B4C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | C30 | sing | 1.53Å | 1.57Å | |
| C25 | N4 | sing | 1.46Å | 1.48Å | |
| C24 | C15 | sing | 1.51Å | 1.51Å | |
| C24 | O4 | doub | 1.21Å | 1.23Å | |
| C24 | N4 | sing | 1.35Å | 1.32Å | |
| C23 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C5 | sing | 1.51Å | 1.53Å | |
| C14 | O3 | doub | 1.21Å | 1.23Å | |
| C14 | N3 | sing | 1.35Å | 1.30Å | |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.56Å | |
| C15 | N3 | sing | 1.47Å | 1.49Å | |
| C8 | C7 | sing | 1.51Å | 1.37Å | |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | O2 | sing | 1.45Å | 1.44Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | N2 | sing | 1.47Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.51Å | 1.51Å | |
| C30 | O5 | sing | 1.43Å | 1.25Å | |
| C31 | O6 | sing | 1.34Å | 1.35Å | Aromatic |
| C31 | N6 | doub | 1.30Å | 1.33Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| O2 | C6 | sing | 1.35Å | 1.35Å | |
| C6 | O1 | doub | 1.21Å | 1.23Å | |
| C6 | N2 | sing | 1.35Å | 1.32Å | |
| C1 | N1 | sing | 1.47Å | 1.48Å | |
| C29 | N5 | sing | 1.47Å | 1.46Å | |
| O6 | C37 | sing | 1.35Å | 1.36Å | Aromatic |
| C37 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C37 | C32 | sing | 1.40Å | 1.38Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C32 | doub | 1.40Å | 1.39Å | Aromatic |
| C32 | N6 | sing | 1.36Å | 1.36Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| N5 | HN5 | sing | 1.01Å | 1.00Å | |
| N5 | HN5A | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C11 | 120.6° | 120.0° |
| C10 | C9 | C8 | 119.7° | 120.0° |
| C9 | C10 | H10 | 119.7° | 120.0° |
| C10 | C9 | H9 | 120.2° | 120.0° |
| C10 | C11 | C12 | 119.3° | 120.0° |
| C11 | C10 | H10 | 119.7° | 120.0° |
| C10 | C11 | H11 | 120.4° | 120.0° |
| C13 | C12 | C11 | 120.2° | 120.0° |
| C12 | C13 | C8 | 119.6° | 120.0° |
| C13 | C12 | H12 | 119.9° | 120.0° |
| C12 | C13 | H13 | 120.2° | 119.9° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| C12 | C11 | H11 | 120.3° | 120.0° |
| C20 | C21 | C22 | 119.2° | 120.0° |
| C21 | C20 | C19 | 120.0° | 120.0° |
| C20 | C21 | H21 | 120.4° | 120.0° |
| C21 | C20 | H20 | 120.0° | 120.0° |
| C21 | C22 | C23 | 121.2° | 120.0° |
| C22 | C21 | H21 | 120.4° | 120.0° |
| C21 | C22 | H22 | 119.4° | 119.9° |
| C27 | C28 | C29 | 112.2° | 109.5° |
| C28 | C27 | C26 | 109.8° | 109.5° |
| C27 | C28 | H28 | 108.6° | 109.5° |
| C27 | C28 | H28A | 107.9° | 109.4° |
| C28 | C27 | H27 | 109.4° | 109.5° |
| C28 | C27 | H27A | 109.3° | 109.5° |
| C28 | C29 | N5 | 111.3° | 109.4° |
| C29 | C28 | H28 | 108.5° | 109.5° |
| C29 | C28 | H28A | 107.9° | 109.5° |
| C28 | C29 | H29 | 108.9° | 109.5° |
| C28 | C29 | H29A | 108.4° | 109.5° |
| C27 | C26 | C25 | 111.5° | 109.5° |
| C26 | C27 | H27 | 109.4° | 109.4° |
