R81
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C15 | sing | 1.43Å | 1.44Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C13 | sing | 1.47Å | 1.45Å | |
| C13 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C8 | sing | 1.33Å | 1.32Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.45Å | |
| C7 | O | doub | 1.22Å | 1.21Å | |
| C7 | N | sing | 1.35Å | 1.31Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| N | C4 | sing | 1.40Å | 1.41Å | |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C | sing | 1.39Å | 1.37Å | Aromatic |
| C31 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C | C16 | sing | 1.48Å | 1.47Å | |
| C | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | N3 | sing | 1.40Å | 1.42Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| N3 | C20 | sing | 1.35Å | 1.33Å | |
| O2 | C20 | doub | 1.22Å | 1.22Å | |
| C20 | C21 | sing | 1.48Å | 1.45Å | |
| C21 | N4 | doub | 1.33Å | 1.34Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| N4 | C25 | sing | 1.31Å | 1.34Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C26 | sing | 1.51Å | 1.49Å | |
| C26 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | C27 | sing | 1.47Å | 1.48Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C28 | O3 | sing | 1.43Å | 1.44Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| N2 | H17 | sing | 1.01Å | 1.00Å | |
| O1 | H19 | sing | 0.97Å | 0.95Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| N | H21 | sing | 0.97Å | 1.00Å | |
| C3 | H22 | sing | 1.08Å | 1.08Å | |
| C1 | H23 | sing | 1.08Å | 1.08Å | |
| C31 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C22 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| N5 | H32 | sing | 1.01Å | 1.00Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| O3 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C15 | C14 | 109.3° | 109.5° |
| O1 | C15 | H8 | 109.5° | 109.4° |
| O1 | C15 | H9 | 109.5° | 109.4° |
| C15 | O1 | H19 | 109.5° | 114.0° |
| C15 | C14 | N2 | 107.0° | 109.4° |
| C15 | C14 | H1 | 110.1° | 109.5° |
| C15 | C14 | H2 | 110.1° | 109.5° |
| C14 | C15 | H8 | 109.5° | 109.5° |
| C14 | C15 | H9 | 109.5° | 109.5° |
| C14 | N2 | C13 | 111.8° | 111.0° |
| N2 | C14 | H1 | 110.1° | 109.5° |
| N2 | C14 | H2 | 110.1° | 109.5° |
| C14 | N2 | H17 | 108.9° | 111.0° |
| N2 | C13 | C11 | 107.6° | 109.5° |
| N2 | C13 | H10 | 110.0° | 109.5° |
| N2 | C13 | H11 | 110.0° | 109.5° |
