HR1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C6 | sing | 1.46Å | 1.50Å | |
| N1 | C12 | sing | 1.36Å | 1.38Å | Aromatic |
| N1 | C2 | sing | 1.38Å | 1.36Å | Aromatic |
| C4 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C12 | doub | 1.36Å | 1.48Å | Aromatic |
| C5 | C1 | sing | 1.46Å | 1.46Å | Aromatic |
| C5 | C27 | sing | 1.48Å | 1.49Å | Aromatic |
| C6 | C13 | sing | 1.53Å | 1.53Å | |
| C6 | C14 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | C12 | sing | 1.51Å | 1.50Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C15 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | N2 | sing | 1.40Å | 1.42Å | |
| C21 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| O1 | C3 | doub | 1.22Å | 1.25Å | |
| C3 | C2 | sing | 1.41Å | 1.40Å | |
| C3 | N2 | sing | 1.34Å | 1.36Å | |
| C2 | C1 | doub | 1.39Å | 1.46Å | Aromatic |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C1 | C31 | sing | 1.47Å | 1.48Å | Aromatic |
| C31 | C16 | doub | 1.41Å | 1.39Å | Aromatic |
| C31 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C16 | N2 | sing | 1.38Å | 1.36Å | |
| C16 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | F1 | sing | 1.35Å | 1.35Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | O4 | sing | 1.43Å | 1.42Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C11 | C35 | sing | 1.53Å | 1.52Å | |
| C11 | O3 | sing | 1.43Å | 1.42Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C35 | C36 | sing | 1.51Å | 1.50Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | O6 | doub | 1.21Å | 1.25Å | |
| C36 | O7 | sing | 1.34Å | 1.25Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N1 | C12 | 126.4° | 124.9° |
| C6 | N1 | C2 | 123.2° | 124.9° |
| N1 | C6 | C13 | 112.7° | 109.5° |
| N1 | C6 | C14 | 109.7° | 109.5° |
| N1 | C6 | H6 | 108.3° | 109.4° |
| C12 | N1 | C2 | 110.4° | 110.2° |
| N1 | C12 | C5 | 108.2° | 109.4° |
| N1 | C12 | C7 | 128.7° | 125.3° |
| N1 | C2 | C3 | 136.2° | 133.3° |
| N1 | C2 | C1 | 110.0° | 107.4° |
| C23 | C4 | C26 | 119.9° | 120.1° |
| C23 | C4 | H4 | 120.1° | 120.0° |
| C4 | C23 | C29 | 119.8° | 120.1° |
| C4 | C23 | H23 | 120.1° | 119.9° |
| C26 | C4 | H4 | 120.1° | 119.9° |
| C4 | C26 | C20 | 120.3° | 119.9° |
| C4 | C26 | H26 | 119.8° | 120.1° |
| C12 | C5 | C1 | 106.0° | 106.5° |
| C12 | C5 | C27 | 126.7° | 126.7° |
| C5 | C12 | C7 | 123.1° | 125.3° |
| C1 | C5 | C27 | 127.3° | 126.8° |
| C5 | C1 | C2 | 105.4° | 106.5° |
| C5 | C1 | C31 | 132.1° | 134.7° |
| C5 | C27 | C21 | 117.3° | 120.1° |
| C5 | C27 | C18 | 123.0° | 120.1° |
