8J8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| O2 | C22 | doub | 1.21Å | 1.23Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C22 | N1 | sing | 1.35Å | 1.34Å | |
| C3 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.48Å | 1.49Å | |
| C | C1 | sing | 1.51Å | 1.51Å | |
| N1 | C21 | sing | 1.46Å | 1.46Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | doub | 1.39Å | 1.43Å | Aromatic |
| C2 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | O3 | sing | 1.43Å | 1.43Å | |
| C1 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | N | sing | 1.47Å | 1.47Å | |
| N | C19 | sing | 1.47Å | 1.47Å | |
| O3 | C24 | sing | 1.36Å | 1.37Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| O | C14 | sing | 1.36Å | 1.38Å | |
| O | C13 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | C17 | sing | 1.43Å | 1.43Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| N1 | H15 | sing | 0.97Å | 1.00Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| N | H25 | sing | 1.01Å | 1.00Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.08Å | 1.08Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 120.4° | 120.1° |
| C5 | C6 | C7 | 119.7° | 120.2° |
| C6 | C5 | H2 | 119.8° | 120.0° |
| C5 | C6 | H3 | 120.1° | 119.9° |
| C5 | C4 | C3 | 120.7° | 119.9° |
| C5 | C4 | H1 | 119.6° | 120.1° |
| C4 | C5 | H2 | 119.8° | 119.9° |
| C6 | C7 | C8 | 120.2° | 120.1° |
| C7 | C6 | H3 | 120.1° | 119.9° |
| C6 | C7 | H4 | 119.9° | 119.9° |
| O2 | C22 | C23 | 121.8° | 120.0° |
| O2 | C22 | N1 | 121.9° | 120.0° |
| C4 | C3 | C8 | 118.1° | 119.8° |
| C4 | C3 | C2 | 121.0° | 120.1° |
| C3 | C4 | H1 | 119.7° | 120.0° |
| C7 | C8 | C3 | 120.9° | 119.9° |
| C8 | C7 | H4 | 119.9° | 119.9° |
| C7 | C8 | H5 | 119.6° | 120.0° |
| C23 | C22 | N1 | 116.3° | 120.0° |
| C22 | C23 | H18 | 109.5° | 109.4° |
| C22 | C23 | H19 | 109.4° | 109.5° |
| C22 | C23 | H20 | 109.4° | 109.4° |
| C22 | N1 | C21 | 123.5° | 120.0° |
| C22 | N1 | H15 | 118.3° | 120.0° |
| C8 | C3 | C2 | 120.1° | 120.1° |
| C3 | C8 | H5 | 119.6° | 120.1° |
| C3 | C2 | C1 | 125.5° | 120.1° |
| C3 | C2 | C9 | 114.5° | 120.1° |
| C | C1 | C2 | 121.2° | 120.1° |
| C | C1 | C12 | 120.8° | 120.1° |
| C1 | C | H31 | 109.5° | 109.5° |
| C1 | C | H32 | 109.5° | 109.4° |
| C1 | C | H33 | 109.5° | 109.5° |
| N1 | C21 | C20 | 111.9° | 109.5° |
| C21 | N1 | H15 | 118.3° | 120.0° |
| N1 | C21 | H21 | 108.9° | 109.5° |
| N1 | C21 | H22 | 108.8° | 109.5° |
| C21 | C20 | N | 111.9° | 109.5° |
| C20 | C21 | H21 | 108.8° | 109.5° |
| C20 | C21 | H22 | 108.9° | 109.4° |
| C21 | C20 | H23 | 108.8° | 109.5° |
| C21 | C20 | H24 | 108.9° | 109.5° |
| C1 | C2 | C9 | 120.1° | 119.8° |
| C2 | C1 | C12 | 118.0° | 119.8° |
| C2 | C9 | C10 | 120.4° | 119.8° |
