RQU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | O2 | sing | 1.36Å | 1.36Å | |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| O2 | C31 | sing | 1.43Å | 1.42Å | |
| N6 | C10 | sing | 1.47Å | 1.45Å | |
| N6 | C1 | sing | 1.38Å | 1.34Å | |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| O1 | C11 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | N8 | sing | 1.35Å | 1.33Å | |
| C1 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| C1 | N2 | sing | 1.32Å | 1.35Å | Aromatic |
| C8 | C6 | sing | 1.53Å | 1.51Å | |
| N1 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
| N8 | C23 | sing | 1.47Å | 1.46Å | |
| N2 | C2 | doub | 1.33Å | 1.34Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | N5 | sing | 1.46Å | 1.45Å | |
| C9 | C12 | sing | 1.51Å | 1.51Å | |
| C4 | N5 | sing | 1.38Å | 1.34Å | |
| C4 | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | N4 | sing | 1.36Å | 1.39Å | Aromatic |
| C6 | N3 | sing | 1.46Å | 1.46Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| N3 | C5 | sing | 1.36Å | 1.37Å | Aromatic |
| N7 | C22 | doub | 1.32Å | 1.34Å | Aromatic |
| N7 | C18 | sing | 1.33Å | 1.35Å | Aromatic |
| N4 | C5 | doub | 1.30Å | 1.31Å | Aromatic |
| C15 | C18 | sing | 1.48Å | 1.48Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.08Å | 1.08Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| N5 | H9 | sing | 0.97Å | 1.00Å | |
| N6 | H12 | sing | 0.97Å | 1.00Å | |
| N8 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C29 | C30 | 119.6° | 120.1° |
| C29 | C28 | C27 | 120.6° | 120.0° |
| C29 | C28 | H29 | 119.7° | 120.0° |
| C28 | C29 | H30 | 120.2° | 119.9° |
| C29 | C30 | C25 | 121.4° | 120.1° |
| C30 | C29 | H30 | 120.2° | 120.0° |
| C29 | C30 | H31 | 119.3° | 119.9° |
| C28 | C27 | C26 | 119.6° | 120.0° |
| C28 | C27 | H28 | 120.2° | 120.0° |
| C27 | C28 | H29 | 119.7° | 119.9° |
| C30 | C25 | C26 | 118.1° | 119.9° |
| C30 | C25 | C24 | 120.7° | 120.1° |
| C25 | C30 | H31 | 119.3° | 120.0° |
| C27 | C26 | C25 | 120.7° | 119.9° |
| C27 | C26 | O2 | 124.2° | 120.1° |
| C26 | C27 | H28 | 120.2° | 120.0° |
| C25 | C26 | O2 | 115.0° | 120.1° |
| C26 | C25 | C24 | 121.2° | 120.0° |
| C26 | O2 | C31 | 117.9° | 117.0° |
| C25 | C24 | C23 | 111.2° | 109.4° |
| C25 | C24 | H27 | 109.0° | 109.5° |
| C25 | C24 | H26 | 109.0° | 109.5° |
| O2 | C31 | H32 | 109.5° | 109.4° |