| C13 | C6 | C14 | 112.9° | 109.5° |
| C13 | C6 | H6 | 104.8° | 109.5° |
| C6 | C13 | H131 | 109.5° | 109.5° |
| C6 | C13 | H132 | 109.4° | 109.4° |
| C6 | C13 | H133 | 109.5° | 109.4° |
| C14 | C6 | H6 | 108.1° | 109.5° |
| C6 | C14 | H141 | 109.5° | 109.5° |
| C6 | C14 | H142 | 109.4° | 109.4° |
| C6 | C14 | H143 | 109.5° | 109.5° |
| C8 | C7 | C12 | 114.2° | 109.5° |
| C8 | C7 | H71 | 107.9° | 109.5° |
| C8 | C7 | H72 | 106.8° | 109.4° |
| C7 | C8 | C9 | 107.0° | 109.5° |
| C7 | C8 | H81 | 110.3° | 109.5° |
| C7 | C8 | H82 | 110.9° | 109.5° |
| C12 | C7 | H71 | 107.9° | 109.5° |
| C12 | C7 | H72 | 106.8° | 109.5° |
| H71 | C7 | H72 | 113.3° | 109.5° |
| C9 | C8 | H81 | 110.3° | 109.5° |
| C9 | C8 | H82 | 110.8° | 109.5° |
| C8 | C9 | C10 | 109.5° | 109.5° |
| C8 | C9 | O4 | 109.1° | 109.5° |
| C8 | C9 | H9 | 110.0° | 109.4° |
| H81 | C8 | H82 | 107.5° | 109.4° |
| C9 | C10 | C11 | 111.2° | 109.5° |
| C9 | C10 | H101 | 108.9° | 109.4° |
| C9 | C10 | H102 | 108.5° | 109.5° |
| C10 | C9 | O4 | 110.3° | 109.5° |
| C10 | C9 | H9 | 108.8° | 109.4° |
| C11 | C10 | H101 | 108.9° | 109.5° |
| C11 | C10 | H102 | 108.5° | 109.5° |
| C10 | C11 | C35 | 108.3° | 109.5° |
| C10 | C11 | O3 | 110.6° | 109.5° |
| C10 | C11 | H11 | 109.9° | 109.4° |
| H101 | C10 | H102 | 110.8° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| C18 | C15 | C30 | 120.4° | 120.1° |
| C18 | C15 | H15 | 119.8° | 119.9° |
| C15 | C18 | C27 | 119.5° | 119.9° |
| C15 | C18 | H18 | 120.2° | 120.1° |
| C30 | C15 | H15 | 119.9° | 120.0° |
| C15 | C30 | C24 | 119.9° | 120.2° |
| C15 | C30 | F1 | 121.0° | 119.8° |
| C29 | C17 | C20 | 119.9° | 119.9° |
| C29 | C17 | H17 | 120.1° | 120.0° |
| C17 | C29 | C23 | 120.4° | 120.1° |
| C17 | C29 | H29 | 119.8° | 120.0° |
| C20 | C17 | H17 | 120.0° | 120.1° |
| C17 | C20 | C26 | 119.7° | 119.9° |
| C17 | C20 | N2 | 120.8° | 120.1° |
| C26 | C20 | N2 | 119.5° | 120.1° |
| C20 | C26 | H26 | 119.9° | 120.0° |
| C20 | N2 | C3 | 116.3° | 119.0° |
| C20 | N2 | C16 | 120.1° | 119.1° |
| C27 | C21 | C24 | 120.8° | 119.9° |
| C27 | C21 | H21 | 119.6° | 120.0° |
| C21 | C27 | C18 | 119.7° | 119.8° |
| C24 | C21 | H21 | 119.6° | 120.1° |
| C21 | C24 | C30 | 119.7° | 120.1° |
| C21 | C24 | H24 | 120.2° | 119.9° |
| C25 | C22 | C28 | 119.3° | 120.3° |
| C25 | C22 | H22 | 120.3° | 119.9° |
| C22 | C25 | C31 | 119.9° | 119.8° |
| C22 | C25 | H25 | 120.0° | 120.1° |
| C28 | C22 | H22 | 120.3° | 119.8° |
| C22 | C28 | C19 | 120.8° | 120.6° |
| C22 | C28 | H28 | 119.6° | 119.7° |
