882
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.38Å | 1.36Å | Aromatic |
| N1 | C4 | sing | 1.36Å | 1.36Å | Aromatic |
| N1 | C6 | sing | 1.47Å | 1.49Å | |
| C4 | C5 | doub | 1.36Å | 1.37Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.51Å | |
| C5 | C27 | sing | 1.48Å | 1.49Å | Aromatic |
| C5 | C1 | sing | 1.42Å | 1.36Å | Aromatic |
| C6 | C13 | sing | 1.53Å | 1.53Å | |
| C6 | C14 | sing | 1.53Å | 1.52Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| 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 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| 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 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | F2 | sing | 1.35Å | 1.33Å | |
| C28 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| O7 | C36 | sing | 1.34Å | 1.25Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C36 | O6 | doub | 1.21Å | 1.26Å | |
| C36 | C35 | sing | 1.51Å | 1.51Å | |
| C35 | C11 | sing | 1.53Å | 1.52Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C11 | O3 | sing | 1.43Å | 1.42Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C9 | O4 | sing | 1.43Å | 1.41Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C27 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | F1 | sing | 1.35Å | 1.34Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C2 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.46Å | 1.49Å | |
| C1 | C31 | sing | 1.48Å | 1.49Å | Aromatic |
| C31 | C25 | doub | 1.40Å | 1.39Å | Aromatic |
| C31 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C19 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C3 | N2 | sing | 1.35Å | 1.33Å | |
| C3 | O1 | doub | 1.22Å | 1.23Å | |
| N2 | C32 | sing | 1.40Å | 1.42Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C23 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C4 | 110.2° | 109.2° |
| C2 | N1 | C6 | 126.8° | 125.4° |
| N1 | C2 | C1 | 106.5° | 107.6° |
| N1 | C2 | C3 | 129.6° | 126.2° |
| C4 | N1 | C6 | 123.0° | 125.4° |
| N1 | C4 | C5 | 106.2° | 109.1° |
| N1 | C4 | C7 | 128.6° | 125.4° |
| N1 | C6 | C13 | 112.0° | 109.5° |
| N1 | C6 | C14 | 109.7° | 109.4° |
| N1 | C6 | H6 | 108.4° | 109.4° |
| C5 | C4 | C7 | 125.0° | 125.5° |
| C4 | C5 | C27 | 123.9° | 126.2° |
| C4 | C5 | C1 | 109.2° | 107.5° |
| C4 | C7 | C8 | 113.3° | 109.5° |
| C4 | C7 | H71 | 108.2° | 109.4° |
| C4 | C7 | H72 | 107.3° | 109.4° |
| C27 | C5 | C1 | 126.4° | 126.3° |
| C5 | C27 | C21 | 114.2° | 120.1° |
| C5 | C27 | C18 | 125.8° | 120.1° |
| C5 | C1 | C2 | 107.6° | 106.6° |
