9HI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | N1 | sing | 1.46Å | 1.47Å | |
| N1 | C5 | sing | 1.37Å | 1.35Å | Aromatic |
| N1 | C12 | sing | 1.36Å | 1.37Å | Aromatic |
| N3 | C3 | sing | 1.35Å | 1.33Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N3 | HN3A | sing | 0.97Å | 1.00Å | |
| C27 | C5 | sing | 1.48Å | 1.49Å | Aromatic |
| C5 | C1 | doub | 1.39Å | 1.46Å | Aromatic |
| C13 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C12 | sing | 1.51Å | 1.49Å | |
| C6 | C14 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C15 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | F2 | sing | 1.35Å | 1.35Å | |
| O5 | C3 | doub | 1.22Å | 1.22Å | |
| C3 | C29 | sing | 1.48Å | 1.50Å | |
| C29 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C32 | N2 | sing | 1.39Å | 1.36Å | |
| N2 | S1 | sing | 1.66Å | 1.60Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C2 | S1 | sing | 1.76Å | 1.66Å | |
| O1 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | O2 | doub | 1.42Å | 1.44Å | |
| C12 | C2 | doub | 1.35Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.37Å | Aromatic |
| C1 | C31 | sing | 1.48Å | 1.49Å | Aromatic |
| C16 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C16 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C18 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| F1 | C30 | sing | 1.35Å | 1.34Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| O4 | C9 | sing | 1.43Å | 1.42Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O3 | C11 | sing | 1.43Å | 1.41Å | |
| C11 | C35 | sing | 1.53Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C35 | C36 | sing | 1.51Å | 1.50Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| O6 | C36 | doub | 1.21Å | 1.22Å | |
| C36 | O7 | sing | 1.34Å | 1.33Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N1 | C5 | 121.8° | 125.5° |
| C7 | N1 | C12 | 128.3° | 125.5° |
| N1 | C7 | C8 | 112.4° | 109.4° |
| N1 | C7 | H7 | 108.5° | 109.5° |
| N1 | C7 | H7A | 107.9° | 109.5° |
| C5 | N1 | C12 | 109.9° | 108.9° |
| N1 | C5 | C27 | 134.0° | 126.3° |
| N1 | C5 | C1 | 108.0° | 107.5° |
| N1 | C12 | C6 | 126.6° | 125.5° |
| N1 | C12 | C2 | 107.3° | 109.0° |
| C3 | N3 | HN3 | 112.6° | 119.9° |
| C3 | N3 | HN3A | 123.7° | 120.0° |
| N3 | C3 | O5 | 121.7° | 120.0° |
| N3 | C3 | C29 | 119.1° | 120.0° |
| HN3 | N3 | HN3A | 123.7° | 120.0° |
