I0X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C10 | sing | 1.35Å | 1.41Å | |
| N1 | C1 | sing | 1.47Å | 1.49Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| O1 | C2 | doub | 1.21Å | 1.38Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| C2 | N2 | sing | 1.35Å | 1.50Å | |
| C3 | C1 | sing | 1.53Å | 1.44Å | |
| C3 | C4 | sing | 1.51Å | 1.56Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C9 | doub | 1.38Å | 1.47Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.45Å | Aromatic |
| C5 | C7 | doub | 1.38Å | 1.47Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C6 | doub | 1.38Å | 1.45Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C6 | sing | 1.38Å | 1.48Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | O2 | doub | 1.22Å | 1.22Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| O3 | C10 | sing | 1.35Å | 1.37Å | |
| O3 | C11 | sing | 1.45Å | 1.45Å | |
| C12 | C11 | sing | 1.51Å | 1.37Å | |
| C12 | C13 | doub | 1.38Å | 1.46Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| O4 | C24 | sing | 1.43Å | 1.59Å | |
| C14 | C13 | sing | 1.38Å | 1.45Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| O5 | C26 | doub | 1.22Å | 1.23Å | |
| C15 | C14 | doub | 1.38Å | 1.43Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C15 | sing | 1.38Å | 1.44Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.45Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C12 | sing | 1.38Å | 1.45Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C28 | doub | 1.38Å | 1.44Å | Aromatic |
| C19 | O4 | sing | 1.36Å | 1.32Å | |
| C19 | C30 | doub | 1.39Å | 1.60Å | Aromatic |
| C20 | C18 | sing | 1.51Å | 1.41Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | C24 | sing | 1.53Å | 1.53Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | C22 | sing | 1.53Å | 1.55Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C25 | N2 | sing | 1.46Å | 1.57Å | |
| C25 | C20 | sing | 1.53Å | 1.57Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | C25 | sing | 1.51Å | 1.57Å | |
| C26 | C31 | sing | 1.39Å | 1.34Å | |
| C27 | C18 | sing | 1.38Å | 1.45Å | Aromatic |
| C27 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | C30 | sing | 1.38Å | 1.42Å | Aromatic |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | C19 | sing | 1.39Å | 1.45Å | Aromatic |
| C29 | H32 | sing | 1.08Å | 1.08Å | |
| C30 | H33 | sing | 1.08Å | 1.08Å | |
| N3 | C31 | doub | 1.25Å | 1.47Å | |
| C31 | H34 | sing | 1.08Å | 1.08Å | |