| C5 | C1 | C31 | 121.4° | 126.7° |
| C13 | C6 | C14 | 111.9° | 109.5° |
| C13 | C6 | H6 | 106.0° | 109.5° |
| C6 | C13 | H131 | 109.5° | 109.5° |
| C6 | C13 | H132 | 109.5° | 109.4° |
| C6 | C13 | H133 | 109.5° | 109.5° |
| C14 | C6 | H6 | 108.5° | 109.5° |
| C6 | C14 | H141 | 109.5° | 109.5° |
| C6 | C14 | H142 | 109.5° | 109.4° |
| C6 | C14 | H143 | 109.5° | 109.5° |
| C8 | C7 | H71 | 108.2° | 109.5° |
| C8 | C7 | H72 | 107.3° | 109.5° |
| C7 | C8 | C9 | 108.7° | 109.5° |
| C7 | C8 | H81 | 109.7° | 109.5° |
| C7 | C8 | H82 | 109.9° | 109.5° |
| H71 | C7 | H72 | 112.5° | 109.4° |
| C9 | C8 | H81 | 109.7° | 109.4° |
| C9 | C8 | H82 | 109.9° | 109.5° |
| C8 | C9 | C10 | 108.4° | 109.5° |
| C8 | C9 | O4 | 109.2° | 109.5° |
| C8 | C9 | H9 | 110.5° | 109.5° |
| H81 | C8 | H82 | 108.9° | 109.5° |
| C11 | C10 | C9 | 109.7° | 109.4° |
| C11 | C10 | H101 | 109.4° | 109.5° |
| C11 | C10 | H102 | 109.3° | 109.5° |
| C10 | C11 | C35 | 109.5° | 109.5° |
| C10 | C11 | O3 | 107.2° | 109.5° |
| C10 | C11 | H11 | 112.0° | 109.5° |
| C9 | C10 | H101 | 109.4° | 109.5° |
| C9 | C10 | H102 | 109.3° | 109.4° |
| C10 | C9 | O4 | 109.7° | 109.5° |
| C10 | C9 | H9 | 109.9° | 109.5° |
| H101 | C10 | H102 | 109.7° | 109.5° |
| H131 | C13 | H132 | 109.4° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| C30 | C15 | C18 | 120.4° | 120.1° |
| C30 | C15 | H15 | 119.8° | 120.0° |
| C15 | C30 | C24 | 120.5° | 120.2° |
| C15 | C30 | F1 | 121.6° | 119.9° |
| C18 | C15 | H15 | 119.8° | 119.9° |
| C15 | C18 | C27 | 118.9° | 119.9° |
| C15 | C18 | H18 | 120.6° | 120.1° |
| C32 | C17 | C20 | 120.0° | 119.9° |
| C32 | C17 | H17 | 120.0° | 120.0° |
| C17 | C32 | C26 | 118.6° | 119.9° |
| C17 | C32 | N2 | 123.0° | 120.1° |
| C20 | C17 | H17 | 120.0° | 120.1° |
| C17 | C20 | C29 | 121.0° | 120.1° |
| C17 | C20 | H20 | 119.5° | 119.9° |
| C29 | C20 | H20 | 119.5° | 120.0° |
| C20 | C29 | C23 | 119.2° | 120.1° |
| C20 | C29 | H29 | 120.4° | 120.0° |
| C24 | C21 | C27 | 121.2° | 119.9° |
| C24 | C21 | H21 | 119.4° | 120.0° |
| C21 | C24 | C30 | 119.2° | 120.1° |
| C21 | C24 | H24 | 120.4° | 120.0° |
| C27 | C21 | H21 | 119.4° | 120.1° |
| C21 | C27 | C18 | 120.0° | 119.8° |
| C28 | C22 | C25 | 120.1° | 120.1° |
| C28 | C22 | H22 | 120.0° | 119.9° |
| C22 | C28 | F2 | 118.9° | 119.9° |
| C22 | C28 | C19 | 120.4° | 120.2° |
| C25 | C22 | H22 | 120.0° | 120.0° |
| C22 | C25 | C31 | 120.2° | 119.9° |
| C22 | C25 | H25 | 119.9° | 120.0° |
| C30 | C24 | H24 | 120.4° | 120.0° |
| C24 | C30 | F1 | 118.0° | 119.9° |