| C27 | C5 | C1 | 117.9° | 126.2° |
| C5 | C27 | C21 | 118.2° | 120.1° |
| C5 | C27 | C18 | 121.9° | 120.2° |
| C5 | C1 | C2 | 105.1° | 106.8° |
| C5 | C1 | C31 | 126.1° | 126.6° |
| C13 | C6 | C12 | 112.3° | 109.5° |
| C13 | C6 | C14 | 112.8° | 109.4° |
| C13 | C6 | H6 | 105.3° | 109.5° |
| C6 | C13 | H13 | 109.5° | 109.5° |
| C6 | C13 | H13A | 109.4° | 109.5° |
| C6 | C13 | H13B | 109.4° | 109.5° |
| C12 | C6 | C14 | 110.0° | 109.5° |
| C12 | C6 | H6 | 108.4° | 109.5° |
| C6 | C12 | C2 | 126.2° | 125.5° |
| C14 | C6 | H6 | 107.8° | 109.5° |
| C6 | C14 | H14 | 109.5° | 109.5° |
| C6 | C14 | H14A | 109.5° | 109.5° |
| C6 | C14 | H14B | 109.4° | 109.4° |
| C8 | C7 | H7 | 108.5° | 109.4° |
| C8 | C7 | H7A | 107.8° | 109.4° |
| C7 | C8 | C9 | 111.4° | 109.5° |
| C7 | C8 | H8 | 108.8° | 109.5° |
| C7 | C8 | H8A | 108.4° | 109.4° |
| H7 | C7 | H7A | 111.7° | 109.5° |
| C9 | C8 | H8 | 108.8° | 109.5° |
| C9 | C8 | H8A | 108.4° | 109.5° |
| C8 | C9 | C10 | 109.3° | 109.5° |
| C8 | C9 | O4 | 110.5° | 109.5° |
| C8 | C9 | H9 | 108.2° | 109.5° |
| H8 | C8 | H8A | 111.0° | 109.5° |
| C9 | C10 | C11 | 112.5° | 109.5° |
| C9 | C10 | H10 | 108.5° | 109.4° |
| C9 | C10 | H10A | 107.8° | 109.5° |
| C10 | C9 | O4 | 107.5° | 109.5° |
| C10 | C9 | H9 | 111.2° | 109.5° |
| C11 | C10 | H10 | 108.5° | 109.5° |
| C11 | C10 | H10A | 107.8° | 109.4° |
| C10 | C11 | O3 | 109.6° | 109.5° |
| C10 | C11 | C35 | 108.7° | 109.5° |
| C10 | C11 | H11 | 109.8° | 109.5° |
| H10 | C10 | H10A | 111.9° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.4° |
| H13 | C13 | H13B | 109.5° | 109.4° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| C18 | C15 | C30 | 119.9° | 120.1° |
| C18 | C15 | H15 | 120.0° | 119.9° |
| C15 | C18 | C27 | 119.8° | 119.9° |
| C15 | C18 | H18 | 120.1° | 120.1° |
| C30 | C15 | H15 | 120.0° | 120.0° |
| C15 | C30 | C24 | 120.2° | 120.2° |
| C15 | C30 | F1 | 120.6° | 119.8° |
| C20 | C17 | C32 | 120.7° | 120.0° |
| C20 | C17 | H17 | 119.7° | 120.0° |
| C17 | C20 | C29 | 120.0° | 119.9° |
| C17 | C20 | H20 | 120.0° | 120.0° |
| C32 | C17 | H17 | 119.7° | 120.0° |
| C17 | C32 | C26 | 118.9° | 120.2° |
| C17 | C32 | N2 | 118.9° | 119.9° |
| C29 | C20 | H20 | 120.0° | 120.0° |
| C20 | C29 | C3 | 121.0° | 120.1° |
| C20 | C29 | C23 | 119.5° | 119.9° |
| C27 | C21 | C24 | 120.5° | 119.9° |