| N3 | N4 | doub | 1.12Å | 1.38Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N1 | C1 | 128.9° | 120.0° |
| C10 | N1 | H1 | 115.6° | 120.0° |
| N1 | C10 | O2 | 121.6° | 120.0° |
| N1 | C10 | O3 | 113.7° | 120.0° |
| C1 | N1 | H1 | 115.6° | 120.0° |
| N1 | C1 | H2 | 114.6° | 109.5° |
| N1 | C1 | C2 | 99.6° | 109.5° |
| N1 | C1 | C3 | 113.1° | 109.5° |
| O1 | C2 | C1 | 136.9° | 120.0° |
| O1 | C2 | N2 | 109.3° | 120.0° |
| H2 | C1 | C2 | 115.3° | 109.5° |
| H2 | C1 | C3 | 102.3° | 109.5° |
| C1 | C2 | N2 | 113.5° | 120.0° |
| C2 | C1 | C3 | 112.4° | 109.4° |
| C2 | N2 | H12 | 121.2° | 120.0° |
| C2 | N2 | C25 | 117.5° | 120.0° |
| C1 | C3 | C4 | 112.7° | 109.4° |
| C1 | C3 | H3 | 108.4° | 109.5° |
| C1 | C3 | H4 | 108.4° | 109.5° |
| C4 | C3 | H3 | 108.4° | 109.4° |
| C4 | C3 | H4 | 108.4° | 109.4° |
| C3 | C4 | C9 | 119.6° | 120.0° |
| C3 | C4 | C5 | 120.2° | 120.0° |
| H3 | C3 | H4 | 110.5° | 109.5° |
| C9 | C4 | C5 | 120.2° | 120.0° |
| C4 | C9 | C6 | 118.9° | 120.0° |
| C4 | C9 | H9 | 120.6° | 120.0° |
| C4 | C5 | C7 | 119.3° | 120.0° |
| C4 | C5 | H5 | 120.4° | 120.0° |
| C7 | C5 | H5 | 120.4° | 120.0° |
| C5 | C7 | C8 | 121.1° | 120.0° |
| C5 | C7 | H7 | 119.5° | 120.0° |
| H6 | C6 | C8 | 120.1° | 120.0° |
| H6 | C6 | C9 | 120.1° | 120.0° |
| C8 | C7 | H7 | 119.5° | 120.0° |
| C7 | C8 | C6 | 120.8° | 120.0° |
| C7 | C8 | H8 | 119.6° | 119.9° |
| C6 | C8 | H8 | 119.6° | 120.1° |
| C8 | C6 | C9 | 119.8° | 120.0° |
| C6 | C9 | H9 | 120.6° | 120.1° |
| O2 | C10 | O3 | 124.6° | 120.0° |
| H10 | C11 | H11 | 108.4° | 109.5° |
| H10 | C11 | O3 | 110.5° | 109.4° |
| H10 | C11 | C12 | 110.5° | 109.5° |
| H11 | C11 | O3 | 110.5° | 109.4° |
| H11 | C11 | C12 | 110.5° | 109.5° |
| H12 | N2 | C25 | 121.2° | 120.0° |
| C10 | O3 | C11 | 119.2° | 117.0° |
| O3 | C11 | C12 | 106.4° | 109.5° |
| C11 | C12 | C13 | 107.6° | 120.0° |
| C11 | C12 | C17 | 130.0° | 120.0° |
| C12 | C13 | H13 | 120.7° | 120.0° |
| C12 | C13 | C14 | 118.6° | 120.0° |
| C13 | C12 | C17 | 122.5° | 120.0° |
| H13 | C13 | C14 | 120.7° | 120.0° |
| C24 | O4 | C19 | 126.3° | 117.1° |
| O4 | C24 | C21 | 105.8° | 109.5° |
| O4 | C24 | C22 | 118.3° | 109.5° |
| O4 | C24 | C23 | 108.4° | 109.5° |
| C13 | C14 | H14 | 120.5° | 120.0° |
| C13 | C14 | C15 | 118.9° | 120.0° |
| H14 | C14 | C15 | 120.6° | 120.0° |
| O5 | C26 | C25 | 122.2° | 120.0° |
| O5 | C26 | C31 | 115.4° | 120.0° |
| C14 | C15 | H15 | 118.8° | 120.1° |
| C14 | C15 | C16 | 122.5° | 120.0° |