| C30 | C24 | H24 | 120.2° | 119.9° |
| C24 | C30 | F1 | 119.1° | 119.9° |
| C19 | C28 | H28 | 119.6° | 119.7° |
| C28 | C19 | C16 | 120.6° | 120.0° |
| C28 | C19 | H19 | 119.7° | 120.0° |
| O1 | C3 | C2 | 118.0° | 119.2° |
| O1 | C3 | N2 | 118.6° | 119.2° |
| C2 | C3 | N2 | 123.4° | 121.6° |
| C3 | C2 | C1 | 113.8° | 119.3° |
| C3 | N2 | C16 | 123.6° | 121.9° |
| C2 | C1 | C31 | 122.4° | 118.8° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| C1 | C31 | C16 | 116.2° | 118.6° |
| C1 | C31 | C25 | 122.3° | 121.5° |
| C16 | C31 | C25 | 121.5° | 119.9° |
| C31 | C16 | N2 | 120.5° | 119.9° |
| C31 | C16 | C19 | 117.9° | 119.4° |
| C31 | C25 | H25 | 120.0° | 120.1° |
| N2 | C16 | C19 | 121.6° | 120.7° |
| C16 | C19 | H19 | 119.7° | 120.0° |
| C29 | C23 | H23 | 120.1° | 120.0° |
| C23 | C29 | H29 | 119.8° | 119.9° |
| C27 | C18 | H18 | 120.2° | 120.0° |
| O4 | C9 | H9 | 109.2° | 109.5° |
| C9 | O4 | HO4 | 109.5° | 114.0° |
| C35 | C11 | O3 | 110.4° | 109.5° |
| C35 | C11 | H11 | 110.0° | 109.5° |
| C11 | C35 | C36 | 109.4° | 109.5° |
| C11 | C35 | H351 | 109.5° | 109.5° |
| C11 | C35 | H352 | 109.6° | 109.5° |
| O3 | C11 | H11 | 107.7° | 109.5° |
| C11 | O3 | HO3 | 109.5° | 114.0° |
| C36 | C35 | H351 | 109.5° | 109.4° |
| C36 | C35 | H352 | 109.5° | 109.5° |
| C35 | C36 | O6 | 118.4° | 120.0° |
| C35 | C36 | O7 | 117.6° | 120.0° |
| H351 | C35 | H352 | 109.4° | 109.5° |
| O6 | C36 | O7 | 124.0° | 120.0° |
| C36 | O7 | HO7 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N1 | C12 | C2 | 179.0° | 179.7° |
| C6 | N1 | C12 | C5 | 179.4° | 179.9° |
| N1 | C6 | C13 | C14 | 125.0° | 120.0° |
| N1 | C6 | C13 | H6 | 117.5° | 119.9° |
| N1 | C6 | C14 | H6 | 117.9° | 120.0° |
| C6 | N1 | C12 | C7 | 2.8° | 0.0° |
| N1 | C6 | C13 | H131 | 12.3° | 60.1° |
| N1 | C6 | C13 | H132 | 107.7° | 180.0° |
| N1 | C6 | C13 | H133 | 132.3° | 60.0° |
| C6 | N1 | C2 | C3 | 0.3° | 0.0° |
| C6 | N1 | C2 | C1 | 179.5° | 180.0° |
| N1 | C6 | C14 | H141 | 0.8° | 60.0° |
| N1 | C6 | C14 | H142 | 119.2° | 180.0° |
| N1 | C6 | C14 | H143 | 120.8° | 60.0° |
| N1 | C12 | C5 | C7 | 176.8° | 179.8° |
| N1 | C12 | C5 | C1 | 2.1° | 0.4° |
| N1 | C12 | C5 | C27 | 178.5° | 180.0° |
| C12 | N1 | C6 | C13 | 55.4° | 120.0° |
| C12 | N1 | C6 | C14 | 71.3° | 120.0° |
| C12 | N1 | C6 | H6 | 170.9° | 0.0° |
| N1 | C12 | C7 | C8 | 90.3° | 90.0° |
| N1 | C12 | C7 | H71 | 29.7° | 30.0° |
| N1 | C12 | C7 | H72 | 151.8° | 150.0° |
| C12 | N1 | C2 | C3 | 179.3° | 179.7° |
| C12 | N1 | C2 | C1 | 0.5° | 0.2° |
