QEG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | N9 | sing | 1.35Å | 1.33Å | |
| C1 | O9 | doub | 1.21Å | 1.22Å | |
| N1 | C2 | sing | 1.46Å | 1.46Å | |
| N1 | C6 | sing | 1.35Å | 1.33Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| O1 | C6 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | C7 | sing | 1.46Å | 1.46Å | |
| N2 | C11 | sing | 1.35Å | 1.33Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O2 | C11 | doub | 1.21Å | 1.22Å | |
| C3 | C4 | sing | 1.53Å | 1.33Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.51Å | 1.48Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| N4 | C10 | sing | 1.35Å | 1.33Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N4 | HN4A | sing | 0.97Å | 1.00Å | |
| C5 | O8 | sing | 1.34Å | 1.25Å | |
| C5 | O8E | doub | 1.21Å | 1.25Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| S7 | C18 | sing | 1.76Å | 1.72Å | Aromatic |
| S7 | C29 | sing | 1.76Å | 1.72Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| N9 | HN9A | sing | 0.97Å | 1.00Å | |
| C10 | O4E | doub | 1.21Å | 1.22Å | |
| C11 | 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 | C27 | sing | 1.51Å | 1.51Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C18 | sing | 1.48Å | 1.50Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | doub | 1.35Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.48Å | 1.49Å | |
| C20 | C29 | doub | 1.35Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | 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 | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C3 | H30 | sing | 1.09Å | 1.10Å | |
| C4 | H31 | sing | 1.09Å | 1.10Å | |
| O8 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N9 | 116.4° | 120.0° |
| C2 | C1 | O9 | 121.1° | 120.0° |
| C1 | C2 | N1 | 111.7° | 109.5° |
| C1 | C2 | C3 | 110.9° | 109.5° |
| C1 | C2 | H2 | 108.6° | 109.4° |
| N9 | C1 | O9 | 122.5° | 120.0° |
| C1 | N9 | HN9 | 120.0° | 120.0° |
| C1 | N9 | HN9A | 120.0° | 120.0° |
| C2 | N1 | C6 | 119.4° | 120.0° |
| C2 | N1 | HN1 | 120.3° | 120.0° |
| N1 | C2 | C3 | 113.9° | 109.5° |
| N1 | C2 | H2 | 105.2° | 109.5° |
| C6 | N1 | HN1 | 120.3° | 120.0° |
| N1 | C6 | O1 | 121.7° | 120.0° |
| N1 | C6 | C7 | 118.3° | 120.0° |
| O1 | C6 | C7 | 120.0° | 120.0° |
| C3 | C2 | H2 | 106.2° | 109.5° |
| C2 | C3 | C4 | 118.3° | 109.5° |
| C2 | C3 | H3 | 106.6° | 109.4° |
| C2 | C3 | H30 | 106.6° | 109.5° |
| C7 | N2 | C11 | 123.5° | 120.0° |
| C7 | N2 | HN2 | 118.3° | 120.0° |
| N2 | C7 | C6 | 110.1° | 109.5° |
| N2 | C7 | C8 | 105.5° | 109.5° |
| N2 | C7 | H7 | 112.3° | 109.5° |
| C11 | N2 | HN2 | 118.3° | 120.0° |
| N2 | C11 | O2 | 123.5° | 120.0° |
| N2 | C11 | C12 | 116.1° | 120.0° |