| H15 | C15 | C16 | 118.7° | 120.0° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C15 | C16 | H16 | 120.1° | 119.9° |
| C17 | C16 | H16 | 120.0° | 120.1° |
| C16 | C17 | C12 | 117.6° | 120.0° |
| C16 | C17 | H17 | 121.2° | 120.0° |
| C12 | C17 | H17 | 121.2° | 120.0° |
| C28 | C18 | C20 | 120.6° | 120.0° |
| C28 | C18 | C27 | 124.7° | 120.1° |
| C18 | C28 | C30 | 117.5° | 120.0° |
| C18 | C28 | H31 | 121.2° | 119.9° |
| O4 | C19 | C30 | 114.1° | 120.1° |
| O4 | C19 | C29 | 132.1° | 120.0° |
| C19 | C30 | C28 | 121.1° | 120.0° |
| C30 | C19 | C29 | 113.7° | 119.9° |
| C19 | C30 | H33 | 119.4° | 120.1° |
| C18 | C20 | H18 | 107.2° | 109.5° |
| C18 | C20 | H19 | 107.2° | 109.5° |
| C18 | C20 | C25 | 116.4° | 109.4° |
| C20 | C18 | C27 | 114.7° | 119.9° |
| H18 | C20 | H19 | 111.6° | 109.5° |
| H18 | C20 | C25 | 107.2° | 109.5° |
| H19 | C20 | C25 | 107.2° | 109.4° |
| C24 | C21 | H20 | 109.5° | 109.5° |
| C24 | C21 | H21 | 109.5° | 109.5° |
| C24 | C21 | H22 | 109.5° | 109.5° |
| C21 | C24 | C22 | 103.2° | 109.5° |
| C21 | C24 | C23 | 106.9° | 109.5° |
| H20 | C21 | H21 | 109.5° | 109.4° |
| H20 | C21 | H22 | 109.4° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.4° |
| H23 | C22 | H24 | 109.5° | 109.5° |
| H23 | C22 | H25 | 109.4° | 109.5° |
| H23 | C22 | C24 | 109.5° | 109.4° |
| H24 | C22 | H25 | 109.5° | 109.5° |
| H24 | C22 | C24 | 109.5° | 109.5° |
| H25 | C22 | C24 | 109.5° | 109.5° |
| H26 | C23 | H27 | 109.5° | 109.5° |
| H26 | C23 | H28 | 109.5° | 109.5° |
| H26 | C23 | C24 | 109.5° | 109.5° |
| H27 | C23 | H28 | 109.5° | 109.5° |
| H27 | C23 | C24 | 109.4° | 109.4° |
| H28 | C23 | C24 | 109.5° | 109.5° |
| C22 | C24 | C23 | 113.2° | 109.5° |
| N2 | C25 | C20 | 111.5° | 109.5° |
| N2 | C25 | H29 | 110.5° | 109.5° |
| N2 | C25 | C26 | 104.6° | 109.5° |
| C20 | C25 | H29 | 108.3° | 109.4° |
| C20 | C25 | C26 | 107.1° | 109.4° |
| H29 | C25 | C26 | 114.8° | 109.5° |
| C25 | C26 | C31 | 122.4° | 120.0° |
| C26 | C31 | N3 | 109.5° | 119.9° |
| C26 | C31 | H34 | 125.3° | 120.0° |
| C18 | C27 | C29 | 117.5° | 120.0° |
| C18 | C27 | H30 | 121.3° | 120.0° |
| C29 | C27 | H30 | 121.3° | 120.0° |
| C27 | C29 | C19 | 125.5° | 120.0° |
| C27 | C29 | H32 | 117.3° | 120.0° |
| C30 | C28 | H31 | 121.2° | 120.0° |
| C28 | C30 | H33 | 119.4° | 119.9° |
| C19 | C29 | H32 | 117.3° | 120.1° |
| N3 | C31 | H34 | 125.3° | 120.0° |
| C31 | N3 | N4 | 175.4° | 179.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N1 | C1 | H1 | 180.0° | 179.7° |
| C10 | N1 | C1 | H2 | 57.1° | 35.0° |
