TZI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C32 | sing | 1.40Å | 1.36Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.55Å | |
| C30 | N2 | sing | 1.47Å | 1.17Å | |
| N2 | C29 | sing | 1.49Å | 1.37Å | |
| N2 | C28 | sing | 1.48Å | 1.39Å | |
| C29 | C26 | sing | 1.55Å | 1.49Å | |
| C28 | C27 | sing | 1.54Å | 1.47Å | |
| C26 | C27 | sing | 1.55Å | 1.37Å | |
| C26 | C25 | sing | 1.53Å | 1.60Å | |
| C25 | O3 | sing | 1.43Å | 1.40Å | |
| O3 | C22 | sing | 1.36Å | 1.40Å | |
| C22 | C21 | doub | 1.39Å | 1.31Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.52Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.52Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.31Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.31Å | Aromatic |
| C24 | C19 | sing | 1.38Å | 1.52Å | Aromatic |
| C19 | C9 | sing | 1.51Å | 1.50Å | |
| C17 | C18 | sing | 1.53Å | 1.46Å | |
| C17 | C8 | sing | 1.53Å | 1.55Å | |
| C2 | C1 | doub | 1.38Å | 1.30Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.51Å | Aromatic |
| O2 | C3 | sing | 1.36Å | 1.36Å | |
| C1 | C6 | sing | 1.39Å | 1.53Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.32Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.49Å | |
| C6 | C5 | doub | 1.38Å | 1.30Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.52Å | Aromatic |
| C9 | N1 | sing | 1.47Å | 1.41Å | |
| C18 | C8 | sing | 1.53Å | 1.54Å | |
| C5 | C7 | sing | 1.50Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | N1 | sing | 1.47Å | 1.45Å | |
| N1 | C10 | sing | 1.35Å | 1.45Å | |
| C10 | O1 | doub | 1.21Å | 1.13Å | |
| C10 | C11 | sing | 1.48Å | 1.54Å | |
| C12 | C11 | doub | 1.40Å | 1.28Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.52Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.51Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.31Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.30Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.52Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.09Å | 1.10Å | |
| O2 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C32 | C31 | 105.8° | 109.5° |
| F1 | C32 | H32 | 110.4° | 109.4° |
| F1 | C32 | H33 | 110.4° | 109.5° |
| C32 | C31 | C30 | 110.2° | 109.5° |
| C32 | C31 | H30 | 109.3° | 109.5° |
| C32 | C31 | H31 | 109.3° | 109.5° |
| C31 | C32 | H32 | 110.4° | 109.5° |
| C31 | C32 | H33 | 110.4° | 109.5° |
| C31 | C30 | N2 | 107.1° | 109.5° |