| O2 | C31 | H33 | 109.4° | 109.4° |
| O2 | C31 | H34 | 109.5° | 109.4° |
| C10 | N6 | C1 | 123.9° | 120.0° |
| N6 | C10 | C11 | 112.3° | 109.5° |
| N6 | C10 | H13 | 108.8° | 109.5° |
| N6 | C10 | H14 | 108.7° | 109.5° |
| C10 | N6 | H12 | 105.7° | 119.9° |
| N6 | C1 | N1 | 117.6° | 118.9° |
| N6 | C1 | N2 | 116.8° | 118.9° |
| C1 | N6 | H12 | 105.7° | 120.1° |
| C24 | C23 | N8 | 112.4° | 109.5° |
| C24 | C23 | H24 | 108.7° | 109.5° |
| C24 | C23 | H25 | 108.7° | 109.5° |
| C23 | C24 | H27 | 109.0° | 109.4° |
| C23 | C24 | H26 | 109.0° | 109.5° |
| O1 | C11 | C10 | 119.9° | 120.0° |
| O1 | C11 | N8 | 122.1° | 120.0° |
| C10 | C11 | N8 | 118.0° | 120.0° |
| C11 | C10 | H13 | 108.7° | 109.5° |
| C11 | C10 | H14 | 108.8° | 109.5° |
| C11 | N8 | C23 | 123.8° | 120.0° |
| C11 | N8 | H23 | 118.1° | 120.0° |
| N1 | C1 | N2 | 125.6° | 122.2° |
| C1 | N1 | C4 | 119.8° | 121.2° |
| C1 | N2 | C2 | 113.0° | 120.6° |
| C8 | C6 | N3 | 112.6° | 109.5° |
| C8 | C6 | C7 | 112.8° | 109.4° |
| C8 | C6 | H2 | 106.8° | 109.5° |
| C6 | C8 | H7 | 109.5° | 109.5° |
| C6 | C8 | H8 | 109.4° | 109.5° |
| C6 | C8 | H6 | 109.5° | 109.5° |
| N1 | C4 | N5 | 120.0° | 120.7° |
| N1 | C4 | C3 | 118.6° | 118.5° |
| N8 | C23 | H24 | 108.7° | 109.5° |
| N8 | C23 | H25 | 108.7° | 109.4° |
| C23 | N8 | H23 | 118.1° | 120.0° |
| N2 | C2 | C3 | 126.7° | 119.2° |
| N2 | C2 | N3 | 127.6° | 134.8° |
| C14 | C13 | C12 | 121.0° | 120.1° |
| C13 | C14 | C15 | 120.9° | 119.9° |
| C14 | C13 | H15 | 119.5° | 119.9° |
| C13 | C14 | H16 | 119.5° | 120.1° |
| C13 | C12 | C9 | 120.3° | 119.9° |
| C13 | C12 | C17 | 118.3° | 120.3° |
| C12 | C13 | H15 | 119.5° | 120.0° |
| N5 | C9 | C12 | 113.9° | 109.5° |
| C9 | N5 | C4 | 123.8° | 120.0° |
| N5 | C9 | H10 | 108.3° | 109.5° |
| N5 | C9 | H11 | 108.4° | 109.5° |
| C9 | N5 | H9 | 105.8° | 120.0° |
| C9 | C12 | C17 | 121.4° | 119.9° |
| C12 | C9 | H10 | 108.4° | 109.4° |
| C12 | C9 | H11 | 108.4° | 109.4° |
| N5 | C4 | C3 | 121.4° | 120.8° |
| C4 | N5 | H9 | 105.8° | 120.0° |
| C4 | C3 | C2 | 116.2° | 118.3° |
| C4 | C3 | N4 | 132.9° | 134.5° |
| C3 | C2 | N3 | 105.7° | 106.0° |
| C2 | C3 | N4 | 110.8° | 107.1° |
| C2 | N3 | C6 | 129.6° | 126.3° |
| C2 | N3 | C5 | 105.6° | 107.4° |
| C14 | C15 | C18 | 120.3° | 120.1° |
| C14 | C15 | C16 | 118.1° | 119.7° |
| C15 | C14 | H16 | 119.6° | 120.1° |