| C13 | N2 | H17 | 108.9° | 111.0° |
| C13 | C11 | C10 | 122.4° | 120.3° |
| C13 | C11 | C12 | 118.3° | 120.3° |
| C11 | C13 | H10 | 109.9° | 109.5° |
| C11 | C13 | H11 | 109.9° | 109.5° |
| C10 | C11 | C12 | 119.3° | 119.4° |
| C11 | C10 | C9 | 118.9° | 118.5° |
| C11 | C10 | H16 | 120.5° | 120.8° |
| C11 | C12 | N1 | 121.0° | 120.9° |
| C11 | C12 | H20 | 119.5° | 119.5° |
| C10 | C9 | C8 | 117.9° | 119.1° |
| C10 | C9 | H15 | 121.1° | 120.4° |
| C9 | C10 | H16 | 120.5° | 120.8° |
| C12 | N1 | C8 | 120.3° | 121.6° |
| N1 | C12 | H20 | 119.5° | 119.5° |
| C9 | C8 | N1 | 122.5° | 120.5° |
| C9 | C8 | C7 | 122.6° | 119.8° |
| C8 | C9 | H15 | 121.0° | 120.5° |
| N1 | C8 | C7 | 114.8° | 119.7° |
| C8 | C7 | O | 116.9° | 120.0° |
| C8 | C7 | N | 114.8° | 120.0° |
| O | C7 | N | 128.2° | 120.0° |
| C7 | N | C4 | 124.2° | 120.0° |
| C7 | N | H21 | 117.9° | 120.0° |
| C6 | C5 | C4 | 118.7° | 120.1° |
| C6 | C5 | C | 122.9° | 120.1° |
| C5 | C6 | H4 | 109.5° | 109.4° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| N | C4 | C5 | 115.5° | 120.0° |
| N | C4 | C3 | 123.2° | 120.0° |
| C4 | N | H21 | 117.9° | 120.0° |
| C31 | C30 | C29 | 120.0° | 120.2° |
| C30 | C31 | C16 | 119.8° | 120.0° |
| C30 | C31 | H24 | 120.1° | 120.0° |
| C31 | C30 | H25 | 120.0° | 119.9° |
| C30 | C29 | C19 | 119.6° | 120.2° |
| C29 | C30 | H25 | 120.0° | 119.9° |
| C30 | C29 | H26 | 120.2° | 119.9° |
| C5 | C4 | C3 | 121.2° | 120.0° |
| C4 | C5 | C | 118.3° | 119.8° |
| C4 | C3 | C2 | 120.6° | 120.2° |
| C4 | C3 | H22 | 119.7° | 120.0° |
| C5 | C | C16 | 121.5° | 120.1° |
| C5 | C | C1 | 121.5° | 119.8° |
| C31 | C16 | C | 115.6° | 120.1° |
| C31 | C16 | C17 | 120.3° | 119.8° |
| C16 | C31 | H24 | 120.1° | 120.0° |
| C29 | C19 | C17 | 120.0° | 120.0° |
| C29 | C19 | N3 | 122.2° | 120.0° |
| C19 | C29 | H26 | 120.2° | 120.0° |
| C3 | C2 | C1 | 119.1° | 120.2° |
| C3 | C2 | H3 | 120.5° | 119.9° |
| C2 | C3 | H22 | 119.7° | 119.9° |
| C16 | C | C1 | 117.0° | 120.1° |
| C | C16 | C17 | 123.9° | 120.1° |
| C | C1 | C2 | 119.3° | 120.1° |
| C | C1 | H23 | 120.4° | 120.0° |
| C16 | C17 | C19 | 120.3° | 119.8° |
| C16 | C17 | C18 | 119.3° | 120.1° |
| C1 | C2 | H3 | 120.4° | 119.9° |
| C2 | C1 | H23 | 120.4° | 120.0° |
| C17 | C19 | N3 | 117.8° | 120.0° |
| C19 | C17 | C18 | 120.4° | 120.1° |
| C19 | N3 | C20 | 123.5° | 120.0° |
| C19 | N3 | H7 | 118.2° | 120.0° |
| C17 | C18 | H12 | 109.5° | 109.5° |
| C17 | C18 | H13 | 109.5° | 109.5° |
