3BL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.47Å | |
| C5 | C10 | doub | 1.39Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C27 | sing | 1.34Å | 1.33Å | Aromatic |
| N2 | C28 | doub | 1.31Å | 1.32Å | Aromatic |
| C11 | C4 | doub | 1.40Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.37Å | Aromatic |
| C27 | C26 | doub | 1.35Å | 1.36Å | Aromatic |
| C12 | C1 | doub | 1.40Å | 1.36Å | Aromatic |
| C28 | N3 | sing | 1.35Å | 1.32Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| O | C | doub | 1.22Å | 1.19Å | |
| C1 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.48Å | 1.50Å | |
| O1 | C24 | doub | 1.21Å | 1.21Å | |
| C26 | N3 | sing | 1.37Å | 1.32Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.48Å | |
| C | N | sing | 1.35Å | 1.30Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | N1 | sing | 1.47Å | 1.47Å | |
| N | C21 | sing | 1.47Å | 1.45Å | |
| N | C13 | sing | 1.47Å | 1.43Å | |
| C22 | N1 | sing | 1.47Å | 1.47Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C14 | C19 | sing | 1.53Å | 1.50Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.50Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| C28 | H9 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.08Å | 1.08Å | |
| N1 | H12 | sing | 1.01Å | 1.00Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C13 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.08Å | 1.08Å | |
| C11 | H32 | sing | 1.08Å | 1.08Å | |
| C10 | H33 | sing | 1.08Å | 1.08Å | |
| C9 | H34 | sing | 1.08Å | 1.08Å | |
| C8 | H35 | sing | 1.08Å | 1.08Å | |
| C7 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 119.5° | 120.1° |
| C7 | C6 | C5 | 120.0° | 119.9° |
| C7 | C6 | H3 | 120.0° | 120.0° |
| C6 | C7 | H36 | 120.2° | 120.0° |
| C7 | C8 | C9 | 120.4° | 120.2° |
| C7 | C8 | H35 | 119.8° | 119.9° |
| C8 | C7 | H36 | 120.2° | 119.9° |
| C6 | C5 | C4 | 117.4° | 120.1° |
| C6 | C5 | C10 | 120.9° | 119.7° |
| C5 | C6 | H3 | 120.0° | 120.1° |
| C8 | C9 | C10 | 120.2° | 120.2° |
| C8 | C9 | H34 | 119.9° | 120.0° |
| C9 | C8 | H35 | 119.8° | 119.9° |
| C4 | C5 | C10 | 121.7° | 120.1° |
| C5 | C4 | C11 | 117.6° | 120.0° |
| C5 | C4 | C3 | 122.0° | 120.0° |
| C5 | C10 | C9 | 119.0° | 119.8° |
| C5 | C10 | H33 | 120.5° | 120.0° |
| C9 | C10 | H33 | 120.5° | 120.2° |
| C10 | C9 | H34 | 119.9° | 119.9° |
| C27 | N2 | C28 | 108.3° | 109.3° |
| N2 | C27 | C26 | 107.1° | 108.0° |
| N2 | C27 | H11 | 126.5° | 126.0° |
| N2 | C28 | N3 | 108.8° | 108.7° |
| N2 | C28 | H9 | 125.6° | 125.7° |
| C4 | C11 | C12 | 120.9° | 120.1° |
| C11 | C4 | C3 | 120.4° | 120.0° |