| C12 | C17 | C16 | 121.0° | 120.1° |
| C12 | C17 | H18 | 119.5° | 120.0° |
| C3 | N4 | C5 | 103.8° | 109.5° |
| N3 | C6 | C7 | 110.3° | 109.5° |
| C6 | N3 | C5 | 124.8° | 126.3° |
| N3 | C6 | H2 | 107.2° | 109.5° |
| C7 | C6 | H2 | 106.6° | 109.5° |
| C6 | C7 | H5 | 109.5° | 109.5° |
| C6 | C7 | H3 | 109.5° | 109.5° |
| C6 | C7 | H4 | 109.5° | 109.5° |
| N3 | C5 | N4 | 114.0° | 109.9° |
| N3 | C5 | H1 | 123.0° | 125.0° |
| C22 | N7 | C18 | 118.0° | 121.6° |
| N7 | C22 | C21 | 123.6° | 120.9° |
| N7 | C22 | H22 | 118.2° | 119.6° |
| N7 | C18 | C15 | 115.8° | 119.8° |
| N7 | C18 | C19 | 121.6° | 120.5° |
| N4 | C5 | H1 | 123.0° | 125.1° |
| C18 | C15 | C16 | 121.5° | 120.2° |
| C15 | C18 | C19 | 122.6° | 119.7° |
| C15 | C16 | C17 | 120.7° | 119.9° |
| C15 | C16 | H17 | 119.7° | 120.0° |
| C22 | C21 | C20 | 118.1° | 119.4° |
| C22 | C21 | H21 | 120.9° | 120.3° |
| C21 | C22 | H22 | 118.2° | 119.5° |
| C17 | C16 | H17 | 119.6° | 120.1° |
| C16 | C17 | H18 | 119.5° | 119.9° |
| C18 | C19 | C20 | 119.5° | 119.1° |
| C18 | C19 | H19 | 120.3° | 120.5° |
| C21 | C20 | C19 | 119.2° | 118.5° |
| C21 | C20 | H20 | 120.4° | 120.8° |
| C20 | C21 | H21 | 120.9° | 120.3° |
| C20 | C19 | H19 | 120.2° | 120.4° |
| C19 | C20 | H20 | 120.4° | 120.8° |
| H5 | C7 | H3 | 109.5° | 109.4° |
| H5 | C7 | H4 | 109.5° | 109.4° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H6 | 109.5° | 109.4° |
| H8 | C8 | H6 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.4° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H27 | C24 | H26 | 109.5° | 109.5° |
| H32 | C31 | H33 | 109.5° | 109.5° |
| H32 | C31 | H34 | 109.5° | 109.5° |
| H33 | C31 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C29 | C30 | H30 | 180.0° | 179.7° |
| C29 | C28 | C27 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C25 | 0.3° | 0.5° |
| C29 | C28 | C27 | C26 | 0.3° | 0.0° |
| C29 | C28 | C27 | H28 | 179.7° | 179.9° |
| C28 | C29 | C30 | H31 | 179.8° | 180.0° |
| C30 | C29 | C28 | C27 | 0.1° | 0.2° |
| C29 | C30 | C25 | H31 | 180.0° | 179.5° |
| C29 | C30 | C25 | C26 | 0.9° | 0.5° |
| C29 | C30 | C25 | C24 | 179.5° | 179.8° |
| C30 | C29 | C28 | H29 | 179.9° | 179.8° |
| C28 | C27 | C26 | H28 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 1.0° | 0.0° |
| C28 | C27 | C26 | O2 | 179.7° | 179.9° |
| C27 | C28 | C29 | H30 | 179.9° | 180.0° |