| C31 | C30 | H28 | 110.0° | 109.4° |
| C31 | C30 | H29 | 110.1° | 109.4° |
| C30 | C31 | H30 | 109.3° | 109.4° |
| C30 | C31 | H31 | 109.3° | 109.5° |
| C30 | N2 | C29 | 111.1° | 111.0° |
| C30 | N2 | C28 | 109.6° | 111.0° |
| N2 | C30 | H28 | 110.0° | 109.5° |
| N2 | C30 | H29 | 110.0° | 109.5° |
| C29 | N2 | C28 | 111.3° | 105.8° |
| N2 | C29 | C26 | 101.6° | 103.2° |
| N2 | C29 | H26 | 111.4° | 110.7° |
| N2 | C29 | H27 | 111.4° | 110.8° |
| N2 | C28 | C27 | 101.6° | 107.0° |
| N2 | C28 | H12 | 111.4° | 109.9° |
| N2 | C28 | H13 | 111.4° | 110.1° |
| C29 | C26 | C27 | 109.1° | 103.0° |
| C29 | C26 | C25 | 111.9° | 110.7° |
| C29 | C26 | H11 | 109.2° | 110.9° |
| C26 | C29 | H26 | 111.4° | 110.7° |
| C26 | C29 | H27 | 111.4° | 110.7° |
| C28 | C27 | C26 | 103.7° | 105.1° |
| C27 | C28 | H12 | 111.4° | 109.9° |
| C27 | C28 | H13 | 111.4° | 109.9° |
| C28 | C27 | H24 | 110.9° | 110.3° |
| C28 | C27 | H25 | 110.9° | 110.3° |
| C27 | C26 | C25 | 107.8° | 110.7° |
| C27 | C26 | H11 | 111.1° | 110.7° |
| C26 | C27 | H24 | 110.9° | 110.3° |
| C26 | C27 | H25 | 110.9° | 110.3° |
| C26 | C25 | O3 | 110.5° | 109.5° |
| C25 | C26 | H11 | 107.9° | 110.6° |
| C26 | C25 | H22 | 109.2° | 109.4° |
| C26 | C25 | H23 | 109.2° | 109.5° |
| C25 | O3 | C22 | 118.3° | 117.0° |
| O3 | C25 | H22 | 109.2° | 109.5° |
| O3 | C25 | H23 | 109.2° | 109.5° |
| O3 | C22 | C21 | 122.5° | 120.1° |
| O3 | C22 | C23 | 117.5° | 120.1° |
| C21 | C22 | C23 | 120.0° | 119.9° |
| C22 | C21 | C20 | 120.7° | 120.0° |
| C22 | C21 | H9 | 119.6° | 120.0° |
| C22 | C23 | C24 | 119.6° | 120.0° |
| C22 | C23 | H21 | 120.2° | 120.0° |
| C21 | C20 | C19 | 118.6° | 120.0° |
| C21 | C20 | H8 | 120.7° | 120.0° |
| C20 | C21 | H9 | 119.7° | 120.0° |
| C23 | C24 | C19 | 119.9° | 120.1° |
| C23 | C24 | H10 | 120.1° | 120.0° |
| C24 | C23 | H21 | 120.2° | 120.0° |
| C20 | C19 | C24 | 121.2° | 120.1° |
| C20 | C19 | C9 | 121.9° | 120.0° |
| C19 | C20 | H8 | 120.7° | 120.0° |
| C24 | C19 | C9 | 116.9° | 119.9° |
| C19 | C24 | H10 | 120.0° | 119.9° |
| C19 | C9 | C6 | 110.5° | 109.3° |
| C19 | C9 | N1 | 110.9° | 109.3° |
| C19 | C9 | H34 | 107.5° | 109.2° |
| C18 | C17 | C8 | 61.5° | 59.9° |
| C17 | C18 | C8 | 62.1° | 59.8° |
| C18 | C17 | H6 | 119.8° | 117.5° |
| C18 | C17 | H7 | 119.7° | 117.5° |
| C17 | C18 | H18 | 119.6° | 117.5° |
| C17 | C18 | H19 | 119.6° | 117.5° |
| C17 | C8 | C18 | 56.4° | 60.2° |