| C4 | C11 | H32 | 119.5° | 120.0° |
| C11 | C12 | C1 | 119.7° | 119.9° |
| C11 | C12 | H31 | 120.2° | 120.0° |
| C12 | C11 | H32 | 119.6° | 119.9° |
| C4 | C3 | C2 | 118.6° | 120.0° |
| C4 | C3 | H2 | 120.7° | 120.0° |
| C27 | C26 | N3 | 107.3° | 106.8° |
| C27 | C26 | C25 | 128.5° | 126.6° |
| C26 | C27 | H11 | 126.4° | 126.0° |
| C12 | C1 | C2 | 119.1° | 120.0° |
| C12 | C1 | C | 119.8° | 120.0° |
| C1 | C12 | H31 | 120.2° | 120.0° |
| C28 | N3 | C26 | 108.5° | 107.2° |
| C28 | N3 | H8 | 125.8° | 126.4° |
| N3 | C28 | H9 | 125.6° | 125.6° |
| C3 | C2 | C1 | 121.4° | 119.9° |
| C3 | C2 | H1 | 119.3° | 120.0° |
| C2 | C3 | H2 | 120.7° | 120.0° |
| O | C | C1 | 119.4° | 120.0° |
| O | C | N | 122.2° | 120.0° |
| C2 | C1 | C | 121.1° | 120.0° |
| C1 | C2 | H1 | 119.3° | 120.1° |
| C1 | C | N | 118.4° | 120.0° |
| O1 | C24 | C23 | 120.5° | 120.0° |
| O1 | C24 | H4 | 119.7° | 120.0° |
| N3 | C26 | C25 | 124.2° | 126.6° |
| C26 | N3 | H8 | 125.8° | 126.4° |
| C26 | C25 | C23 | 117.4° | 109.5° |
| C26 | C25 | H6 | 107.5° | 109.5° |
| C26 | C25 | H7 | 107.5° | 109.5° |
| C | N | C21 | 120.3° | 120.7° |
| C | N | C13 | 124.5° | 120.6° |
| C24 | C23 | C25 | 106.2° | 109.5° |
| C24 | C23 | N1 | 110.6° | 109.5° |
| C23 | C24 | H4 | 119.8° | 120.0° |
| C24 | C23 | H5 | 110.6° | 109.4° |
| C25 | C23 | N1 | 107.6° | 109.5° |
| C25 | C23 | H5 | 110.5° | 109.5° |
| C23 | C25 | H6 | 107.5° | 109.4° |
| C23 | C25 | H7 | 107.5° | 109.4° |
| C23 | N1 | C22 | 113.7° | 111.0° |
| N1 | C23 | H5 | 111.2° | 109.5° |
| C23 | N1 | H12 | 108.4° | 110.9° |
| C21 | N | C13 | 115.1° | 118.7° |
| N | C21 | C22 | 103.8° | 109.6° |
| N | C21 | C20 | 109.2° | 108.7° |
| N | C21 | H16 | 111.1° | 109.7° |
| N | C13 | C14 | 107.0° | 108.8° |
| N | C13 | H29 | 110.1° | 109.6° |
| N | C13 | H30 | 110.1° | 109.7° |
| N1 | C22 | C21 | 109.1° | 109.5° |
| C22 | N1 | H12 | 108.4° | 111.0° |
| N1 | C22 | H14 | 109.6° | 109.5° |
| N1 | C22 | H15 | 109.6° | 109.5° |
| C22 | C21 | C20 | 112.3° | 109.6° |
| C21 | C22 | H14 | 109.5° | 109.5° |
| C21 | C22 | H15 | 109.5° | 109.5° |
| C22 | C21 | H16 | 110.2° | 109.6° |
| C21 | C20 | C19 | 111.4° | 109.4° |
| C20 | C21 | H16 | 110.2° | 109.6° |
| C21 | C20 | H17 | 109.0° | 109.5° |
| C21 | C20 | H18 | 109.0° | 109.5° |
| C13 | C14 | C19 | 106.4° | 109.4° |
| C13 | C14 | C15 | 106.6° | 109.1° |
| C13 | C14 | H28 | 110.9° | 109.7° |
| C14 | C13 | H29 | 110.1° | 109.5° |
| C14 | C13 | H30 | 110.1° | 109.6° |
| C20 | C19 | C14 | 108.8° | 109.5° |
| C20 | C19 | C18 | 111.2° | 109.2° |
| C19 | C20 | H17 | 109.0° | 109.5° |
