B79
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C25 | doub | 1.40Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.43Å | 1.43Å | |
| C24 | C23 | trip | 1.17Å | 1.20Å | |
| C23 | C20 | sing | 1.43Å | 1.44Å | |
| C20 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | N3 | sing | 1.47Å | 1.45Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| N3 | C12 | sing | 1.47Å | 1.46Å | |
| N3 | C11 | sing | 1.47Å | 1.48Å | |
| C22 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C14 | sing | 1.51Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| O1 | C5 | doub | 1.22Å | 1.22Å | |
| C14 | C10 | sing | 1.55Å | 1.56Å | |
| C14 | C15 | sing | 1.51Å | 1.56Å | |
| C16 | C15 | sing | 1.56Å | 1.53Å | |
| C16 | N1 | sing | 1.46Å | 1.43Å | |
| C10 | N2 | sing | 1.43Å | 1.49Å | |
| N2 | C15 | sing | 1.49Å | 1.49Å | |
| N2 | C9 | sing | 1.42Å | 1.48Å | |
| C5 | N1 | sing | 1.35Å | 1.36Å | |
| C5 | N | sing | 1.35Å | 1.36Å | |
| N1 | C6 | sing | 1.46Å | 1.47Å | |
| C8 | C7 | sing | 1.56Å | 1.52Å | |
| C8 | C9 | sing | 1.55Å | 1.52Å | |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C32 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| N | C4 | sing | 1.40Å | 1.42Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C | O | sing | 1.43Å | 1.42Å | |
| C1 | O | sing | 1.36Å | 1.37Å | |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C2 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C3 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C6 | H31 | sing | 1.09Å | 1.10Å | |
| C6 | H32 | sing | 1.09Å | 1.10Å | |
| C7 | H33 | sing | 1.09Å | 1.10Å | |
| C8 | H34 | sing | 1.09Å | 1.10Å | |
| C9 | H35 | sing | 1.09Å | 1.10Å | |
| C9 | H36 | sing | 1.09Å | 1.10Å | |
| C7 | H39 | sing | 1.09Å | 1.10Å | |
| C8 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 119.9° | 120.3° |
| C28 | C29 | C30 | 120.1° | 120.1° |
| C29 | C28 | H25 | 120.1° | 119.8° |
| C28 | C29 | H26 | 119.9° | 120.0° |
| C28 | C27 | C26 | 120.7° | 120.2° |
| C28 | C27 | H24 | 119.7° | 119.9° |
| C27 | C28 | H25 | 120.1° | 119.9° |
| C29 | C30 | C25 | 119.9° | 119.9° |
| C30 | C29 | H26 | 119.9° | 119.9° |
| C29 | C30 | H28 | 120.1° | 120.1° |
| C27 | C26 | C25 | 120.2° | 119.9° |
| C27 | C26 | H23 | 119.9° | 120.1° |
| C26 | C27 | H24 | 119.6° | 120.0° |
| C30 | C25 | C26 | 119.1° | 119.6° |
