8UN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C29 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| O2 | C23 | sing | 1.44Å | 1.41Å | |
| O2 | C20 | sing | 1.36Å | 1.36Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C26 | C9 | sing | 1.53Å | 1.56Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C23 | O3 | sing | 1.44Å | 1.40Å | |
| C20 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | N2 | sing | 1.46Å | 1.47Å | |
| O3 | C19 | sing | 1.37Å | 1.35Å | |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C22 | BR1 | sing | 1.89Å | 1.90Å | |
| C22 | C8 | doub | 1.40Å | 1.42Å | Aromatic |
| C18 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.46Å | |
| N2 | C7 | sing | 1.37Å | 1.37Å | Aromatic |
| N2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | N1 | doub | 1.31Å | 1.34Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.42Å | Aromatic |
| C2 | C1 | sing | 1.36Å | 1.41Å | Aromatic |
| N1 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | C11 | sing | 1.48Å | 1.50Å | |
| C11 | O1 | doub | 1.22Å | 1.23Å | |
| C11 | N3 | sing | 1.35Å | 1.34Å | |
| N3 | C12 | sing | 1.39Å | 1.42Å | |
| C12 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C30 | sing | 1.43Å | 1.46Å | |
| C30 | N4 | trip | 1.14Å | 1.16Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C29 | 112.1° | 109.5° |
| C24 | C25 | C26 | 111.2° | 109.5° |
| C24 | C25 | H8 | 109.0° | 109.5° |
| C24 | C25 | H9 | 109.0° | 109.5° |
| C25 | C24 | H24 | 108.8° | 109.5° |
| C25 | C24 | H25 | 108.8° | 109.4° |
| C24 | C29 | C28 | 111.4° | 109.5° |
| C24 | C29 | H13 | 109.0° | 109.5° |
| C24 | C29 | H14 | 109.0° | 109.5° |
| C29 | C24 | H24 | 108.8° | 109.5° |
| C29 | C24 | H25 | 108.8° | 109.5° |
| C25 | C26 | C9 | 113.4° | 109.5° |
| C25 | C26 | C27 | 108.0° | 109.4° |
| C26 | C25 | H8 | 109.0° | 109.5° |
| C26 | C25 | H9 | 109.0° | 109.5° |
| C25 | C26 | H10 | 107.6° | 109.4° |
| C29 | C28 | C27 | 110.9° | 109.5° |
| C28 | C29 | H13 | 109.0° | 109.5° |
| C28 | C29 | H14 | 109.0° | 109.5° |
| C29 | C28 | H26 | 109.1° | 109.5° |
| C29 | C28 | H27 | 109.1° | 109.5° |
| C23 | O2 | C20 | 105.0° | 105.6° |
| O2 | C23 | O3 | 107.9° | 103.7° |
| O2 | C23 | H22 | 109.8° | 110.6° |
| O2 | C23 | H23 | 109.8° | 110.6° |
| O2 | C20 | C21 | 129.7° | 131.4° |
| O2 | C20 | C19 | 109.0° | 108.5° |
| C10 | C9 | C26 | 114.7° | 109.5° |
| C10 | C9 | N2 | 111.7° | 109.5° |
| C10 | C9 | H15 | 104.9° | 109.5° |
| C9 | C10 | H16 | 109.5° | 109.5° |
| C9 | C10 | H17 | 109.5° | 109.5° |
| C9 | C10 | H18 | 109.4° | 109.5° |
| C9 | C26 | C27 | 112.5° | 109.5° |
| C26 | C9 | N2 | 114.0° | 109.4° |
| C9 | C26 | H10 | 107.5° | 109.5° |
| C26 | C9 | H15 | 104.7° | 109.5° |