| C17 | C18 | H14 | 109.5° | 109.5° |
| N3 | C20 | O2 | 126.5° | 120.0° |
| N3 | C20 | C21 | 115.9° | 120.0° |
| C20 | N3 | H7 | 118.2° | 120.0° |
| O2 | C20 | C21 | 117.5° | 120.0° |
| C20 | C21 | N4 | 116.3° | 119.8° |
| C20 | C21 | C22 | 121.4° | 119.7° |
| N4 | C21 | C22 | 122.3° | 120.5° |
| C21 | N4 | C25 | 121.2° | 121.7° |
| C21 | C22 | C23 | 117.8° | 119.1° |
| C21 | C22 | H27 | 121.1° | 120.5° |
| N4 | C25 | C24 | 119.1° | 120.9° |
| N4 | C25 | H29 | 120.5° | 119.6° |
| C22 | C23 | C24 | 118.7° | 118.5° |
| C23 | C22 | H27 | 121.1° | 120.4° |
| C22 | C23 | H28 | 120.6° | 120.8° |
| C25 | C24 | C23 | 120.9° | 119.4° |
| C25 | C24 | C26 | 117.8° | 120.3° |
| C24 | C25 | H29 | 120.4° | 119.6° |
| C23 | C24 | C26 | 121.3° | 120.3° |
| C24 | C23 | H28 | 120.7° | 120.7° |
| C24 | C26 | N5 | 108.2° | 109.5° |
| C24 | C26 | H30 | 109.8° | 109.5° |
| C24 | C26 | H31 | 109.8° | 109.5° |
| C26 | N5 | C27 | 115.5° | 111.0° |
| N5 | C26 | H30 | 109.8° | 109.4° |
| N5 | C26 | H31 | 109.8° | 109.5° |
| C26 | N5 | H32 | 107.9° | 111.0° |
| N5 | C27 | C28 | 108.3° | 109.5° |
| C27 | N5 | H32 | 108.0° | 111.0° |
| N5 | C27 | H34 | 109.7° | 109.5° |
| N5 | C27 | H35 | 109.7° | 109.5° |
| C27 | C28 | O3 | 110.8° | 109.4° |
| C28 | C27 | H34 | 109.8° | 109.5° |
| C28 | C27 | H35 | 109.8° | 109.5° |
| C27 | C28 | H36 | 109.1° | 109.4° |
| C27 | C28 | H37 | 109.1° | 109.4° |
| O3 | C28 | H36 | 109.1° | 109.5° |
| O3 | C28 | H37 | 109.1° | 109.5° |
| C28 | O3 | H38 | 109.5° | 114.0° |
| H1 | C14 | H2 | 109.4° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H6 | 109.4° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.4° |
| H12 | C18 | H13 | 109.5° | 109.5° |
| H12 | C18 | H14 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.5° |
| H30 | C26 | H31 | 109.5° | 109.5° |
| H34 | C27 | H35 | 109.4° | 109.4° |
| H36 | C28 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C15 | C14 | H8 | 120.0° | 120.0° |
| O1 | C15 | C14 | H9 | 120.0° | 120.0° |
| O1 | C15 | C14 | N2 | 103.6° | 65.0° |
| O1 | C15 | C14 | H1 | 136.8° | 175.0° |
| O1 | C15 | C14 | H2 | 16.1° | 55.0° |
| O1 | C15 | H8 | H9 | 120.1° | 120.0° |
| C15 | C14 | N2 | H1 | 119.6° | 120.0° |
| C15 | C14 | N2 | H2 | 119.6° | 120.0° |
| C15 | C14 | N2 | C13 | 166.5° | 180.0° |
| C15 | C14 | H1 | H2 | 121.1° | 120.0° |
| C14 | C15 | H8 | H9 | 120.1° | 120.1° |
| C15 | C14 | N2 | H17 | 46.2° | 56.1° |