| C17 | C8 | C7 | 96.4° | 118.6° |
| C17 | C8 | N1 | 127.4° | 118.0° |
| C8 | C17 | H6 | 119.8° | 117.5° |
| C8 | C17 | H7 | 119.8° | 117.5° |
| C1 | C2 | C3 | 120.1° | 119.6° |
| C2 | C1 | C6 | 120.7° | 120.9° |
| C2 | C1 | H14 | 119.7° | 119.6° |
| C1 | C2 | H20 | 119.9° | 120.2° |
| C2 | C3 | O2 | 119.3° | 120.2° |
| C2 | C3 | C4 | 119.6° | 119.5° |
| C3 | C2 | H20 | 120.0° | 120.1° |
| O2 | C3 | C4 | 121.0° | 120.2° |
| C3 | O2 | H36 | 109.5° | 114.0° |
| C1 | C6 | C9 | 118.7° | 117.0° |
| C1 | C6 | C5 | 119.2° | 119.6° |
| C6 | C1 | H14 | 119.7° | 119.5° |
| C3 | C4 | C5 | 120.3° | 120.7° |
| C3 | C4 | H1 | 119.8° | 119.6° |
| C9 | C6 | C5 | 122.1° | 123.4° |
| C6 | C9 | N1 | 111.6° | 110.4° |
| C6 | C9 | H34 | 107.6° | 109.3° |
| C6 | C5 | C4 | 120.2° | 119.6° |
| C6 | C5 | C7 | 124.4° | 123.3° |
| C4 | C5 | C7 | 115.5° | 117.0° |
| C5 | C4 | H1 | 119.9° | 119.6° |
| C9 | N1 | C8 | 121.0° | 116.6° |
| C9 | N1 | C10 | 117.9° | 121.7° |
| N1 | C9 | H34 | 108.6° | 109.3° |
| C18 | C8 | C7 | 119.0° | 118.6° |
| C18 | C8 | N1 | 130.4° | 117.9° |
| C8 | C18 | H18 | 119.7° | 117.5° |
| C8 | C18 | H19 | 119.7° | 117.5° |
| C5 | C7 | C8 | 112.2° | 110.3° |
| C5 | C7 | H2 | 108.8° | 109.4° |
| C5 | C7 | H3 | 108.8° | 109.3° |
| C7 | C8 | N1 | 109.9° | 113.6° |
| C8 | C7 | H2 | 108.8° | 109.1° |
| C8 | C7 | H3 | 108.8° | 109.4° |
| C8 | N1 | C10 | 121.1° | 121.7° |
| N1 | C10 | O1 | 116.9° | 120.0° |
| N1 | C10 | C11 | 125.2° | 120.0° |
| O1 | C10 | C11 | 117.8° | 120.1° |
| C10 | C11 | C12 | 122.3° | 120.1° |
| C10 | C11 | C16 | 117.6° | 120.2° |
| C11 | C12 | C13 | 119.0° | 119.8° |
| C12 | C11 | C16 | 120.1° | 119.7° |
| C11 | C12 | H15 | 120.5° | 120.1° |
| C12 | C13 | C14 | 122.1° | 120.2° |
| C12 | C13 | H4 | 118.9° | 119.9° |
| C13 | C12 | H15 | 120.5° | 120.1° |
| C11 | C16 | C15 | 121.4° | 119.9° |
| C11 | C16 | H17 | 119.3° | 120.1° |
| C13 | C14 | C15 | 117.7° | 120.3° |
| C14 | C13 | H4 | 118.9° | 119.9° |
| C13 | C14 | H16 | 121.2° | 119.9° |
| C16 | C15 | C14 | 119.7° | 120.1° |
| C16 | C15 | H5 | 120.2° | 120.0° |
| C15 | C16 | H17 | 119.3° | 120.0° |
| C14 | C15 | H5 | 120.1° | 119.9° |
| C15 | C14 | H16 | 121.2° | 119.8° |
| H2 | C7 | H3 | 109.5° | 109.3° |
| H6 | C17 | H7 | 109.5° | 115.6° |
| H12 | C28 | H13 | 109.5° | 109.9° |
| H18 | C18 | H19 | 109.5° | 115.6° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 110.4° |