| C10 | N1 | C1 | C2 | 66.6° | 155.0° |
| C10 | N1 | C1 | C3 | 173.9° | 85.1° |
| N1 | C10 | O2 | O3 | 179.2° | 180.0° |
| N1 | C10 | O3 | C11 | 179.5° | 180.0° |
| N1 | C1 | C2 | O1 | 54.6° | 0.0° |
| N1 | C1 | H2 | C2 | 114.8° | 120.0° |
| N1 | C1 | H2 | C3 | 122.9° | 120.0° |
| N1 | C1 | C2 | C3 | 120.0° | 120.0° |
| N1 | C1 | C2 | N2 | 132.8° | 180.0° |
| N1 | C1 | C3 | C4 | 48.9° | 65.0° |
| N1 | C1 | C3 | H3 | 71.1° | 54.9° |
| N1 | C1 | C3 | H4 | 168.9° | 175.0° |
| C1 | N1 | C10 | O2 | 2.1° | 0.0° |
| C1 | N1 | C10 | O3 | 178.6° | 180.0° |
| H1 | N1 | C1 | H2 | 122.9° | 144.7° |
| H1 | N1 | C1 | C2 | 113.4° | 24.7° |
| H1 | N1 | C1 | C3 | 6.1° | 95.2° |
| H1 | N1 | C10 | O2 | 177.9° | 179.7° |
| H1 | N1 | C10 | O3 | 1.4° | 0.3° |
| O1 | C2 | C1 | H2 | 177.7° | 120.0° |
| O1 | C2 | C1 | N2 | 172.6° | 180.0° |
| O1 | C2 | C1 | C3 | 65.5° | 120.0° |
| O1 | C2 | N2 | H12 | 179.7° | 180.0° |
| O1 | C2 | N2 | C25 | 0.3° | 0.0° |
| H2 | C1 | C2 | C3 | 116.8° | 120.0° |
| H2 | C1 | C2 | N2 | 9.6° | 60.0° |
| H2 | C1 | C3 | C4 | 75.0° | 55.0° |
| H2 | C1 | C3 | H3 | 165.0° | 174.9° |
| H2 | C1 | C3 | H4 | 45.1° | 65.0° |
| C2 | C1 | C3 | C4 | 160.7° | 175.0° |
| C2 | C1 | C3 | H3 | 40.7° | 65.0° |
| C2 | C1 | C3 | H4 | 79.3° | 55.1° |
| C1 | C2 | N2 | H12 | 5.6° | 0.0° |
| C1 | C2 | N2 | C25 | 174.3° | 180.0° |
| N2 | C2 | C1 | C3 | 107.2° | 60.0° |
| C2 | N2 | H12 | C25 | 180.0° | 179.9° |
| C2 | N2 | C25 | C20 | 136.7° | 155.0° |
| C2 | N2 | C25 | H29 | 16.2° | 35.0° |
| C2 | N2 | C25 | C26 | 107.9° | 85.0° |
| C1 | C3 | C4 | H3 | 120.0° | 120.0° |
| C1 | C3 | C4 | H4 | 120.0° | 120.0° |
| C1 | C3 | H3 | H4 | 118.6° | 120.1° |
| C1 | C3 | C4 | C9 | 53.7° | 90.0° |
| C1 | C3 | C4 | C5 | 126.2° | 89.8° |
| C4 | C3 | H3 | H4 | 118.7° | 120.0° |
| C3 | C4 | C9 | C5 | 179.9° | 179.8° |
| C3 | C4 | C5 | C7 | 179.6° | 180.0° |
| C3 | C4 | C5 | H5 | 0.4° | 0.1° |
| C3 | C4 | C9 | C6 | 179.4° | 179.8° |
| C3 | C4 | C9 | H9 | 0.6° | 0.0° |
| H3 | C3 | C4 | C9 | 173.7° | 30.0° |
| H3 | C3 | C4 | C5 | 6.2° | 150.2° |
| H4 | C3 | C4 | C9 | 66.3° | 150.0° |
| H4 | C3 | C4 | C5 | 113.8° | 30.2° |
| C9 | C4 | C5 | C7 | 0.3° | 0.2° |
| C9 | C4 | C5 | H5 | 179.7° | 179.7° |
| C4 | C9 | C6 | H6 | 179.6° | 179.8° |
| C4 | C9 | C6 | C8 | 0.4° | 0.4° |
| C4 | C9 | C6 | H9 | 180.0° | 179.8° |
| C4 | C5 | C7 | H5 | 180.0° | 179.9° |
| C4 | C5 | C7 | C8 | 0.2° | 0.1° |
| C4 | C5 | C7 | H7 | 179.9° | 180.0° |
| C5 | C4 | C9 | C6 | 0.6° | 0.4° |