| C30 | C25 | C24 | 120.1° | 120.2° |
| C25 | C30 | H28 | 120.1° | 120.0° |
| C26 | C25 | C24 | 120.4° | 120.2° |
| C25 | C26 | H23 | 119.9° | 120.0° |
| C25 | C24 | C23 | 176.1° | 180.0° |
| C24 | C23 | C20 | 175.0° | 180.0° |
| C23 | C20 | C19 | 121.3° | 120.1° |
| C23 | C20 | C21 | 119.9° | 120.1° |
| C19 | C20 | C21 | 118.8° | 119.7° |
| C20 | C19 | C18 | 120.8° | 119.8° |
| C20 | C19 | H19 | 119.6° | 120.1° |
| C20 | C21 | C22 | 119.6° | 119.8° |
| C20 | C21 | H21 | 120.2° | 120.1° |
| C19 | C18 | C17 | 120.8° | 120.1° |
| C19 | C18 | H18 | 119.6° | 119.9° |
| C18 | C19 | H19 | 119.6° | 120.1° |
| C13 | N3 | C12 | 109.2° | 111.0° |
| C13 | N3 | C11 | 110.4° | 111.0° |
| N3 | C13 | H11 | 109.5° | 109.5° |
| N3 | C13 | H12 | 109.5° | 109.5° |
| N3 | C13 | H13 | 109.5° | 109.4° |
| C21 | C22 | C17 | 121.6° | 120.2° |
| C22 | C21 | H21 | 120.2° | 120.1° |
| C21 | C22 | H22 | 119.2° | 119.8° |
| C18 | C17 | C22 | 118.3° | 120.4° |
| C18 | C17 | C14 | 120.6° | 119.8° |
| C17 | C18 | H18 | 119.6° | 120.0° |
| C12 | N3 | C11 | 112.6° | 111.0° |
| N3 | C12 | H8 | 109.5° | 109.4° |
| N3 | C12 | H9 | 109.5° | 109.5° |
| N3 | C12 | H10 | 109.4° | 109.5° |
| N3 | C11 | C10 | 111.9° | 109.5° |
| N3 | C11 | H6 | 108.9° | 109.5° |
| N3 | C11 | H7 | 108.8° | 109.5° |
| C22 | C17 | C14 | 121.1° | 119.9° |
| C17 | C22 | H22 | 119.2° | 120.0° |
| C17 | C14 | C10 | 124.3° | 114.6° |
| C17 | C14 | C15 | 123.6° | 114.5° |
| C17 | C14 | H14 | 107.2° | 113.5° |
| C11 | C10 | C14 | 123.3° | 114.2° |
| C11 | C10 | N2 | 114.6° | 114.1° |
| C11 | C10 | H5 | 109.4° | 113.2° |
| C10 | C11 | H6 | 108.9° | 109.5° |
| C10 | C11 | H7 | 108.9° | 109.5° |
| O1 | C5 | N1 | 120.8° | 120.0° |
| O1 | C5 | N | 123.0° | 120.0° |
| C10 | C14 | C15 | 86.0° | 81.5° |
| C14 | C10 | N2 | 88.5° | 84.2° |
| C14 | C10 | H5 | 109.1° | 114.0° |
| C10 | C14 | H14 | 106.6° | 114.6° |
| C14 | C15 | C16 | 123.5° | 118.8° |
| C14 | C15 | N2 | 88.4° | 83.6° |
| C15 | C14 | H14 | 106.6° | 114.5° |
| C14 | C15 | H15 | 111.1° | 116.0° |
| C15 | C16 | N1 | 117.4° | 104.3° |
| C16 | C15 | N2 | 107.4° | 101.0° |
| C16 | C15 | H15 | 111.7° | 115.0° |
| C15 | C16 | H16 | 107.5° | 110.5° |
| C15 | C16 | H17 | 107.4° | 110.5° |
| C16 | N1 | C5 | 118.9° | 115.2° |
| C16 | N1 | C6 | 119.9° | 129.5° |
| N1 | C16 | H16 | 107.4° | 110.5° |