| C26 | C27 | C28 | 111.2° | 109.5° |
| C27 | C26 | H10 | 107.6° | 109.4° |
| C26 | C27 | H11 | 109.0° | 109.5° |
| C26 | C27 | H12 | 109.0° | 109.5° |
| C23 | O3 | C19 | 104.7° | 105.4° |
| O3 | C23 | H22 | 109.9° | 110.8° |
| O3 | C23 | H23 | 109.9° | 110.4° |
| C21 | C20 | C19 | 121.4° | 120.1° |
| C20 | C21 | C22 | 118.0° | 120.2° |
| C20 | C21 | H21 | 121.0° | 119.9° |
| C20 | C19 | O3 | 109.6° | 108.6° |
| C20 | C19 | C18 | 121.5° | 120.0° |
| C21 | C22 | BR1 | 118.0° | 120.0° |
| C21 | C22 | C8 | 120.6° | 120.0° |
| C22 | C21 | H21 | 121.0° | 119.9° |
| C9 | N2 | C7 | 129.0° | 126.4° |
| C9 | N2 | C3 | 125.7° | 126.4° |
| N2 | C9 | H15 | 105.6° | 109.5° |
| O3 | C19 | C18 | 128.9° | 131.4° |
| C19 | C18 | C8 | 119.1° | 119.9° |
| C19 | C18 | H20 | 120.4° | 120.0° |
| C28 | C27 | H11 | 109.1° | 109.4° |
| C28 | C27 | H12 | 109.0° | 109.5° |
| C27 | C28 | H26 | 109.1° | 109.5° |
| C27 | C28 | H27 | 109.1° | 109.5° |
| BR1 | C22 | C8 | 121.4° | 120.0° |
| C22 | C8 | C18 | 119.4° | 119.8° |
| C22 | C8 | C7 | 122.1° | 120.1° |
| C18 | C8 | C7 | 118.5° | 120.1° |
| C8 | C18 | H20 | 120.4° | 120.1° |
| C8 | C7 | N2 | 125.6° | 125.1° |
| C8 | C7 | N1 | 119.1° | 125.1° |
| C7 | N2 | C3 | 105.3° | 107.3° |
| N2 | C7 | N1 | 115.3° | 109.8° |
| N2 | C3 | C2 | 134.3° | 133.7° |
| N2 | C3 | C4 | 104.8° | 106.2° |
| C7 | N1 | C4 | 103.2° | 109.5° |
| C2 | C3 | C4 | 120.9° | 120.1° |
| C3 | C2 | C1 | 119.4° | 120.2° |
| C3 | C2 | H2 | 120.3° | 119.9° |
| C3 | C4 | N1 | 111.4° | 107.2° |
| C3 | C4 | C5 | 119.1° | 119.5° |
| C2 | C1 | C6 | 120.7° | 120.5° |
| C2 | C1 | H1 | 119.7° | 119.7° |
| C1 | C2 | H2 | 120.3° | 120.0° |
| N1 | C4 | C5 | 129.5° | 133.3° |
| C4 | C5 | C6 | 120.6° | 119.5° |
| C4 | C5 | H3 | 119.7° | 120.3° |
| C1 | C6 | C5 | 119.4° | 120.2° |
| C1 | C6 | C11 | 120.1° | 120.0° |
| C6 | C1 | H1 | 119.7° | 119.7° |
| C5 | C6 | C11 | 120.4° | 119.9° |
| C6 | C5 | H3 | 119.7° | 120.2° |
| C6 | C11 | O1 | 120.8° | 120.1° |
| C6 | C11 | N3 | 112.7° | 120.0° |
| O1 | C11 | N3 | 126.5° | 119.9° |
| C11 | N3 | C12 | 131.7° | 120.0° |
| C11 | N3 | H19 | 114.1° | 120.0° |
| N3 | C12 | C17 | 117.2° | 120.0° |
| N3 | C12 | C13 | 123.8° | 119.9° |
| C12 | N3 | H19 | 114.1° | 120.0° |
| C17 | C12 | C13 | 118.9° | 120.1° |
| C12 | C17 | C16 | 120.6° | 120.1° |
| C12 | C17 | H7 | 119.7° | 120.0° |
| C12 | C13 | C14 | 120.3° | 120.1° |
| C12 | C13 | H4 | 119.9° | 120.0° |
| C17 | C16 | C15 | 120.0° | 119.9° |
| C17 | C16 | H6 | 120.0° | 120.0° |
| C16 | C17 | H7 | 119.7° | 120.0° |
| C13 | C14 | C15 | 120.3° | 119.9° |
| C14 | C13 | H4 | 119.8° | 119.9° |
| C13 | C14 | H5 | 119.8° | 120.1° |
| C16 | C15 | C14 | 119.7° | 119.8° |