| C30 | C25 | C26 | C27 | 1.3° | 0.3° |
| C30 | C25 | C26 | C24 | 178.6° | 179.7° |
| C30 | C25 | C26 | O2 | 179.4° | 179.8° |
| C30 | C25 | C24 | C23 | 107.8° | 95.3° |
| C30 | C25 | C24 | H27 | 12.5° | 144.8° |
| C30 | C25 | C24 | H26 | 132.0° | 24.7° |
| C25 | C30 | C29 | H30 | 179.7° | 179.7° |
| C27 | C26 | C25 | O2 | 179.3° | 179.9° |
| C27 | C26 | C25 | C24 | 179.9° | 180.0° |
| C27 | C26 | O2 | C31 | 51.7° | 0.0° |
| C26 | C27 | C28 | H29 | 179.7° | 180.0° |
| C25 | C26 | O2 | C31 | 129.0° | 180.0° |
| C26 | C25 | C24 | C23 | 70.7° | 85.0° |
| C26 | C25 | C24 | H27 | 169.0° | 34.9° |
| C26 | C25 | C24 | H26 | 49.5° | 155.0° |
| C25 | C26 | C27 | H28 | 179.0° | 179.9° |
| C26 | C25 | C30 | H31 | 179.1° | 180.0° |
| O2 | C26 | C25 | C24 | 0.8° | 0.1° |
| O2 | C26 | C27 | H28 | 0.2° | 0.0° |
| C26 | O2 | C31 | H32 | 180.0° | 60.0° |
| C26 | O2 | C31 | H33 | 60.0° | 180.0° |
| C26 | O2 | C31 | H34 | 60.0° | 60.0° |
| C25 | C24 | C23 | H27 | 120.3° | 120.0° |
| C25 | C24 | C23 | H26 | 120.2° | 120.0° |
| C25 | C24 | C23 | N8 | 30.3° | 180.0° |
| C25 | C24 | C23 | H24 | 150.7° | 60.0° |
| C25 | C24 | C23 | H25 | 90.2° | 60.0° |
| C25 | C24 | H27 | H26 | 119.2° | 120.1° |
| C24 | C25 | C30 | H31 | 0.5° | 0.3° |
| O2 | C31 | H32 | H33 | 120.0° | 120.0° |
| O2 | C31 | H32 | H34 | 120.0° | 119.9° |
| O2 | C31 | H33 | H34 | 120.0° | 120.0° |
| C10 | N6 | C1 | H12 | 121.9° | 180.0° |
| N6 | C10 | C11 | O1 | 4.0° | 0.0° |
| N6 | C10 | C11 | H13 | 120.4° | 120.0° |
| N6 | C10 | C11 | H14 | 120.4° | 120.0° |
| N6 | C10 | C11 | N8 | 176.3° | 180.0° |
| C10 | N6 | C1 | N1 | 50.4° | 0.1° |
| C10 | N6 | C1 | N2 | 127.3° | 179.7° |
| N6 | C10 | H13 | H14 | 118.7° | 120.0° |
| C1 | N6 | C10 | C11 | 125.4° | 180.0° |
| N6 | C1 | N1 | N2 | 177.5° | 179.8° |
| N6 | C1 | N1 | C4 | 178.7° | 179.8° |
| N6 | C1 | N2 | C2 | 178.8° | 179.8° |
| C1 | N6 | C10 | H13 | 5.0° | 60.0° |
| C1 | N6 | C10 | H14 | 114.1° | 59.9° |
| C24 | C23 | N8 | C11 | 75.0° | 180.0° |
| C24 | C23 | N8 | H24 | 120.4° | 120.1° |
| C24 | C23 | N8 | H25 | 120.5° | 120.0° |
| C24 | C23 | H24 | H25 | 118.7° | 120.0° |
| C23 | C24 | H27 | H26 | 119.2° | 120.0° |
| C24 | C23 | N8 | H23 | 105.0° | 0.0° |
| O1 | C11 | C10 | N8 | 179.7° | 180.0° |
| O1 | C11 | N8 | C23 | 179.9° | 0.0° |
| O1 | C11 | C10 | H13 | 124.5° | 120.0° |