| H26 | C29 | H27 | 109.5° | 110.6° |
| H28 | C30 | H29 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.4° |
| H32 | C32 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C32 | C31 | H32 | 119.4° | 119.9° |
| F1 | C32 | C31 | H33 | 119.4° | 120.0° |
| F1 | C32 | C31 | C30 | 97.3° | 180.0° |
| F1 | C32 | C31 | H30 | 142.7° | 60.1° |
| F1 | C32 | C31 | H31 | 22.8° | 59.9° |
| F1 | C32 | H32 | H33 | 121.7° | 120.0° |
| C32 | C31 | C30 | H30 | 120.1° | 120.0° |
| C32 | C31 | C30 | H31 | 120.1° | 120.1° |
| C32 | C31 | C30 | N2 | 125.7° | 180.0° |
| C32 | C31 | C30 | H28 | 114.7° | 59.9° |
| C32 | C31 | C30 | H29 | 6.0° | 60.0° |
| C32 | C31 | H30 | H31 | 119.7° | 120.1° |
| C31 | C32 | H32 | H33 | 121.7° | 120.1° |
| C31 | C30 | N2 | H28 | 119.6° | 120.0° |
| C31 | C30 | N2 | H29 | 119.6° | 120.0° |
| C31 | C30 | N2 | C29 | 168.1° | 170.0° |
| C31 | C30 | N2 | C28 | 68.5° | 72.6° |
| C31 | C30 | H28 | H29 | 121.1° | 119.9° |
| C30 | C31 | H30 | H31 | 119.7° | 119.9° |
| C30 | C31 | C32 | H32 | 22.2° | 60.1° |
| C30 | C31 | C32 | H33 | 143.3° | 60.0° |
| C30 | N2 | C29 | C28 | 122.5° | 120.5° |
| C30 | N2 | C29 | C26 | 143.0° | 159.7° |
| C30 | N2 | C28 | C27 | 157.9° | 145.9° |
| C30 | N2 | C28 | H12 | 83.4° | 26.5° |
| C30 | N2 | C28 | H13 | 39.1° | 94.7° |
| C30 | N2 | C29 | H26 | 24.3° | 81.9° |
| C30 | N2 | C29 | H27 | 98.3° | 41.2° |
| N2 | C30 | H28 | H29 | 121.1° | 120.1° |
| N2 | C30 | C31 | H30 | 5.5° | 60.0° |
| N2 | C30 | C31 | H31 | 114.3° | 59.9° |
| N2 | C29 | C26 | H26 | 118.7° | 118.4° |
| N2 | C29 | C26 | H27 | 118.7° | 118.6° |
| C29 | N2 | C28 | C27 | 34.6° | 25.4° |
| N2 | C29 | C26 | C27 | 2.7° | 37.4° |
| N2 | C29 | C26 | C25 | 116.4° | 155.8° |
| N2 | C29 | C26 | H11 | 124.3° | 81.0° |
| C29 | N2 | C28 | H12 | 153.3° | 94.0° |
| C29 | N2 | C28 | H13 | 84.2° | 144.8° |
| N2 | C29 | H26 | H27 | 123.7° | 123.2° |
| C29 | N2 | C30 | H28 | 72.3° | 70.0° |
| C29 | N2 | C30 | H29 | 48.5° | 50.0° |
| C28 | N2 | C29 | C26 | 20.5° | 39.2° |
| N2 | C28 | C27 | H12 | 118.7° | 119.4° |
| N2 | C28 | C27 | H13 | 118.7° | 119.5° |
| N2 | C28 | C27 | C26 | 33.8° | 1.3° |
| N2 | C28 | H12 | H13 | 123.6° | 121.3° |
| N2 | C28 | C27 | H24 | 85.3° | 120.1° |
| N2 | C28 | C27 | H25 | 152.9° | 117.7° |
| C28 | N2 | C29 | H26 | 98.2° | 157.6° |
| C28 | N2 | C29 | H27 | 139.3° | 79.3° |
| C28 | N2 | C30 | H28 | 51.1° | 47.4° |