| C16 | C15 | C30 | 120.6° | 120.1° |
| C15 | C16 | H6 | 120.0° | 120.1° |
| C14 | C15 | C30 | 119.7° | 120.1° |
| C15 | C14 | H5 | 119.8° | 120.0° |
| C15 | C30 | N4 | 179.6° | 180.0° |
| H8 | C25 | H9 | 109.5° | 109.4° |
| H11 | C27 | H12 | 109.4° | 109.5° |
| H13 | C29 | H14 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.4° | 109.4° |
| H16 | C10 | H18 | 109.5° | 109.5° |
| H17 | C10 | H18 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 110.6° |
| H24 | C24 | H25 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C29 | H24 | 120.4° | 120.0° |
| C25 | C24 | C29 | H25 | 120.4° | 119.9° |
| C24 | C25 | C26 | H8 | 120.2° | 120.0° |
| C24 | C25 | C26 | H9 | 120.3° | 120.1° |
| C25 | C24 | C29 | C28 | 52.6° | 60.0° |
| C24 | C25 | C26 | C9 | 176.3° | 180.0° |
| C24 | C25 | C26 | C27 | 58.3° | 60.0° |
| C24 | C25 | H8 | H9 | 119.2° | 120.0° |
| C24 | C25 | C26 | H10 | 57.6° | 60.0° |
| C25 | C24 | C29 | H13 | 67.6° | 60.0° |
| C25 | C24 | C29 | H14 | 172.9° | 180.0° |
| C25 | C24 | H24 | H25 | 118.8° | 119.9° |
| C29 | C24 | C25 | C26 | 55.8° | 60.0° |
| C24 | C29 | C28 | H13 | 120.3° | 120.0° |
| C24 | C29 | C28 | H14 | 120.3° | 120.0° |
| C24 | C29 | C28 | C27 | 53.6° | 60.0° |
| C29 | C24 | C25 | H8 | 176.1° | 60.1° |
| C29 | C24 | C25 | H9 | 64.5° | 180.0° |
| C24 | C29 | H13 | H14 | 119.1° | 120.0° |
| C29 | C24 | H24 | H25 | 118.8° | 120.1° |
| C24 | C29 | C28 | H26 | 173.8° | 60.0° |
| C24 | C29 | C28 | H27 | 66.6° | 180.0° |
| C25 | C26 | C9 | C10 | 78.6° | 52.6° |
| C25 | C26 | C9 | C27 | 122.9° | 120.0° |
| C25 | C26 | C9 | H10 | 118.8° | 120.0° |
| C25 | C26 | C27 | H10 | 115.9° | 119.9° |
| C25 | C26 | C9 | N2 | 150.9° | 172.5° |
| C25 | C26 | C27 | C28 | 60.0° | 60.0° |
| C26 | C25 | H8 | H9 | 119.2° | 119.9° |
| C25 | C26 | C27 | H11 | 179.7° | 179.9° |
| C25 | C26 | C27 | H12 | 60.3° | 60.0° |
| C25 | C26 | C9 | H15 | 35.9° | 67.5° |
| C26 | C25 | C24 | H24 | 176.2° | 180.0° |
| C26 | C25 | C24 | H25 | 64.6° | 60.0° |
| C29 | C28 | C27 | C26 | 58.5° | 60.0° |
| C29 | C28 | C27 | H26 | 120.2° | 120.0° |
| C29 | C28 | C27 | H27 | 120.2° | 120.0° |
| C29 | C28 | C27 | H11 | 178.7° | 180.0° |
| C29 | C28 | C27 | H12 | 61.8° | 60.0° |
| C28 | C29 | H13 | H14 | 119.1° | 120.0° |
| C28 | C29 | C24 | H24 | 173.0° | 180.0° |
| C28 | C29 | C24 | H25 | 67.7° | 59.9° |
| C29 | C28 | H26 | H27 | 119.4° | 120.0° |
| O2 | C23 | O3 | H22 | 119.7° | 118.6° |
| O2 | C23 | O3 | H23 | 119.7° | 118.5° |
| C23 | O2 | C20 | C21 | 167.4° | 162.7° |
| C23 | O2 | C20 | C19 | 11.5° | 17.6° |
| O2 | C23 | O3 | C19 | 19.2° | 27.3° |
| O2 | C23 | H22 | H23 | 120.7° | 122.8° |
| C20 | O2 | C23 | O3 | 19.0° | 27.4° |