| O1 | C11 | C10 | H14 | 116.4° | 120.0° |
| O1 | C11 | N8 | H23 | 0.1° | 180.0° |
| C10 | C11 | N8 | C23 | 0.5° | 179.9° |
| C11 | C10 | H13 | H14 | 118.7° | 120.0° |
| C11 | C10 | N6 | H12 | 3.5° | 0.0° |
| C10 | C11 | N8 | H23 | 179.5° | 0.0° |
| C11 | N8 | C23 | H23 | 180.0° | 180.0° |
| N8 | C11 | C10 | H13 | 55.9° | 60.0° |
| N8 | C11 | C10 | H14 | 63.3° | 60.0° |
| C11 | N8 | C23 | H24 | 45.5° | 60.0° |
| C11 | N8 | C23 | H25 | 164.6° | 60.0° |
| N1 | C1 | N2 | C2 | 1.3° | 0.0° |
| C1 | N1 | C4 | N5 | 178.9° | 180.0° |
| C1 | N1 | C4 | C3 | 0.2° | 0.0° |
| N1 | C1 | N6 | H12 | 172.4° | 180.0° |
| N2 | C1 | N1 | C4 | 1.2° | 0.0° |
| C1 | N2 | C2 | C3 | 0.5° | 0.0° |
| C1 | N2 | C2 | N3 | 179.2° | 180.0° |
| N2 | C1 | N6 | H12 | 5.3° | 0.2° |
| C8 | C6 | N3 | C2 | 43.6° | 120.0° |
| C8 | C6 | N3 | C7 | 127.1° | 119.9° |
| C8 | C6 | N3 | H2 | 117.2° | 120.0° |
| C8 | C6 | C7 | H2 | 116.9° | 120.0° |
| C8 | C6 | N3 | C5 | 136.9° | 60.0° |
| C8 | C6 | C7 | H5 | 180.0° | 60.0° |
| C8 | C6 | C7 | H3 | 60.0° | 180.0° |
| C8 | C6 | C7 | H4 | 60.0° | 60.0° |
| C6 | C8 | H7 | H8 | 120.0° | 120.0° |
| C6 | C8 | H7 | H6 | 120.0° | 120.0° |
| C6 | C8 | H8 | H6 | 120.0° | 120.0° |
| N1 | C4 | N5 | C9 | 7.3° | 0.0° |
| N1 | C4 | N5 | C3 | 179.0° | 180.0° |
| N1 | C4 | C3 | C2 | 0.5° | 0.0° |
| N1 | C4 | C3 | N4 | 180.0° | 180.0° |
| N1 | C4 | N5 | H9 | 129.3° | 180.0° |
| N8 | C23 | H24 | H25 | 118.6° | 119.9° |
| N8 | C23 | C24 | H27 | 90.0° | 60.1° |
| N8 | C23 | C24 | H26 | 150.5° | 59.9° |
| N2 | C2 | C3 | C4 | 0.3° | 0.0° |
| N2 | C2 | C3 | N3 | 179.7° | 180.0° |
| N2 | C2 | C3 | N4 | 179.9° | 180.0° |
| N2 | C2 | N3 | C6 | 0.2° | 0.0° |
| N2 | C2 | N3 | C5 | 179.8° | 180.0° |
| C14 | C13 | C12 | H15 | 180.0° | 179.9° |
| C14 | C13 | C12 | C9 | 179.9° | 179.9° |
| C13 | C14 | C15 | H16 | 180.0° | 179.9° |
| C14 | C13 | C12 | C17 | 0.2° | 0.3° |
| C13 | C14 | C15 | C18 | 179.5° | 180.0° |
| C13 | C14 | C15 | C16 | 0.8° | 0.0° |
| C13 | C12 | C9 | N5 | 94.9° | 89.7° |
| C13 | C12 | C9 | C17 | 179.7° | 179.8° |
| C12 | C13 | C14 | C15 | 0.4° | 0.1° |
| C13 | C12 | C17 | C16 | 0.3° | 0.5° |
| C13 | C12 | C9 | H10 | 144.4° | 30.2° |
| C13 | C12 | C9 | H11 | 25.7° | 150.2° |
| C12 | C13 | C14 | H16 | 179.6° | 180.0° |
| C13 | C12 | C17 | H18 | 179.7° | 179.7° |
| N5 | C9 | C12 | H10 | 120.6° | 120.0° |