| N1 | C16 | H17 | 107.4° | 110.5° |
| C10 | N2 | C15 | 91.3° | 86.3° |
| C10 | N2 | C9 | 115.5° | 127.3° |
| N2 | C10 | H5 | 110.0° | 114.1° |
| C15 | N2 | C9 | 115.2° | 113.1° |
| N2 | C15 | H15 | 112.2° | 117.4° |
| N2 | C9 | C8 | 112.2° | 106.3° |
| N2 | C9 | H35 | 108.8° | 110.8° |
| N2 | C9 | H36 | 108.8° | 110.1° |
| N1 | C5 | N | 116.3° | 120.0° |
| C5 | N1 | C6 | 121.2° | 115.2° |
| C5 | N | C4 | 125.2° | 120.0° |
| C5 | N | H1 | 117.4° | 120.0° |
| N1 | C6 | C7 | 114.8° | 113.4° |
| N1 | C6 | H31 | 108.1° | 108.7° |
| N1 | C6 | H32 | 108.1° | 108.7° |
| C7 | C8 | C9 | 116.0° | 109.8° |
| C8 | C7 | C6 | 116.4° | 110.9° |
| C8 | C7 | H33 | 107.7° | 109.2° |
| C7 | C8 | H34 | 107.8° | 109.6° |
| C8 | C7 | H39 | 107.7° | 109.2° |
| C7 | C8 | H40 | 107.8° | 109.6° |
| C9 | C8 | H34 | 107.8° | 109.1° |
| C8 | C9 | H35 | 108.8° | 109.9° |
| C8 | C9 | H36 | 108.8° | 109.9° |
| C9 | C8 | H40 | 107.8° | 109.0° |
| C32 | C31 | C4 | 120.4° | 120.0° |
| C31 | C32 | C1 | 119.8° | 120.0° |
| C32 | C31 | H29 | 119.8° | 120.0° |
| C31 | C32 | H30 | 120.1° | 120.0° |
| C31 | C4 | N | 120.9° | 120.1° |
| C31 | C4 | C3 | 119.2° | 119.9° |
| C4 | C31 | H29 | 119.8° | 120.0° |
| C7 | C6 | H31 | 108.1° | 108.7° |
| C7 | C6 | H32 | 108.1° | 108.6° |
| C6 | C7 | H33 | 107.7° | 109.1° |
| C6 | C7 | H39 | 107.7° | 109.2° |
| C32 | C1 | O | 120.4° | 120.0° |
| C32 | C1 | C2 | 120.3° | 120.1° |
| C1 | C32 | H30 | 120.1° | 120.0° |
| N | C4 | C3 | 119.9° | 120.0° |
| C4 | N | H1 | 117.4° | 120.0° |
| C4 | C3 | C2 | 120.4° | 120.0° |
| C4 | C3 | H27 | 119.8° | 120.0° |
| C | O | C1 | 117.8° | 117.0° |
| O | C | H2 | 109.5° | 109.5° |
| O | C | H3 | 109.5° | 109.5° |
| O | C | H4 | 109.5° | 109.5° |
| O | C1 | C2 | 119.3° | 120.0° |
| C1 | C2 | C3 | 119.9° | 120.0° |
| C1 | C2 | H20 | 120.0° | 120.0° |
| C3 | C2 | H20 | 120.1° | 120.0° |
| C2 | C3 | H27 | 119.8° | 119.9° |
| H2 | C | H3 | 109.5° | 109.5° |
| H2 | C | H4 | 109.4° | 109.5° |
| H3 | C | H4 | 109.5° | 109.4° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H8 | C12 | H10 | 109.5° | 109.4° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.4° | 109.5° |
| H11 | C13 | H13 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 110.5° |
| H31 | C6 | H32 | 109.5° | 108.7° |
| H33 | C7 | H39 | 109.5° | 109.2° |
| H34 | C8 | H40 | 109.5° | 109.8° |