| C26 | C27 | H27A | 109.3° | 109.5° |
| C27 | C26 | H26 | 108.8° | 109.4° |
| C27 | C26 | H26A | 108.3° | 109.5° |
| C26 | C25 | C30 | 108.1° | 109.5° |
| C26 | C25 | N4 | 110.6° | 109.5° |
| C25 | C26 | H26 | 108.8° | 109.5° |
| C25 | C26 | H26A | 108.4° | 109.5° |
| C26 | C25 | H25 | 109.5° | 109.5° |
| C30 | C25 | N4 | 109.2° | 109.5° |
| C25 | C30 | C31 | 105.0° | 109.4° |
| C25 | C30 | O5 | 110.9° | 109.5° |
| C30 | C25 | H25 | 111.0° | 109.5° |
| C25 | C30 | H30 | 110.9° | 109.5° |
| C25 | N4 | C24 | 120.6° | 120.0° |
| N4 | C25 | H25 | 108.5° | 109.5° |
| C25 | N4 | HN4 | 119.7° | 120.0° |
| C15 | C24 | O4 | 122.3° | 120.0° |
| C15 | C24 | N4 | 113.7° | 120.0° |
| C24 | C15 | C16 | 108.8° | 109.5° |
| C24 | C15 | N3 | 109.2° | 109.4° |
| C24 | C15 | H15 | 110.3° | 109.5° |
| O4 | C24 | N4 | 124.0° | 119.9° |
| C24 | N4 | HN4 | 119.7° | 119.9° |
| C18 | C23 | C22 | 119.4° | 120.0° |
| C23 | C18 | C19 | 119.4° | 120.0° |
| C23 | C18 | C17 | 120.0° | 120.0° |
| C18 | C23 | H23 | 120.3° | 120.0° |
| C22 | C23 | H23 | 120.3° | 120.0° |
| C23 | C22 | H22 | 119.4° | 120.1° |
| C13 | C8 | C7 | 119.9° | 120.0° |
| C13 | C8 | C9 | 120.6° | 120.0° |
| C8 | C13 | H13 | 120.2° | 120.1° |
| C5 | C14 | O3 | 121.3° | 120.0° |
| C5 | C14 | N3 | 115.0° | 120.0° |
| C14 | C5 | C4 | 111.5° | 109.5° |
| C14 | C5 | N2 | 104.4° | 109.4° |
| C14 | C5 | H5 | 111.2° | 109.5° |
| O3 | C14 | N3 | 123.7° | 120.0° |
| C14 | N3 | C15 | 120.0° | 120.0° |
| C14 | N3 | HN3 | 120.0° | 120.0° |
| C18 | C19 | C20 | 120.8° | 120.0° |
| C19 | C18 | C17 | 120.6° | 120.0° |
| C18 | C19 | H19 | 119.6° | 120.0° |
| C20 | C19 | H19 | 119.6° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C18 | C17 | C16 | 111.5° | 109.5° |
| C18 | C17 | H17 | 108.8° | 109.5° |
| C18 | C17 | H17A | 108.4° | 109.4° |
| C17 | C16 | C15 | 110.1° | 109.5° |
| C16 | C17 | H17 | 108.8° | 109.5° |
| C16 | C17 | H17A | 108.3° | 109.5° |
| C17 | C16 | H16 | 109.3° | 109.5° |
| C17 | C16 | H16A | 109.1° | 109.5° |
| C16 | C15 | N3 | 110.0° | 109.5° |
| C15 | C16 | H16 | 109.3° | 109.4° |
| C15 | C16 | H16A | 109.1° | 109.5° |
| C16 | C15 | H15 | 109.5° | 109.5° |
| N3 | C15 | H15 | 109.1° | 109.5° |
| C15 | N3 | HN3 | 120.0° | 120.0° |
| C7 | C8 | C9 | 119.6° | 120.0° |
| C8 | C7 | O2 | 116.8° | 109.5° |
| C8 | C7 | H7 | 107.1° | 109.4° |
| C8 | C7 | H7A | 105.4° | 109.5° |
| C8 | C9 | H9 | 120.1° | 120.0° |
| C7 | O2 | C6 | 108.9° | 117.0° |
| O2 | C7 | H7 | 107.1° | 109.5° |
| O2 | C7 | H7A | 105.4° | 109.5° |
| C4 | C5 | N2 | 108.6° | 109.5° |
| C5 | C4 | C3 | 113.6° | 109.5° |
| C4 | C5 | H5 | 107.3° | 109.5° |
| C5 | C4 | H4 | 108.2° | 109.4° |
| C5 | C4 | H4A | 107.2° | 109.5° |
| C5 | N2 | C6 | 121.6° | 120.0° |
| N2 | C5 | H5 | 114.0° | 109.4° |
| C5 | N2 | HN2 | 119.2° | 120.0° |
| C4 | C3 | C2 | 111.5° | 109.5° |