| C32 | C26 | C23 | 121.2° | 119.9° |
| C32 | C26 | H26 | 119.4° | 120.1° |
| C26 | C32 | N2 | 118.5° | 120.0° |
| C23 | C26 | H26 | 119.4° | 120.1° |
| C26 | C23 | C29 | 119.9° | 120.1° |
| C26 | C23 | H23 | 120.0° | 119.9° |
| F2 | C28 | C19 | 120.8° | 119.9° |
| C28 | C19 | C16 | 119.4° | 120.1° |
| C28 | C19 | H19 | 120.3° | 119.9° |
| C36 | O7 | HO7 | 109.5° | 117.0° |
| O7 | C36 | O6 | 123.2° | 120.0° |
| O7 | C36 | C35 | 117.5° | 120.0° |
| O6 | C36 | C35 | 119.4° | 119.9° |
| C36 | C35 | C11 | 110.1° | 109.5° |
| C36 | C35 | H351 | 109.2° | 109.5° |
| C36 | C35 | H352 | 109.1° | 109.5° |
| C11 | C35 | H351 | 109.3° | 109.4° |
| C11 | C35 | H352 | 109.1° | 109.5° |
| C35 | C11 | O3 | 112.4° | 109.4° |
| C35 | C11 | H11 | 106.8° | 109.5° |
| H351 | C35 | H352 | 110.0° | 109.5° |
| O3 | C11 | H11 | 109.0° | 109.5° |
| C11 | O3 | HO3 | 109.5° | 114.0° |
| O4 | C9 | H9 | 109.2° | 109.4° |
| C9 | O4 | HO4 | 109.5° | 114.0° |
| C27 | C18 | H18 | 120.6° | 120.0° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.4° | 109.5° |
| C1 | C2 | C3 | 123.6° | 126.1° |
| C2 | C1 | C31 | 130.6° | 126.7° |
| C2 | C3 | N2 | 122.1° | 120.1° |
| C2 | C3 | O1 | 115.1° | 120.0° |
| C1 | C31 | C25 | 121.9° | 120.1° |
| C1 | C31 | C16 | 118.0° | 120.1° |
| C25 | C31 | C16 | 119.9° | 119.8° |
| C31 | C25 | H25 | 119.9° | 120.1° |
| C31 | C16 | C19 | 120.1° | 119.9° |
| C31 | C16 | H16 | 120.0° | 120.0° |
| C16 | C19 | H19 | 120.3° | 120.0° |
| C19 | C16 | H16 | 120.0° | 120.1° |
| N2 | C3 | O1 | 122.4° | 120.0° |
| C3 | N2 | C32 | 123.1° | 120.1° |
| C3 | N2 | HN2 | 118.4° | 120.0° |
| C32 | N2 | HN2 | 118.5° | 120.0° |
| C29 | C23 | H23 | 120.0° | 120.0° |
| C23 | C29 | H29 | 120.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C4 | C6 | 178.7° | 179.7° |
| C2 | N1 | C4 | C5 | 1.1° | 0.1° |
| C2 | N1 | C4 | C7 | 176.4° | 180.0° |
| N1 | C2 | C1 | C5 | 5.1° | 0.0° |
| C2 | N1 | C6 | C13 | 68.0° | 53.4° |
| C2 | N1 | C6 | C14 | 57.0° | 66.6° |
| C2 | N1 | C6 | H6 | 175.4° | 173.4° |
| N1 | C2 | C1 | C3 | 174.1° | 179.9° |
| N1 | C2 | C1 | C31 | 177.0° | 179.9° |
| N1 | C2 | C3 | N2 | 112.4° | 86.8° |
| N1 | C2 | C3 | O1 | 60.4° | 93.2° |
| N1 | C4 | C5 | C7 | 175.5° | 179.9° |
| N1 | C4 | C5 | C27 | 176.8° | 180.0° |
| N1 | C4 | C5 | C1 | 4.3° | 0.0° |
| C4 | N1 | C6 | C13 | 113.5° | 126.2° |
| C4 | N1 | C6 | C14 | 121.5° | 113.8° |
| C4 | N1 | C6 | H6 | 3.2° | 6.2° |
| N1 | C4 | C7 | C8 | 73.9° | 89.9° |
| N1 | C4 | C7 | H71 | 166.0° | 150.0° |
| N1 | C4 | C7 | H72 | 44.4° | 30.1° |
