C8 | 174.7° | 179.7° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | O2 | C3 | 180.0° | 60.0° |
| H1A | C1 | O2 | C3 | 60.0° | 60.0° |
| H1B | C1 | O2 | C3 | 60.0° | 180.0° |
| O2 | C3 | C4 | C8 | 179.2° | 179.7° |
| O2 | C3 | C4 | C5 | 180.0° | 179.9° |
| O2 | C3 | C4 | H4 | 0.0° | 0.0° |
| O2 | C3 | C8 | C7 | 179.3° | 179.8° |
| O2 | C3 | C8 | N9 | 0.8° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.4° | 0.0° |
| C3 | C4 | C5 | O34 | 179.8° | 180.0° |
| C4 | C3 | C8 | C7 | 0.0° | 0.5° |
| C4 | C3 | C8 | N9 | 178.5° | 179.7° |
| C8 | C3 | C4 | C5 | 0.8° | 0.2° |
| C8 | C3 | C4 | H4 | 179.2° | 179.7° |
| C3 | C8 | C7 | C6 | 0.1° | 0.5° |
| C3 | C8 | C7 | N9 | 178.4° | 179.7° |
| C3 | C8 | C7 | H7 | 179.8° | 179.7° |
| C3 | C8 | N9 | C10 | 165.9° | 148.6° |
| C3 | C8 | N9 | HN9 | 14.1° | 31.3° |
| C4 | C5 | C6 | O34 | 178.8° | 179.9° |
| C4 | C5 | C6 | S17 | 178.8° | 180.0° |
| C4 | C5 | C6 | C7 | 1.3° | 0.0° |
| C4 | C5 | O34 | C35 | 5.8° | 0.0° |
| H4 | C4 | C5 | C6 | 178.6° | 180.0° |
| H4 | C4 | C5 | O34 | 0.2° | 0.0° |
| C5 | C6 | S17 | C7 | 177.6° | 180.0° |
| C5 | C6 | C7 | C8 | 0.5° | 0.3° |
| C5 | C6 | C7 | H7 | 179.6° | 180.0° |
| C5 | C6 | S17 | O18 | 56.7° | 49.0° |
| C5 | C6 | S17 | N20 | 58.6° | 64.5° |
| C5 | C6 | S17 | O19 | 168.6° | 178.1° |
| C6 | C5 | O34 | C35 | 175.4° | 179.9° |
| O34 | C5 | C6 | S17 | 2.4° | 0.1° |
| O34 | C5 | C6 | C7 | 179.9° | 180.0° |
| C5 | O34 | C35 | H35 | 180.0° | 180.0° |
| C5 | O34 | C35 | H35A | 60.0° | 60.0° |
| C5 | O34 | C35 | H35B | 60.0° | 60.0° |
| S17 | C6 | C7 | C8 | 178.1° | 179.7° |
| S17 | C6 | C7 | H7 | 1.9° | 0.0° |
| C6 | S17 | O18 | N20 | 109.5° | 114.0° |
| C6 | S17 | O18 | O19 | 122.6° | 123.0° |
| C6 | S17 | N20 | O19 | 107.8° | 113.5° |
| C6 | S17 | N20 | C27 | 139.5° | 112.7° |
| C6 | S17 | N20 | C21 | 38.7° | 67.4° |
| C6 | C7 | C8 | H7 | 180.0° | 179.7° |
| C6 | C7 | C8 | N9 | 178.5° | 179.7° |
| C7 | C6 | S17 | O18 | 125.7° | 131.0° |
| C7 | C6 | S17 | N20 | 119.0° | 115.5° |
| C7 | C6 | S17 | O19 | 9.0° | 2.0° |
| C7 | C8 | N9 | C10 | 12.5° | 31.7° |
| C7 | C8 | N9 | HN9 | 167.5° | 148.4° |
| H7 | C7 | C8 | N9 | 1.5° | 0.0° |
| C8 | N9 | C10 | HN9 | 180.0° | 179.9° |
| C8 | N9 | C10 | O11 | 2.0° | 4.6° |
| C8 | N9 | C10 | C12 | 177.2° | 175.4° |
| N9 | C10 | O11 | C12 | 179.2° | 180.0° |
| N9 | C10 | C12 | C13 | 141.5° | 180.0° |
| N9 | C10 | C12 | H12 | 21.5° | 60.0° |