| C27 | C21 | H21 | 119.8° | 120.1° |
| C21 | C27 | C18 | 119.9° | 119.7° |
| C24 | C21 | H21 | 119.7° | 120.1° |
| C21 | C24 | C30 | 119.7° | 120.2° |
| C21 | C24 | H24 | 120.1° | 119.9° |
| C28 | C22 | C25 | 121.1° | 120.2° |
| C28 | C22 | H22 | 119.5° | 119.9° |
| C22 | C28 | C19 | 119.2° | 120.2° |
| C22 | C28 | F2 | 120.6° | 119.9° |
| C25 | C22 | H22 | 119.5° | 119.9° |
| C22 | C25 | C31 | 119.7° | 119.8° |
| C22 | C25 | H25 | 120.1° | 120.0° |
| C30 | C24 | H24 | 120.1° | 119.9° |
| C24 | C30 | F1 | 119.3° | 119.9° |
| C23 | C26 | C32 | 120.3° | 120.1° |
| C23 | C26 | H26 | 119.9° | 119.9° |
| C26 | C23 | C29 | 120.6° | 119.9° |
| C26 | C23 | H23 | 119.6° | 120.1° |
| C32 | C26 | H26 | 119.9° | 120.0° |
| C26 | C32 | N2 | 122.2° | 119.9° |
| C19 | C28 | F2 | 120.1° | 119.9° |
| C28 | C19 | C16 | 119.7° | 120.1° |
| C28 | C19 | H19 | 120.2° | 120.0° |
| O5 | C3 | C29 | 119.2° | 120.0° |
| C3 | C29 | C23 | 119.4° | 120.0° |
| C29 | C23 | H23 | 119.7° | 120.0° |
| C32 | N2 | S1 | 121.7° | 120.0° |
| C32 | N2 | HN2 | 105.6° | 120.0° |
| S1 | N2 | HN2 | 105.5° | 120.0° |
| N2 | S1 | C2 | 109.9° | 107.2° |
| N2 | S1 | O1 | 109.9° | 106.4° |
| N2 | S1 | O2 | 107.8° | 106.4° |
| C2 | S1 | O1 | 112.2° | 106.4° |
| C2 | S1 | O2 | 108.9° | 106.4° |
| S1 | C2 | C12 | 127.6° | 126.2° |
| S1 | C2 | C1 | 122.8° | 126.2° |
| O1 | S1 | O2 | 108.0° | 123.1° |
| C12 | C2 | C1 | 109.7° | 107.7° |
| C2 | C1 | C31 | 128.7° | 126.6° |
| C1 | C31 | C16 | 118.4° | 120.1° |
| C1 | C31 | C25 | 122.5° | 120.1° |
| C16 | C31 | C25 | 119.1° | 119.8° |
| C31 | C16 | C19 | 121.2° | 119.9° |
| C31 | C16 | H16 | 119.4° | 120.0° |
| C31 | C25 | H25 | 120.2° | 120.1° |
| C19 | C16 | H16 | 119.4° | 120.0° |
| C16 | C19 | H19 | 120.2° | 119.9° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.4° |
| C27 | C18 | H18 | 120.1° | 120.0° |
| O4 | C9 | H9 | 110.0° | 109.5° |
| C9 | O4 | HO4 | 109.5° | 114.0° |
| O3 | C11 | C35 | 109.2° | 109.4° |
| O3 | C11 | H11 | 109.3° | 109.5° |
| C11 | O3 | HO3 | 109.5° | 114.0° |
| C35 | C11 | H11 | 110.2° | 109.5° |
| C11 | C35 | C36 | 109.3° | 109.5° |
| C11 | C35 | H35 | 109.6° | 109.5° |
| C11 | C35 | H35A | 109.6° | 109.5° |
| C36 | C35 | H35 | 109.5° | 109.5° |
| C36 | C35 | H35A | 109.6° | 109.5° |
| C35 | C36 | O6 | 119.9° | 120.0° |
| C35 | C36 | O7 | 119.2° | 120.1° |
| H35 | C35 | H35A | 109.3° | 109.5° |