| C2 | N1 | C12 | C5 | 1.6° | 0.4° |
| N1 | C2 | C1 | C5 | 0.9° | 0.0° |
| C2 | N1 | C6 | C13 | 125.7° | 59.7° |
| C2 | N1 | C6 | C14 | 107.5° | 60.3° |
| C2 | N1 | C6 | H6 | 10.3° | 179.7° |
| C2 | N1 | C12 | C7 | 178.2° | 179.8° |
| N1 | C2 | C3 | O1 | 0.0° | 0.1° |
| N1 | C2 | C3 | C1 | 179.7° | 180.0° |
| N1 | C2 | C3 | N2 | 180.0° | 180.0° |
| N1 | C2 | C1 | C31 | 179.6° | 179.8° |
| C23 | C4 | C26 | H4 | 180.0° | 179.7° |
| C4 | C23 | C29 | C17 | 0.0° | 0.1° |
| C23 | C4 | C26 | C20 | 0.6° | 0.0° |
| C23 | C4 | C26 | H26 | 179.4° | 179.9° |
| C4 | C23 | C29 | H23 | 180.0° | 180.0° |
| C4 | C23 | C29 | H29 | 180.0° | 180.0° |
| C4 | C26 | C20 | C17 | 0.7° | 0.1° |
| C4 | C26 | C20 | H26 | 180.0° | 179.9° |
| C4 | C26 | C20 | N2 | 179.8° | 179.9° |
| C26 | C4 | C23 | C29 | 0.2° | 0.0° |
| C26 | C4 | C23 | H23 | 179.8° | 180.0° |
| H4 | C4 | C26 | C20 | 179.5° | 179.8° |
| H4 | C4 | C26 | H26 | 0.6° | 0.3° |
| H4 | C4 | C23 | C29 | 179.8° | 179.8° |
| H4 | C4 | C23 | H23 | 0.2° | 0.3° |
| C12 | C5 | C1 | C27 | 176.3° | 179.6° |
| C5 | C12 | C7 | C8 | 93.6° | 89.8° |
| C5 | C12 | C7 | H71 | 146.4° | 150.2° |
| C5 | C12 | C7 | H72 | 24.3° | 30.2° |
| C12 | C5 | C27 | C21 | 75.2° | 115.1° |
| C12 | C5 | C1 | C2 | 1.8° | 0.3° |
| C12 | C5 | C1 | C31 | 179.6° | 180.0° |
| C12 | C5 | C27 | C18 | 105.9° | 64.9° |
| C1 | C5 | C12 | C7 | 178.9° | 179.8° |
| C1 | C5 | C27 | C21 | 100.4° | 65.5° |
| C5 | C1 | C2 | C3 | 179.3° | 180.0° |
| C5 | C1 | C2 | C31 | 178.7° | 179.8° |
| C5 | C1 | C31 | C16 | 178.8° | 179.9° |
| C5 | C1 | C31 | C25 | 1.6° | 0.0° |
| C1 | C5 | C27 | C18 | 78.6° | 114.5° |
| C27 | C5 | C12 | C7 | 4.7° | 0.2° |
| C5 | C27 | C18 | C15 | 179.2° | 180.0° |
| C5 | C27 | C21 | C18 | 179.0° | 180.0° |
| C5 | C27 | C21 | C24 | 179.5° | 180.0° |
| C5 | C27 | C21 | H21 | 0.5° | 0.0° |
| C27 | C5 | C1 | C2 | 178.1° | 179.8° |
| C27 | C5 | C1 | C31 | 3.4° | 0.4° |
| C5 | C27 | C18 | H18 | 0.8° | 0.0° |
| C13 | C6 | C14 | H6 | 115.5° | 120.0° |
| C6 | C13 | H131 | H132 | 120.0° | 119.9° |
| C6 | C13 | H131 | H133 | 120.0° | 120.0° |
| C6 | C13 | H132 | H133 | 120.0° | 119.9° |
| C13 | C6 | C14 | H141 | 127.5° | 180.0° |
| C13 | C6 | C14 | H142 | 7.5° | 60.0° |
| C13 | C6 | C14 | H143 | 112.6° | 60.0° |
| C14 | C6 | C13 | H131 | 112.8° | 60.0° |
| C14 | C6 | C13 | H132 | 127.2° | 60.0° |
| C14 | C6 | C13 | H133 | 7.2° | 180.0° |
| C6 | C14 | H141 | H142 | 120.0° | 120.0° |
| C6 | C14 | H141 | H143 | 120.0° | 120.0° |
| C6 | C14 | H142 | H143 | 120.0° | 120.0° |
| H6 | C6 | C13 | H131 | 129.8° | 180.0° |