| C14 | C15 | O1 | H19 | 180.0° | 179.9° |
| C14 | N2 | C13 | H17 | 120.3° | 123.9° |
| C14 | N2 | C13 | C11 | 153.9° | 180.0° |
| N2 | C14 | H1 | H2 | 121.1° | 120.0° |
| N2 | C14 | C15 | H8 | 16.4° | 175.0° |
| N2 | C14 | C15 | H9 | 136.4° | 55.0° |
| C14 | N2 | C13 | H10 | 86.5° | 60.0° |
| C14 | N2 | C13 | H11 | 34.2° | 60.0° |
| N2 | C13 | C11 | H10 | 119.7° | 120.0° |
| N2 | C13 | C11 | H11 | 119.7° | 120.0° |
| N2 | C13 | C11 | C10 | 70.5° | 90.0° |
| N2 | C13 | C11 | C12 | 110.1° | 90.0° |
| C13 | N2 | C14 | H1 | 73.9° | 60.0° |
| C13 | N2 | C14 | H2 | 46.9° | 60.0° |
| N2 | C13 | H10 | H11 | 120.9° | 120.0° |
| C13 | C11 | C10 | C12 | 179.3° | 180.0° |
| C13 | C11 | C10 | C9 | 179.1° | 180.0° |
| C13 | C11 | C12 | N1 | 179.5° | 180.0° |
| C11 | C13 | H10 | H11 | 120.9° | 120.0° |
| C13 | C11 | C10 | H16 | 0.8° | 0.0° |
| C11 | C13 | N2 | H17 | 33.5° | 56.0° |
| C13 | C11 | C12 | H20 | 0.5° | 0.0° |
| C11 | C10 | C9 | H16 | 180.0° | 180.0° |
| C10 | C11 | C12 | N1 | 0.1° | 0.0° |
| C11 | C10 | C9 | C8 | 0.6° | 0.0° |
| C10 | C11 | C13 | H10 | 49.2° | 150.0° |
| C10 | C11 | C13 | H11 | 169.8° | 30.0° |
| C11 | C10 | C9 | H15 | 179.4° | 180.0° |
| C10 | C11 | C12 | H20 | 179.9° | 180.0° |
| C12 | C11 | C10 | C9 | 0.2° | 0.0° |
| C11 | C12 | N1 | H20 | 180.0° | 180.0° |
| C11 | C12 | N1 | C8 | 1.2° | 0.0° |
| C12 | C11 | C13 | H10 | 130.2° | 30.0° |
| C12 | C11 | C13 | H11 | 9.6° | 150.0° |
| C12 | C11 | C10 | H16 | 179.8° | 180.0° |
| C10 | C9 | C8 | H15 | 180.0° | 180.0° |
| C10 | C9 | C8 | N1 | 1.7° | 0.0° |
| C10 | C9 | C8 | C7 | 178.9° | 179.9° |
| C12 | N1 | C8 | C9 | 2.1° | 0.0° |
| C12 | N1 | C8 | C7 | 179.4° | 179.9° |
| C9 | C8 | N1 | C7 | 177.3° | 179.9° |
| C9 | C8 | C7 | O | 6.8° | 0.1° |
| C9 | C8 | C7 | N | 174.3° | 180.0° |
| C8 | C9 | C10 | H16 | 179.4° | 180.0° |
| N1 | C8 | C7 | O | 170.6° | 180.0° |
| N1 | C8 | C7 | N | 8.4° | 0.1° |
| N1 | C8 | C9 | H15 | 178.3° | 180.0° |
| C8 | N1 | C12 | H20 | 178.7° | 180.0° |
| C8 | C7 | O | N | 178.8° | 179.9° |
| C8 | C7 | N | C4 | 178.2° | 174.4° |
| C7 | C8 | C9 | H15 | 1.1° | 0.0° |
| C8 | C7 | N | H21 | 1.8° | 5.6° |
| O | C7 | N | C4 | 0.6° | 5.5° |
| O | C7 | N | H21 | 179.4° | 174.5° |
| C7 | N | C4 | H21 | 180.0° | 180.0° |
| C7 | N | C4 | C5 | 149.4° | 154.3° |
| C7 | N | C4 | C3 | 32.2° | 24.9° |
| C6 | C5 | C4 | N | 1.8° | 0.0° |
| C6 | C5 | C4 | C | 178.1° | 180.0° |
| C6 | C5 | C4 | C3 | 179.9° | 179.3° |