| O6 | C36 | O7 | 120.9° | 120.0° |
| C36 | O7 | HO7 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N1 | C5 | C12 | 178.4° | 179.9° |
| C7 | N1 | C5 | C27 | 2.4° | 0.2° |
| C7 | N1 | C5 | C1 | 180.0° | 179.8° |
| C7 | N1 | C12 | C6 | 1.8° | 0.2° |
| N1 | C7 | C8 | H7 | 120.0° | 120.0° |
| N1 | C7 | C8 | H7A | 118.8° | 120.0° |
| N1 | C7 | H7 | H7A | 118.9° | 120.1° |
| N1 | C7 | C8 | C9 | 163.9° | 175.3° |
| N1 | C7 | C8 | H8 | 76.1° | 55.4° |
| N1 | C7 | C8 | H8A | 44.7° | 64.7° |
| C7 | N1 | C12 | C2 | 179.3° | 179.8° |
| N1 | C5 | C27 | C1 | 177.4° | 179.9° |
| C5 | N1 | C12 | C6 | 179.9° | 180.0° |
| C5 | N1 | C7 | C8 | 88.5° | 85.6° |
| C5 | N1 | C7 | H7 | 31.5° | 154.5° |
| C5 | N1 | C7 | H7A | 152.8° | 34.4° |
| N1 | C5 | C27 | C21 | 78.1° | 54.3° |
| C5 | N1 | C12 | C2 | 1.0° | 0.1° |
| N1 | C5 | C1 | C2 | 1.5° | 0.0° |
| N1 | C5 | C1 | C31 | 179.1° | 179.9° |
| N1 | C5 | C27 | C18 | 101.3° | 125.7° |
| C12 | N1 | C5 | C27 | 179.2° | 180.0° |
| C12 | N1 | C5 | C1 | 1.6° | 0.1° |
| N1 | C12 | C6 | C13 | 56.7° | 120.2° |
| N1 | C12 | C6 | C2 | 178.7° | 179.9° |
| N1 | C12 | C6 | C14 | 69.8° | 119.9° |
| N1 | C12 | C6 | H6 | 172.6° | 0.2° |
| C12 | N1 | C7 | C8 | 93.4° | 94.3° |
| C12 | N1 | C7 | H7 | 146.6° | 25.7° |
| C12 | N1 | C7 | H7A | 25.3° | 145.8° |
| N1 | C12 | C2 | S1 | 179.4° | 180.0° |
| N1 | C12 | C2 | C1 | 0.0° | 0.0° |
| C3 | N3 | HN3 | HN3A | 180.0° | 180.0° |
| N3 | C3 | C29 | C20 | 79.0° | 180.0° |
| N3 | C3 | O5 | C29 | 179.7° | 180.0° |
| N3 | C3 | C29 | C23 | 101.4° | 0.0° |
| HN3 | N3 | C3 | O5 | 0.0° | 0.0° |
| HN3 | N3 | C3 | C29 | 179.7° | 180.0° |
| HN3A | N3 | C3 | O5 | 180.0° | 180.0° |
| HN3A | N3 | C3 | C29 | 0.3° | 0.0° |
| C5 | C27 | C18 | C15 | 179.7° | 180.0° |
| C5 | C27 | C21 | C18 | 179.4° | 180.0° |
| C5 | C27 | C21 | C24 | 179.6° | 180.0° |
| C5 | C27 | C21 | H21 | 0.4° | 0.0° |
| C27 | C5 | C1 | C2 | 179.5° | 180.0° |
| C27 | C5 | C1 | C31 | 2.9° | 0.0° |
| C5 | C27 | C18 | H18 | 0.3° | 0.0° |
| C1 | C5 | C27 | C21 | 99.3° | 125.8° |
| C5 | C1 | C2 | S1 | 179.7° | 180.0° |
| C5 | C1 | C2 | C12 | 0.9° | 0.0° |
| C5 | C1 | C2 | C31 | 177.5° | 180.0° |
| C5 | C1 | C31 | C16 | 84.5° | 111.8° |
| C5 | C1 | C31 | C25 | 94.9° | 68.2° |
| C1 | C5 | C27 | C18 | 81.3° | 54.3° |
| C13 | C6 | C12 | C14 | 126.5° | 119.9° |
| C13 | C6 | C12 | H6 | 115.9° | 120.0° |