| C3 | C4 | H4 | 108.1° | 109.5° |
| C3 | C4 | H4A | 107.2° | 109.5° |
| C4 | C3 | H3 | 108.8° | 109.5° |
| C4 | C3 | H3A | 108.4° | 109.5° |
| C3 | C2 | C1 | 109.2° | 109.5° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| C2 | C3 | H3A | 108.4° | 109.4° |
| C3 | C2 | H2 | 109.6° | 109.5° |
| C3 | C2 | H2A | 109.6° | 109.4° |
| C31 | C30 | O5 | 107.6° | 109.5° |
| C30 | C31 | O6 | 119.4° | 124.8° |
| C30 | C31 | N6 | 127.8° | 124.8° |
| C31 | C30 | H30 | 113.9° | 109.5° |
| O5 | C30 | H30 | 108.4° | 109.5° |
| C30 | O5 | HO5 | 109.5° | 114.0° |
| O6 | C31 | N6 | 112.7° | 110.3° |
| C31 | O6 | C37 | 105.5° | 108.1° |
| C31 | N6 | C32 | 105.2° | 108.8° |
| C2 | C1 | N1 | 110.3° | 109.5° |
| C1 | C2 | H2 | 109.6° | 109.5° |
| C1 | C2 | H2A | 109.6° | 109.4° |
| C2 | C1 | H1 | 109.2° | 109.5° |
| C2 | C1 | H1A | 109.0° | 109.4° |
| O2 | C6 | O1 | 120.9° | 120.0° |
| O2 | C6 | N2 | 115.8° | 120.0° |
| O1 | C6 | N2 | 123.2° | 120.0° |
| C6 | N2 | HN2 | 119.2° | 120.0° |
| N1 | C1 | H1 | 109.2° | 109.5° |
| N1 | C1 | H1A | 109.0° | 109.5° |
| C1 | N1 | HN1 | 109.5° | 110.9° |
| C1 | N1 | HN1A | 109.5° | 111.0° |
| N5 | C29 | H29 | 108.8° | 109.5° |
| N5 | C29 | H29A | 108.5° | 109.5° |
| C29 | N5 | HN5 | 109.5° | 111.0° |
| C29 | N5 | HN5A | 109.5° | 111.0° |
| O6 | C37 | C36 | 130.8° | 133.9° |
| O6 | C37 | C32 | 107.6° | 106.2° |
| C36 | C37 | C32 | 121.6° | 119.8° |
| C37 | C36 | C35 | 120.3° | 119.9° |
| C37 | C36 | H36 | 119.9° | 120.1° |
| C37 | C32 | C33 | 117.6° | 119.7° |
| C37 | C32 | N6 | 108.9° | 106.5° |
| C36 | C35 | C34 | 118.8° | 120.4° |
| C35 | C36 | H36 | 119.9° | 120.1° |
| C36 | C35 | H35 | 120.6° | 119.7° |
| C35 | C34 | C33 | 120.2° | 120.5° |
| C34 | C35 | H35 | 120.6° | 119.8° |
| C35 | C34 | H34 | 119.9° | 119.7° |
| C34 | C33 | C32 | 121.6° | 119.7° |
| C33 | C34 | H34 | 119.9° | 119.8° |
| C34 | C33 | H33 | 119.2° | 120.2° |
| C33 | C32 | N6 | 133.5° | 133.8° |
| C32 | C33 | H33 | 119.2° | 120.1° |
| H28 | C28 | H28A | 111.7° | 109.5° |
| H27 | C27 | H27A | 109.7° | 109.4° |
| H26 | C26 | H26A | 111.1° | 109.5° |
| H17 | C17 | H17A | 111.0° | 109.5° |
| H16 | C16 | H16A | 109.9° | 109.5° |
| H7 | C7 | H7A | 115.4° | 109.5° |
| H4 | C4 | H4A | 112.7° | 109.4° |
| H3 | C3 | H3A | 111.0° | 109.5° |
| H2 | C2 | H2A | 109.3° | 109.5° |
| H1 | C1 | H1A | 110.1° | 109.5° |
| HN1 | N1 | HN1A | 109.4° | 111.0° |
| H29 | C29 | H29A | 110.9° | 109.5° |
| HN5 | N5 | HN5A | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.2° | 0.0° |
| C10 | C9 | C8 | C13 | 0.8° | 0.0° |
| C10 | C9 | C8 | C7 | 179.6° | 180.0° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C9 | C10 | C11 | H11 | 179.8° | 180.0° |
| C10 | C11 | C12 | C13 | 0.7° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.1° | 0.0° |
| C10 | C11 | C12 | H12 | 179.3° | 179.9° |