| C6 | C5 | C | C16 | 1.7° | 0.0° |
| C6 | C5 | C | C1 | 179.9° | 179.5° |
| C5 | C6 | H4 | H5 | 120.0° | 120.0° |
| C5 | C6 | H4 | H6 | 120.0° | 120.0° |
| C5 | C6 | H5 | H6 | 120.0° | 120.0° |
| N | C4 | C5 | C3 | 178.4° | 179.2° |
| N | C4 | C5 | C | 179.9° | 180.0° |
| N | C4 | C3 | C2 | 179.7° | 179.7° |
| N | C4 | C3 | H22 | 0.3° | 0.2° |
| C31 | C30 | C29 | H25 | 180.0° | 179.2° |
| C30 | C31 | C16 | H24 | 180.0° | 179.5° |
| C31 | C30 | C29 | C19 | 0.9° | 0.5° |
| C30 | C31 | C16 | C | 177.8° | 179.5° |
| C30 | C31 | C16 | C17 | 3.3° | 0.5° |
| C31 | C30 | C29 | H26 | 179.1° | 179.5° |
| C29 | C30 | C31 | C16 | 2.7° | 0.7° |
| C30 | C29 | C19 | H26 | 180.0° | 180.0° |
| C30 | C29 | C19 | C17 | 0.3° | 0.0° |
| C30 | C29 | C19 | N3 | 178.7° | 179.7° |
| C29 | C30 | C31 | H24 | 177.3° | 179.8° |
| C5 | C4 | C3 | C2 | 1.4° | 0.5° |
| C4 | C5 | C | C16 | 176.3° | 180.0° |
| C4 | C5 | C | C1 | 1.9° | 0.6° |
| C4 | C5 | C6 | H4 | 89.1° | 85.0° |
| C4 | C5 | C6 | H5 | 150.9° | 35.0° |
| C4 | C5 | C6 | H6 | 30.9° | 155.1° |
| C5 | C4 | N | H21 | 30.6° | 25.6° |
| C5 | C4 | C3 | H22 | 178.6° | 179.4° |
| C3 | C4 | C5 | C | 1.7° | 0.8° |
| C4 | C3 | C2 | H22 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 1.1° | 0.0° |
| C4 | C3 | C2 | H3 | 178.9° | 179.7° |
| C3 | C4 | N | H21 | 147.8° | 155.2° |
| C5 | C | C16 | C31 | 80.2° | 109.8° |
| C5 | C | C16 | C1 | 178.3° | 179.5° |
| C5 | C | C16 | C17 | 105.5° | 70.1° |
| C5 | C | C1 | C2 | 1.7° | 0.0° |
| C | C5 | C6 | H4 | 88.9° | 95.1° |
| C | C5 | C6 | H5 | 31.1° | 144.9° |
| C | C5 | C6 | H6 | 151.1° | 24.9° |
| C5 | C | C1 | H23 | 178.3° | 180.0° |
| C31 | C16 | C | C17 | 174.3° | 180.0° |
| C31 | C16 | C | C1 | 98.1° | 69.7° |
| C31 | C16 | C17 | C19 | 2.1° | 0.1° |
| C31 | C16 | C17 | C18 | 178.1° | 180.0° |
| C16 | C31 | C30 | H25 | 177.3° | 180.0° |
| C29 | C19 | C17 | C16 | 0.3° | 0.3° |
| C29 | C19 | C17 | N3 | 178.4° | 179.7° |
| C29 | C19 | C17 | C18 | 180.0° | 179.8° |
| C29 | C19 | N3 | C20 | 33.1° | 24.8° |
| C29 | C19 | N3 | H7 | 146.9° | 155.1° |
| C19 | C29 | C30 | H25 | 179.1° | 179.8° |
| C3 | C2 | C1 | C | 1.3° | 0.3° |
| C3 | C2 | C1 | H3 | 180.0° | 179.7° |
| C3 | C2 | C1 | H23 | 178.7° | 179.7° |
| C16 | C | C1 | C2 | 176.6° | 179.5° |
| C | C16 | C17 | C19 | 176.2° | 180.0° |
| C | C16 | C17 | C18 | 4.1° | 0.0° |
| C16 | C | C1 | H23 | 3.4° | 0.5° |
| C | C16 | C31 | H24 | 2.2° | 0.0° |