| C19 | C20 | H18 | 109.0° | 109.6° |
| C20 | C19 | H19 | 108.6° | 109.5° |
| C19 | C14 | C15 | 111.2° | 109.5° |
| C14 | C19 | C18 | 110.8° | 109.5° |
| C14 | C19 | H19 | 108.7° | 109.6° |
| C19 | C14 | H28 | 110.8° | 109.6° |
| C14 | C15 | C16 | 112.3° | 109.5° |
| C14 | C15 | H26 | 108.8° | 109.4° |
| C14 | C15 | H27 | 108.8° | 109.4° |
| C15 | C14 | H28 | 110.7° | 109.5° |
| C19 | C18 | C17 | 111.4° | 109.5° |
| C18 | C19 | H19 | 108.6° | 109.5° |
| C19 | C18 | H20 | 109.0° | 109.4° |
| C19 | C18 | H21 | 109.0° | 109.5° |
| C15 | C16 | C17 | 110.6° | 109.4° |
| C15 | C16 | H24 | 109.2° | 109.4° |
| C15 | C16 | H25 | 109.2° | 109.5° |
| C16 | C15 | H26 | 108.7° | 109.5° |
| C16 | C15 | H27 | 108.7° | 109.5° |
| C18 | C17 | C16 | 113.3° | 109.4° |
| C17 | C18 | H20 | 109.0° | 109.5° |
| C17 | C18 | H21 | 109.0° | 109.5° |
| C18 | C17 | H22 | 108.5° | 109.5° |
| C18 | C17 | H23 | 108.5° | 109.4° |
| C16 | C17 | H22 | 108.5° | 109.5° |
| C16 | C17 | H23 | 108.5° | 109.5° |
| C17 | C16 | H24 | 109.2° | 109.5° |
| C17 | C16 | H25 | 109.2° | 109.5° |
| H6 | C25 | H7 | 109.4° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.4° | 109.4° |
| H20 | C18 | H21 | 109.5° | 109.4° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H26 | C15 | H27 | 109.5° | 109.5° |
| H29 | C13 | H30 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H36 | 180.0° | 180.0° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.3° |
| C7 | C6 | C5 | C4 | 179.8° | 179.9° |
| C7 | C6 | C5 | C10 | 0.8° | 0.3° |
| C6 | C7 | C8 | H35 | 179.8° | 179.9° |
| C8 | C7 | C6 | C5 | 0.4° | 0.0° |
| C7 | C8 | C9 | H35 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 0.4° | 0.2° |
| C8 | C7 | C6 | H3 | 179.6° | 180.0° |
| C7 | C8 | C9 | H34 | 179.6° | 179.7° |
| C6 | C5 | C4 | C10 | 179.0° | 179.7° |
| C6 | C5 | C10 | C9 | 0.6° | 0.3° |
| C6 | C5 | C4 | C11 | 31.6° | 179.7° |
| C6 | C5 | C4 | C3 | 147.4° | 0.3° |
| C6 | C5 | C10 | H33 | 179.4° | 179.7° |
| C5 | C6 | C7 | H36 | 179.6° | 180.0° |
| C8 | C9 | C10 | C5 | 0.0° | 0.0° |
| C8 | C9 | C10 | H34 | 180.0° | 180.0° |
| C8 | C9 | C10 | H33 | 180.0° | 180.0° |
| C9 | C8 | C7 | H36 | 179.8° | 179.7° |
| C4 | C5 | C10 | C9 | 179.6° | 180.0° |
| C5 | C4 | C11 | C3 | 179.0° | 180.0° |
| C5 | C4 | C11 | C12 | 179.3° | 179.7° |
| C5 | C4 | C3 | C2 | 179.2° | 180.0° |
| C5 | C4 | C3 | H2 | 0.8° | 0.0° |
| C4 | C5 | C6 | H3 | 0.1° | 0.1° |
| C5 | C4 | C11 | H32 | 0.7° | 0.0° |
| C4 | C5 | C10 | H33 | 0.4° | 0.1° |
| C5 | C10 | C9 | H33 | 180.0° | 180.0° |
| C10 | C5 | C4 | C11 | 149.4° | 0.0° |
| C10 | C5 | C4 | C3 | 31.6° | 180.0° |