| C5 | C4 | C9 | H9 | 179.5° | 179.8° |
| C5 | C7 | C8 | H7 | 180.0° | 179.9° |
| C5 | C7 | C8 | C6 | 0.3° | 0.1° |
| C5 | C7 | C8 | H8 | 179.6° | 180.0° |
| H5 | C5 | C7 | C8 | 179.9° | 180.0° |
| H5 | C5 | C7 | H7 | 0.1° | 0.1° |
| H6 | C6 | C8 | C7 | 179.9° | 180.0° |
| H6 | C6 | C8 | C9 | 180.0° | 179.8° |
| H6 | C6 | C8 | H8 | 0.1° | 0.0° |
| H6 | C6 | C9 | H9 | 0.4° | 0.0° |
| C7 | C8 | C6 | H8 | 180.0° | 179.9° |
| C7 | C8 | C6 | C9 | 0.1° | 0.1° |
| H7 | C7 | C8 | C6 | 179.7° | 180.0° |
| H7 | C7 | C8 | H8 | 0.3° | 0.1° |
| C8 | C6 | C9 | H9 | 179.6° | 179.8° |
| H8 | C8 | C6 | C9 | 179.9° | 179.8° |
| O2 | C10 | O3 | C11 | 0.2° | 0.0° |
| H10 | C11 | H11 | O3 | 121.2° | 119.9° |
| H10 | C11 | H11 | C12 | 121.3° | 120.1° |
| H10 | C11 | O3 | C10 | 83.5° | 60.0° |
| H10 | C11 | O3 | C12 | 120.0° | 120.0° |
| H10 | C11 | C12 | C13 | 17.2° | 30.0° |
| H10 | C11 | C12 | C17 | 163.1° | 149.7° |
| H11 | C11 | O3 | C10 | 36.5° | 60.0° |
| H11 | C11 | O3 | C12 | 120.0° | 120.0° |
| H11 | C11 | C12 | C13 | 137.3° | 150.0° |
| H11 | C11 | C12 | C17 | 43.1° | 29.7° |
| H12 | N2 | C25 | C20 | 43.3° | 25.1° |
| H12 | N2 | C25 | H29 | 163.8° | 145.0° |
| H12 | N2 | C25 | C26 | 72.1° | 94.9° |
| C10 | O3 | C11 | C12 | 156.5° | 180.0° |
| O3 | C11 | C12 | C13 | 102.8° | 90.0° |
| O3 | C11 | C12 | C17 | 76.9° | 90.3° |
| C11 | C12 | C13 | C17 | 179.7° | 179.7° |
| C11 | C12 | C13 | H13 | 0.2° | 0.0° |
| C11 | C12 | C13 | C14 | 179.7° | 180.0° |
| C11 | C12 | C17 | C16 | 179.7° | 179.6° |
| C11 | C12 | C17 | H17 | 0.3° | 0.3° |
| C12 | C13 | H13 | C14 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.0° | 0.0° |
| C13 | C12 | C17 | C16 | 0.1° | 0.6° |
| C13 | C12 | C17 | H17 | 180.0° | 180.0° |
| H13 | C13 | C14 | H14 | 0.1° | 0.0° |
| H13 | C13 | C14 | C15 | 179.9° | 179.9° |
| H13 | C13 | C12 | C17 | 179.9° | 179.7° |
| C24 | O4 | C19 | C30 | 89.8° | 174.7° |
| O4 | C24 | C21 | C22 | 124.9° | 120.0° |
| O4 | C24 | C21 | C23 | 115.4° | 120.0° |
| O4 | C24 | C21 | H20 | 180.0° | 65.2° |
| O4 | C24 | C21 | H21 | 60.0° | 174.8° |
| O4 | C24 | C21 | H22 | 60.0° | 54.8° |
| O4 | C24 | C22 | H23 | 180.0° | 60.0° |
| O4 | C24 | C22 | H24 | 60.0° | 180.0° |
| O4 | C24 | C22 | H25 | 60.0° | 60.0° |
| O4 | C24 | C23 | H26 | 180.0° | 54.8° |
| O4 | C24 | C23 | H27 | 60.0° | 174.8° |
| O4 | C24 | C23 | H28 | 60.0° | 65.2° |
| O4 | C24 | C22 | C23 | 128.4° | 120.0° |
| C24 | O4 | C19 | C29 | 86.1° | 5.9° |