| O2 | C11 | C12 | 120.4° | 120.0° |
| C4 | C3 | H3 | 106.6° | 109.5° |
| C3 | C4 | C5 | 124.3° | 109.5° |
| C3 | C4 | H4 | 104.8° | 109.5° |
| C4 | C3 | H30 | 106.6° | 109.5° |
| C3 | C4 | H31 | 104.8° | 109.5° |
| H3 | C3 | H30 | 112.2° | 109.5° |
| C5 | C4 | H4 | 104.8° | 109.5° |
| C4 | C5 | O8 | 121.2° | 120.0° |
| C4 | C5 | O8E | 118.2° | 120.0° |
| C5 | C4 | H31 | 104.8° | 109.5° |
| H4 | C4 | H31 | 113.7° | 109.5° |
| C10 | N4 | HN4 | 120.0° | 120.0° |
| C10 | N4 | HN4A | 120.0° | 120.1° |
| N4 | C10 | C9 | 116.4° | 120.0° |
| N4 | C10 | O4E | 122.0° | 119.9° |
| HN4 | N4 | HN4A | 120.0° | 120.0° |
| O8 | C5 | O8E | 120.6° | 120.0° |
| C5 | O8 | H32 | 109.5° | 116.9° |
| C6 | C7 | C8 | 111.2° | 109.4° |
| C6 | C7 | H7 | 106.6° | 109.5° |
| C8 | C7 | H7 | 111.1° | 109.5° |
| C7 | C8 | C9 | 111.5° | 109.5° |
| C7 | C8 | H8 | 108.8° | 109.4° |
| C7 | C8 | H8A | 108.8° | 109.5° |
| C18 | S7 | C29 | 96.3° | 91.2° |
| S7 | C18 | C16 | 114.3° | 125.1° |
| S7 | C18 | C19 | 108.1° | 109.8° |
| S7 | C29 | C20 | 107.1° | 109.7° |
| S7 | C29 | H29 | 126.4° | 125.1° |
| C9 | C8 | H8 | 108.8° | 109.4° |
| C9 | C8 | H8A | 108.8° | 109.5° |
| C8 | C9 | C10 | 112.7° | 109.5° |
| C8 | C9 | H9 | 108.4° | 109.5° |
| C8 | C9 | H9A | 108.4° | 109.5° |
| H8 | C8 | H8A | 110.2° | 109.5° |
| C10 | C9 | H9 | 108.4° | 109.4° |
| C10 | C9 | H9A | 108.4° | 109.5° |
| C9 | C10 | O4E | 121.6° | 120.0° |
| H9 | C9 | H9A | 110.5° | 109.4° |
| HN9 | N9 | HN9A | 120.0° | 119.9° |
| C11 | C12 | C13 | 112.0° | 109.5° |
| C11 | C12 | H12 | 108.6° | 109.4° |
| C11 | C12 | H12A | 108.6° | 109.5° |
| C13 | C12 | H12 | 108.7° | 109.5° |
| C13 | C12 | H12A | 108.6° | 109.5° |
| C12 | C13 | C27 | 110.7° | 109.5° |
| C12 | C13 | H13 | 109.1° | 109.5° |
| C12 | C13 | H13A | 109.0° | 109.5° |
| H12 | C12 | H12A | 110.3° | 109.5° |
| C27 | C13 | H13 | 109.1° | 109.5° |
| C27 | C13 | H13A | 109.1° | 109.5° |
| C13 | C27 | C14 | 121.4° | 119.8° |
| C13 | C27 | C28 | 119.3° | 119.9° |
| H13 | C13 | H13A | 109.9° | 109.4° |
| C17 | C14 | C27 | 120.5° | 120.1° |
| C17 | C14 | H14 | 119.7° | 120.0° |
| C14 | C17 | C16 | 120.0° | 119.9° |
| C14 | C17 | H17 | 120.0° | 120.1° |
| C27 | C14 | H14 | 119.8° | 119.9° |
| C14 | C27 | C28 | 119.3° | 120.3° |
| C16 | C15 | C28 | 121.0° | 119.9° |
| C16 | C15 | H15 | 119.5° | 120.1° |
| C15 | C16 | C17 | 119.1° | 119.7° |
| C15 | C16 | C18 | 118.4° | 120.1° |
| C28 | C15 | H15 | 119.5° | 120.0° |
| C15 | C28 | C27 | 120.1° | 120.1° |
| C15 | C28 | H28 | 119.9° | 120.0° |
| C17 | C16 | C18 | 122.5° | 120.2° |
| C16 | C17 | H17 | 120.0° | 120.1° |
| C16 | C18 | C19 | 137.6° | 125.1° |
| C18 | C19 | C20 | 113.5° | 114.6° |