| H6 | C6 | C13 | H132 | 9.8° | 60.0° |
| H6 | C6 | C13 | H133 | 110.2° | 60.0° |
| H6 | C6 | C14 | H141 | 117.1° | 60.0° |
| H6 | C6 | C14 | H142 | 122.9° | 60.1° |
| H6 | C6 | C14 | H143 | 2.9° | 180.0° |
| C8 | C7 | C12 | H71 | 120.0° | 120.0° |
| C8 | C7 | C12 | H72 | 117.9° | 120.0° |
| C8 | C7 | H71 | H72 | 118.0° | 120.0° |
| C7 | C8 | C9 | H81 | 120.0° | 120.0° |
| C7 | C8 | C9 | H82 | 121.0° | 120.0° |
| C7 | C8 | H81 | H82 | 121.0° | 120.0° |
| C7 | C8 | C9 | C10 | 165.4° | 175.0° |
| C7 | C8 | C9 | O4 | 73.7° | 65.0° |
| C7 | C8 | C9 | H9 | 46.0° | 55.0° |
| C12 | C7 | H71 | H72 | 118.1° | 120.0° |
| C12 | C7 | C8 | C9 | 169.7° | 180.0° |
| C12 | C7 | C8 | H81 | 70.3° | 60.0° |
| C12 | C7 | C8 | H82 | 48.7° | 60.0° |
| H71 | C7 | C8 | C9 | 70.3° | 60.0° |
| H71 | C7 | C8 | H81 | 49.7° | 60.0° |
| H71 | C7 | C8 | H82 | 168.7° | 180.0° |
| H72 | C7 | C8 | C9 | 51.8° | 60.0° |
| H72 | C7 | C8 | H81 | 171.8° | 180.0° |
| H72 | C7 | C8 | H82 | 69.2° | 60.0° |
| C9 | C8 | H81 | H82 | 121.0° | 120.0° |
| C8 | C9 | C10 | O4 | 120.1° | 120.1° |
| C8 | C9 | C10 | H9 | 120.2° | 119.9° |
| C8 | C9 | C10 | C11 | 77.5° | 175.0° |
| C8 | C9 | C10 | H101 | 162.6° | 65.0° |
| C8 | C9 | C10 | H102 | 41.8° | 54.9° |
| C8 | C9 | O4 | H9 | 120.2° | 120.0° |
| C8 | C9 | O4 | HO4 | 148.6° | 60.0° |
| H81 | C8 | C9 | C10 | 74.6° | 65.0° |
| H81 | C8 | C9 | O4 | 46.3° | 55.0° |
| H81 | C8 | C9 | H9 | 166.0° | 175.0° |
| H82 | C8 | C9 | C10 | 44.5° | 54.9° |
| H82 | C8 | C9 | O4 | 165.3° | 175.0° |
| H82 | C8 | C9 | H9 | 75.0° | 65.0° |
| C9 | C10 | C11 | H101 | 120.0° | 119.9° |
| C9 | C10 | C11 | H102 | 119.3° | 120.0° |
| C9 | C10 | H101 | H102 | 119.3° | 119.9° |
| C10 | C9 | O4 | H9 | 119.5° | 120.0° |
| C10 | C9 | O4 | HO4 | 91.1° | 60.1° |
| C9 | C10 | C11 | C35 | 171.7° | 175.0° |
| C9 | C10 | C11 | O3 | 67.3° | 65.0° |
| C9 | C10 | C11 | H11 | 51.5° | 55.0° |
| C11 | C10 | H101 | H102 | 119.3° | 120.1° |
| C11 | C10 | C9 | O4 | 162.5° | 64.9° |
| C11 | C10 | C9 | H9 | 42.7° | 55.1° |
| C10 | C11 | C35 | O3 | 121.2° | 120.0° |
| C10 | C11 | C35 | H11 | 120.1° | 120.0° |
| C10 | C11 | O3 | H11 | 120.1° | 120.0° |
| C10 | C11 | O3 | HO3 | 162.9° | 60.1° |
| C10 | C11 | C35 | C36 | 166.8° | 175.0° |
| C10 | C11 | C35 | H351 | 73.1° | 65.1° |
| C10 | C11 | C35 | H352 | 46.8° | 55.0° |
| H101 | C10 | C9 | O4 | 42.5° | 55.0° |
| H101 | C10 | C9 | H9 | 77.2° | 175.1° |
| H101 | C10 | C11 | C35 | 68.3° | 65.0° |
| H101 | C10 | C11 | O3 | 52.7° | 55.0° |