| H35 | C9 | H36 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | H25 | 180.0° | 179.7° |
| C28 | C29 | C30 | H26 | 180.0° | 179.8° |
| C29 | C28 | C27 | C26 | 3.0° | 0.0° |
| C28 | C29 | C30 | C25 | 2.0° | 0.5° |
| C29 | C28 | C27 | H24 | 177.0° | 180.0° |
| C28 | C29 | C30 | H28 | 178.1° | 179.9° |
| C27 | C28 | C29 | C30 | 1.9° | 0.3° |
| C28 | C27 | C26 | H24 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.2° | 0.0° |
| C28 | C27 | C26 | H23 | 179.8° | 180.0° |
| C27 | C28 | C29 | H26 | 178.1° | 180.0° |
| C29 | C30 | C25 | H28 | 180.0° | 179.5° |
| C29 | C30 | C25 | C26 | 4.7° | 0.5° |
| C29 | C30 | C25 | C24 | 176.7° | 179.7° |
| C30 | C29 | C28 | H25 | 178.1° | 179.9° |
| C27 | C26 | C25 | C30 | 3.6° | 0.3° |
| C27 | C26 | C25 | H23 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 175.6° | 180.0° |
| C26 | C27 | C28 | H25 | 177.0° | 179.7° |
| C30 | C25 | C26 | C24 | 172.0° | 179.7° |
| C30 | C25 | C24 | C23 | 24.2° | 157.7° |
| C30 | C25 | C26 | H23 | 176.4° | 179.8° |
| C25 | C30 | C29 | H26 | 178.0° | 179.7° |
| C26 | C25 | C24 | C23 | 147.7° | 22.0° |
| C25 | C26 | C27 | H24 | 179.8° | 180.0° |
| C26 | C25 | C30 | H28 | 175.3° | 179.9° |
| C25 | C24 | C23 | C20 | 138.5° | 176.6° |
| C24 | C25 | C26 | H23 | 4.4° | 0.0° |
| C24 | C25 | C30 | H28 | 3.4° | 0.2° |
| C24 | C23 | C20 | C19 | 35.7° | 18.6° |
| C24 | C23 | C20 | C21 | 147.1° | 161.4° |
| C23 | C20 | C19 | C21 | 177.2° | 180.0° |
| C23 | C20 | C19 | C18 | 174.7° | 180.0° |
| C23 | C20 | C21 | C22 | 174.2° | 179.8° |
| C23 | C20 | C19 | H19 | 5.3° | 0.1° |
| C23 | C20 | C21 | H21 | 5.8° | 0.0° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 3.1° | 0.2° |
| C20 | C19 | C18 | C17 | 0.3° | 0.0° |
| C20 | C19 | C18 | H18 | 179.7° | 180.0° |
| C19 | C20 | C21 | H21 | 176.9° | 180.0° |
| C21 | C20 | C19 | C18 | 2.6° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.7° |
| C20 | C21 | C22 | C17 | 0.8° | 0.5° |
| C21 | C20 | C19 | H19 | 177.5° | 179.9° |
| C20 | C21 | C22 | H22 | 179.2° | 180.0° |
| C19 | C18 | C17 | H18 | 180.0° | 180.0° |
| C19 | C18 | C17 | C22 | 2.6° | 0.3° |
| C19 | C18 | C17 | C14 | 175.6° | 180.0° |
| C13 | N3 | C12 | C11 | 123.0° | 123.9° |
| C13 | N3 | C11 | C10 | 143.6° | 67.8° |
| C13 | N3 | C11 | H6 | 23.2° | 172.2° |
| C13 | N3 | C11 | H7 | 96.0° | 52.2° |