| C11 | C10 | C9 | H9 | 179.8° | 180.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C12 | C13 | C8 | H13 | 180.0° | 179.9° |
| C12 | C13 | C8 | C7 | 178.8° | 180.0° |
| C12 | C13 | C8 | C9 | 1.7° | 0.0° |
| C13 | C12 | C11 | H11 | 179.3° | 180.0° |
| C11 | C12 | C13 | C8 | 1.6° | 0.0° |
| C12 | C11 | C10 | H10 | 179.8° | 179.8° |
| C11 | C12 | C13 | H13 | 178.3° | 179.9° |
| C20 | C21 | C22 | H21 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 1.5° | 0.0° |
| C21 | C20 | C19 | C18 | 0.7° | 0.0° |
| C21 | C20 | C19 | H20 | 180.0° | 179.9° |
| C21 | C20 | C19 | H19 | 179.3° | 180.0° |
| C20 | C21 | C22 | H22 | 178.5° | 180.0° |
| C21 | C22 | C23 | C18 | 1.8° | 0.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.9° | 0.0° |
| C21 | C22 | C23 | H23 | 178.2° | 179.9° |
| C22 | C21 | C20 | H20 | 179.1° | 179.9° |
| C27 | C28 | C29 | H28 | 120.0° | 120.0° |
| C27 | C28 | C29 | H28A | 118.8° | 119.9° |
| C28 | C27 | C26 | H27 | 120.0° | 120.0° |
| C28 | C27 | C26 | H27A | 119.9° | 120.1° |
| C28 | C27 | C26 | C25 | 174.0° | 180.0° |
| C27 | C28 | C29 | N5 | 49.9° | 180.0° |
| C27 | C28 | H28 | H28A | 118.9° | 119.9° |
| C28 | C27 | H27 | H27A | 119.9° | 120.0° |
| C28 | C27 | C26 | H26 | 54.0° | 60.1° |
| C28 | C27 | C26 | H26A | 66.8° | 60.0° |
| C27 | C28 | C29 | H29 | 70.1° | 60.0° |
| C27 | C28 | C29 | H29A | 169.1° | 60.0° |
| C29 | C28 | C27 | C26 | 170.4° | 180.0° |
| C28 | C29 | N5 | H29 | 120.0° | 120.0° |
| C28 | C29 | N5 | H29A | 119.2° | 120.0° |
| C29 | C28 | H28 | H28A | 118.8° | 120.1° |
| C29 | C28 | C27 | H27 | 50.3° | 60.0° |
| C29 | C28 | C27 | H27A | 69.8° | 59.9° |
| C28 | C29 | H29 | H29A | 119.2° | 120.0° |
| C28 | C29 | N5 | HN5 | 2.6° | 56.1° |
| C28 | C29 | N5 | HN5A | 122.6° | 180.0° |
| C27 | C26 | C25 | H26 | 120.0° | 119.9° |
| C27 | C26 | C25 | H26A | 119.1° | 120.0° |
| C27 | C26 | C25 | C30 | 169.8° | 175.0° |
| C27 | C26 | C25 | N4 | 70.7° | 65.0° |
| C26 | C27 | C28 | H28 | 50.4° | 59.9° |
| C26 | C27 | C28 | H28A | 70.9° | 60.0° |
| C26 | C27 | H27 | H27A | 119.9° | 120.0° |
| C27 | C26 | H26 | H26A | 119.2° | 120.0° |
| C27 | C26 | C25 | H25 | 48.8° | 55.0° |
| C26 | C25 | C30 | N4 | 120.4° | 120.0° |
| C26 | C25 | C30 | H25 | 120.1° | 120.0° |
| C26 | C25 | N4 | H25 | 120.1° | 120.0° |
| C26 | C25 | N4 | C24 | 132.6° | 85.0° |
| C26 | C25 | C30 | C31 | 179.8° | 65.0° |
| C26 | C25 | C30 | O5 | 64.2° | 55.0° |
| C25 | C26 | C27 | H27 | 66.0° | 60.0° |
| C25 | C26 | C27 | H27A | 54.1° | 59.9° |
| C25 | C26 | H26 | H26A | 119.2° | 120.1° |
| C26 | C25 | C30 | H30 | 56.3° | 175.0° |
| C26 | C25 | N4 | HN4 | 47.4° | 95.0° |
| C30 | C25 | N4 | H25 | 121.0° | 120.0° |
| C30 | C25 | N4 | C24 | 108.6° | 155.0° |
| C25 | C30 | C31 | O5 | 118.2° | 120.0° |
| C25 | C30 | C31 | H30 | 121.6° | 120.0° |