| C28 | N2 | C30 | H29 | 171.9° | 167.4° |
| C29 | C26 | C27 | C28 | 22.8° | 22.0° |
| C29 | C26 | C27 | C25 | 121.7° | 118.4° |
| C29 | C26 | C27 | H11 | 120.4° | 118.6° |
| C29 | C26 | C25 | H11 | 120.1° | 123.3° |
| C29 | C26 | C25 | O3 | 155.0° | 179.9° |
| C29 | C26 | C25 | H22 | 34.9° | 60.0° |
| C29 | C26 | C25 | H23 | 84.8° | 60.0° |
| C29 | C26 | C27 | H24 | 96.3° | 96.9° |
| C29 | C26 | C27 | H25 | 141.9° | 140.9° |
| C26 | C29 | H26 | H27 | 123.7° | 123.0° |
| C28 | C27 | C26 | H24 | 119.1° | 118.9° |
| C28 | C27 | C26 | H25 | 119.1° | 118.9° |
| C28 | C27 | C26 | C25 | 98.8° | 140.3° |
| C28 | C27 | C26 | H11 | 143.2° | 96.6° |
| C27 | C28 | H12 | H13 | 123.7° | 121.1° |
| C28 | C27 | H24 | H25 | 122.6° | 122.1° |
| C27 | C26 | C25 | H11 | 120.0° | 123.1° |
| C27 | C26 | C25 | O3 | 35.1° | 66.4° |
| C26 | C27 | C28 | H12 | 152.6° | 118.1° |
| C26 | C27 | C28 | H13 | 84.9° | 120.8° |
| C27 | C26 | C25 | H22 | 85.0° | 53.6° |
| C27 | C26 | C25 | H23 | 155.3° | 173.5° |
| C26 | C27 | H24 | H25 | 122.7° | 122.2° |
| C27 | C26 | C29 | H26 | 121.4° | 155.9° |
| C27 | C26 | C29 | H27 | 116.0° | 81.1° |
| C26 | C25 | O3 | H22 | 120.2° | 120.0° |
| C26 | C25 | O3 | H23 | 120.2° | 120.0° |
| C26 | C25 | O3 | C22 | 84.6° | 180.0° |
| C26 | C25 | H22 | H23 | 119.5° | 120.0° |
| C25 | C26 | C27 | H24 | 142.1° | 21.5° |
| C25 | C26 | C27 | H25 | 20.2° | 100.8° |
| C25 | C26 | C29 | H26 | 2.3° | 85.8° |
| C25 | C26 | C29 | H27 | 124.9° | 37.2° |
| C25 | O3 | C22 | C21 | 5.4° | 180.0° |
| C25 | O3 | C22 | C23 | 174.5° | 0.0° |
| O3 | C25 | C26 | H11 | 84.9° | 56.7° |
| O3 | C25 | H22 | H23 | 119.5° | 120.0° |
| O3 | C22 | C21 | C23 | 180.0° | 180.0° |
| O3 | C22 | C21 | C20 | 179.9° | 180.0° |
| O3 | C22 | C23 | C24 | 179.7° | 179.7° |
| O3 | C22 | C21 | H9 | 0.1° | 0.1° |
| O3 | C22 | C23 | H21 | 0.3° | 0.0° |
| C22 | O3 | C25 | H22 | 155.2° | 60.0° |
| C22 | O3 | C25 | H23 | 35.6° | 60.0° |
| C22 | C21 | C20 | H9 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.3° | 0.3° |
| C22 | C21 | C20 | C19 | 0.3° | 0.1° |
| C22 | C21 | C20 | H8 | 179.7° | 179.7° |
| C21 | C22 | C23 | H21 | 179.6° | 180.0° |
| C23 | C22 | C21 | C20 | 0.1° | 0.0° |
| C22 | C23 | C24 | H21 | 180.0° | 179.7° |
| C22 | C23 | C24 | C19 | 0.5° | 0.5° |
| C23 | C22 | C21 | H9 | 179.9° | 179.9° |
| C22 | C23 | C24 | H10 | 179.5° | 180.0° |
| C21 | C20 | C19 | H8 | 180.0° | 179.6° |