| C4 | N1 | C2 | C1 | 2.5° | 0.1° |
| C4 | N1 | C2 | C3 | 176.1° | 180.0° |
| C6 | N1 | C4 | C5 | 177.6° | 179.7° |
| C6 | N1 | C4 | C7 | 2.3° | 0.4° |
| N1 | C6 | C13 | C14 | 123.7° | 120.0° |
| N1 | C6 | C13 | H6 | 118.1° | 120.0° |
| N1 | C6 | C14 | H6 | 118.3° | 119.9° |
| N1 | C6 | C13 | H131 | 162.3° | 66.8° |
| N1 | C6 | C13 | H132 | 77.7° | 173.3° |
| N1 | C6 | C13 | H133 | 42.3° | 53.3° |
| N1 | C6 | C14 | H141 | 176.5° | 55.1° |
| N1 | C6 | C14 | H142 | 56.5° | 175.1° |
| N1 | C6 | C14 | H143 | 63.4° | 64.9° |
| C6 | N1 | C2 | C1 | 178.9° | 179.7° |
| C6 | N1 | C2 | C3 | 5.2° | 0.3° |
| C4 | C5 | C27 | C1 | 171.1° | 180.0° |
| C5 | C4 | C7 | C8 | 111.6° | 90.0° |
| C5 | C4 | C7 | H71 | 8.5° | 30.1° |
| C5 | C4 | C7 | H72 | 130.1° | 150.0° |
| C4 | C5 | C27 | C21 | 62.5° | 115.0° |
| C4 | C5 | C27 | C18 | 119.3° | 65.0° |
| C4 | C5 | C1 | C2 | 5.9° | 0.0° |
| C4 | C5 | C1 | C31 | 178.7° | 179.9° |
| C7 | C4 | C5 | C27 | 7.7° | 0.0° |
| C7 | C4 | C5 | C1 | 179.9° | 180.0° |
| C4 | C7 | C8 | H71 | 120.0° | 120.0° |
| C4 | C7 | C8 | H72 | 118.3° | 120.0° |
| C4 | C7 | H71 | H72 | 118.4° | 119.9° |
| C4 | C7 | C8 | C9 | 168.0° | 180.0° |
| C4 | C7 | C8 | H81 | 72.0° | 60.0° |
| C4 | C7 | C8 | H82 | 47.7° | 60.0° |
| C5 | C27 | C18 | C15 | 179.0° | 180.0° |
| C5 | C27 | C21 | C24 | 179.4° | 180.0° |
| C5 | C27 | C21 | C18 | 178.3° | 180.0° |
| C5 | C27 | C21 | H21 | 0.6° | 0.0° |
| C5 | C27 | C18 | H18 | 0.9° | 0.0° |
| C27 | C5 | C1 | C2 | 178.1° | 180.0° |
| C27 | C5 | C1 | C31 | 9.1° | 0.1° |
| C1 | C5 | C27 | C21 | 108.6° | 65.0° |
| C1 | C5 | C27 | C18 | 69.7° | 115.0° |
| C5 | C1 | C2 | C31 | 171.9° | 179.9° |
| C5 | C1 | C2 | C3 | 179.2° | 180.0° |
| C5 | C1 | C31 | C25 | 63.9° | 115.1° |
| C5 | C1 | C31 | C16 | 110.6° | 65.0° |
| C13 | C6 | C14 | H6 | 116.7° | 120.1° |
| C6 | C13 | H131 | H132 | 120.0° | 120.0° |
| C6 | C13 | H131 | H133 | 120.0° | 120.0° |
| C6 | C13 | H132 | H133 | 120.0° | 120.0° |
| C13 | C6 | C14 | H141 | 58.5° | 175.1° |
| C13 | C6 | C14 | H142 | 178.5° | 64.9° |
| C13 | C6 | C14 | H143 | 61.6° | 55.1° |
| C14 | C6 | C13 | H131 | 74.0° | 53.2° |
| C14 | C6 | C13 | H132 | 46.0° | 66.8° |
| C14 | C6 | C13 | H133 | 166.0° | 173.2° |
| 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 | 44.2° | 173.3° |
| H6 | C6 | C13 | H132 | 164.2° | 53.3° |
| H6 | C6 | C13 | H133 | 75.8° | 66.7° |
| H6 | C6 | C14 | H141 | 58.2° | 64.8° |
| H6 | C6 | C14 | H142 | 61.8° | 55.2° |
| H6 | C6 | C14 | H143 | 178.2° | 175.1° |