| C13 | C6 | C14 | H6 | 115.8° | 120.0° |
| C6 | C13 | H13 | H13A | 120.0° | 120.0° |
| C6 | C13 | H13 | H13B | 120.0° | 120.0° |
| C6 | C13 | H13A | H13B | 120.0° | 120.1° |
| C13 | C6 | C12 | C2 | 124.5° | 59.9° |
| C13 | C6 | C14 | H14 | 169.0° | 83.9° |
| C13 | C6 | C14 | H14A | 71.0° | 36.1° |
| C13 | C6 | C14 | H14B | 49.0° | 156.1° |
| C12 | C6 | C14 | H6 | 118.0° | 120.0° |
| C12 | C6 | C13 | H13 | 118.1° | 75.2° |
| C12 | C6 | C13 | H13A | 1.9° | 164.9° |
| C12 | C6 | C13 | H13B | 121.9° | 44.8° |
| C6 | C12 | C2 | S1 | 0.4° | 0.0° |
| C6 | C12 | C2 | C1 | 178.9° | 180.0° |
| C12 | C6 | C14 | H14 | 64.8° | 36.1° |
| C12 | C6 | C14 | H14A | 55.2° | 156.1° |
| C12 | C6 | C14 | H14B | 175.2° | 84.0° |
| C14 | C6 | C13 | H13 | 6.9° | 164.9° |
| C14 | C6 | C13 | H13A | 126.9° | 44.9° |
| C14 | C6 | C13 | H13B | 113.1° | 75.2° |
| C14 | C6 | C12 | C2 | 109.0° | 60.0° |
| C6 | C14 | H14 | H14A | 120.0° | 120.0° |
| C6 | C14 | H14 | H14B | 120.0° | 120.0° |
| C6 | C14 | H14A | H14B | 120.0° | 119.9° |
| H6 | C6 | C13 | H13 | 124.2° | 44.8° |
| H6 | C6 | C13 | H13A | 115.8° | 75.1° |
| H6 | C6 | C13 | H13B | 4.2° | 164.8° |
| H6 | C6 | C12 | C2 | 8.7° | 179.9° |
| H6 | C6 | C14 | H14 | 53.2° | 156.1° |
| H6 | C6 | C14 | H14A | 173.2° | 83.9° |
| H6 | C6 | C14 | H14B | 66.8° | 36.1° |
| C8 | C7 | H7 | H7A | 118.8° | 119.9° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 119.2° | 120.0° |
| C7 | C8 | H8 | H8A | 119.2° | 120.0° |
| C7 | C8 | C9 | C10 | 165.3° | 175.0° |
| C7 | C8 | C9 | O4 | 76.6° | 65.0° |
| C7 | C8 | C9 | H9 | 44.0° | 55.0° |
| H7 | C7 | C8 | C9 | 43.9° | 64.7° |
| H7 | C7 | C8 | H8 | 163.9° | 175.3° |
| H7 | C7 | C8 | H8A | 75.3° | 55.3° |
| H7A | C7 | C8 | C9 | 77.3° | 55.3° |
| H7A | C7 | C8 | H8 | 42.6° | 64.7° |
| H7A | C7 | C8 | H8A | 163.5° | 175.3° |
| C9 | C8 | H8 | H8A | 119.2° | 120.0° |
| C8 | C9 | C10 | O4 | 120.1° | 120.0° |
| C8 | C9 | C10 | H9 | 119.4° | 120.0° |
| C8 | C9 | C10 | C11 | 81.6° | 175.0° |
| C8 | C9 | C10 | H10 | 158.4° | 65.0° |
| C8 | C9 | C10 | H10A | 37.1° | 55.0° |
| C8 | C9 | O4 | H9 | 119.4° | 120.0° |
| C8 | C9 | O4 | HO4 | 129.9° | 60.0° |
| H8 | C8 | C9 | C10 | 74.7° | 65.0° |
| H8 | C8 | C9 | O4 | 43.4° | 55.0° |
| H8 | C8 | C9 | H9 | 164.0° | 175.0° |
| H8A | C8 | C9 | C10 | 46.1° | 55.0° |
| H8A | C8 | C9 | O4 | 164.3° | 175.0° |