| C13 | N3 | C12 | H8 | 180.0° | 56.1° |
| C13 | N3 | C12 | H9 | 60.0° | 176.1° |
| C13 | N3 | C12 | H10 | 60.0° | 63.9° |
| N3 | C13 | H11 | H12 | 120.0° | 120.0° |
| N3 | C13 | H11 | H13 | 120.0° | 120.0° |
| N3 | C13 | H12 | H13 | 120.0° | 120.0° |
| C21 | C22 | C17 | C18 | 2.0° | 0.5° |
| C21 | C22 | C17 | H22 | 180.0° | 179.5° |
| C21 | C22 | C17 | C14 | 176.1° | 179.7° |
| C18 | C17 | C22 | C14 | 178.2° | 179.8° |
| C18 | C17 | C14 | C10 | 49.5° | 5.0° |
| C18 | C17 | C14 | C15 | 160.2° | 86.8° |
| C18 | C17 | C14 | H14 | 75.5° | 139.2° |
| C17 | C18 | C19 | H19 | 179.7° | 179.9° |
| C18 | C17 | C22 | H22 | 178.0° | 180.0° |
| C12 | N3 | C11 | C10 | 94.0° | 168.3° |
| C12 | N3 | C11 | H6 | 145.6° | 48.3° |
| C12 | N3 | C11 | H7 | 26.4° | 71.7° |
| N3 | C12 | H8 | H9 | 120.0° | 120.0° |
| N3 | C12 | H8 | H10 | 120.0° | 120.0° |
| N3 | C12 | H9 | H10 | 120.0° | 120.1° |
| C12 | N3 | C13 | H11 | 180.0° | 65.5° |
| C12 | N3 | C13 | H12 | 60.0° | 174.4° |
| C12 | N3 | C13 | H13 | 60.0° | 54.4° |
| N3 | C11 | C10 | H6 | 120.4° | 120.0° |
| N3 | C11 | C10 | H7 | 120.4° | 120.0° |
| N3 | C11 | C10 | C14 | 85.9° | 97.6° |
| N3 | C11 | C10 | N2 | 19.6° | 167.9° |
| N3 | C11 | C10 | H5 | 143.7° | 35.2° |
| N3 | C11 | H6 | H7 | 118.9° | 120.0° |
| C11 | N3 | C12 | H8 | 57.0° | 180.0° |
| C11 | N3 | C12 | H9 | 63.0° | 60.0° |
| C11 | N3 | C12 | H10 | 177.0° | 60.1° |
| C11 | N3 | C13 | H11 | 55.7° | 58.4° |
| C11 | N3 | C13 | H12 | 175.7° | 61.7° |
| C11 | N3 | C13 | H13 | 64.3° | 178.3° |
| C22 | C17 | C14 | C10 | 128.6° | 174.8° |
| C22 | C17 | C14 | C15 | 18.0° | 93.5° |
| C22 | C17 | C14 | H14 | 106.4° | 40.6° |
| C22 | C17 | C18 | H18 | 177.4° | 179.8° |
| C17 | C22 | C21 | H21 | 179.2° | 179.7° |
| C17 | C14 | C10 | C11 | 7.8° | 36.8° |
| C17 | C14 | C10 | C15 | 128.6° | 113.2° |
| C17 | C14 | C10 | H14 | 125.3° | 133.7° |
| C17 | C14 | C15 | H14 | 124.6° | 133.6° |
| C17 | C14 | C15 | C16 | 1.7° | 20.4° |
| C17 | C14 | C10 | N2 | 111.0° | 77.0° |
| C17 | C14 | C15 | N2 | 111.6° | 78.6° |
| C17 | C14 | C10 | H5 | 138.3° | 169.2° |
| C17 | C14 | C15 | H15 | 135.1° | 163.9° |
| C14 | C17 | C18 | H18 | 4.4° | 0.0° |
| C14 | C17 | C22 | H22 | 3.8° | 0.2° |
| C11 | C10 | C14 | N2 | 118.8° | 113.8° |
| C11 | C10 | C14 | H5 | 130.5° | 132.4° |
| C11 | C10 | C14 | C15 | 136.4° | 150.0° |