| C1 | C | C16 | C17 | 76.2° | 110.4° |
| C | C1 | C2 | H23 | 180.0° | 180.0° |
| C | C1 | C2 | H3 | 178.7° | 180.0° |
| C16 | C17 | C19 | C18 | 179.7° | 179.9° |
| C16 | C17 | C19 | N3 | 178.1° | 180.0° |
| C16 | C17 | C18 | H12 | 89.8° | 85.1° |
| C16 | C17 | C18 | H13 | 150.1° | 34.9° |
| C16 | C17 | C18 | H14 | 30.1° | 154.9° |
| C17 | C16 | C31 | H24 | 176.7° | 180.0° |
| C1 | C2 | C3 | H22 | 178.8° | 180.0° |
| C17 | C19 | N3 | C20 | 148.5° | 154.9° |
| C17 | C19 | N3 | H7 | 31.5° | 25.2° |
| C19 | C17 | C18 | H12 | 89.9° | 94.9° |
| C19 | C17 | C18 | H13 | 30.2° | 145.1° |
| C19 | C17 | C18 | H14 | 150.2° | 25.1° |
| C17 | C19 | C29 | H26 | 179.7° | 180.0° |
| N3 | C19 | C17 | C18 | 1.6° | 0.1° |
| C19 | N3 | C20 | H7 | 180.0° | 180.0° |
| C19 | N3 | C20 | O2 | 0.6° | 5.6° |
| C19 | N3 | C20 | C21 | 177.3° | 174.4° |
| N3 | C19 | C29 | H26 | 1.3° | 0.3° |
| C17 | C18 | H12 | H13 | 120.0° | 120.0° |
| C17 | C18 | H12 | H14 | 120.0° | 120.0° |
| C17 | C18 | H13 | H14 | 120.0° | 120.0° |
| N3 | C20 | O2 | C21 | 176.6° | 179.9° |
| N3 | C20 | C21 | N4 | 7.5° | 0.0° |
| N3 | C20 | C21 | C22 | 176.4° | 180.0° |
| O2 | C20 | C21 | N4 | 169.5° | 180.0° |
| O2 | C20 | C21 | C22 | 6.6° | 0.0° |
| O2 | C20 | N3 | H7 | 179.4° | 174.4° |
| C20 | C21 | N4 | C22 | 176.1° | 180.0° |
| C20 | C21 | N4 | C25 | 178.3° | 180.0° |
| C20 | C21 | C22 | C23 | 179.4° | 180.0° |
| C21 | C20 | N3 | H7 | 2.7° | 5.5° |
| C20 | C21 | C22 | H27 | 0.6° | 0.0° |
| N4 | C21 | C22 | C23 | 3.5° | 0.0° |
| C21 | N4 | C25 | C24 | 0.2° | 0.1° |
| N4 | C21 | C22 | H27 | 176.5° | 180.0° |
| C21 | N4 | C25 | H29 | 179.9° | 180.0° |
| C22 | C21 | N4 | C25 | 2.2° | 0.0° |
| C21 | C22 | C23 | H27 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 2.4° | 0.0° |
| C21 | C22 | C23 | H28 | 177.6° | 180.0° |
| N4 | C25 | C24 | H29 | 180.0° | 179.9° |
| N4 | C25 | C24 | C23 | 1.1° | 0.1° |
| N4 | C25 | C24 | C26 | 179.7° | 179.9° |
| C22 | C23 | C24 | C25 | 0.2° | 0.0° |
| C22 | C23 | C24 | H28 | 180.0° | 180.0° |
| C22 | C23 | C24 | C26 | 179.0° | 180.0° |
| C25 | C24 | C23 | C26 | 179.2° | 180.0° |
| C25 | C24 | C26 | N5 | 91.1° | 90.0° |
| C25 | C24 | C23 | H28 | 179.8° | 180.0° |
| C25 | C24 | C26 | H30 | 28.7° | 30.0° |
| C25 | C24 | C26 | H31 | 149.1° | 150.0° |
| C23 | C24 | C26 | N5 | 88.1° | 90.0° |
| C24 | C23 | C22 | H27 | 177.6° | 180.0° |
| C23 | C24 | C25 | H29 | 178.9° | 180.0° |
| C23 | C24 | C26 | H30 | 152.1° | 150.0° |