| C25 | C30 | O5 | H30 | 122.0° | 120.0° |
| C25 | C30 | C31 | O6 | 75.2° | 105.0° |
| C25 | C30 | C31 | N6 | 101.0° | 74.7° |
| C30 | C25 | C26 | H26 | 49.8° | 55.1° |
| C30 | C25 | C26 | H26A | 71.1° | 65.0° |
| C30 | C25 | N4 | HN4 | 71.4° | 25.0° |
| C25 | C30 | O5 | HO5 | 151.3° | 59.9° |
| C25 | N4 | C24 | C15 | 179.9° | 180.0° |
| C25 | N4 | C24 | O4 | 0.3° | 0.0° |
| C25 | N4 | C24 | HN4 | 180.0° | 180.0° |
| N4 | C25 | C30 | C31 | 59.4° | 175.0° |
| N4 | C25 | C30 | O5 | 175.4° | 65.0° |
| N4 | C25 | C26 | H26 | 169.3° | 175.1° |
| N4 | C25 | C26 | H26A | 48.4° | 55.0° |
| N4 | C25 | C30 | H30 | 64.1° | 55.1° |
| C15 | C24 | O4 | N4 | 179.8° | 179.9° |
| C24 | C15 | N3 | C14 | 70.8° | 155.0° |
| C24 | C15 | C16 | C17 | 165.9° | 175.0° |
| C24 | C15 | C16 | N3 | 119.5° | 120.0° |
| C24 | C15 | C16 | H15 | 120.6° | 120.0° |
| C24 | C15 | N3 | H15 | 120.6° | 119.9° |
| C24 | C15 | C16 | H16 | 74.1° | 55.0° |
| C24 | C15 | C16 | H16A | 46.1° | 65.0° |
| C24 | C15 | N3 | HN3 | 109.2° | 25.0° |
| C15 | C24 | N4 | HN4 | 0.1° | 0.0° |
| O4 | C24 | C15 | C16 | 87.9° | 120.0° |
| O4 | C24 | C15 | N3 | 32.2° | 0.0° |
| O4 | C24 | C15 | H15 | 152.0° | 120.0° |
| O4 | C24 | N4 | HN4 | 179.7° | 180.0° |
| N4 | C24 | C15 | C16 | 92.0° | 60.0° |
| N4 | C24 | C15 | N3 | 148.0° | 180.0° |
| C24 | N4 | C25 | H25 | 12.4° | 35.0° |
| N4 | C24 | C15 | H15 | 28.1° | 60.1° |
| C18 | C23 | C22 | H23 | 180.0° | 179.9° |
| C23 | C18 | C19 | C17 | 178.2° | 180.0° |
| C23 | C18 | C19 | C20 | 1.0° | 0.0° |
| C23 | C18 | C17 | C16 | 62.6° | 90.0° |
| C23 | C18 | C19 | H19 | 179.0° | 180.0° |
| C23 | C18 | C17 | H17 | 57.3° | 150.0° |
| C23 | C18 | C17 | H17A | 178.2° | 30.0° |
| C18 | C23 | C22 | H22 | 178.2° | 180.0° |
| C22 | C23 | C18 | C19 | 1.6° | 0.0° |
| C22 | C23 | C18 | C17 | 179.7° | 180.0° |
| C23 | C22 | C21 | H21 | 178.5° | 179.7° |
| C13 | C8 | C7 | C9 | 179.5° | 180.0° |
| C13 | C8 | C7 | O2 | 145.1° | 90.1° |
| C8 | C13 | C12 | H12 | 178.3° | 179.9° |
| C13 | C8 | C7 | H7 | 94.9° | 150.0° |
| C13 | C8 | C7 | H7A | 28.5° | 30.0° |
| C13 | C8 | C9 | H9 | 179.2° | 180.0° |
| C5 | C14 | O3 | N3 | 178.3° | 179.9° |
| C5 | C14 | N3 | C15 | 178.8° | 180.0° |
| C14 | C5 | C4 | N2 | 114.5° | 120.0° |
| C14 | C5 | C4 | H5 | 121.9° | 120.0° |
| C14 | C5 | N2 | H5 | 121.5° | 120.0° |
| C14 | C5 | C4 | C3 | 62.9° | 175.0° |
| C14 | C5 | N2 | C6 | 104.9° | 155.0° |
| C14 | C5 | C4 | H4 | 177.1° | 65.0° |
| C14 | C5 | C4 | H4A | 55.3° | 54.9° |
| C14 | C5 | N2 | HN2 | 75.1° | 25.0° |
| C5 | C14 | N3 | HN3 | 1.2° | 0.0° |
| O3 | C14 | N3 | C15 | 0.4° | 0.1° |
| O3 | C14 | C5 | C4 | 53.2° | 120.0° |
| O3 | C14 | C5 | N2 | 63.9° | 0.1° |
| O3 | C14 | C5 | H5 | 172.8° | 120.0° |
| O3 | C14 | N3 | HN3 | 179.6° | 180.0° |
| C14 | N3 | C15 | C16 | 169.9° | 85.0° |