| O2 | C20 | C21 | C19 | 178.7° | 179.7° |
| O2 | C20 | C21 | C22 | 179.5° | 180.0° |
| O2 | C20 | C19 | O3 | 0.4° | 0.3° |
| O2 | C20 | C19 | C18 | 179.8° | 179.7° |
| O2 | C20 | C21 | H21 | 0.5° | 0.3° |
| C20 | O2 | C23 | H22 | 100.7° | 91.3° |
| C20 | O2 | C23 | H23 | 138.8° | 145.8° |
| C10 | C9 | C26 | N2 | 130.6° | 120.0° |
| C10 | C9 | C26 | H15 | 114.5° | 120.1° |
| C10 | C9 | C26 | C27 | 158.5° | 172.6° |
| C10 | C9 | N2 | H15 | 113.5° | 120.0° |
| C10 | C9 | N2 | C7 | 114.6° | 55.1° |
| C10 | C9 | N2 | C3 | 65.7° | 124.9° |
| C10 | C9 | C26 | H10 | 40.2° | 67.4° |
| C9 | C10 | H16 | H17 | 120.0° | 120.0° |
| C9 | C10 | H16 | H18 | 120.0° | 120.1° |
| C9 | C10 | H17 | H18 | 120.0° | 120.1° |
| C9 | C26 | C27 | H10 | 118.2° | 120.1° |
| C26 | C9 | N2 | H15 | 114.4° | 120.0° |
| C9 | C26 | C27 | C28 | 174.0° | 180.0° |
| C26 | C9 | N2 | C7 | 113.4° | 64.9° |
| C26 | C9 | N2 | C3 | 66.4° | 115.1° |
| C9 | C26 | C25 | H8 | 56.1° | 59.9° |
| C9 | C26 | C25 | H9 | 63.4° | 60.0° |
| C9 | C26 | C27 | H11 | 53.8° | 60.1° |
| C9 | C26 | C27 | H12 | 65.7° | 60.0° |
| C26 | C9 | C10 | H16 | 180.0° | 30.3° |
| C26 | C9 | C10 | H17 | 60.0° | 150.2° |
| C26 | C9 | C10 | H18 | 60.0° | 89.7° |
| C27 | C26 | C9 | N2 | 27.9° | 67.5° |
| C26 | C27 | C28 | H11 | 120.3° | 120.0° |
| C26 | C27 | C28 | H12 | 120.3° | 120.0° |
| C27 | C26 | C25 | H8 | 178.6° | 60.1° |
| C27 | C26 | C25 | H9 | 62.0° | 180.0° |
| C26 | C27 | H11 | H12 | 119.2° | 120.0° |
| C27 | C26 | C9 | H15 | 87.1° | 52.5° |
| C26 | C27 | C28 | H26 | 178.7° | 60.0° |
| C26 | C27 | C28 | H27 | 61.8° | 180.0° |
| C23 | O3 | C19 | C20 | 12.1° | 17.2° |
| C23 | O3 | C19 | C18 | 168.2° | 162.8° |
| O3 | C23 | H22 | H23 | 120.8° | 122.8° |
| C20 | C21 | C22 | H21 | 180.0° | 179.7° |
| C21 | C20 | C19 | O3 | 179.4° | 180.0° |
| C21 | C20 | C19 | C18 | 0.9° | 0.0° |
| C20 | C21 | C22 | BR1 | 179.6° | 180.0° |
| C20 | C21 | C22 | C8 | 0.4° | 0.6° |
| C19 | C20 | C21 | C22 | 0.8° | 0.3° |
| C20 | C19 | O3 | C18 | 179.7° | 180.0° |
| C20 | C19 | C18 | C8 | 0.6° | 0.1° |
| C20 | C19 | C18 | H20 | 179.4° | 180.0° |
| C19 | C20 | C21 | H21 | 179.2° | 180.0° |
| C21 | C22 | BR1 | C8 | 180.0° | 179.3° |
| C21 | C22 | C8 | C18 | 0.1° | 0.6° |
| C21 | C22 | C8 | C7 | 179.6° | 179.7° |
| C9 | N2 | C7 | C8 | 0.5° | 0.0° |
| C9 | N2 | C7 | C3 | 179.8° | 180.0° |
| C9 | N2 | C7 | N1 | 179.8° | 180.0° |
| C9 | N2 | C3 | C2 | 0.1° | 0.1° |
| C9 | N2 | C3 | C4 | 179.7° | 180.0° |
| N2 | C9 | C26 | H10 | 90.4° | 52.5° |
| N2 | C9 | C10 | H16 | 48.3° | 150.3° |
| N2 | C9 | C10 | H17 | 71.7° | 89.8° |
| N2 | C9 | C10 | H18 | 168.3° | 30.3° |
| O3 | C19 | C18 | C8 | 179.8° | 180.0° |
| O3 | C19 | C18 | H20 | 0.3° | 0.0° |