| H8A | C8 | C9 | H9 | 75.2° | 65.0° |
| C9 | C10 | C11 | H10 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10A | 118.7° | 120.0° |
| C9 | C10 | H10 | H10A | 118.7° | 120.0° |
| C10 | C9 | O4 | H9 | 121.3° | 120.0° |
| C10 | C9 | O4 | HO4 | 110.8° | 60.0° |
| C9 | C10 | C11 | O3 | 70.4° | 65.0° |
| C9 | C10 | C11 | C35 | 170.3° | 175.0° |
| C9 | C10 | C11 | H11 | 49.7° | 55.0° |
| C11 | C10 | H10 | H10A | 118.7° | 120.0° |
| C11 | C10 | C9 | O4 | 158.4° | 65.0° |
| C11 | C10 | C9 | H9 | 37.8° | 55.0° |
| C10 | C11 | O3 | C35 | 119.0° | 120.0° |
| C10 | C11 | O3 | H11 | 120.4° | 120.0° |
| C10 | C11 | C35 | H11 | 120.4° | 120.0° |
| C10 | C11 | O3 | HO3 | 152.5° | 60.0° |
| C10 | C11 | C35 | C36 | 166.3° | 175.0° |
| C10 | C11 | C35 | H35 | 73.8° | 65.0° |
| C10 | C11 | C35 | H35A | 46.2° | 55.0° |
| H10 | C10 | C9 | O4 | 38.4° | 55.0° |
| H10 | C10 | C9 | H9 | 82.2° | 175.0° |
| H10 | C10 | C11 | O3 | 49.6° | 55.0° |
| H10 | C10 | C11 | C35 | 69.8° | 65.0° |
| H10 | C10 | C11 | H11 | 169.7° | 175.0° |
| H10A | C10 | C9 | O4 | 82.9° | 175.0° |
| H10A | C10 | C9 | H9 | 156.5° | 65.0° |
| H10A | C10 | C11 | O3 | 170.9° | 175.0° |
| H10A | C10 | C11 | C35 | 51.6° | 55.0° |
| H10A | C10 | C11 | H11 | 69.0° | 65.0° |
| H13 | C13 | H13A | H13B | 120.0° | 119.9° |
| C18 | C15 | C30 | H15 | 180.0° | 179.7° |
| C15 | C18 | C27 | C21 | 0.3° | 0.1° |
| C18 | C15 | C30 | C24 | 0.2° | 0.1° |
| C15 | C18 | C27 | H18 | 180.0° | 179.9° |
| C18 | C15 | C30 | F1 | 179.9° | 180.0° |
| C15 | C30 | C24 | C21 | 0.1° | 0.0° |
| C15 | C30 | C24 | F1 | 179.9° | 179.9° |
| C15 | C30 | C24 | H24 | 179.9° | 180.0° |
| C30 | C15 | C18 | C27 | 0.4° | 0.1° |
| C30 | C15 | C18 | H18 | 179.6° | 180.0° |
| H15 | C15 | C30 | C24 | 179.8° | 179.7° |
| H15 | C15 | C18 | C27 | 179.6° | 179.7° |
| H15 | C15 | C30 | F1 | 0.1° | 0.3° |
| H15 | C15 | C18 | H18 | 0.3° | 0.3° |
| C20 | C17 | C32 | H17 | 180.0° | 179.6° |
| C17 | C20 | C29 | H20 | 180.0° | 180.0° |
| C20 | C17 | C32 | C26 | 0.4° | 0.0° |
| C17 | C20 | C29 | C3 | 179.8° | 180.0° |
| C17 | C20 | C29 | C23 | 0.1° | 0.0° |
| C20 | C17 | C32 | N2 | 179.6° | 179.7° |
| C32 | C17 | C20 | C29 | 0.2° | 0.1° |
| C32 | C17 | C20 | H20 | 179.7° | 180.0° |
| C17 | C32 | C26 | C23 | 0.4° | 0.0° |
| C17 | C32 | C26 | N2 | 180.0° | 179.8° |
| C17 | C32 | C26 | H26 | 179.5° | 179.9° |