| C14 | N3 | C15 | HN3 | 180.0° | 180.0° |
| N3 | C14 | C5 | C4 | 128.4° | 60.0° |
| N3 | C14 | C5 | N2 | 114.6° | 180.0° |
| C14 | N3 | C15 | H15 | 49.8° | 35.1° |
| N3 | C14 | C5 | H5 | 8.7° | 60.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 119.2° | 90.0° |
| C19 | C18 | C23 | H23 | 178.5° | 179.9° |
| C19 | C18 | C17 | H17 | 120.8° | 30.0° |
| C19 | C18 | C17 | H17A | 0.1° | 150.0° |
| C18 | C19 | C20 | H20 | 179.3° | 180.0° |
| C20 | C19 | C18 | C17 | 179.2° | 180.0° |
| C19 | C20 | C21 | H21 | 179.1° | 179.7° |
| C18 | C17 | C16 | H17 | 120.0° | 120.0° |
| C18 | C17 | C16 | H17A | 119.2° | 120.0° |
| C18 | C17 | C16 | C15 | 57.9° | 180.0° |
| C17 | C18 | C23 | H23 | 0.3° | 0.1° |
| C17 | C18 | C19 | H19 | 0.8° | 0.0° |
| C18 | C17 | H17 | H17A | 119.2° | 119.9° |
| C18 | C17 | C16 | H16 | 62.1° | 60.0° |
| C18 | C17 | C16 | H16A | 177.7° | 60.0° |
| C17 | C16 | C15 | H16 | 120.0° | 120.0° |
| C17 | C16 | C15 | H16A | 119.8° | 120.0° |
| C17 | C16 | C15 | N3 | 46.3° | 65.1° |
| C16 | C17 | H17 | H17A | 119.1° | 120.1° |
| C17 | C16 | H16 | H16A | 119.8° | 120.0° |
| C17 | C16 | C15 | H15 | 73.5° | 55.0° |
| C16 | C15 | N3 | H15 | 120.1° | 120.0° |
| C15 | C16 | C17 | H17 | 177.9° | 60.1° |
| C15 | C16 | C17 | H17A | 61.2° | 60.0° |
| C15 | C16 | H16 | H16A | 119.7° | 120.0° |
| C16 | C15 | N3 | HN3 | 10.1° | 95.0° |
| N3 | C15 | C16 | H16 | 166.4° | 175.0° |
| N3 | C15 | C16 | H16A | 73.4° | 55.0° |
| C8 | C7 | O2 | H7 | 120.0° | 119.9° |
| C8 | C7 | O2 | H7A | 116.6° | 120.0° |
| C8 | C7 | O2 | C6 | 156.8° | 180.0° |
| C7 | C8 | C13 | H13 | 1.3° | 0.1° |
| C8 | C7 | H7 | H7A | 117.0° | 120.0° |
| C7 | C8 | C9 | H9 | 0.3° | 0.0° |
| C9 | C8 | C7 | O2 | 35.4° | 89.9° |
| C8 | C9 | C10 | H10 | 179.8° | 179.8° |
| C9 | C8 | C13 | H13 | 178.2° | 179.9° |
| C9 | C8 | C7 | H7 | 84.6° | 30.1° |
| C9 | C8 | C7 | H7A | 152.0° | 150.0° |
| C7 | O2 | C6 | O1 | 17.4° | 0.0° |
| C7 | O2 | C6 | N2 | 163.5° | 180.0° |
| O2 | C7 | H7 | H7A | 117.0° | 120.1° |
| C4 | C5 | N2 | H5 | 119.5° | 120.0° |
| C5 | C4 | C3 | H4 | 120.0° | 120.0° |
| C5 | C4 | C3 | H4A | 118.2° | 120.0° |
| C5 | C4 | C3 | C2 | 145.9° | 180.0° |
| C4 | C5 | N2 | C6 | 136.1° | 85.0° |
| C5 | C4 | H4 | H4A | 118.4° | 120.0° |
| C5 | C4 | C3 | H3 | 94.1° | 60.0° |
| C5 | C4 | C3 | H3A | 26.8° | 60.0° |
| C4 | C5 | N2 | HN2 | 44.0° | 95.0° |
| N2 | C5 | C4 | C3 | 177.4° | 65.0° |
| C5 | N2 | C6 | O2 | 179.5° | 180.0° |
| C5 | N2 | C6 | O1 | 1.4° | 0.0° |
| C5 | N2 | C6 | HN2 | 180.0° | 180.0° |
| N2 | C5 | C4 | H4 | 62.6° | 55.0° |
| N2 | C5 | C4 | H4A | 59.2° | 174.9° |
| C4 | C3 | C2 | H3 | 120.0° | 120.0° |
| C4 | C3 | C2 | H3A | 119.2° | 120.0° |
| C4 | C3 | C2 | C1 | 173.8° | 180.0° |
| C3 | C4 | C5 | H5 | 59.1° | 55.0° |
| C3 | C4 | H4 | H4A | 118.3° | 120.0° |
| C4 | C3 | H3 | H3A | 119.2° | 120.0° |