| N5 | C9 | C12 | H11 | 120.6° | 120.0° |
| C9 | N5 | C4 | H9 | 122.0° | 180.0° |
| C9 | N5 | C4 | C3 | 171.7° | 180.0° |
| N5 | C9 | C12 | C17 | 85.4° | 90.0° |
| N5 | C9 | H10 | H11 | 118.0° | 120.1° |
| C12 | C9 | N5 | C4 | 70.9° | 180.0° |
| C9 | C12 | C17 | C16 | 180.0° | 179.7° |
| C12 | C9 | H10 | H11 | 118.0° | 120.0° |
| C9 | C12 | C13 | H15 | 0.1° | 0.0° |
| C9 | C12 | C17 | H18 | 0.0° | 0.1° |
| C12 | C9 | N5 | H9 | 167.1° | 0.0° |
| N5 | C4 | C3 | C2 | 179.5° | 180.0° |
| N5 | C4 | C3 | N4 | 1.0° | 0.1° |
| C4 | N5 | C9 | H10 | 168.5° | 60.0° |
| C4 | N5 | C9 | H11 | 49.8° | 60.0° |
| C4 | C3 | C2 | N4 | 179.6° | 179.9° |
| C4 | C3 | C2 | N3 | 179.9° | 180.0° |
| C4 | C3 | N4 | C5 | 179.6° | 180.0° |
| C3 | C4 | N5 | H9 | 49.7° | 0.0° |
| C3 | C2 | N3 | C6 | 179.9° | 180.0° |
| C3 | C2 | N3 | C5 | 0.5° | 0.0° |
| C2 | C3 | N4 | C5 | 0.0° | 0.0° |
| N3 | C2 | C3 | N4 | 0.3° | 0.0° |
| C2 | N3 | C6 | C5 | 179.5° | 180.0° |
| C2 | N3 | C6 | C7 | 83.4° | 120.0° |
| C2 | N3 | C5 | N4 | 0.5° | 0.0° |
| C2 | N3 | C5 | H1 | 179.5° | 180.0° |
| C2 | N3 | C6 | H2 | 160.8° | 0.0° |
| C14 | C15 | C18 | N7 | 22.6° | 0.3° |
| C14 | C15 | C18 | C16 | 178.7° | 180.0° |
| C14 | C15 | C16 | C17 | 0.6° | 0.2° |
| C14 | C15 | C18 | C19 | 157.9° | 180.0° |
| C15 | C14 | C13 | H15 | 179.6° | 180.0° |
| C14 | C15 | C16 | H17 | 179.4° | 180.0° |
| C12 | C17 | C16 | C15 | 0.0° | 0.5° |
| C12 | C17 | C16 | H18 | 180.0° | 179.8° |
| C17 | C12 | C9 | H10 | 35.2° | 150.0° |
| C17 | C12 | C9 | H11 | 154.0° | 30.0° |
| C17 | C12 | C13 | H15 | 179.8° | 179.8° |
| C12 | C17 | C16 | H17 | 180.0° | 179.7° |
| C3 | N4 | C5 | N3 | 0.3° | 0.0° |
| C3 | N4 | C5 | H1 | 179.7° | 179.9° |
| N3 | C6 | C7 | H2 | 116.1° | 120.1° |
| C6 | N3 | C5 | N4 | 179.9° | 180.0° |
| C6 | N3 | C5 | H1 | 0.1° | 0.0° |
| N3 | C6 | C7 | H5 | 53.1° | 180.0° |
| N3 | C6 | C7 | H3 | 66.9° | 60.1° |
| N3 | C6 | C7 | H4 | 173.1° | 60.0° |
| N3 | C6 | C8 | H7 | 180.0° | 60.0° |
| N3 | C6 | C8 | H8 | 60.0° | 180.0° |
| N3 | C6 | C8 | H6 | 60.0° | 59.9° |
| C7 | C6 | N3 | C5 | 96.1° | 59.9° |
| C6 | C7 | H5 | H3 | 120.0° | 120.0° |
| C6 | C7 | H5 | H4 | 120.0° | 120.0° |
| C6 | C7 | H3 | H4 | 120.0° | 120.0° |
| C7 | C6 | C8 | H7 | 54.3° | 180.0° |
| C7 | C6 | C8 | H8 | 65.7° | 60.0° |
| C7 | C6 | C8 | H6 | 174.3° | 60.0° |
| N3 | C5 | N4 | H1 | 180.0° | 180.0° |