| C17 | C32 | N2 | S1 | 148.7° | 104.8° |
| C17 | C32 | N2 | HN2 | 91.3° | 75.3° |
| H17 | C17 | C20 | C29 | 179.8° | 179.7° |
| H17 | C17 | C20 | H20 | 0.2° | 0.3° |
| H17 | C17 | C32 | C26 | 179.6° | 179.7° |
| H17 | C17 | C32 | N2 | 0.4° | 0.1° |
| C20 | C29 | C23 | C26 | 0.2° | 0.0° |
| C20 | C29 | C3 | O5 | 101.3° | 0.0° |
| C20 | C29 | C3 | C23 | 179.6° | 179.9° |
| C20 | C29 | C23 | H23 | 179.9° | 179.9° |
| H20 | C20 | C29 | C3 | 0.2° | 0.1° |
| H20 | C20 | C29 | C23 | 179.9° | 180.0° |
| C27 | C21 | C24 | H21 | 180.0° | 180.0° |
| C27 | C21 | C24 | C30 | 0.0° | 0.0° |
| C27 | C21 | C24 | H24 | 180.0° | 180.0° |
| C21 | C27 | C18 | H18 | 179.7° | 180.0° |
| C21 | C24 | C30 | H24 | 180.0° | 180.0° |
| C24 | C21 | C27 | C18 | 0.2° | 0.0° |
| C21 | C24 | C30 | F1 | 179.9° | 180.0° |
| H21 | C21 | C24 | C30 | 180.0° | 180.0° |
| H21 | C21 | C24 | H24 | 0.0° | 0.0° |
| H21 | C21 | C27 | C18 | 179.8° | 180.0° |
| C28 | C22 | C25 | H22 | 180.0° | 179.9° |
| C22 | C28 | C19 | F2 | 180.0° | 179.9° |
| C28 | C22 | C25 | C31 | 0.1° | 0.2° |
| C28 | C22 | C25 | H25 | 179.9° | 179.7° |
| C22 | C28 | C19 | C16 | 0.0° | 0.1° |
| C22 | C28 | C19 | H19 | 179.9° | 179.8° |
| C25 | C22 | C28 | C19 | 0.1° | 0.2° |
| C25 | C22 | C28 | F2 | 180.0° | 179.8° |
| C22 | C25 | C31 | C1 | 179.8° | 179.9° |
| C22 | C25 | C31 | C16 | 0.4° | 0.1° |
| C22 | C25 | C31 | H25 | 180.0° | 179.9° |
| H22 | C22 | C28 | C19 | 180.0° | 180.0° |
| H22 | C22 | C28 | F2 | 0.0° | 0.1° |
| H22 | C22 | C25 | C31 | 179.9° | 180.0° |
| H22 | C22 | C25 | H25 | 0.1° | 0.1° |
| H24 | C24 | C30 | F1 | 0.1° | 0.0° |
| C23 | C26 | C32 | H26 | 180.0° | 179.9° |
| C26 | C23 | C29 | C3 | 179.8° | 179.9° |
| C26 | C23 | C29 | H23 | 180.0° | 179.9° |
| C23 | C26 | C32 | N2 | 179.5° | 179.8° |
| C32 | C26 | C23 | C29 | 0.3° | 0.0° |
| C32 | C26 | C23 | H23 | 179.7° | 179.9° |
| C26 | C32 | N2 | S1 | 31.3° | 75.4° |
| C26 | C32 | N2 | HN2 | 88.7° | 104.5° |
| H26 | C26 | C23 | C29 | 179.7° | 179.9° |
| H26 | C26 | C23 | H23 | 0.3° | 0.1° |
| H26 | C26 | C32 | N2 | 0.5° | 0.3° |
| C28 | C19 | C16 | C31 | 0.3° | 0.3° |
| C28 | C19 | C16 | H19 | 180.0° | 179.7° |
| C28 | C19 | C16 | H16 | 179.7° | 180.0° |
| F2 | C28 | C19 | C16 | 179.9° | 180.0° |
| F2 | C28 | C19 | H19 | 0.1° | 0.3° |
| O5 | C3 | C29 | C23 | 78.4° | 180.0° |
| C3 | C29 | C23 | H23 | 0.2° | 0.0° |