| C8 | C7 | H71 | H72 | 118.4° | 120.0° |
| C7 | C8 | C9 | H81 | 120.0° | 120.0° |
| C7 | C8 | C9 | H82 | 120.3° | 120.0° |
| C7 | C8 | H81 | H82 | 120.3° | 120.0° |
| C7 | C8 | C9 | C10 | 154.1° | 175.0° |
| C7 | C8 | C9 | O4 | 86.4° | 65.0° |
| C7 | C8 | C9 | H9 | 33.7° | 55.0° |
| H71 | C7 | C8 | C9 | 48.0° | 60.0° |
| H71 | C7 | C8 | H81 | 167.9° | 180.0° |
| H71 | C7 | C8 | H82 | 72.3° | 60.0° |
| H72 | C7 | C8 | C9 | 73.7° | 60.0° |
| H72 | C7 | C8 | H81 | 46.3° | 60.0° |
| H72 | C7 | C8 | H82 | 166.0° | 180.0° |
| C9 | C8 | H81 | H82 | 120.3° | 120.0° |
| C8 | C9 | C10 | C11 | 79.8° | 175.0° |
| C8 | C9 | C10 | O4 | 119.2° | 120.0° |
| C8 | C9 | C10 | H9 | 120.8° | 120.0° |
| C8 | C9 | C10 | H101 | 40.2° | 55.0° |
| C8 | C9 | C10 | H102 | 160.4° | 65.0° |
| C8 | C9 | O4 | H9 | 120.8° | 120.0° |
| C8 | C9 | O4 | HO4 | 114.6° | 60.1° |
| H81 | C8 | C9 | C10 | 85.9° | 65.0° |
| H81 | C8 | C9 | O4 | 33.6° | 55.0° |
| H81 | C8 | C9 | H9 | 153.7° | 175.0° |
| H82 | C8 | C9 | C10 | 33.8° | 55.0° |
| H82 | C8 | C9 | O4 | 153.3° | 175.1° |
| H82 | C8 | C9 | H9 | 86.6° | 65.0° |
| C11 | C10 | C9 | H101 | 120.0° | 120.0° |
| C11 | C10 | C9 | H102 | 119.9° | 120.0° |
| C11 | C10 | H101 | H102 | 119.9° | 120.0° |
| C10 | C11 | C35 | C36 | 171.4° | 175.0° |
| C10 | C11 | C35 | O3 | 119.0° | 120.0° |
| C10 | C11 | C35 | H11 | 121.5° | 120.0° |
| C10 | C11 | C35 | H351 | 51.4° | 55.0° |
| C10 | C11 | C35 | H352 | 68.9° | 65.0° |
| C10 | C11 | O3 | H11 | 121.5° | 120.0° |
| C10 | C11 | O3 | HO3 | 157.9° | 60.0° |
| C11 | C10 | C9 | O4 | 161.1° | 65.0° |
| C11 | C10 | C9 | H9 | 41.0° | 55.0° |
| C9 | C10 | H101 | H102 | 119.9° | 120.0° |
| C9 | C10 | C11 | C35 | 168.5° | 175.0° |
| C9 | C10 | C11 | O3 | 69.3° | 65.0° |
| C9 | C10 | C11 | H11 | 50.3° | 55.0° |
| C10 | C9 | O4 | H9 | 120.5° | 120.0° |
| C10 | C9 | O4 | HO4 | 4.1° | 59.9° |
| H101 | C10 | C11 | C35 | 48.5° | 55.0° |
| H101 | C10 | C11 | O3 | 170.7° | 175.0° |
| H101 | C10 | C11 | H11 | 69.7° | 65.0° |
| H101 | C10 | C9 | O4 | 78.9° | 175.0° |
| H101 | C10 | C9 | H9 | 161.0° | 65.0° |
| H102 | C10 | C11 | C35 | 71.6° | 65.0° |
| H102 | C10 | C11 | O3 | 50.6° | 54.9° |
| H102 | C10 | C11 | H11 | 170.2° | 175.0° |
| H102 | C10 | C9 | O4 | 41.2° | 55.0° |
| H102 | C10 | C9 | H9 | 78.8° | 175.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| C30 | C15 | C18 | H15 | 180.0° | 179.6° |
| C15 | C30 | C24 | C21 | 0.1° | 0.1° |
| C15 | C30 | C24 | F1 | 179.5° | 179.9° |
| C15 | C30 | C24 | H24 | 179.9° | 180.0° |