| C10 | C5 | C6 | H3 | 179.2° | 179.8° |
| C5 | C10 | C9 | H34 | 180.0° | 180.0° |
| C10 | C9 | C8 | H35 | 179.6° | 179.9° |
| N2 | C27 | C26 | H11 | 180.0° | 179.6° |
| C27 | N2 | C28 | N3 | 0.8° | 0.2° |
| N2 | C27 | C26 | N3 | 0.2° | 0.4° |
| N2 | C27 | C26 | C25 | 179.5° | 179.9° |
| C27 | N2 | C28 | H9 | 179.3° | 179.8° |
| C28 | N2 | C27 | C26 | 0.6° | 0.4° |
| N2 | C28 | N3 | H9 | 180.0° | 179.9° |
| N2 | C28 | N3 | C26 | 0.7° | 0.0° |
| N2 | C28 | N3 | H8 | 179.3° | 179.9° |
| C28 | N2 | C27 | H11 | 179.4° | 180.0° |
| C4 | C11 | C12 | H32 | 180.0° | 179.7° |
| C4 | C11 | C12 | C1 | 0.0° | 0.5° |
| C11 | C4 | C3 | C2 | 0.2° | 0.0° |
| C11 | C4 | C3 | H2 | 179.8° | 180.0° |
| C4 | C11 | C12 | H31 | 180.0° | 180.0° |
| C12 | C11 | C4 | C3 | 0.2° | 0.3° |
| C11 | C12 | C1 | H31 | 180.0° | 179.5° |
| C11 | C12 | C1 | C2 | 0.2° | 0.5° |
| C11 | C12 | C1 | C | 179.1° | 179.7° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C4 | C3 | C2 | H1 | 179.9° | 179.9° |
| C3 | C4 | C11 | H32 | 179.8° | 180.0° |
| C27 | C26 | N3 | C28 | 0.3° | 0.3° |
| C27 | C26 | N3 | C25 | 179.3° | 179.7° |
| C27 | C26 | C25 | C23 | 9.5° | 85.3° |
| C27 | C26 | C25 | H6 | 111.6° | 154.7° |
| C27 | C26 | C25 | H7 | 130.7° | 34.6° |
| C27 | C26 | N3 | H8 | 179.7° | 179.8° |
| C12 | C1 | C2 | C3 | 0.3° | 0.2° |
| C12 | C1 | C | O | 38.0° | 49.5° |
| C12 | C1 | C2 | C | 178.8° | 179.8° |
| C12 | C1 | C | N | 144.4° | 130.5° |
| C12 | C1 | C2 | H1 | 179.7° | 179.7° |
| C1 | C12 | C11 | H32 | 180.0° | 179.8° |
| C28 | N3 | C26 | H8 | 180.0° | 179.9° |
| C28 | N3 | C26 | C25 | 179.0° | 179.9° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C3 | C2 | C1 | C | 179.1° | 180.0° |
| O | C | C1 | C2 | 140.8° | 130.3° |
| O | C | C1 | N | 177.6° | 180.0° |
| O | C | N | C21 | 17.5° | 3.7° |
| O | C | N | C13 | 165.6° | 176.3° |
| C2 | C1 | C | N | 36.8° | 49.7° |
| C1 | C2 | C3 | H2 | 179.9° | 180.0° |
| C2 | C1 | C12 | H31 | 179.8° | 180.0° |
| C1 | C | N | C21 | 160.0° | 176.3° |
| C1 | C | N | C13 | 16.9° | 3.7° |
| C | C1 | C2 | H1 | 0.9° | 0.1° |
| C | C1 | C12 | H31 | 0.9° | 0.2° |
| O1 | C24 | C23 | H4 | 180.0° | 179.9° |
| O1 | C24 | C23 | C25 | 86.8° | 120.0° |
| O1 | C24 | C23 | N1 | 156.7° | 0.1° |
| O1 | C24 | C23 | H5 | 33.1° | 120.0° |
| N3 | C26 | C25 | C23 | 171.3° | 95.1° |
| N3 | C26 | C25 | H6 | 67.6° | 24.9° |
| N3 | C26 | C25 | H7 | 50.1° | 145.0° |
| C26 | N3 | C28 | H9 | 179.4° | 179.9° |
| N3 | C26 | C27 | H11 | 179.8° | 180.0° |
| C26 | C25 | C23 | C24 | 147.9° | 175.0° |
| C26 | C25 | C23 | H6 | 121.2° | 120.0° |