| C11 | C10 | N2 | H5 | 123.8° | 132.3° |
| C11 | C10 | N2 | C15 | 144.9° | 150.3° |
| C11 | C10 | N2 | C9 | 96.2° | 93.2° |
| C10 | C11 | H6 | H7 | 118.9° | 120.0° |
| C11 | C10 | C14 | H14 | 117.4° | 96.9° |
| O1 | C5 | N1 | C16 | 12.9° | 175.4° |
| O1 | C5 | N1 | N | 178.7° | 180.0° |
| O1 | C5 | N1 | C6 | 169.5° | 4.6° |
| O1 | C5 | N | C4 | 18.2° | 2.5° |
| O1 | C5 | N | H1 | 161.8° | 177.2° |
| C10 | C14 | C15 | H14 | 106.1° | 113.2° |
| C10 | C14 | C15 | C16 | 127.5° | 133.6° |
| C14 | C10 | N2 | H5 | 109.8° | 113.8° |
| C10 | C14 | C15 | N2 | 17.6° | 34.6° |
| C14 | C10 | N2 | C9 | 137.4° | 152.8° |
| C14 | C10 | C11 | H6 | 34.4° | 22.4° |
| C14 | C10 | C11 | H7 | 153.7° | 142.4° |
| C10 | C14 | C15 | H15 | 95.6° | 82.9° |
| C14 | C15 | C16 | N2 | 99.9° | 88.7° |
| C14 | C15 | C16 | H15 | 136.7° | 143.8° |
| C14 | C15 | C16 | N1 | 173.2° | 40.0° |
| C14 | C15 | N2 | H15 | 112.2° | 116.0° |
| C14 | C15 | N2 | C9 | 137.5° | 166.7° |
| C15 | C14 | C10 | H5 | 93.1° | 77.6° |
| C14 | C15 | C16 | H16 | 65.7° | 78.7° |
| C14 | C15 | C16 | H17 | 52.0° | 158.7° |
| C15 | C16 | N1 | H16 | 121.2° | 118.7° |
| C15 | C16 | N1 | H17 | 121.1° | 118.7° |
| C16 | C15 | N2 | C10 | 143.1° | 155.6° |
| C16 | C15 | N2 | H15 | 123.1° | 125.9° |
| C16 | C15 | N2 | C9 | 97.8° | 75.1° |
| C15 | C16 | N1 | C5 | 153.9° | 109.3° |
| C15 | C16 | N1 | C6 | 23.8° | 70.8° |
| C16 | C15 | C14 | H14 | 126.4° | 113.2° |
| C15 | C16 | H16 | H17 | 116.4° | 122.5° |
| N1 | C16 | C15 | N2 | 86.9° | 48.6° |
| C16 | N1 | C5 | C6 | 177.6° | 179.9° |
| C16 | N1 | C5 | N | 165.9° | 4.6° |
| C16 | N1 | C6 | C7 | 80.8° | 36.2° |
| N1 | C16 | C15 | H15 | 36.5° | 176.1° |
| N1 | C16 | H16 | H17 | 116.4° | 122.6° |
| C16 | N1 | C6 | H31 | 158.4° | 157.3° |
| C16 | N1 | C6 | H32 | 40.0° | 84.6° |
| C10 | N2 | C15 | C9 | 119.1° | 129.2° |
| C10 | N2 | C9 | C8 | 152.2° | 121.3° |
| N2 | C10 | C11 | H6 | 140.0° | 72.1° |
| N2 | C10 | C11 | H7 | 100.7° | 47.9° |
| N2 | C10 | C14 | H14 | 123.7° | 149.3° |
| C10 | N2 | C15 | H15 | 93.7° | 78.5° |
| C10 | N2 | C9 | H35 | 87.4° | 1.9° |
| C10 | N2 | C9 | H36 | 31.8° | 119.8° |
| C15 | N2 | C9 | C8 | 103.2° | 135.0° |
| C15 | N2 | C10 | H5 | 91.3° | 77.4° |
| N2 | C15 | C14 | H14 | 123.8° | 147.8° |
| N2 | C15 | C16 | H16 | 34.2° | 167.4° |