| C18 | C19 | H19 | 123.3° | 122.7° |
| C20 | C19 | H19 | 123.3° | 122.7° |
| C19 | C20 | C21 | 125.2° | 122.7° |
| C19 | C20 | C29 | 115.0° | 114.6° |
| C21 | C20 | C29 | 119.8° | 122.7° |
| C20 | C21 | C22 | 119.4° | 120.1° |
| C20 | C21 | C26 | 120.6° | 120.1° |
| C20 | C29 | H29 | 126.5° | 125.1° |
| C22 | C21 | C26 | 120.0° | 119.8° |
| C21 | C22 | C23 | 120.3° | 119.9° |
| C21 | C22 | H22 | 119.9° | 120.0° |
| C21 | C26 | C25 | 119.8° | 119.9° |
| C21 | C26 | H26 | 120.1° | 120.1° |
| C23 | C22 | H22 | 119.9° | 120.1° |
| C22 | C23 | C24 | 119.8° | 120.1° |
| C22 | C23 | H23 | 120.1° | 119.9° |
| C24 | C23 | H23 | 120.1° | 120.0° |
| C23 | C24 | C25 | 120.0° | 120.3° |
| C23 | C24 | H24 | 120.0° | 119.9° |
| C25 | C24 | H24 | 120.0° | 119.8° |
| C24 | C25 | C26 | 120.2° | 120.1° |
| C24 | C25 | H25 | 119.9° | 120.0° |
| C26 | C25 | H25 | 119.9° | 120.0° |
| C25 | C26 | H26 | 120.1° | 120.0° |
| C27 | C28 | H28 | 119.9° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N9 | O9 | 179.5° | 179.7° |
| C1 | C2 | N1 | C3 | 126.6° | 120.0° |
| C1 | C2 | N1 | H2 | 117.6° | 119.9° |
| C1 | C2 | N1 | C6 | 63.5° | 84.9° |
| C1 | C2 | N1 | HN1 | 116.6° | 95.0° |
| C1 | C2 | C3 | H2 | 117.8° | 120.0° |
| C1 | C2 | C3 | C4 | 99.4° | 175.0° |
| C1 | C2 | C3 | H3 | 140.6° | 65.0° |
| C2 | C1 | N9 | HN9 | 179.6° | 0.0° |
| C2 | C1 | N9 | HN9A | 0.5° | 180.0° |
| C1 | C2 | C3 | H30 | 20.6° | 55.0° |
| N9 | C1 | C2 | N1 | 140.8° | 180.0° |
| N9 | C1 | C2 | C3 | 91.0° | 60.0° |
| N9 | C1 | C2 | H2 | 25.3° | 60.0° |
| C1 | N9 | HN9 | HN9A | 180.0° | 179.9° |
| O9 | C1 | C2 | N1 | 38.7° | 0.3° |
| O9 | C1 | C2 | C3 | 89.5° | 119.7° |
| O9 | C1 | C2 | H2 | 154.3° | 120.3° |
| O9 | C1 | N9 | HN9 | 0.0° | 179.7° |
| O9 | C1 | N9 | HN9A | 180.0° | 0.3° |
| C2 | N1 | C6 | HN1 | 180.0° | 180.0° |
| C2 | N1 | C6 | O1 | 0.2° | 0.1° |
| N1 | C2 | C3 | H2 | 115.2° | 120.0° |
| N1 | C2 | C3 | C4 | 133.6° | 65.0° |
| N1 | C2 | C3 | H3 | 13.6° | 55.0° |
| C2 | N1 | C6 | C7 | 179.5° | 180.0° |
| N1 | C2 | C3 | H30 | 106.4° | 175.0° |
| N1 | C6 | O1 | C7 | 179.3° | 179.9° |
| C6 | N1 | C2 | C3 | 170.0° | 155.1° |
| C6 | N1 | C2 | H2 | 54.1° | 35.0° |
| N1 | C6 | C7 | N2 | 160.7° | 179.9° |
| N1 | C6 | C7 | C8 | 82.7° | 60.0° |
| N1 | C6 | C7 | H7 | 38.7° | 59.9° |
| HN1 | N1 | C6 | O1 | 179.8° | 179.9° |
| HN1 | N1 | C2 | C3 | 10.0° | 25.0° |
| HN1 | N1 | C2 | H2 | 125.8° | 145.0° |
| HN1 | N1 | C6 | C7 | 0.5° | 0.0° |
| O1 | C6 | C7 | N2 | 18.6° | 0.0° |
| O1 | C6 | C7 | C8 | 98.0° | 120.1° |
| O1 | C6 | C7 | H7 | 140.6° | 119.9° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H30 | 120.0° | 120.0° |
| C2 | C3 | H3 | H30 | 116.4° | 120.0° |