| C26 | C25 | C23 | H7 | 121.2° | 120.0° |
| C26 | C25 | C23 | N1 | 93.7° | 64.9° |
| C26 | C25 | C23 | H5 | 27.9° | 55.0° |
| C26 | C25 | H6 | H7 | 116.4° | 120.1° |
| C25 | C26 | N3 | H8 | 1.0° | 0.1° |
| C25 | C26 | C27 | H11 | 0.5° | 0.3° |
| C | N | C21 | C13 | 177.2° | 180.0° |
| C | N | C21 | C22 | 111.4° | 114.0° |
| C | N | C21 | C20 | 128.8° | 126.3° |
| C | N | C13 | C14 | 119.5° | 126.4° |
| C | N | C21 | H16 | 7.0° | 6.4° |
| C | N | C13 | H29 | 0.1° | 113.9° |
| C | N | C13 | H30 | 120.8° | 6.5° |
| C24 | C23 | C25 | N1 | 118.5° | 120.1° |
| C24 | C23 | C25 | H5 | 120.0° | 120.0° |
| C24 | C23 | N1 | H5 | 123.3° | 120.0° |
| C24 | C23 | N1 | C22 | 62.5° | 85.0° |
| C24 | C23 | C25 | H6 | 26.7° | 65.0° |
| C24 | C23 | C25 | H7 | 91.0° | 55.0° |
| C24 | C23 | N1 | H12 | 58.1° | 39.0° |
| C25 | C23 | N1 | H5 | 121.1° | 120.0° |
| C25 | C23 | N1 | C22 | 178.1° | 155.0° |
| C25 | C23 | C24 | H4 | 93.2° | 60.0° |
| C23 | C25 | H6 | H7 | 116.4° | 119.9° |
| C25 | C23 | N1 | H12 | 57.5° | 81.1° |
| C23 | N1 | C22 | H12 | 120.6° | 123.9° |
| C23 | N1 | C22 | C21 | 130.4° | 180.0° |
| N1 | C23 | C24 | H4 | 23.3° | 180.0° |
| N1 | C23 | C25 | H6 | 145.2° | 55.1° |
| N1 | C23 | C25 | H7 | 27.5° | 175.0° |
| C23 | N1 | C22 | H14 | 10.5° | 60.0° |
| C23 | N1 | C22 | H15 | 109.6° | 60.0° |
| N | C21 | C22 | N1 | 169.3° | 55.8° |
| N | C21 | C22 | C20 | 117.7° | 119.2° |
| N | C21 | C22 | H16 | 119.1° | 120.5° |
| N | C21 | C20 | H16 | 122.3° | 120.0° |
| C21 | N | C13 | C14 | 63.4° | 53.6° |
| N | C21 | C20 | C19 | 49.1° | 54.8° |
| N | C21 | C22 | H14 | 49.4° | 64.2° |
| N | C21 | C22 | H15 | 70.7° | 175.8° |
| N | C21 | C20 | H17 | 169.4° | 174.7° |
| N | C21 | C20 | H18 | 71.2° | 65.3° |
| C21 | N | C13 | H29 | 176.9° | 66.1° |
| C21 | N | C13 | H30 | 56.2° | 173.5° |
| C13 | N | C21 | C22 | 65.8° | 66.0° |
| C13 | N | C21 | C20 | 54.1° | 53.7° |
| N | C13 | C14 | H29 | 119.6° | 119.8° |
| N | C13 | C14 | H30 | 119.6° | 120.0° |
| N | C13 | C14 | C19 | 66.2° | 54.5° |
| N | C13 | C14 | C15 | 175.1° | 174.3° |
| C13 | N | C21 | H16 | 175.8° | 173.6° |
| N | C13 | C14 | H28 | 54.4° | 65.7° |
| N | C13 | H29 | H30 | 121.1° | 120.5° |
| N1 | C22 | C21 | H14 | 119.9° | 120.0° |
| N1 | C22 | C21 | H15 | 120.0° | 120.0° |
| N1 | C22 | C21 | C20 | 72.9° | 175.0° |
| C22 | N1 | C23 | H5 | 60.8° | 35.0° |
| N1 | C22 | H14 | H15 | 120.2° | 120.0° |
| N1 | C22 | C21 | H16 | 50.3° | 64.7° |
| C22 | C21 | C20 | H16 | 123.2° | 120.3° |
| C22 | C21 | C20 | C19 | 65.4° | 65.0° |
| C21 | C22 | N1 | H12 | 109.0° | 56.1° |
| C21 | C22 | H14 | H15 | 120.1° | 120.0° |