| C5 | N3 | C6 | H2 | 19.7° | 180.0° |
| C22 | N7 | C18 | C15 | 179.8° | 179.7° |
| N7 | C22 | C21 | H22 | 180.0° | 179.7° |
| C22 | N7 | C18 | C19 | 0.4° | 0.5° |
| N7 | C22 | C21 | C20 | 0.1° | 0.3° |
| N7 | C22 | C21 | H21 | 179.9° | 179.7° |
| N7 | C18 | C15 | C19 | 179.4° | 179.7° |
| N7 | C18 | C15 | C16 | 156.1° | 179.7° |
| C18 | N7 | C22 | C21 | 0.0° | 0.6° |
| N7 | C18 | C19 | C20 | 0.6° | 0.2° |
| N7 | C18 | C19 | H19 | 179.4° | 179.8° |
| C18 | N7 | C22 | H22 | 180.0° | 179.7° |
| C18 | C15 | C16 | C17 | 179.3° | 179.8° |
| C15 | C18 | C19 | C20 | 180.0° | 180.0° |
| C18 | C15 | C14 | H16 | 0.5° | 0.1° |
| C18 | C15 | C16 | H17 | 0.7° | 0.0° |
| C15 | C18 | C19 | H19 | 0.0° | 0.0° |
| C15 | C16 | C17 | H17 | 180.0° | 179.8° |
| C16 | C15 | C18 | C19 | 23.4° | 0.0° |
| C16 | C15 | C14 | H16 | 179.2° | 180.0° |
| C15 | C16 | C17 | H18 | 179.9° | 179.7° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.0° |
| C22 | C21 | C20 | H20 | 179.9° | 180.0° |
| C18 | C19 | C20 | C21 | 0.4° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | H20 | 179.6° | 180.0° |
| C21 | C20 | C19 | H20 | 180.0° | 179.9° |
| C21 | C20 | C19 | H19 | 179.6° | 180.0° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| H2 | C6 | C7 | H5 | 63.1° | 60.0° |
| H2 | C6 | C7 | H3 | 176.9° | 60.0° |
| H2 | C6 | C7 | H4 | 57.0° | 179.9° |
| H2 | C6 | C8 | H7 | 62.6° | 60.1° |
| H2 | C6 | C8 | H8 | 177.4° | 59.9° |
| H2 | C6 | C8 | H6 | 57.5° | 180.0° |
| H5 | C7 | H3 | H4 | 120.0° | 120.0° |
| H7 | C8 | H8 | H6 | 120.0° | 120.0° |
| H10 | C9 | N5 | H9 | 46.5° | 119.9° |
| H11 | C9 | N5 | H9 | 72.2° | 120.0° |
| H13 | C10 | N6 | H12 | 117.0° | 120.0° |
| H14 | C10 | N6 | H12 | 123.9° | 120.0° |
| H15 | C13 | C14 | H16 | 0.4° | 0.1° |
| H17 | C16 | C17 | H18 | 0.0° | 0.1° |
| H19 | C19 | C20 | H20 | 0.4° | 0.0° |
| H20 | C20 | C21 | H21 | 0.1° | 0.0° |
| H21 | C21 | C22 | H22 | 0.1° | 0.0° |
| H24 | C23 | C24 | H27 | 30.5° | 59.9° |
| H24 | C23 | C24 | H26 | 89.0° | 180.0° |
| H24 | C23 | N8 | H23 | 134.5° | 120.0° |
| H25 | C23 | C24 | H27 | 149.6° | 180.0° |
| H25 | C23 | C24 | H26 | 30.1° | 60.0° |
| H25 | C23 | N8 | H23 | 15.4° | 120.0° |
| H28 | C27 | C28 | H29 | 0.3° | 0.0° |
| H29 | C28 | C29 | H30 | 0.1° | 0.0° |
| H30 | C29 | C30 | H31 | 0.3° | 0.2° |
| H32 | C31 | H33 | H34 | 120.0° | 120.1° |