| C32 | N2 | S1 | HN2 | 120.0° | 179.9° |
| C32 | N2 | S1 | C2 | 44.9° | 65.1° |
| C32 | N2 | S1 | O1 | 79.1° | 178.7° |
| C32 | N2 | S1 | O2 | 163.5° | 48.4° |
| N2 | S1 | C2 | O1 | 122.6° | 113.5° |
| N2 | S1 | C2 | O2 | 117.8° | 113.6° |
| N2 | S1 | O1 | O2 | 117.3° | 123.0° |
| N2 | S1 | C2 | C12 | 118.7° | 108.0° |
| N2 | S1 | C2 | C1 | 62.0° | 72.0° |
| HN2 | N2 | S1 | C2 | 164.9° | 114.8° |
| HN2 | N2 | S1 | O1 | 41.0° | 1.3° |
| HN2 | N2 | S1 | O2 | 76.5° | 131.6° |
| C2 | S1 | O1 | O2 | 120.1° | 123.0° |
| S1 | C2 | C12 | C1 | 179.4° | 180.0° |
| S1 | C2 | C1 | C31 | 2.2° | 0.0° |
| O1 | S1 | C2 | C12 | 3.9° | 138.5° |
| O1 | S1 | C2 | C1 | 175.4° | 41.5° |
| O2 | S1 | C2 | C12 | 123.4° | 5.5° |
| O2 | S1 | C2 | C1 | 55.9° | 174.5° |
| C12 | C2 | C1 | C31 | 178.4° | 180.0° |
| C2 | C1 | C31 | C16 | 92.5° | 68.1° |
| C2 | C1 | C31 | C25 | 88.1° | 111.9° |
| C1 | C31 | C16 | C25 | 179.4° | 180.0° |
| C1 | C31 | C25 | H25 | 0.3° | 0.0° |
| C1 | C31 | C16 | C19 | 179.9° | 179.7° |
| C1 | C31 | C16 | H16 | 0.1° | 0.0° |
| C16 | C31 | C25 | H25 | 179.7° | 180.0° |
| C31 | C16 | C19 | H16 | 180.0° | 179.7° |
| C31 | C16 | C19 | H19 | 179.7° | 180.0° |
| C25 | C31 | C16 | C19 | 0.5° | 0.3° |
| C25 | C31 | C16 | H16 | 179.6° | 180.0° |
| H16 | C16 | C19 | H19 | 0.3° | 0.3° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| H9 | C9 | O4 | HO4 | 10.4° | 180.0° |
| O3 | C11 | C35 | H11 | 120.1° | 120.0° |
| O3 | C11 | C35 | C36 | 74.2° | 65.0° |
| O3 | C11 | C35 | H35 | 45.8° | 55.0° |
| O3 | C11 | C35 | H35A | 165.8° | 175.0° |
| C35 | C11 | O3 | HO3 | 33.4° | 60.0° |
| C11 | C35 | C36 | H35 | 120.0° | 120.0° |
| C11 | C35 | C36 | H35A | 120.1° | 120.0° |
| C11 | C35 | H35 | H35A | 120.1° | 120.0° |
| C11 | C35 | C36 | O6 | 102.7° | 0.0° |
| C11 | C35 | C36 | O7 | 77.0° | 180.0° |
| H11 | C11 | O3 | HO3 | 87.2° | 180.0° |
| H11 | C11 | C35 | C36 | 45.9° | 55.0° |
| H11 | C11 | C35 | H35 | 165.9° | 175.0° |
| H11 | C11 | C35 | H35A | 74.2° | 65.0° |
| C36 | C35 | H35 | H35A | 120.1° | 120.0° |
| C35 | C36 | O6 | O7 | 179.8° | 180.0° |
| C35 | C36 | O7 | HO7 | 179.8° | 180.0° |
| H35 | C35 | C36 | O6 | 17.3° | 120.0° |
| H35 | C35 | C36 | O7 | 162.9° | 60.0° |
| H35A | C35 | C36 | O6 | 137.2° | 120.0° |
| H35A | C35 | C36 | O7 | 43.0° | 60.0° |
| O6 | C36 | O7 | HO7 | 0.0° | 0.0° |