| C4 | C3 | C2 | H2 | 66.2° | 60.0° |
| C4 | C3 | C2 | H2A | 53.7° | 60.0° |
| C3 | C2 | C1 | H2 | 120.0° | 120.0° |
| C3 | C2 | C1 | H2A | 120.1° | 120.0° |
| C3 | C2 | C1 | N1 | 64.9° | 180.0° |
| C2 | C3 | C4 | H4 | 25.9° | 60.0° |
| C2 | C3 | C4 | H4A | 95.9° | 60.0° |
| C2 | C3 | H3 | H3A | 119.2° | 120.0° |
| C3 | C2 | H2 | H2A | 120.1° | 120.0° |
| C3 | C2 | C1 | H1 | 175.1° | 60.0° |
| C3 | C2 | C1 | H1A | 54.8° | 60.0° |
| C31 | C30 | O5 | H30 | 123.7° | 120.0° |
| C30 | C31 | O6 | N6 | 176.7° | 179.8° |
| C30 | C31 | O6 | C37 | 178.2° | 180.0° |
| C30 | C31 | N6 | C32 | 177.4° | 179.9° |
| C31 | C30 | C25 | H25 | 60.1° | 55.0° |
| C31 | C30 | O5 | HO5 | 36.9° | 60.0° |
| O5 | C30 | C31 | O6 | 43.0° | 135.0° |
| O5 | C30 | C31 | N6 | 140.8° | 45.3° |
| O5 | C30 | C25 | H25 | 55.9° | 175.0° |
| C31 | O6 | C37 | C36 | 178.7° | 180.0° |
| C31 | O6 | C37 | C32 | 1.3° | 0.0° |
| O6 | C31 | N6 | C32 | 1.0° | 0.4° |
| O6 | C31 | C30 | H30 | 163.2° | 15.0° |
| N6 | C31 | O6 | C37 | 1.5° | 0.2° |
| C31 | N6 | C32 | C37 | 0.1° | 0.4° |
| C31 | N6 | C32 | C33 | 179.6° | 179.9° |
| N6 | C31 | C30 | H30 | 20.6° | 165.3° |
| C2 | C1 | N1 | H1 | 120.0° | 120.0° |
| C2 | C1 | N1 | H1A | 119.7° | 120.0° |
| C1 | C2 | C3 | H3 | 53.8° | 60.0° |
| C1 | C2 | C3 | H3A | 67.0° | 60.0° |
| C1 | C2 | H2 | H2A | 120.1° | 120.0° |
| C2 | C1 | H1 | H1A | 119.7° | 120.0° |
| C2 | C1 | N1 | HN1 | 4.6° | 180.0° |
| C2 | C1 | N1 | HN1A | 115.4° | 56.0° |
| O2 | C6 | O1 | N2 | 179.1° | 180.0° |
| C6 | O2 | C7 | H7 | 36.8° | 60.1° |
| C6 | O2 | C7 | H7A | 86.6° | 60.0° |
| O2 | C6 | N2 | HN2 | 0.5° | 0.0° |
| O1 | C6 | N2 | HN2 | 178.6° | 180.0° |
| C6 | N2 | C5 | H5 | 16.6° | 35.0° |
| N1 | C1 | C2 | H2 | 55.1° | 60.0° |
| N1 | C1 | C2 | H2A | 175.0° | 60.0° |
| N1 | C1 | H1 | H1A | 119.6° | 120.0° |
| C1 | N1 | HN1 | HN1A | 120.0° | 123.9° |
| N5 | C29 | C28 | H28 | 169.9° | 60.0° |
| N5 | C29 | C28 | H28A | 68.9° | 60.0° |
| N5 | C29 | H29 | H29A | 119.2° | 120.0° |
| C29 | N5 | HN5 | HN5A | 120.0° | 123.9° |
| O6 | C37 | C36 | C32 | 180.0° | 180.0° |
| O6 | C37 | C36 | C35 | 179.6° | 180.0° |
| O6 | C37 | C32 | C33 | 179.4° | 180.0° |
| O6 | C37 | C32 | N6 | 0.8° | 0.2° |
| O6 | C37 | C36 | H36 | 0.4° | 0.0° |
| C37 | C36 | C35 | H36 | 180.0° | 179.9° |
| C37 | C36 | C35 | C34 | 0.4° | 0.0° |
| C36 | C37 | C32 | C33 | 0.6° | 0.0° |
| C36 | C37 | C32 | N6 | 179.2° | 179.8° |
| C37 | C36 | C35 | H35 | 179.5° | 180.0° |
| C32 | C37 | C36 | C35 | 0.4° | 0.0° |
| C37 | C32 | C33 | C34 | 0.8° | 0.0° |
| C37 | C32 | C33 | N6 | 179.7° | 179.7° |
| C32 | C37 | C36 | H36 | 179.6° | 179.9° |
| C37 | C32 | C33 | H33 | 179.2° | 180.0° |
| C36 | C35 | C34 | H35 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.6° | 0.0° |
| C36 | C35 | C34 | H34 | 179.4° | 180.0° |