| N2 | C15 | C16 | H17 | 151.9° | 70.0° |
| C15 | N2 | C9 | H35 | 17.2° | 105.7° |
| C15 | N2 | C9 | H36 | 136.4° | 16.0° |
| N2 | C9 | C8 | C7 | 77.2° | 59.0° |
| N2 | C9 | C8 | H35 | 120.4° | 119.9° |
| N2 | C9 | C8 | H36 | 120.4° | 119.1° |
| C9 | N2 | C10 | H5 | 27.6° | 39.1° |
| C9 | N2 | C15 | H15 | 25.3° | 50.7° |
| N2 | C9 | C8 | H34 | 43.8° | 61.2° |
| N2 | C9 | H35 | H36 | 118.7° | 121.8° |
| N2 | C9 | C8 | H40 | 161.9° | 179.0° |
| C5 | N1 | C6 | C7 | 101.6° | 143.7° |
| N1 | C5 | N | C4 | 160.5° | 177.5° |
| N1 | C5 | N | H1 | 19.5° | 2.8° |
| C5 | N1 | C16 | H16 | 84.9° | 9.4° |
| C5 | N1 | C16 | H17 | 32.8° | 132.1° |
| C5 | N1 | C6 | H31 | 19.2° | 22.6° |
| C5 | N1 | C6 | H32 | 137.6° | 95.5° |
| N | C5 | N1 | C6 | 11.8° | 175.4° |
| C5 | N | C4 | C31 | 25.8° | 158.8° |
| C5 | N | C4 | H1 | 180.0° | 179.7° |
| C5 | N | C4 | C3 | 156.7° | 21.3° |
| N1 | C6 | C7 | C8 | 94.8° | 98.8° |
| N1 | C6 | C7 | H31 | 120.8° | 121.1° |
| N1 | C6 | C7 | H32 | 120.8° | 120.9° |
| C6 | N1 | C16 | H16 | 97.4° | 170.5° |
| C6 | N1 | C16 | H17 | 144.9° | 47.9° |
| N1 | C6 | H31 | H32 | 117.6° | 118.2° |
| N1 | C6 | C7 | H33 | 144.1° | 140.9° |
| N1 | C6 | C7 | H39 | 26.1° | 21.6° |
| C7 | C8 | C9 | H34 | 121.0° | 120.1° |
| C7 | C8 | C9 | H40 | 121.0° | 120.0° |
| C8 | C7 | C6 | H33 | 121.0° | 120.3° |
| C8 | C7 | C6 | H39 | 121.0° | 120.4° |
| C8 | C7 | C6 | H31 | 144.4° | 140.2° |
| C8 | C7 | C6 | H32 | 25.9° | 22.1° |
| C8 | C7 | H33 | H39 | 116.8° | 119.3° |
| C7 | C8 | H34 | H40 | 117.0° | 120.4° |
| C7 | C8 | C9 | H35 | 43.2° | 178.9° |
| C7 | C8 | C9 | H36 | 162.4° | 60.1° |
| C9 | C8 | C7 | C6 | 0.7° | 61.7° |
| C9 | C8 | C7 | H33 | 120.3° | 178.0° |
| C9 | C8 | H34 | H40 | 117.0° | 119.4° |
| C8 | C9 | H35 | H36 | 118.8° | 121.0° |
| C9 | C8 | C7 | H39 | 121.7° | 58.7° |
| C32 | C31 | C4 | H29 | 180.0° | 180.0° |
| C31 | C32 | C1 | H30 | 180.0° | 180.0° |
| C32 | C31 | C4 | N | 176.7° | 180.0° |
| C32 | C31 | C4 | C3 | 0.8° | 0.2° |
| C31 | C32 | C1 | O | 177.6° | 180.0° |
| C31 | C32 | C1 | C2 | 0.7° | 0.3° |
| C4 | C31 | C32 | C1 | 0.1° | 0.0° |
| C31 | C4 | N | C3 | 177.5° | 179.8° |
| C31 | C4 | C3 | C2 | 0.8° | 0.2° |
| C31 | C4 | N | H1 | 154.2° | 21.5° |
| C31 | C4 | C3 | H27 | 179.2° | 179.8° |
| C4 | C31 | C32 | H30 | 179.9° | 180.0° |
| C7 | C6 | H31 | H32 | 117.6° | 118.0° |