| N9 | C10 | C12 | H12A | 98.5° | 60.0° |
| HN9 | N9 | C10 | O11 | 178.0° | 175.4° |
| HN9 | N9 | C10 | C12 | 2.8° | 4.7° |
| O11 | C10 | C12 | C13 | 39.2° | 0.0° |
| O11 | C10 | C12 | H12 | 159.2° | 120.0° |
| O11 | C10 | C12 | H12A | 80.8° | 120.0° |
| C10 | C12 | C13 | H12 | 120.0° | 120.0° |
| C10 | C12 | C13 | H12A | 120.0° | 120.0° |
| C10 | C12 | H12 | H12A | 118.7° | 120.1° |
| C10 | C12 | C13 | C14 | 177.2° | 180.0° |
| C10 | C12 | C13 | H13 | 57.2° | 60.0° |
| C10 | C12 | C13 | H13A | 62.8° | 60.0° |
| C13 | C12 | H12 | H12A | 118.7° | 119.9° |
| C12 | C13 | C14 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | H13A | 120.0° | 120.0° |
| C12 | C13 | H13 | H13A | 122.1° | 119.9° |
| C12 | C13 | C14 | O15 | 73.6° | 0.0° |
| C12 | C13 | C14 | O16 | 106.6° | 180.0° |
| H12 | C12 | C13 | C14 | 62.8° | 59.9° |
| H12 | C12 | C13 | H13 | 177.2° | 180.0° |
| H12 | C12 | C13 | H13A | 57.2° | 60.1° |
| H12A | C12 | C13 | C14 | 57.2° | 60.0° |
| H12A | C12 | C13 | H13 | 62.8° | 60.1° |
| H12A | C12 | C13 | H13A | 177.2° | 180.0° |
| C14 | C13 | H13 | H13A | 122.1° | 120.0° |
| C13 | C14 | O15 | O16 | 179.8° | 180.0° |
| C13 | C14 | O16 | HO16 | 179.8° | 180.0° |
| H13 | C13 | C14 | O15 | 46.4° | 120.0° |
| H13 | C13 | C14 | O16 | 133.5° | 60.0° |
| H13A | C13 | C14 | O15 | 166.4° | 120.0° |
| H13A | C13 | C14 | O16 | 13.4° | 60.0° |
| O15 | C14 | O16 | HO16 | 0.0° | 0.0° |
| O18 | S17 | N20 | O19 | 137.6° | 133.0° |
| O18 | S17 | N20 | C27 | 25.0° | 0.8° |
| O18 | S17 | N20 | C21 | 153.3° | 179.1° |
| S17 | N20 | C27 | C21 | 178.2° | 179.9° |
| S17 | N20 | C21 | C22 | 117.1° | 27.0° |
| S17 | N20 | C21 | C26 | 62.2° | 152.6° |
| S17 | N20 | C27 | C28 | 92.2° | 152.3° |
| S17 | N20 | C27 | C32 | 85.8° | 28.0° |
| O19 | S17 | N20 | C27 | 112.7° | 133.7° |
| O19 | S17 | N20 | C21 | 69.1° | 46.2° |
| C27 | N20 | C21 | C22 | 61.0° | 152.9° |
| C27 | N20 | C21 | C26 | 119.6° | 27.5° |
| N20 | C27 | C28 | C32 | 178.0° | 179.7° |
| N20 | C27 | C28 | C29 | 178.7° | 179.9° |
| N20 | C27 | C28 | H28 | 1.3° | 0.1° |
| N20 | C27 | C32 | C31 | 178.3° | 179.8° |
| N20 | C27 | C32 | H32 | 1.7° | 0.4° |
| N20 | C21 | C22 | C26 | 179.4° | 179.6° |
| N20 | C21 | C22 | C23 | 178.9° | 179.9° |
| N20 | C21 | C22 | H22 | 1.1° | 0.1° |
| N20 | C21 | C26 | C25 | 178.3° | 179.7° |
| N20 | C21 | C26 | H26 | 1.7° | 0.1° |
| C21 | N20 | C27 | C28 | 89.6° | 27.6° |
| C21 | N20 | C27 | C32 | 92.4° | 152.1° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.1° |