| C2 | C3 | C4 | C5 | 179.8° | 180.0° |
| C2 | C3 | C4 | H4 | 59.8° | 60.0° |
| C2 | C3 | C4 | H31 | 60.2° | 60.0° |
| H2 | C2 | C3 | C4 | 18.3° | 55.0° |
| H2 | C2 | C3 | H3 | 101.6° | 175.0° |
| H2 | C2 | C3 | H30 | 138.3° | 65.0° |
| C7 | N2 | C11 | HN2 | 180.0° | 180.0° |
| C7 | N2 | C11 | O2 | 0.6° | 0.0° |
| N2 | C7 | C6 | C8 | 116.6° | 120.0° |
| N2 | C7 | C6 | H7 | 122.1° | 120.0° |
| N2 | C7 | C8 | H7 | 121.9° | 120.0° |
| N2 | C7 | C8 | C9 | 122.8° | 65.0° |
| N2 | C7 | C8 | H8 | 2.8° | 55.0° |
| N2 | C7 | C8 | H8A | 117.2° | 175.0° |
| C7 | N2 | C11 | C12 | 180.0° | 180.0° |
| N2 | C11 | O2 | C12 | 179.3° | 180.0° |
| C11 | N2 | C7 | C6 | 124.8° | 155.0° |
| C11 | N2 | C7 | C8 | 115.1° | 85.0° |
| C11 | N2 | C7 | H7 | 6.2° | 35.0° |
| N2 | C11 | C12 | C13 | 117.3° | 180.0° |
| N2 | C11 | C12 | H12 | 2.7° | 60.0° |
| N2 | C11 | C12 | H12A | 122.7° | 59.9° |
| HN2 | N2 | C11 | O2 | 179.4° | 180.0° |
| HN2 | N2 | C7 | C6 | 55.2° | 25.0° |
| HN2 | N2 | C7 | C8 | 64.9° | 95.0° |
| HN2 | N2 | C7 | H7 | 173.8° | 145.0° |
| HN2 | N2 | C11 | C12 | 0.0° | 0.0° |
| O2 | C11 | C12 | C13 | 63.3° | 0.0° |
| O2 | C11 | C12 | H12 | 176.7° | 120.0° |
| O2 | C11 | C12 | H12A | 56.7° | 120.0° |
| C4 | C3 | H3 | H30 | 116.4° | 120.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H31 | 120.0° | 120.0° |
| C3 | C4 | H4 | H31 | 113.9° | 120.0° |
| C3 | C4 | C5 | O8 | 9.9° | 180.0° |
| C3 | C4 | C5 | O8E | 170.3° | 0.0° |
| H3 | C3 | C4 | C5 | 60.2° | 60.1° |
| H3 | C3 | C4 | H4 | 179.8° | 179.9° |
| H3 | C3 | C4 | H31 | 59.8° | 60.0° |
| C5 | C4 | H4 | H31 | 113.9° | 120.0° |
| C4 | C5 | O8 | O8E | 179.8° | 180.0° |
| C5 | C4 | C3 | H30 | 59.8° | 60.0° |
| C4 | C5 | O8 | H32 | 179.8° | 180.0° |
| H4 | C4 | C5 | O8 | 110.1° | 60.0° |
| H4 | C4 | C5 | O8E | 69.7° | 120.0° |
| H4 | C4 | C3 | H30 | 60.2° | 60.0° |
| C10 | N4 | HN4 | HN4A | 180.0° | 180.0° |
| N4 | C10 | C9 | C8 | 143.9° | 180.0° |
| N4 | C10 | C9 | O4E | 179.3° | 179.9° |
| N4 | C10 | C9 | H9 | 23.9° | 59.9° |
| N4 | C10 | C9 | H9A | 96.1° | 60.0° |
| HN4 | N4 | C10 | C9 | 179.3° | 0.0° |
| HN4 | N4 | C10 | O4E | 0.0° | 180.0° |
| HN4A | N4 | C10 | C9 | 0.8° | 180.0° |
| HN4A | N4 | C10 | O4E | 180.0° | 0.1° |
| O8 | C5 | C4 | H31 | 129.9° | 60.0° |
| O8E | C5 | C4 | H31 | 50.3° | 120.0° |
| O8E | C5 | O8 | H32 | 0.0° | 0.0° |
| C6 | C7 | C8 | H7 | 118.7° | 120.0° |
| C6 | C7 | C8 | C9 | 117.8° | 175.0° |
| C6 | C7 | C8 | H8 | 122.2° | 65.1° |
| C6 | C7 | C8 | H8A | 2.2° | 55.0° |
| C7 | C8 | C9 | H8 | 120.0° | 119.9° |
| C7 | C8 | C9 | H8A | 120.0° | 120.1° |
| C7 | C8 | H8 | H8A | 119.2° | 120.1° |
| C7 | C8 | C9 | C10 | 167.0° | 180.0° |
| C7 | C8 | C9 | H9 | 73.0° | 60.1° |