| C13 | C14 | H14 | C15 | 180.0° | 179.9° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | C12 | C17 | 0.0° | 0.3° |
| H14 | C14 | C15 | H15 | 0.1° | 0.1° |
| H14 | C14 | C15 | C16 | 179.9° | 179.9° |
| O5 | C26 | C25 | N2 | 175.6° | 15.0° |
| O5 | C26 | C25 | C20 | 65.9° | 105.1° |
| O5 | C26 | C25 | H29 | 54.3° | 135.0° |
| O5 | C26 | C25 | C31 | 178.2° | 180.0° |
| O5 | C26 | C31 | N3 | 53.4° | 0.0° |
| O5 | C26 | C31 | H34 | 126.6° | 180.0° |
| C14 | C15 | H15 | C16 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.3° |
| C14 | C15 | C16 | H16 | 179.8° | 180.0° |
| H15 | C15 | C16 | C17 | 179.8° | 179.7° |
| H15 | C15 | C16 | H16 | 0.2° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.7° |
| C15 | C16 | C17 | C12 | 0.1° | 0.6° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| C16 | C17 | C12 | H17 | 180.0° | 179.4° |
| H16 | C16 | C17 | C12 | 179.8° | 179.7° |
| H16 | C16 | C17 | H17 | 0.1° | 0.3° |
| C18 | C28 | C30 | C19 | 0.0° | 0.5° |
| C28 | C18 | C20 | C27 | 179.3° | 179.8° |
| C28 | C18 | C20 | H18 | 49.6° | 150.0° |
| C28 | C18 | C20 | H19 | 169.6° | 29.9° |
| C28 | C18 | C20 | C25 | 70.4° | 90.0° |
| C28 | C18 | C27 | C29 | 0.1° | 0.1° |
| C28 | C18 | C27 | H30 | 179.9° | 180.0° |
| C18 | C28 | C30 | H31 | 180.0° | 180.0° |
| C18 | C28 | C30 | H33 | 180.0° | 180.0° |
| O4 | C19 | C30 | C29 | 176.7° | 179.5° |
| C19 | O4 | C24 | C21 | 67.3° | 55.3° |
| C19 | O4 | C24 | C22 | 47.7° | 175.3° |
| C19 | O4 | C24 | C23 | 178.4° | 64.7° |
| O4 | C19 | C29 | C27 | 175.6° | 179.7° |
| O4 | C19 | C30 | C28 | 176.4° | 180.0° |
| O4 | C19 | C29 | H32 | 4.4° | 0.3° |
| O4 | C19 | C30 | H33 | 3.6° | 0.5° |
| C30 | C19 | C29 | C27 | 0.3° | 0.2° |
| C19 | C30 | C28 | H33 | 180.0° | 179.5° |
| C19 | C30 | C28 | H31 | 179.9° | 179.5° |
| C30 | C19 | C29 | H32 | 179.7° | 179.8° |
| C18 | C20 | H18 | H19 | 117.1° | 120.0° |
| C18 | C20 | H18 | C25 | 125.7° | 120.0° |
| C18 | C20 | H19 | C25 | 125.7° | 119.9° |
| C18 | C20 | C25 | N2 | 63.0° | 64.9° |
| C18 | C20 | C25 | H29 | 175.2° | 55.0° |
| C18 | C20 | C25 | C26 | 50.9° | 175.0° |
| C20 | C18 | C27 | C29 | 179.1° | 179.7° |
| C20 | C18 | C27 | H30 | 0.8° | 0.2° |
| C20 | C18 | C28 | C30 | 179.0° | 180.0° |
| C20 | C18 | C28 | H31 | 0.9° | 0.0° |
| H18 | C20 | H19 | C25 | 117.1° | 120.0° |
| H18 | C20 | C25 | N2 | 57.0° | 175.0° |
| H18 | C20 | C25 | H29 | 64.9° | 65.0° |
| H18 | C20 | C25 | C26 | 170.9° | 55.0° |
| H18 | C20 | C18 | C27 | 131.1° | 30.2° |
| H19 | C20 | C25 | N2 | 177.0° | 55.0° |