| C30 | C15 | C18 | C27 | 0.4° | 0.0° |
| C30 | C15 | C18 | H18 | 179.6° | 179.9° |
| C15 | C18 | C27 | C21 | 0.9° | 0.0° |
| C18 | C15 | C30 | C24 | 0.1° | 0.1° |
| C15 | C18 | C27 | H18 | 180.0° | 180.0° |
| C18 | C15 | C30 | F1 | 179.4° | 180.0° |
| H15 | C15 | C30 | C24 | 179.9° | 179.7° |
| H15 | C15 | C18 | C27 | 179.6° | 179.7° |
| H15 | C15 | C30 | F1 | 0.6° | 0.4° |
| H15 | C15 | C18 | H18 | 0.4° | 0.3° |
| C32 | C17 | C20 | H17 | 180.0° | 179.8° |
| C32 | C17 | C20 | C29 | 0.1° | 0.0° |
| C32 | C17 | C20 | H20 | 179.9° | 179.9° |
| C17 | C32 | C26 | N2 | 179.5° | 179.9° |
| C17 | C32 | C26 | C23 | 0.2° | 0.0° |
| C17 | C32 | C26 | H26 | 179.8° | 180.0° |
| C17 | C32 | N2 | C3 | 41.7° | 147.9° |
| C17 | C32 | N2 | HN2 | 138.3° | 32.2° |
| C17 | C20 | C29 | H20 | 180.0° | 180.0° |
| C20 | C17 | C32 | C26 | 0.4° | 0.0° |
| C20 | C17 | C32 | N2 | 179.9° | 180.0° |
| C17 | C20 | C29 | C23 | 0.4° | 0.0° |
| C17 | C20 | C29 | H29 | 179.5° | 180.0° |
| H17 | C17 | C20 | C29 | 179.9° | 179.8° |
| H17 | C17 | C20 | H20 | 0.1° | 0.3° |
| H17 | C17 | C32 | C26 | 179.6° | 179.8° |
| H17 | C17 | C32 | N2 | 0.1° | 0.2° |
| C20 | C29 | C23 | C26 | 0.7° | 0.0° |
| C20 | C29 | C23 | H29 | 180.0° | 179.9° |
| C20 | C29 | C23 | H23 | 179.3° | 180.0° |
| H20 | C20 | C29 | C23 | 179.5° | 180.0° |
| H20 | C20 | C29 | H29 | 0.5° | 0.0° |
| C24 | C21 | C27 | H21 | 180.0° | 180.0° |
| C21 | C24 | C30 | H24 | 180.0° | 179.9° |
| C24 | C21 | C27 | C18 | 1.1° | 0.0° |
| C21 | C24 | C30 | F1 | 179.6° | 180.0° |
| C27 | C21 | C24 | C30 | 0.6° | 0.0° |
| C27 | C21 | C24 | H24 | 179.3° | 180.0° |
| C21 | C27 | C18 | H18 | 179.1° | 180.0° |
| H21 | C21 | C24 | C30 | 179.4° | 180.0° |
| H21 | C21 | C24 | H24 | 0.7° | 0.0° |
| H21 | C21 | C27 | C18 | 178.9° | 180.0° |
| C28 | C22 | C25 | H22 | 180.0° | 179.6° |
| C22 | C28 | F2 | C19 | 179.9° | 180.0° |
| C28 | C22 | C25 | C31 | 2.1° | 0.1° |
| C28 | C22 | C25 | H25 | 177.9° | 180.0° |
| C22 | C28 | C19 | C16 | 0.5° | 0.1° |
| C22 | C28 | C19 | H19 | 179.6° | 180.0° |
| C25 | C22 | C28 | F2 | 179.4° | 179.9° |
| C25 | C22 | C28 | C19 | 0.5° | 0.1° |
| C22 | C25 | C31 | C1 | 178.0° | 180.0° |
| C22 | C25 | C31 | H25 | 180.0° | 179.9° |
| C22 | C25 | C31 | C16 | 3.6° | 0.1° |
| H22 | C22 | C28 | F2 | 0.6° | 0.3° |
| H22 | C22 | C28 | C19 | 179.5° | 179.7° |
| H22 | C22 | C25 | C31 | 177.9° | 179.7° |
| H22 | C22 | C25 | H25 | 2.1° | 0.4° |
| H24 | C24 | C30 | F1 | 0.4° | 0.1° |
| C32 | C26 | C23 | H26 | 180.0° | 180.0° |
| C26 | C32 | N2 | C3 | 138.8° | 32.1° |