| C7 | C8 | C9 | H9A | 47.0° | 59.9° |
| H7 | C7 | C8 | C9 | 0.8° | 55.1° |
| H7 | C7 | C8 | H8 | 119.2° | 175.0° |
| H7 | C7 | C8 | H8A | 120.8° | 65.0° |
| S7 | C18 | C16 | C15 | 14.1° | 0.0° |
| S7 | C18 | C16 | C17 | 165.3° | 180.0° |
| S7 | C18 | C16 | C19 | 179.7° | 179.9° |
| S7 | C18 | C19 | C20 | 0.4° | 0.0° |
| S7 | C18 | C19 | H19 | 179.6° | 180.0° |
| C18 | S7 | C29 | C20 | 0.0° | 0.1° |
| C18 | S7 | C29 | H29 | 180.0° | 180.0° |
| C29 | S7 | C18 | C16 | 180.0° | 180.0° |
| C29 | S7 | C18 | C19 | 0.2° | 0.0° |
| S7 | C29 | C20 | C19 | 0.2° | 0.1° |
| S7 | C29 | C20 | C21 | 179.5° | 180.0° |
| S7 | C29 | C20 | H29 | 180.0° | 179.9° |
| C9 | C8 | H8 | H8A | 119.2° | 120.0° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9A | 118.6° | 120.0° |
| C8 | C9 | C10 | O4E | 36.8° | 0.0° |
| H8 | C8 | C9 | C10 | 47.0° | 60.0° |
| H8 | C8 | C9 | H9 | 167.0° | 180.0° |
| H8 | C8 | C9 | H9A | 73.0° | 60.0° |
| H8A | C8 | C9 | C10 | 73.0° | 60.0° |
| H8A | C8 | C9 | H9 | 47.0° | 60.0° |
| H8A | C8 | C9 | H9A | 167.0° | 180.0° |
| C10 | C9 | H9 | H9A | 118.7° | 120.0° |
| H9 | C9 | C10 | O4E | 156.8° | 120.0° |
| H9A | C9 | C10 | O4E | 83.2° | 120.1° |
| C11 | C12 | C13 | H12 | 120.0° | 119.9° |
| C11 | C12 | C13 | H12A | 120.0° | 120.0° |
| C11 | C12 | H12 | H12A | 119.0° | 120.0° |
| C11 | C12 | C13 | C27 | 110.6° | 180.0° |
| C11 | C12 | C13 | H13 | 129.4° | 60.0° |
| C11 | C12 | C13 | H13A | 9.4° | 60.0° |
| C13 | C12 | H12 | H12A | 118.9° | 120.1° |
| C12 | C13 | C27 | H13 | 120.0° | 120.0° |
| C12 | C13 | C27 | H13A | 120.0° | 120.0° |
| C12 | C13 | H13 | H13A | 119.5° | 120.0° |
| C12 | C13 | C27 | C14 | 27.7° | 90.0° |
| C12 | C13 | C27 | C28 | 152.2° | 90.0° |
| H12 | C12 | C13 | C27 | 9.4° | 60.0° |
| H12 | C12 | C13 | H13 | 110.6° | 179.9° |
| H12 | C12 | C13 | H13A | 129.4° | 60.0° |
| H12A | C12 | C13 | C27 | 129.4° | 60.0° |
| H12A | C12 | C13 | H13 | 9.4° | 60.0° |
| H12A | C12 | C13 | H13A | 110.6° | 180.0° |
| C27 | C13 | H13 | H13A | 119.5° | 120.0° |
| C13 | C27 | C14 | C17 | 179.9° | 180.0° |
| C13 | C27 | C14 | C28 | 179.9° | 179.9° |
| C13 | C27 | C14 | H14 | 0.1° | 0.2° |
| C13 | C27 | C28 | C15 | 179.9° | 180.0° |
| C13 | C27 | C28 | H28 | 0.1° | 0.0° |
| H13 | C13 | C27 | C14 | 92.3° | 30.0° |
| H13 | C13 | C27 | C28 | 87.8° | 149.9° |
| H13A | C13 | C27 | C14 | 147.7° | 150.0° |
| H13A | C13 | C27 | C28 | 32.3° | 30.0° |
| C17 | C14 | C27 | H14 | 180.0° | 179.8° |
| C14 | C17 | C16 | C15 | 0.3° | 0.0° |
| C14 | C17 | C16 | H17 | 180.0° | 180.0° |
| C14 | C17 | C16 | C18 | 179.7° | 179.9° |
| C17 | C14 | C27 | C28 | 0.0° | 0.1° |
| C14 | C27 | C28 | C15 | 0.0° | 0.1° |
| C27 | C14 | C17 | C16 | 0.2° | 0.0° |