| C22 | C21 | C20 | H17 | 54.9° | 55.0° |
| C22 | C21 | C20 | H18 | 174.3° | 175.0° |
| C21 | C20 | C19 | H17 | 120.3° | 120.0° |
| C21 | C20 | C19 | H18 | 120.3° | 120.0° |
| C21 | C20 | C19 | C14 | 56.6° | 61.3° |
| C21 | C20 | C19 | C18 | 178.9° | 178.8° |
| C20 | C21 | C22 | H14 | 167.1° | 55.0° |
| C20 | C21 | C22 | H15 | 47.0° | 65.0° |
| C21 | C20 | H17 | H18 | 119.1° | 120.0° |
| C21 | C20 | C19 | H19 | 61.6° | 58.9° |
| C13 | C14 | C19 | C20 | 64.3° | 61.2° |
| C13 | C14 | C19 | C15 | 115.7° | 119.5° |
| C13 | C14 | C19 | H28 | 120.6° | 120.3° |
| C13 | C14 | C15 | H28 | 120.7° | 120.1° |
| C13 | C14 | C19 | C18 | 173.1° | 179.2° |
| C13 | C14 | C15 | C16 | 172.4° | 179.5° |
| C13 | C14 | C19 | H19 | 53.8° | 59.0° |
| C13 | C14 | C15 | H26 | 67.2° | 59.5° |
| C13 | C14 | C15 | H27 | 52.0° | 60.5° |
| C14 | C13 | H29 | H30 | 121.2° | 120.2° |
| C20 | C19 | C14 | C18 | 122.6° | 119.6° |
| C20 | C19 | C14 | H19 | 118.1° | 120.2° |
| C20 | C19 | C14 | C15 | 180.0° | 179.3° |
| C20 | C19 | C18 | H19 | 119.5° | 119.9° |
| C20 | C19 | C18 | C17 | 176.4° | 179.8° |
| C19 | C20 | C21 | H16 | 171.4° | 174.7° |
| C19 | C20 | H17 | H18 | 119.1° | 120.1° |
| C20 | C19 | C18 | H20 | 63.3° | 60.2° |
| C20 | C19 | C18 | H21 | 56.1° | 59.7° |
| C20 | C19 | C14 | H28 | 56.3° | 59.2° |
| C19 | C14 | C15 | H28 | 123.7° | 120.2° |
| C14 | C19 | C18 | H19 | 119.3° | 120.2° |
| C19 | C14 | C15 | C16 | 56.8° | 59.9° |
| C14 | C19 | C18 | C17 | 55.2° | 59.9° |
| C14 | C19 | C20 | H17 | 176.9° | 178.7° |
| C14 | C19 | C20 | H18 | 63.7° | 58.7° |
| C14 | C19 | C18 | H20 | 175.5° | 179.9° |
| C14 | C19 | C18 | H21 | 65.0° | 60.2° |
| C19 | C14 | C15 | H26 | 177.2° | 60.2° |
| C19 | C14 | C15 | H27 | 63.6° | 179.9° |
| C19 | C14 | C13 | H29 | 174.2° | 65.2° |
| C19 | C14 | C13 | H30 | 53.4° | 174.5° |
| C15 | C14 | C19 | C18 | 57.4° | 59.7° |
| C14 | C15 | C16 | H26 | 120.4° | 120.0° |
| C14 | C15 | C16 | H27 | 120.4° | 120.0° |
| C14 | C15 | C16 | C17 | 52.6° | 60.1° |
| C15 | C14 | C19 | H19 | 61.9° | 60.5° |
| C14 | C15 | C16 | H24 | 67.6° | 179.9° |
| C14 | C15 | C16 | H25 | 172.7° | 59.9° |
| C14 | C15 | H26 | H27 | 118.7° | 119.9° |
| C15 | C14 | C13 | H29 | 55.4° | 54.5° |
| C15 | C14 | C13 | H30 | 65.3° | 65.7° |
| C19 | C18 | C17 | H20 | 120.3° | 120.0° |
| C19 | C18 | C17 | H21 | 120.3° | 120.1° |
| C19 | C18 | C17 | C16 | 52.6° | 60.2° |
| C18 | C19 | C20 | H17 | 60.8° | 58.9° |
| C18 | C19 | C20 | H18 | 58.6° | 61.2° |
| C19 | C18 | H20 | H21 | 119.1° | 119.9° |
| C19 | C18 | C17 | H22 | 67.9° | 59.9° |