| C26 | C32 | N2 | HN2 | 41.2° | 147.9° |
| C32 | C26 | C23 | C29 | 0.3° | 0.0° |
| C32 | C26 | C23 | H23 | 179.7° | 180.0° |
| C23 | C26 | C32 | N2 | 179.7° | 179.9° |
| C26 | C23 | C29 | H23 | 180.0° | 180.0° |
| C26 | C23 | C29 | H29 | 179.3° | 179.9° |
| H26 | C26 | C32 | N2 | 0.2° | 0.0° |
| H26 | C26 | C23 | C29 | 179.7° | 180.0° |
| H26 | C26 | C23 | H23 | 0.3° | 0.1° |
| F2 | C28 | C19 | C16 | 179.5° | 179.9° |
| F2 | C28 | C19 | H19 | 0.5° | 0.0° |
| C28 | C19 | C16 | C31 | 2.0° | 0.1° |
| C28 | C19 | C16 | H19 | 180.0° | 179.9° |
| C28 | C19 | C16 | H16 | 178.0° | 180.0° |
| O7 | C36 | O6 | C35 | 179.7° | 179.9° |
| O7 | C36 | C35 | C11 | 108.6° | 180.0° |
| O7 | C36 | C35 | H351 | 131.3° | 60.0° |
| O7 | C36 | C35 | H352 | 11.1° | 60.0° |
| HO7 | O7 | C36 | O6 | 0.0° | 0.1° |
| HO7 | O7 | C36 | C35 | 179.6° | 180.0° |
| O6 | C36 | C35 | C11 | 71.0° | 0.0° |
| O6 | C36 | C35 | H351 | 49.0° | 120.0° |
| O6 | C36 | C35 | H352 | 169.3° | 120.0° |
| C36 | C35 | C11 | H351 | 120.0° | 120.0° |
| C36 | C35 | C11 | H352 | 119.7° | 120.0° |
| C36 | C35 | H351 | H352 | 119.7° | 120.0° |
| C36 | C35 | C11 | O3 | 69.6° | 65.0° |
| C36 | C35 | C11 | H11 | 50.0° | 55.0° |
| C11 | C35 | H351 | H352 | 119.7° | 120.0° |
| C35 | C11 | O3 | H11 | 118.2° | 120.0° |
| C35 | C11 | O3 | HO3 | 81.8° | 60.0° |
| H351 | C35 | C11 | O3 | 170.5° | 175.0° |
| H351 | C35 | C11 | H11 | 70.0° | 65.0° |
| H352 | C35 | C11 | O3 | 50.2° | 55.0° |
| H352 | C35 | C11 | H11 | 169.7° | 175.0° |
| H11 | C11 | O3 | HO3 | 36.4° | 180.0° |
| H9 | C9 | O4 | HO4 | 124.5° | 180.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| C2 | C1 | C31 | C25 | 125.1° | 65.0° |
| C2 | C1 | C31 | C16 | 60.3° | 114.9° |
| C1 | C2 | C3 | N2 | 74.9° | 93.1° |
| C1 | C2 | C3 | O1 | 112.3° | 86.9° |
| C3 | C2 | C1 | C31 | 8.9° | 0.1° |
| C2 | C3 | N2 | O1 | 172.2° | 180.0° |
| C2 | C3 | N2 | C32 | 170.6° | 173.0° |
| C2 | C3 | N2 | HN2 | 9.5° | 7.0° |
| C1 | C31 | C25 | C16 | 174.5° | 179.9° |
| C1 | C31 | C25 | H25 | 2.0° | 0.0° |
| C1 | C31 | C16 | C19 | 178.2° | 180.0° |
| C1 | C31 | C16 | H16 | 1.8° | 0.1° |
| C25 | C31 | C16 | C19 | 3.5° | 0.1° |
| C25 | C31 | C16 | H16 | 176.5° | 180.0° |
| C16 | C31 | C25 | H25 | 176.4° | 180.0° |
| C31 | C16 | C19 | H16 | 180.0° | 179.9° |
| C31 | C16 | C19 | H19 | 178.1° | 180.0° |
| H19 | C19 | C16 | H16 | 2.0° | 0.1° |
| C3 | N2 | C32 | HN2 | 180.0° | 180.0° |
| O1 | C3 | N2 | C32 | 1.7° | 7.0° |
| O1 | C3 | N2 | HN2 | 178.3° | 173.0° |
| H23 | C23 | C29 | H29 | 0.7° | 0.0° |