| C21 | C20 | C19 | C24 | 0.2° | 0.3° |
| C21 | C20 | C19 | C9 | 179.8° | 179.7° |
| C23 | C24 | C19 | C20 | 0.2° | 0.5° |
| C23 | C24 | C19 | H10 | 180.0° | 179.5° |
| C23 | C24 | C19 | C9 | 179.4° | 179.5° |
| C20 | C19 | C24 | C9 | 179.6° | 180.0° |
| C20 | C19 | C9 | C6 | 24.7° | 122.3° |
| C20 | C19 | C9 | N1 | 99.6° | 116.7° |
| C19 | C20 | C21 | H9 | 179.7° | 180.0° |
| C20 | C19 | C24 | H10 | 179.8° | 180.0° |
| C20 | C19 | C9 | H34 | 141.9° | 2.8° |
| C24 | C19 | C9 | C6 | 155.6° | 57.7° |
| C24 | C19 | C9 | N1 | 80.1° | 63.3° |
| C24 | C19 | C20 | H8 | 179.9° | 180.0° |
| C19 | C24 | C23 | H21 | 179.5° | 179.8° |
| C24 | C19 | C9 | H34 | 38.5° | 177.2° |
| C19 | C9 | C6 | C1 | 68.1° | 73.1° |
| C19 | C9 | C6 | N1 | 123.9° | 120.3° |
| C19 | C9 | C6 | H34 | 117.0° | 119.4° |
| C19 | C9 | C6 | C5 | 112.8° | 106.6° |
| C19 | C9 | N1 | H34 | 117.9° | 119.4° |
| C19 | C9 | N1 | C8 | 84.0° | 79.2° |
| C19 | C9 | N1 | C10 | 94.7° | 101.2° |
| C9 | C19 | C20 | H8 | 0.2° | 0.1° |
| C9 | C19 | C24 | H10 | 0.6° | 0.0° |
| C18 | C17 | C8 | H6 | 109.9° | 107.4° |
| C18 | C17 | C8 | H7 | 109.8° | 107.5° |
| C17 | C18 | C8 | H18 | 110.0° | 107.4° |
| C17 | C18 | C8 | H19 | 110.0° | 107.5° |
| C18 | C17 | C8 | C7 | 120.7° | 108.4° |
| C18 | C17 | C8 | N1 | 118.2° | 107.9° |
| C18 | C17 | H6 | H7 | 143.9° | 145.7° |
| C17 | C18 | H18 | H19 | 143.6° | 145.8° |
| C17 | C8 | N1 | C9 | 62.2° | 88.1° |
| C17 | C8 | C7 | C5 | 97.8° | 104.8° |
| C17 | C8 | C7 | N1 | 133.7° | 145.3° |
| C17 | C8 | N1 | C10 | 116.3° | 92.2° |
| C17 | C8 | C7 | H2 | 22.6° | 15.4° |
| C17 | C8 | C7 | H3 | 141.7° | 134.9° |
| C8 | C17 | H6 | H7 | 144.0° | 145.7° |
| C1 | C2 | C3 | H20 | 180.0° | 179.9° |
| C1 | C2 | C3 | O2 | 179.4° | 179.6° |
| C2 | C1 | C6 | H14 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.9° | 0.5° |
| C2 | C1 | C6 | C9 | 179.8° | 179.3° |
| C2 | C1 | C6 | C5 | 1.1° | 0.5° |
| C2 | C3 | O2 | C4 | 178.4° | 179.9° |
| C3 | C2 | C1 | C6 | 1.7° | 0.1° |
| C2 | C3 | C4 | C5 | 0.5° | 0.3° |
| C2 | C3 | C4 | H1 | 179.5° | 179.5° |
| C3 | C2 | C1 | H14 | 178.3° | 180.0° |
| C2 | C3 | O2 | H36 | 180.0° | 90.0° |
| O2 | C3 | C4 | C5 | 177.9° | 179.8° |
| O2 | C3 | C4 | H1 | 2.1° | 0.4° |
| O2 | C3 | C2 | H20 | 0.6° | 0.3° |
| C1 | C6 | C9 | C5 | 179.1° | 179.8° |
| C1 | C6 | C5 | C4 | 0.4° | 0.8° |
| C1 | C6 | C9 | N1 | 168.0° | 166.5° |
| C1 | C6 | C5 | C7 | 179.1° | 178.4° |