| C19 | C18 | C17 | H23 | 173.2° | 179.9° |
| C18 | C19 | C14 | H28 | 66.3° | 60.5° |
| C15 | C16 | C17 | C18 | 50.9° | 60.2° |
| C15 | C16 | C17 | H24 | 120.2° | 119.9° |
| C15 | C16 | C17 | H25 | 120.2° | 120.0° |
| C15 | C16 | C17 | H22 | 69.7° | 59.8° |
| C15 | C16 | C17 | H23 | 171.4° | 179.9° |
| C15 | C16 | H24 | H25 | 119.5° | 120.0° |
| C16 | C15 | H26 | H27 | 118.7° | 120.0° |
| C16 | C15 | C14 | H28 | 66.9° | 60.3° |
| C18 | C17 | C16 | H22 | 120.6° | 120.0° |
| C18 | C17 | C16 | H23 | 120.6° | 119.9° |
| C17 | C18 | C19 | H19 | 64.1° | 60.3° |
| C17 | C18 | H20 | H21 | 119.1° | 120.0° |
| C18 | C17 | H22 | H23 | 118.2° | 120.0° |
| C18 | C17 | C16 | H24 | 69.3° | 179.9° |
| C18 | C17 | C16 | H25 | 171.0° | 59.8° |
| C16 | C17 | C18 | H20 | 172.9° | 179.9° |
| C16 | C17 | C18 | H21 | 67.6° | 59.9° |
| C16 | C17 | H22 | H23 | 118.3° | 120.1° |
| C17 | C16 | H24 | H25 | 119.5° | 120.1° |
| C17 | C16 | C15 | H26 | 173.0° | 59.9° |
| C17 | C16 | C15 | H27 | 67.9° | 179.9° |
| H1 | C2 | C3 | H2 | 0.1° | 0.1° |
| H3 | C6 | C7 | H36 | 0.4° | 0.0° |
| H4 | C24 | C23 | H5 | 146.9° | 60.0° |
| H5 | C23 | C25 | H6 | 93.3° | 175.0° |
| H5 | C23 | C25 | H7 | 149.0° | 65.0° |
| H5 | C23 | N1 | H12 | 178.6° | 159.0° |
| H8 | N3 | C28 | H9 | 0.6° | 0.0° |
| H12 | N1 | C22 | H14 | 131.1° | 176.1° |
| H12 | N1 | C22 | H15 | 11.0° | 63.9° |
| H14 | C22 | C21 | H16 | 69.7° | 175.3° |
| H15 | C22 | C21 | H16 | 170.2° | 55.3° |
| H16 | C21 | C20 | H17 | 68.3° | 65.3° |
| H16 | C21 | C20 | H18 | 51.1° | 54.7° |
| H17 | C20 | C19 | H19 | 58.7° | 61.1° |
| H18 | C20 | C19 | H19 | 178.1° | 178.9° |
| H19 | C19 | C18 | H20 | 56.2° | 59.7° |
| H19 | C19 | C18 | H21 | 175.7° | 179.6° |
| H19 | C19 | C14 | H28 | 174.5° | 179.4° |
| H20 | C18 | C17 | H22 | 52.4° | 60.1° |
| H20 | C18 | C17 | H23 | 66.5° | 59.9° |
| H21 | C18 | C17 | H22 | 171.8° | 179.9° |
| H21 | C18 | C17 | H23 | 52.9° | 60.0° |
| H22 | C17 | C16 | H24 | 170.1° | 60.1° |
| H22 | C17 | C16 | H25 | 50.5° | 179.8° |
| H23 | C17 | C16 | H24 | 51.3° | 60.0° |
| H23 | C17 | C16 | H25 | 68.4° | 60.1° |
| H24 | C16 | C15 | H26 | 52.8° | 60.1° |
| H24 | C16 | C15 | H27 | 172.0° | 60.0° |
| H25 | C16 | C15 | H26 | 66.9° | 179.9° |
| H25 | C16 | C15 | H27 | 52.3° | 60.1° |
| H26 | C15 | C14 | H28 | 53.5° | 179.6° |
| H27 | C15 | C14 | H28 | 172.7° | 59.7° |
| H28 | C14 | C13 | H29 | 65.2° | 174.5° |
| H28 | C14 | C13 | H30 | 174.0° | 54.3° |
| H31 | C12 | C11 | H32 | 0.0° | 0.3° |
| H33 | C10 | C9 | H34 | 0.0° | 0.0° |
| H34 | C9 | C8 | H35 | 0.4° | 0.1° |
| H35 | C8 | C7 | H36 | 0.2° | 0.1° |