| C27 | C14 | C17 | H17 | 179.9° | 180.0° |
| C14 | C27 | C28 | H28 | 180.0° | 180.0° |
| H14 | C14 | C17 | C16 | 179.8° | 179.7° |
| H14 | C14 | C17 | H17 | 0.1° | 0.2° |
| H14 | C14 | C27 | C28 | 180.0° | 179.7° |
| C16 | C15 | C28 | H15 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 179.4° | 179.9° |
| C15 | C16 | C17 | H17 | 179.7° | 179.9° |
| C15 | C16 | C18 | C19 | 166.2° | 180.0° |
| C16 | C15 | C28 | C27 | 0.2° | 0.0° |
| C16 | C15 | C28 | H28 | 179.8° | 180.0° |
| C28 | C15 | C16 | C17 | 0.3° | 0.0° |
| C28 | C15 | C16 | C18 | 179.7° | 179.9° |
| C15 | C28 | C27 | H28 | 180.0° | 180.0° |
| H15 | C15 | C16 | C17 | 179.7° | 180.0° |
| H15 | C15 | C16 | C18 | 0.3° | 0.1° |
| H15 | C15 | C28 | C27 | 179.8° | 180.0° |
| H15 | C15 | C28 | H28 | 0.2° | 0.0° |
| C17 | C16 | C18 | C19 | 14.4° | 0.1° |
| C18 | C16 | C17 | H17 | 0.3° | 0.0° |
| C16 | C18 | C19 | C20 | 179.9° | 180.0° |
| C16 | C18 | C19 | H19 | 0.1° | 0.1° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 179.6° | 180.0° |
| C18 | C19 | C20 | C29 | 0.4° | 0.0° |
| C19 | C20 | C21 | C29 | 179.2° | 179.9° |
| C19 | C20 | C21 | C22 | 134.7° | 180.0° |
| C19 | C20 | C21 | C26 | 46.7° | 0.4° |
| C19 | C20 | C29 | H29 | 179.8° | 180.0° |
| H19 | C19 | C20 | C21 | 0.4° | 0.0° |
| H19 | C19 | C20 | C29 | 179.6° | 180.0° |
| C20 | C21 | C22 | C26 | 178.6° | 179.7° |
| C20 | C21 | C22 | C23 | 179.5° | 179.9° |
| C20 | C21 | C22 | H22 | 0.6° | 0.1° |
| C20 | C21 | C26 | C25 | 179.4° | 179.8° |
| C20 | C21 | C26 | H26 | 0.6° | 0.1° |
| C21 | C20 | C29 | H29 | 0.5° | 0.1° |
| C29 | C20 | C21 | C22 | 46.1° | 0.0° |
| C29 | C20 | C21 | C26 | 132.5° | 179.7° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.5° | 0.0° |
| C21 | C22 | C23 | H23 | 179.5° | 180.0° |
| C22 | C21 | C26 | C25 | 0.8° | 0.6° |
| C22 | C21 | C26 | H26 | 179.2° | 179.8° |
| C26 | C21 | C22 | C23 | 0.9° | 0.3° |
| C26 | C21 | C22 | H22 | 179.2° | 179.8° |
| C21 | C26 | C25 | C24 | 0.4° | 0.6° |
| C21 | C26 | C25 | H26 | 180.0° | 179.7° |
| C21 | C26 | C25 | H25 | 179.6° | 179.7° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C22 | C23 | C24 | H24 | 179.8° | 180.0° |
| H22 | C22 | C23 | C24 | 179.5° | 180.0° |
| H22 | C22 | C23 | H23 | 0.5° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.3° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| H23 | C23 | C24 | C25 | 179.8° | 180.0° |
| H23 | C23 | C24 | H24 | 0.2° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.7° |
| C24 | C25 | C26 | H26 | 179.6° | 179.7° |
| H24 | C24 | C25 | C26 | 179.9° | 179.7° |
| H24 | C24 | C25 | H25 | 0.1° | 0.0° |
| H25 | C25 | C26 | H26 | 0.4° | 0.0° |
| H30 | C3 | C4 | H31 | 179.8° | 180.0° |