| H19 | C20 | C25 | H29 | 55.1° | 175.0° |
| H19 | C20 | C25 | C26 | 69.1° | 65.1° |
| H19 | C20 | C18 | C27 | 11.1° | 150.3° |
| C24 | C21 | H20 | H21 | 120.0° | 120.0° |
| C24 | C21 | H20 | H22 | 120.0° | 120.1° |
| C24 | C21 | H21 | H22 | 120.0° | 120.0° |
| C21 | C24 | C22 | H23 | 63.6° | 180.0° |
| C21 | C24 | C22 | H24 | 176.4° | 60.0° |
| C21 | C24 | C22 | H25 | 56.4° | 60.0° |
| C21 | C24 | C23 | H26 | 66.3° | 65.2° |
| C21 | C24 | C23 | H27 | 53.7° | 54.8° |
| C21 | C24 | C23 | H28 | 173.7° | 174.8° |
| C21 | C24 | C22 | C23 | 115.2° | 120.0° |
| H20 | C21 | H21 | H22 | 120.0° | 119.9° |
| H20 | C21 | C24 | C22 | 55.1° | 54.8° |
| H20 | C21 | C24 | C23 | 64.6° | 174.8° |
| H21 | C21 | C24 | C22 | 65.0° | 65.2° |
| H21 | C21 | C24 | C23 | 175.4° | 54.8° |
| H22 | C21 | C24 | C22 | 175.1° | 174.9° |
| H22 | C21 | C24 | C23 | 55.4° | 65.1° |
| H23 | C22 | H24 | H25 | 120.0° | 120.0° |
| H23 | C22 | H24 | C24 | 120.0° | 119.9° |
| H23 | C22 | H25 | C24 | 120.0° | 119.9° |
| H23 | C22 | C24 | C23 | 51.6° | 60.0° |
| H24 | C22 | H25 | C24 | 120.0° | 120.0° |
| H24 | C22 | C24 | C23 | 68.4° | 60.0° |
| H25 | C22 | C24 | C23 | 171.6° | 180.0° |
| H26 | C23 | H27 | H28 | 120.0° | 120.0° |
| H26 | C23 | H27 | C24 | 120.0° | 120.0° |
| H26 | C23 | H28 | C24 | 120.0° | 120.0° |
| H26 | C23 | C24 | C22 | 46.6° | 174.9° |
| H27 | C23 | H28 | C24 | 120.0° | 120.0° |
| H27 | C23 | C24 | C22 | 166.6° | 65.2° |
| H28 | C23 | C24 | C22 | 73.4° | 54.8° |
| N2 | C25 | C20 | H29 | 121.8° | 120.0° |
| N2 | C25 | C20 | C26 | 113.9° | 120.1° |
| N2 | C25 | H29 | C26 | 118.1° | 120.1° |
| N2 | C25 | C26 | C31 | 2.6° | 165.0° |
| C20 | C25 | H29 | C26 | 119.5° | 119.9° |
| C20 | C25 | C26 | C31 | 115.9° | 75.0° |
| C25 | C20 | C18 | C27 | 108.9° | 89.8° |
| H29 | C25 | C26 | C31 | 123.9° | 44.9° |
| C25 | C26 | C31 | N3 | 124.9° | 180.0° |
| C25 | C26 | C31 | H34 | 55.1° | 0.0° |
| C26 | C31 | N3 | H34 | 180.0° | 180.0° |
| C26 | C31 | N3 | N4 | 147.0° | 152.9° |
| C18 | C27 | C29 | H30 | 180.0° | 180.0° |
| C27 | C18 | C28 | C30 | 0.2° | 0.2° |
| C27 | C18 | C28 | H31 | 179.8° | 179.8° |
| C18 | C27 | C29 | C19 | 0.1° | 0.0° |
| C18 | C27 | C29 | H32 | 179.9° | 179.9° |
| C27 | C29 | C19 | H32 | 180.0° | 180.0° |
| H30 | C27 | C29 | C19 | 179.8° | 180.0° |
| H30 | C27 | C29 | H32 | 0.2° | 0.1° |
| C28 | C30 | C19 | C29 | 0.3° | 0.5° |
| H31 | C28 | C30 | H33 | 0.1° | 0.0° |
| C29 | C19 | C30 | H33 | 179.7° | 180.0° |
| H34 | C31 | N3 | N4 | 33.0° | 27.1° |