| C19 | O3 | C23 | H22 | 100.5° | 91.4° |
| C19 | O3 | C23 | H23 | 139.0° | 145.7° |
| C19 | C18 | C8 | C22 | 0.2° | 0.3° |
| C19 | C18 | C8 | H20 | 180.0° | 180.0° |
| C19 | C18 | C8 | C7 | 179.5° | 180.0° |
| C28 | C27 | C26 | H10 | 55.9° | 59.9° |
| C28 | C27 | H11 | H12 | 119.2° | 120.0° |
| C27 | C28 | C29 | H13 | 66.7° | 60.0° |
| C27 | C28 | C29 | H14 | 173.9° | 180.0° |
| C27 | C28 | H26 | H27 | 119.3° | 120.0° |
| BR1 | C22 | C8 | C18 | 179.9° | 179.9° |
| BR1 | C22 | C8 | C7 | 0.4° | 0.3° |
| BR1 | C22 | C21 | H21 | 0.4° | 0.3° |
| C22 | C8 | C18 | C7 | 179.7° | 179.7° |
| C22 | C8 | C7 | N2 | 85.1° | 178.2° |
| C22 | C8 | C7 | N1 | 94.7° | 1.8° |
| C22 | C8 | C18 | H20 | 179.8° | 179.7° |
| C8 | C22 | C21 | H21 | 179.6° | 179.7° |
| C18 | C8 | C7 | N2 | 95.2° | 1.6° |
| C18 | C8 | C7 | N1 | 85.0° | 178.4° |
| C8 | C7 | N2 | N1 | 179.8° | 180.0° |
| C8 | C7 | N2 | C3 | 179.8° | 180.0° |
| C8 | C7 | N1 | C4 | 179.9° | 180.0° |
| C7 | C8 | C18 | H20 | 0.5° | 0.0° |
| C7 | N2 | C3 | C2 | 179.8° | 179.9° |
| C7 | N2 | C3 | C4 | 0.1° | 0.0° |
| N2 | C7 | N1 | C4 | 0.1° | 0.0° |
| C7 | N2 | C9 | H15 | 1.1° | 175.1° |
| C3 | N2 | C7 | N1 | 0.0° | 0.0° |
| N2 | C3 | C2 | C4 | 179.7° | 179.9° |
| N2 | C3 | C2 | C1 | 179.9° | 179.9° |
| N2 | C3 | C4 | N1 | 0.2° | 0.0° |
| N2 | C3 | C4 | C5 | 179.7° | 180.0° |
| N2 | C3 | C2 | H2 | 0.1° | 0.1° |
| C3 | N2 | C9 | H15 | 179.2° | 4.8° |
| C7 | N1 | C4 | C3 | 0.2° | 0.0° |
| C7 | N1 | C4 | C5 | 179.7° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | N1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C3 | C2 | C1 | C6 | 0.1° | 0.0° |
| C3 | C2 | C1 | H1 | 179.9° | 179.7° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C3 | C4 | N1 | C5 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C3 | C4 | C5 | H3 | 179.5° | 180.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.4° | 0.0° |
| C2 | C1 | C6 | C11 | 179.8° | 179.7° |
| N1 | C4 | C5 | C6 | 179.6° | 179.9° |
| N1 | C4 | C5 | H3 | 0.4° | 0.0° |
| C4 | C5 | C6 | C1 | 0.7° | 0.0° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | C11 | 179.4° | 179.8° |
| C1 | C6 | C5 | C11 | 179.9° | 179.8° |
| C1 | C6 | C11 | O1 | 33.2° | 180.0° |
| C1 | C6 | C11 | N3 | 146.4° | 0.1° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C6 | C5 | H3 | 179.3° | 180.0° |
| C5 | C6 | C11 | O1 | 146.7° | 0.3° |
| C5 | C6 | C11 | N3 | 33.7° | 179.7° |
| C5 | C6 | C1 | H1 | 179.6° | 179.7° |
| C6 | C11 | O1 | N3 | 179.5° | 180.0° |
| C6 | C11 | N3 | C12 | 179.7° | 174.6° |
| C11 | C6 | C1 | H1 | 0.2° | 0.1° |
| C11 | C6 | C5 | H3 | 0.5° | 0.2° |
| C6 | C11 | N3 | H19 | 0.3° | 5.5° |
| O1 | C11 | N3 | C12 | 0.8° | 5.4° |