| C6 | C7 | H33 | H39 | 116.9° | 119.3° |
| C6 | C7 | C8 | H34 | 120.3° | 58.1° |
| C6 | C7 | C8 | H40 | 121.6° | 178.6° |
| C32 | C1 | O | C | 116.4° | 5.6° |
| C32 | C1 | O | C2 | 178.3° | 179.7° |
| C32 | C1 | C2 | C3 | 0.8° | 0.3° |
| C32 | C1 | C2 | H20 | 179.2° | 179.7° |
| C1 | C32 | C31 | H29 | 179.9° | 180.0° |
| N | C4 | C3 | C2 | 176.8° | 180.0° |
| N | C4 | C3 | H27 | 3.2° | 0.1° |
| N | C4 | C31 | H29 | 3.3° | 0.1° |
| C4 | C3 | C2 | C1 | 0.0° | 0.1° |
| C4 | C3 | C2 | H27 | 180.0° | 180.0° |
| C3 | C4 | N | H1 | 23.3° | 158.4° |
| C4 | C3 | C2 | H20 | 180.0° | 180.0° |
| C3 | C4 | C31 | H29 | 179.2° | 179.7° |
| C | O | C1 | C2 | 65.3° | 174.7° |
| O | C | H2 | H3 | 120.0° | 120.0° |
| O | C | H2 | H4 | 120.0° | 120.0° |
| O | C | H3 | H4 | 120.0° | 120.0° |
| O | C1 | C2 | C3 | 177.5° | 180.0° |
| C1 | O | C | H2 | 180.0° | 175.1° |
| C1 | O | C | H3 | 60.0° | 55.1° |
| C1 | O | C | H4 | 60.0° | 64.9° |
| O | C1 | C2 | H20 | 2.5° | 0.0° |
| O | C1 | C32 | H30 | 2.4° | 0.0° |
| C1 | C2 | C3 | H20 | 180.0° | 179.9° |
| C1 | C2 | C3 | H27 | 180.0° | 180.0° |
| C2 | C1 | C32 | H30 | 179.3° | 179.7° |
| H2 | C | H3 | H4 | 119.9° | 120.0° |
| H5 | C10 | C11 | H6 | 95.9° | 155.2° |
| H5 | C10 | C11 | H7 | 23.4° | 84.8° |
| H5 | C10 | C14 | H14 | 13.0° | 35.5° |
| H8 | C12 | H9 | H10 | 120.0° | 119.9° |
| H11 | C13 | H12 | H13 | 120.0° | 120.0° |
| H14 | C14 | C15 | H15 | 10.5° | 30.3° |
| H15 | C15 | C16 | H16 | 157.7° | 65.1° |
| H15 | C15 | C16 | H17 | 84.6° | 57.5° |
| H18 | C18 | C19 | H19 | 0.3° | 0.0° |
| H20 | C2 | C3 | H27 | 0.0° | 0.0° |
| H21 | C21 | C22 | H22 | 0.8° | 0.3° |
| H23 | C26 | C27 | H24 | 0.2° | 0.0° |
| H24 | C27 | C28 | H25 | 3.0° | 0.3° |
| H25 | C28 | C29 | H26 | 1.9° | 0.3° |
| H26 | C29 | C30 | H28 | 1.9° | 0.2° |
| H29 | C31 | C32 | H30 | 0.1° | 0.0° |
| H31 | C6 | C7 | H33 | 23.4° | 19.8° |
| H31 | C6 | C7 | H39 | 94.6° | 99.4° |
| H32 | C6 | C7 | H33 | 95.1° | 98.2° |
| H32 | C6 | C7 | H39 | 146.9° | 142.5° |
| H33 | C7 | C8 | H34 | 118.7° | 62.2° |
| H33 | C7 | C8 | H40 | 0.6° | 58.3° |
| H34 | C8 | C9 | H35 | 164.2° | 58.8° |
| H34 | C8 | C9 | H36 | 76.6° | 179.7° |
| H34 | C8 | C7 | H39 | 0.7° | 178.5° |
| H35 | C9 | C8 | H40 | 77.7° | 61.1° |
| H36 | C9 | C8 | H40 | 41.5° | 59.9° |
| H39 | C7 | C8 | H40 | 117.4° | 61.0° |