| C6 | C1 | C2 | H20 | 178.3° | 180.0° |
| C1 | C6 | C9 | H34 | 48.9° | 46.3° |
| C3 | C4 | C5 | C6 | 1.2° | 0.4° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | C7 | 180.0° | 178.8° |
| C4 | C3 | C2 | H20 | 179.1° | 179.6° |
| C4 | C3 | O2 | H36 | 1.6° | 90.0° |
| C9 | C6 | C5 | C4 | 178.7° | 179.0° |
| C6 | C9 | N1 | H34 | 118.5° | 120.3° |
| C9 | C6 | C5 | C7 | 0.0° | 1.9° |
| C6 | C9 | N1 | C8 | 39.7° | 41.1° |
| C6 | C9 | N1 | C10 | 141.7° | 138.5° |
| C9 | C6 | C1 | H14 | 0.2° | 0.8° |
| C6 | C5 | C4 | C7 | 178.8° | 179.2° |
| C5 | C6 | C9 | N1 | 11.1° | 13.7° |
| C6 | C5 | C7 | C8 | 13.3° | 14.9° |
| C6 | C5 | C4 | H1 | 178.8° | 179.9° |
| C6 | C5 | C7 | H2 | 133.7° | 134.9° |
| C6 | C5 | C7 | H3 | 107.2° | 105.5° |
| C5 | C6 | C1 | H14 | 178.9° | 179.4° |
| C5 | C6 | C9 | H34 | 130.1° | 133.9° |
| C4 | C5 | C7 | C8 | 168.0° | 166.0° |
| C4 | C5 | C7 | H2 | 47.6° | 46.0° |
| C4 | C5 | C7 | H3 | 71.6° | 73.6° |
| C9 | N1 | C8 | C18 | 137.0° | 157.4° |
| C9 | N1 | C8 | C7 | 53.0° | 57.4° |
| C9 | N1 | C8 | C10 | 178.6° | 179.7° |
| C9 | N1 | C10 | O1 | 1.0° | 176.1° |
| C9 | N1 | C10 | C11 | 177.9° | 3.8° |
| C18 | C8 | C7 | C5 | 152.8° | 174.5° |
| C18 | C8 | C7 | N1 | 171.3° | 145.0° |
| C18 | C8 | N1 | C10 | 41.6° | 22.9° |
| C18 | C8 | C7 | H2 | 32.4° | 54.3° |
| C18 | C8 | C7 | H3 | 86.8° | 65.2° |
| C8 | C18 | H18 | H19 | 143.6° | 145.8° |
| C5 | C7 | C8 | H2 | 120.4° | 120.2° |
| C5 | C7 | C8 | H3 | 120.4° | 120.3° |
| C5 | C7 | C8 | N1 | 35.9° | 40.5° |
| C7 | C5 | C4 | H1 | 0.0° | 1.0° |
| C5 | C7 | H2 | H3 | 118.7° | 119.7° |
| C7 | C8 | N1 | C10 | 128.4° | 122.3° |
| C8 | C7 | H2 | H3 | 118.7° | 119.6° |
| C7 | C8 | C17 | H6 | 10.8° | 144.2° |
| C7 | C8 | C17 | H7 | 129.5° | 0.9° |
| C7 | C8 | C18 | H18 | 172.4° | 1.1° |
| C7 | C8 | C18 | H19 | 32.4° | 144.0° |
| C8 | N1 | C10 | O1 | 179.6° | 4.3° |
| C8 | N1 | C10 | C11 | 3.4° | 175.8° |
| N1 | C8 | C7 | H2 | 156.3° | 160.7° |
| N1 | C8 | C7 | H3 | 84.5° | 79.8° |
| N1 | C8 | C17 | H6 | 131.9° | 0.4° |
| N1 | C8 | C17 | H7 | 8.3° | 144.6° |
| N1 | C8 | C18 | H18 | 3.1° | 144.5° |
| N1 | C8 | C18 | H19 | 136.8° | 0.6° |
| C8 | N1 | C9 | H34 | 158.2° | 161.4° |
| N1 | C10 | O1 | C11 | 177.2° | 179.9° |
| N1 | C10 | C11 | C12 | 115.6° | 121.2° |
| N1 | C10 | C11 | C16 | 66.4° | 57.9° |
| C10 | N1 | C9 | H34 | 23.2° | 18.3° |
| O1 | C10 | C11 | C12 | 67.4° | 58.9° |