| C35 | C34 | C33 | H34 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 0.8° | 0.0° |
| C34 | C35 | C36 | H36 | 179.6° | 179.9° |
| C35 | C34 | C33 | H33 | 179.2° | 180.0° |
| C34 | C33 | C32 | H33 | 180.0° | 180.0° |
| C34 | C33 | C32 | N6 | 179.0° | 179.7° |
| C33 | C34 | C35 | H35 | 179.3° | 180.0° |
| C32 | C33 | C34 | H34 | 179.2° | 180.0° |
| N6 | C32 | C33 | H33 | 1.0° | 0.3° |
| H10 | C10 | C9 | H9 | 0.2° | 0.3° |
| H10 | C10 | C11 | H11 | 0.3° | 0.3° |
| H12 | C12 | C13 | H13 | 1.7° | 0.1° |
| H12 | C12 | C11 | H11 | 0.7° | 0.1° |
| H21 | C21 | C20 | H20 | 0.9° | 0.4° |
| H21 | C21 | C22 | H22 | 1.5° | 0.3° |
| H28 | C28 | C27 | H27 | 69.6° | 60.1° |
| H28 | C28 | C27 | H27A | 170.3° | 180.0° |
| H28 | C28 | C29 | H29 | 49.9° | 180.0° |
| H28 | C28 | C29 | H29A | 70.8° | 60.0° |
| H28A | C28 | C27 | H27 | 169.1° | 180.0° |
| H28A | C28 | C27 | H27A | 49.0° | 60.0° |
| H28A | C28 | C29 | H29 | 171.1° | 60.0° |
| H28A | C28 | C29 | H29A | 50.3° | 179.9° |
| H27 | C27 | C26 | H26 | 174.0° | 179.9° |
| H27 | C27 | C26 | H26A | 53.2° | 60.0° |
| H27A | C27 | C26 | H26 | 65.9° | 60.0° |
| H27A | C27 | C26 | H26A | 173.3° | 180.0° |
| H26 | C26 | C25 | H25 | 71.2° | 64.9° |
| H26A | C26 | C25 | H25 | 167.9° | 175.0° |
| H25 | C25 | C30 | H30 | 176.4° | 65.0° |
| H25 | C25 | N4 | HN4 | 167.6° | 145.0° |
| H23 | C23 | C22 | H22 | 1.8° | 0.1° |
| H19 | C19 | C20 | H20 | 0.7° | 0.1° |
| H17 | C17 | C16 | H16 | 58.0° | 180.0° |
| H17 | C17 | C16 | H16A | 62.3° | 60.0° |
| H17A | C17 | C16 | H16 | 178.8° | 59.9° |
| H17A | C17 | C16 | H16A | 58.5° | 180.0° |
| H16 | C16 | C15 | H15 | 46.5° | 65.0° |
| H16A | C16 | C15 | H15 | 166.7° | 175.0° |
| H15 | C15 | N3 | HN3 | 130.2° | 145.0° |
| H5 | C5 | C4 | H4 | 60.9° | 175.0° |
| H5 | C5 | C4 | H4A | 177.3° | 65.1° |
| H5 | C5 | N2 | HN2 | 163.4° | 145.0° |
| H4 | C4 | C3 | H3 | 145.9° | 180.0° |
| H4 | C4 | C3 | H3A | 93.3° | 60.0° |
| H4A | C4 | C3 | H3 | 24.1° | 60.0° |
| H4A | C4 | C3 | H3A | 145.0° | 180.0° |
| H3 | C3 | C2 | H2 | 173.8° | 180.0° |
| H3 | C3 | C2 | H2A | 66.3° | 60.0° |
| H3A | C3 | C2 | H2 | 53.0° | 60.0° |
| H3A | C3 | C2 | H2A | 172.9° | 180.0° |
| H30 | C30 | O5 | HO5 | 86.7° | 180.0° |
| H2 | C2 | C1 | H1 | 64.9° | 180.0° |
| H2 | C2 | C1 | H1A | 174.8° | 60.0° |
| H2A | C2 | C1 | H1 | 55.0° | 60.0° |
| H2A | C2 | C1 | H1A | 65.3° | 180.0° |
| H1 | C1 | N1 | HN1 | 124.6° | 60.0° |
| H1 | C1 | N1 | HN1A | 4.6° | 176.0° |
| H1A | C1 | N1 | HN1 | 115.1° | 60.0° |
| H1A | C1 | N1 | HN1A | 124.9° | 63.9° |
| H29 | C29 | N5 | HN5 | 117.4° | 63.9° |
| H29 | C29 | N5 | HN5A | 2.6° | 60.0° |
| H29A | C29 | N5 | HN5 | 121.8° | 176.1° |
| H29A | C29 | N5 | HN5A | 118.2° | 60.0° |
| H36 | C36 | C35 | H35 | 0.5° | 0.1° |
| H35 | C35 | C34 | H34 | 0.7° | 0.0° |
| H34 | C34 | C33 | H33 | 0.8° | 0.0° |