| C21 | C22 | C23 | H23 | 179.8° | 180.0° |
| C22 | C21 | C26 | C25 | 1.1° | 0.6° |
| C22 | C21 | C26 | H26 | 178.9° | 179.7° |
| C26 | C21 | C22 | C23 | 0.5° | 0.3° |
| C26 | C21 | C22 | H22 | 179.5° | 179.7° |
| C21 | C26 | C25 | C24 | 1.4° | 0.6° |
| C21 | C26 | C25 | H26 | 180.0° | 179.7° |
| C21 | C26 | C25 | H25 | 178.6° | 179.6° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.4° | 0.1° |
| C22 | C23 | C24 | H24 | 179.6° | 180.0° |
| H22 | C22 | C23 | C24 | 179.8° | 179.9° |
| H22 | C22 | C23 | H23 | 0.2° | 0.1° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 1.0° | 0.3° |
| C23 | C24 | C25 | H25 | 179.0° | 180.0° |
| H23 | C23 | C24 | C25 | 179.6° | 180.0° |
| H23 | C23 | C24 | H24 | 0.4° | 0.1° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C24 | C25 | C26 | H26 | 178.7° | 179.7° |
| H24 | C24 | C25 | C26 | 179.0° | 179.7° |
| H24 | C24 | C25 | H25 | 1.0° | 0.1° |
| H25 | C25 | C26 | H26 | 1.3° | 0.1° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.5° | 0.0° |
| C27 | C28 | C29 | H29 | 179.5° | 180.0° |
| C28 | C27 | C32 | C31 | 0.3° | 0.6° |
| C28 | C27 | C32 | H32 | 179.7° | 180.0° |
| C32 | C27 | C28 | C29 | 0.7° | 0.3° |
| C32 | C27 | C28 | H28 | 179.3° | 179.7° |
| C27 | C32 | C31 | C30 | 0.3° | 0.6° |
| C27 | C32 | C31 | H32 | 180.0° | 179.4° |
| C27 | C32 | C31 | H31 | 179.7° | 179.7° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | N33 | 179.6° | 179.9° |
| C28 | C29 | C30 | C31 | 0.1° | 0.0° |
| H28 | C28 | C29 | C30 | 179.5° | 180.0° |
| H28 | C28 | C29 | H29 | 0.5° | 0.0° |
| C29 | C30 | N33 | C31 | 179.5° | 179.9° |
| C29 | C30 | C31 | C32 | 0.5° | 0.3° |
| C29 | C30 | C31 | H31 | 179.5° | 180.0° |
| C29 | C30 | N33 | HN33 | 180.0° | 0.1° |
| C29 | C30 | N33 | HN3A | 60.0° | 180.0° |
| H29 | C29 | C30 | N33 | 0.4° | 0.0° |
| H29 | C29 | C30 | C31 | 179.9° | 179.9° |
| N33 | C30 | C31 | C32 | 180.0° | 179.8° |
| N33 | C30 | C31 | H31 | 0.0° | 0.1° |
| C30 | N33 | HN33 | HN3A | 120.0° | 179.9° |
| C30 | C31 | C32 | H31 | 180.0° | 179.7° |
| C30 | C31 | C32 | H32 | 179.7° | 180.0° |
| C31 | C30 | N33 | HN33 | 0.5° | 180.0° |
| C31 | C30 | N33 | HN3A | 120.5° | 0.1° |
| H31 | C31 | C32 | H32 | 0.3° | 0.3° |
| O34 | C35 | H35 | H35A | 120.0° | 120.0° |
| O34 | C35 | H35 | H35B | 120.0° | 120.0° |
| O34 | C35 | H35A | H35B | 120.0° | 120.0° |
| H35 | C35 | H35A | H35B | 120.0° | 119.9° |