| H101 | C10 | C11 | H11 | 171.5° | 175.0° |
| H102 | C10 | C9 | O4 | 78.3° | 175.0° |
| H102 | C10 | C9 | H9 | 162.0° | 65.0° |
| H102 | C10 | C11 | C35 | 52.4° | 55.0° |
| H102 | C10 | C11 | O3 | 173.4° | 175.0° |
| H102 | C10 | C11 | H11 | 67.8° | 65.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.1° |
| C18 | C15 | C30 | H15 | 180.0° | 179.7° |
| C15 | C18 | C27 | C21 | 0.3° | 0.0° |
| C18 | C15 | C30 | C24 | 0.1° | 0.0° |
| C15 | C18 | C27 | H18 | 180.0° | 180.0° |
| C18 | C15 | C30 | F1 | 179.7° | 180.0° |
| C15 | C30 | C24 | C21 | 0.3° | 0.0° |
| C15 | C30 | C24 | F1 | 179.6° | 180.0° |
| C15 | C30 | C24 | H24 | 179.7° | 180.0° |
| C30 | C15 | C18 | C27 | 0.1° | 0.0° |
| C30 | C15 | C18 | H18 | 179.9° | 180.0° |
| H15 | C15 | C30 | C24 | 179.9° | 179.7° |
| H15 | C15 | C18 | C27 | 179.9° | 179.7° |
| H15 | C15 | C30 | F1 | 0.3° | 0.3° |
| H15 | C15 | C18 | H18 | 0.1° | 0.2° |
| C29 | C17 | C20 | H17 | 180.0° | 179.9° |
| C29 | C17 | C20 | C26 | 0.4° | 0.1° |
| C29 | C17 | C20 | N2 | 179.6° | 180.0° |
| C17 | C29 | C23 | H29 | 180.0° | 179.9° |
| C17 | C29 | C23 | H23 | 180.0° | 180.0° |
| C17 | C20 | C26 | N2 | 179.2° | 179.9° |
| C17 | C20 | C26 | H26 | 179.3° | 180.0° |
| C17 | C20 | N2 | C3 | 74.4° | 90.2° |
| C17 | C20 | N2 | C16 | 106.2° | 90.0° |
| C20 | C17 | C29 | C23 | 0.1° | 0.1° |
| C20 | C17 | C29 | H29 | 180.0° | 180.0° |
| H17 | C17 | C20 | C26 | 179.6° | 180.0° |
| H17 | C17 | C20 | N2 | 0.4° | 0.1° |
| H17 | C17 | C29 | C23 | 180.0° | 180.0° |
| H17 | C17 | C29 | H29 | 0.0° | 0.1° |
| C26 | C20 | N2 | C3 | 104.8° | 89.9° |
| C26 | C20 | N2 | C16 | 74.6° | 89.8° |
| N2 | C20 | C26 | H26 | 0.1° | 0.1° |
| C20 | N2 | C3 | O1 | 0.6° | 0.0° |
| C20 | N2 | C3 | C2 | 179.5° | 180.0° |
| C20 | N2 | C3 | C16 | 179.4° | 179.8° |
| C20 | N2 | C16 | C31 | 179.6° | 180.0° |
| C20 | N2 | C16 | C19 | 0.5° | 0.0° |
| C27 | C21 | C24 | H21 | 180.0° | 180.0° |
| C27 | C21 | C24 | C30 | 0.5° | 0.0° |
| C27 | C21 | C24 | H24 | 179.5° | 180.0° |
| C21 | C27 | C18 | H18 | 179.7° | 180.0° |
| C21 | C24 | C30 | H24 | 180.0° | 180.0° |
| C24 | C21 | C27 | C18 | 0.5° | 0.0° |
| C21 | C24 | C30 | F1 | 180.0° | 180.0° |
| H21 | C21 | C24 | C30 | 179.5° | 180.0° |
| H21 | C21 | C24 | H24 | 0.5° | 0.0° |
| H21 | C21 | C27 | C18 | 179.4° | 180.0° |
| C25 | C22 | C28 | H22 | 180.0° | 179.9° |
| C25 | C22 | C28 | C19 | 0.0° | 0.1° |
| C25 | C22 | C28 | H28 | 180.0° | 180.0° |
| C22 | C25 | C31 | C1 | 179.7° | 180.0° |
| C22 | C25 | C31 | C16 | 0.1° | 0.1° |
| C22 | C25 | C31 | H25 | 180.0° | 179.9° |