| C23 | C24 | C26 | H31 | 31.7° | 30.0° |
| C24 | C26 | N5 | H30 | 119.8° | 120.0° |
| C24 | C26 | N5 | H31 | 119.8° | 120.0° |
| C24 | C26 | N5 | C27 | 151.6° | 180.0° |
| C26 | C24 | C23 | H28 | 1.0° | 0.0° |
| C26 | C24 | C25 | H29 | 0.3° | 0.1° |
| C24 | C26 | H30 | H31 | 120.6° | 120.0° |
| C24 | C26 | N5 | H32 | 87.5° | 56.1° |
| C26 | N5 | C27 | H32 | 120.9° | 123.9° |
| C26 | N5 | C27 | C28 | 171.4° | 180.0° |
| N5 | C26 | H30 | H31 | 120.6° | 120.0° |
| C26 | N5 | C27 | H34 | 68.8° | 60.0° |
| C26 | N5 | C27 | H35 | 51.5° | 60.0° |
| N5 | C27 | C28 | H34 | 119.8° | 120.0° |
| N5 | C27 | C28 | H35 | 119.8° | 120.0° |
| N5 | C27 | C28 | O3 | 91.9° | 65.0° |
| C27 | N5 | C26 | H30 | 31.8° | 60.0° |
| C27 | N5 | C26 | H31 | 88.6° | 60.0° |
| N5 | C27 | H34 | H35 | 120.5° | 120.0° |
| N5 | C27 | C28 | H36 | 147.9° | 175.0° |
| N5 | C27 | C28 | H37 | 28.3° | 55.0° |
| C27 | C28 | O3 | H36 | 120.2° | 120.0° |
| C27 | C28 | O3 | H37 | 120.2° | 119.9° |
| C28 | C27 | N5 | H32 | 50.5° | 56.1° |
| C28 | C27 | H34 | H35 | 120.5° | 120.0° |
| C27 | C28 | H36 | H37 | 119.4° | 119.9° |
| C27 | C28 | O3 | H38 | 180.0° | 180.0° |
| O3 | C28 | C27 | H34 | 27.9° | 55.1° |
| O3 | C28 | C27 | H35 | 148.3° | 175.0° |
| O3 | C28 | H36 | H37 | 119.4° | 120.1° |
| H1 | C14 | C15 | H8 | 103.2° | 55.0° |
| H1 | C14 | C15 | H9 | 16.8° | 65.0° |
| H1 | C14 | N2 | H17 | 165.8° | 176.1° |
| H2 | C14 | C15 | H8 | 136.0° | 65.0° |
| H2 | C14 | C15 | H9 | 103.9° | 175.0° |
| H2 | C14 | N2 | H17 | 73.5° | 63.9° |
| H3 | C2 | C3 | H22 | 1.1° | 0.3° |
| H3 | C2 | C1 | H23 | 1.3° | 0.0° |
| H4 | C6 | H5 | H6 | 119.9° | 120.0° |
| H8 | C15 | O1 | H19 | 60.1° | 59.9° |
| H9 | C15 | O1 | H19 | 60.0° | 60.1° |
| H10 | C13 | N2 | H17 | 153.2° | 64.0° |
| H11 | C13 | N2 | H17 | 86.2° | 176.1° |
| H12 | C18 | H13 | H14 | 120.0° | 120.0° |
| H15 | C9 | C10 | H16 | 0.6° | 0.0° |
| H24 | C31 | C30 | H25 | 2.7° | 0.5° |
| H25 | C30 | C29 | H26 | 0.9° | 0.3° |
| H27 | C22 | C23 | H28 | 2.4° | 0.0° |
| H30 | C26 | N5 | H32 | 152.7° | 176.1° |
| H31 | C26 | N5 | H32 | 32.3° | 63.9° |
| H32 | N5 | C27 | H34 | 170.3° | 176.1° |
| H32 | N5 | C27 | H35 | 69.3° | 64.0° |
| H34 | C27 | C28 | H36 | 92.3° | 65.0° |
| H34 | C27 | C28 | H37 | 148.1° | 175.1° |
| H35 | C27 | C28 | H36 | 28.0° | 55.0° |
| H35 | C27 | C28 | H37 | 91.5° | 65.0° |
| H36 | C28 | O3 | H38 | 59.8° | 60.0° |
| H37 | C28 | O3 | H38 | 59.8° | 60.0° |