| O1 | C10 | C11 | C16 | 110.5° | 122.0° |
| C10 | C11 | C12 | C16 | 177.9° | 179.2° |
| C10 | C11 | C12 | C13 | 178.1° | 179.7° |
| C10 | C11 | C16 | C15 | 178.8° | 180.0° |
| C10 | C11 | C12 | H15 | 1.9° | 0.2° |
| C10 | C11 | C16 | H17 | 1.2° | 0.0° |
| C11 | C12 | C13 | H15 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.3° | 0.1° |
| C12 | C11 | C16 | C15 | 0.8° | 0.8° |
| C11 | C12 | C13 | H4 | 179.7° | 179.7° |
| C12 | C11 | C16 | H17 | 179.2° | 179.2° |
| C13 | C12 | C11 | C16 | 0.2° | 0.5° |
| C12 | C13 | C14 | H4 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.2° | 0.3° |
| C12 | C13 | C14 | H16 | 179.8° | 179.6° |
| C11 | C16 | C15 | H17 | 180.0° | 180.0° |
| C11 | C16 | C15 | C14 | 0.8° | 0.5° |
| C11 | C16 | C15 | H5 | 179.2° | 179.4° |
| C16 | C11 | C12 | H15 | 179.8° | 179.4° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C13 | C14 | C15 | H16 | 180.0° | 180.0° |
| C13 | C14 | C15 | H5 | 179.7° | 179.9° |
| C14 | C13 | C12 | H15 | 179.7° | 180.0° |
| C16 | C15 | C14 | H5 | 180.0° | 179.9° |
| C16 | C15 | C14 | H16 | 179.7° | 180.0° |
| C15 | C14 | C13 | H4 | 179.7° | 180.0° |
| C14 | C15 | C16 | H17 | 179.2° | 179.5° |
| H4 | C13 | C12 | H15 | 0.3° | 0.4° |
| H4 | C13 | C14 | H16 | 0.2° | 0.0° |
| H5 | C15 | C14 | H16 | 0.3° | 0.0° |
| H5 | C15 | C16 | H17 | 0.8° | 0.6° |
| H6 | C17 | C18 | H18 | 140.1° | 145.1° |
| H6 | C17 | C18 | H19 | 0.2° | 0.1° |
| H7 | C17 | C18 | H18 | 0.2° | 0.0° |
| H7 | C17 | C18 | H19 | 140.0° | 145.1° |
| H8 | C20 | C21 | H9 | 0.3° | 0.4° |
| H10 | C24 | C23 | H21 | 0.5° | 0.3° |
| H11 | C26 | C25 | H22 | 155.0° | 176.7° |
| H11 | C26 | C25 | H23 | 35.3° | 63.3° |
| H11 | C26 | C27 | H24 | 24.1° | 144.5° |
| H11 | C26 | C27 | H25 | 97.7° | 22.3° |
| H11 | C26 | C29 | H26 | 117.0° | 37.4° |
| H11 | C26 | C29 | H27 | 5.5° | 160.4° |
| H12 | C28 | C27 | H24 | 33.5° | 0.8° |
| H12 | C28 | C27 | H25 | 88.3° | 122.9° |
| H13 | C28 | C27 | H24 | 156.0° | 120.3° |
| H13 | C28 | C27 | H25 | 34.2° | 1.8° |
| H14 | C1 | C2 | H20 | 1.7° | 0.1° |
| H28 | C30 | C31 | H30 | 125.1° | 60.1° |
| H28 | C30 | C31 | H31 | 5.3° | 180.0° |
| H29 | C30 | C31 | H30 | 114.1° | 180.0° |
| H29 | C30 | C31 | H31 | 126.1° | 60.1° |
| H30 | C31 | C32 | H32 | 97.9° | 180.0° |
| H30 | C31 | C32 | H33 | 23.2° | 60.0° |
| H31 | C31 | C32 | H32 | 142.3° | 60.0° |
| H31 | C31 | C32 | H33 | 96.6° | 179.9° |