| C22 | C28 | C19 | H28 | 180.0° | 179.9° |
| C28 | C22 | C25 | C31 | 0.0° | 0.0° |
| C28 | C22 | C25 | H25 | 179.9° | 180.0° |
| C22 | C28 | C19 | C16 | 0.1° | 0.1° |
| C22 | C28 | C19 | H19 | 179.9° | 179.9° |
| H22 | C22 | C28 | C19 | 180.0° | 179.9° |
| H22 | C22 | C28 | H28 | 0.0° | 0.0° |
| H22 | C22 | C25 | C31 | 180.0° | 180.0° |
| H22 | C22 | C25 | H25 | 0.1° | 0.1° |
| H24 | C24 | C30 | F1 | 0.1° | 0.0° |
| C28 | C19 | C16 | C31 | 0.2° | 0.0° |
| C28 | C19 | C16 | N2 | 179.7° | 180.0° |
| C28 | C19 | C16 | H19 | 180.0° | 179.9° |
| H28 | C28 | C19 | C16 | 179.9° | 180.0° |
| H28 | C28 | C19 | H19 | 0.1° | 0.1° |
| O1 | C3 | C2 | N2 | 180.0° | 180.0° |
| O1 | C3 | C2 | C1 | 179.7° | 180.0° |
| O1 | C3 | N2 | C16 | 179.9° | 179.8° |
| C3 | C2 | C1 | C31 | 0.6° | 0.2° |
| C2 | C3 | N2 | C16 | 0.1° | 0.2° |
| N2 | C3 | C2 | C1 | 0.3° | 0.0° |
| C3 | N2 | C16 | C31 | 0.2° | 0.2° |
| C3 | N2 | C16 | C19 | 179.9° | 179.8° |
| C2 | C1 | C31 | C16 | 0.5° | 0.2° |
| C2 | C1 | C31 | C25 | 179.9° | 179.7° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| C1 | C31 | C16 | C25 | 179.6° | 179.9° |
| C1 | C31 | C25 | H25 | 0.2° | 0.1° |
| C1 | C31 | C16 | N2 | 0.1° | 0.0° |
| C1 | C31 | C16 | C19 | 179.8° | 180.0° |
| C16 | C31 | C25 | H25 | 179.9° | 180.0° |
| C31 | C16 | N2 | C19 | 179.9° | 180.0° |
| C31 | C16 | C19 | H19 | 179.8° | 179.9° |
| C25 | C31 | C16 | N2 | 179.7° | 179.9° |
| C25 | C31 | C16 | C19 | 0.2° | 0.1° |
| N2 | C16 | C19 | H19 | 0.3° | 0.1° |
| H23 | C23 | C29 | H29 | 0.0° | 0.1° |
| H9 | C9 | O4 | HO4 | 28.3° | 179.9° |
| C35 | C11 | O3 | H11 | 120.2° | 120.0° |
| C35 | C11 | O3 | HO3 | 77.4° | 59.9° |
| C11 | C35 | C36 | H351 | 120.0° | 120.0° |
| C11 | C35 | C36 | H352 | 120.1° | 120.0° |
| C11 | C35 | H351 | H352 | 120.1° | 120.1° |
| C11 | C35 | C36 | O6 | 73.6° | 0.0° |
| C11 | C35 | C36 | O7 | 106.4° | 180.0° |
| O3 | C11 | C35 | C36 | 72.0° | 65.0° |
| O3 | C11 | C35 | H351 | 48.0° | 54.9° |
| O3 | C11 | C35 | H352 | 167.9° | 175.0° |
| H11 | C11 | O3 | HO3 | 42.8° | 180.0° |
| H11 | C11 | C35 | C36 | 46.7° | 55.0° |
| H11 | C11 | C35 | H351 | 166.8° | 175.0° |
| H11 | C11 | C35 | H352 | 73.3° | 65.0° |
| C36 | C35 | H351 | H352 | 120.0° | 120.0° |
| C35 | C36 | O6 | O7 | 180.0° | 180.0° |
| C35 | C36 | O7 | HO7 | 180.0° | 180.0° |
| H351 | C35 | C36 | O6 | 166.4° | 120.0° |
| H351 | C35 | C36 | O7 | 13.6° | 60.0° |
| H352 | C35 | C36 | O6 | 46.5° | 120.0° |
| H352 | C35 | C36 | O7 | 133.5° | 60.0° |
| O6 | C36 | O7 | HO7 | 0.0° | 0.0° |