| O1 | C11 | N3 | H19 | 179.2° | 174.5° |
| C11 | N3 | C12 | H19 | 180.0° | 179.9° |
| C11 | N3 | C12 | C17 | 165.6° | 146.1° |
| C11 | N3 | C12 | C13 | 15.0° | 34.2° |
| N3 | C12 | C17 | C13 | 179.5° | 179.7° |
| N3 | C12 | C17 | C16 | 179.8° | 179.8° |
| N3 | C12 | C13 | C14 | 179.7° | 179.8° |
| N3 | C12 | C13 | H4 | 0.3° | 0.3° |
| N3 | C12 | C17 | H7 | 0.2° | 0.3° |
| C12 | C17 | C16 | H7 | 180.0° | 180.0° |
| C17 | C12 | C13 | C14 | 0.2° | 0.1° |
| C12 | C17 | C16 | C15 | 0.2° | 0.0° |
| C17 | C12 | C13 | H4 | 179.8° | 179.9° |
| C12 | C17 | C16 | H6 | 179.8° | 180.0° |
| C17 | C12 | N3 | H19 | 14.4° | 33.8° |
| C13 | C12 | C17 | C16 | 0.3° | 0.0° |
| C12 | C13 | C14 | H4 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C12 | C13 | C14 | H5 | 179.9° | 179.9° |
| C13 | C12 | C17 | H7 | 179.7° | 180.0° |
| C13 | C12 | N3 | H19 | 165.1° | 145.9° |
| C17 | C16 | C15 | H6 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C17 | C16 | C15 | C30 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C13 | C14 | C15 | H5 | 180.0° | 180.0° |
| C13 | C14 | C15 | C30 | 180.0° | 180.0° |
| C16 | C15 | C14 | C30 | 180.0° | 180.0° |
| C16 | C15 | C30 | N4 | 179.5° | 33.1° |
| C16 | C15 | C14 | H5 | 180.0° | 180.0° |
| C15 | C16 | C17 | H7 | 179.8° | 180.0° |
| C14 | C15 | C30 | N4 | 0.5° | 146.9° |
| C15 | C14 | C13 | H4 | 179.9° | 179.9° |
| C14 | C15 | C16 | H6 | 180.0° | 180.0° |
| C30 | C15 | C14 | H5 | 0.0° | 0.0° |
| C30 | C15 | C16 | H6 | 0.0° | 0.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.3° |
| H4 | C13 | C14 | H5 | 0.1° | 0.1° |
| H6 | C16 | C17 | H7 | 0.2° | 0.0° |
| H8 | C25 | C26 | H10 | 62.7° | 180.0° |
| H8 | C25 | C24 | H24 | 63.6° | 60.0° |
| H8 | C25 | C24 | H25 | 55.7° | 180.0° |
| H9 | C25 | C26 | H10 | 177.9° | 60.1° |
| H9 | C25 | C24 | H24 | 55.9° | 59.9° |
| H9 | C25 | C24 | H25 | 175.2° | 60.0° |
| H10 | C26 | C27 | H11 | 64.4° | 60.0° |
| H10 | C26 | C27 | H12 | 176.1° | 179.9° |
| H10 | C26 | C9 | H15 | 154.7° | 172.5° |
| H11 | C27 | C28 | H26 | 61.1° | 60.0° |
| H11 | C27 | C28 | H27 | 58.5° | 60.0° |
| H12 | C27 | C28 | H26 | 58.4° | 180.0° |
| H12 | C27 | C28 | H27 | 177.9° | 60.0° |
| H13 | C29 | C24 | H24 | 52.8° | 60.0° |
| H13 | C29 | C24 | H25 | 172.0° | 180.0° |
| H13 | C29 | C28 | H26 | 53.6° | NaN° |
| H13 | C29 | C28 | H27 | 173.1° | 60.0° |
| H14 | C29 | C24 | H24 | 66.7° | 60.0° |
| H14 | C29 | C24 | H25 | 52.6° | 60.1° |
| H14 | C29 | C28 | H26 | 65.9° | 60.0° |
| H14 | C29 | C28 | H27 | 53.7° | 60.0° |
| H15 | C9 | C10 | H16 | 65.7° | 89.7° |
| H15 | C9 | C10 | H17 | 174.3° | 30.2° |
| H15 | C9 | C10 | H18 | 54.3° | 150.3° |
| H16 | C10 | H17 | H18 | 120.0° | 120.0° |