| C2 | C9 | H6 | 119.8° | 120.0° |
| C25 | O3 | C24 | 117.4° | 117.0° |
| O3 | C25 | H27 | 109.5° | 109.5° |
| O3 | C25 | H28 | 109.5° | 109.4° |
| O3 | C25 | H29 | 109.5° | 109.4° |
| C1 | C12 | C13 | 126.3° | 119.9° |
| C1 | C12 | C11 | 120.4° | 120.2° |
| C20 | N | C19 | 113.7° | 111.0° |
| N | C20 | H23 | 108.9° | 109.4° |
| N | C20 | H24 | 108.9° | 109.4° |
| C20 | N | H25 | 108.4° | 111.0° |
| N | C19 | C18 | 112.4° | 109.5° |
| N | C19 | H16 | 108.7° | 109.5° |
| N | C19 | H17 | 108.7° | 109.5° |
| C19 | N | H25 | 108.4° | 110.9° |
| O3 | C24 | C26 | 123.2° | 120.1° |
| O3 | C24 | C18 | 115.1° | 120.0° |
| C9 | C10 | C11 | 120.2° | 120.1° |
| C10 | C9 | H6 | 119.8° | 120.1° |
| C9 | C10 | H7 | 119.9° | 119.9° |
| C24 | C26 | C14 | 119.2° | 120.1° |
| C26 | C24 | C18 | 121.8° | 120.0° |
| C24 | C26 | H30 | 120.4° | 120.0° |
| C26 | C14 | O | 120.9° | 120.0° |
| C26 | C14 | C15 | 120.9° | 119.9° |
| C14 | C26 | H30 | 120.4° | 120.0° |
| C24 | C18 | C19 | 123.1° | 120.0° |
| C24 | C18 | C16 | 117.1° | 120.0° |
| C14 | O | C13 | 115.4° | 117.0° |
| O | C14 | C15 | 118.0° | 120.0° |
| O | C13 | C12 | 120.7° | 109.5° |
| O | C13 | H9 | 106.6° | 109.5° |
| O | C13 | H10 | 106.6° | 109.5° |
| C13 | C12 | C11 | 112.6° | 119.9° |
| C12 | C13 | H9 | 106.6° | 109.5° |
| C12 | C13 | H10 | 106.6° | 109.5° |
| C12 | C11 | C10 | 120.8° | 120.2° |
| C12 | C11 | H8 | 119.6° | 119.9° |
| C14 | C15 | C16 | 119.1° | 120.0° |
| C14 | C15 | H11 | 120.5° | 120.0° |
| C19 | C18 | C16 | 119.5° | 120.0° |
| C18 | C19 | H16 | 108.7° | 109.5° |
| C18 | C19 | H17 | 108.7° | 109.5° |
| C18 | C16 | C15 | 121.9° | 120.0° |
| C18 | C16 | O1 | 114.9° | 120.0° |
| C11 | C10 | H7 | 119.9° | 120.0° |
| C10 | C11 | H8 | 119.6° | 119.9° |
| C15 | C16 | O1 | 123.2° | 120.0° |
| C16 | C15 | H11 | 120.4° | 120.0° |
| C16 | O1 | C17 | 117.4° | 117.0° |
| O1 | C17 | H12 | 109.5° | 109.5° |
| O1 | C17 | H13 | 109.5° | 109.5° |
| O1 | C17 | H14 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.4° | 109.4° |
| H12 | C17 | H13 | 109.5° | 109.4° |
| H12 | C17 | H14 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.4° |
| H18 | C23 | H19 | 109.5° | 109.6° |
| H18 | C23 | H20 | 109.5° | 109.5° |
| H19 | C23 | H20 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H23 | C20 | H24 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.5° |
| H27 | C25 | H29 | 109.5° | 109.5° |
| H28 | C25 | H29 | 109.5° | 109.5° |
| H31 | C | H32 | 109.5° | 109.5° |
| H31 | C | H33 | 109.4° | 109.5° |
| H32 | C | H33 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 1.1° | 0.1° |
| C5 | C6 | C7 | C8 | 1.0° | 0.0° |
| C6 | C5 | C4 | H1 | 178.9° | 180.0° |
| C5 | C6 | C7 | H4 | 178.9° | 180.0° |
| C4 | C5 | C6 | C7 | 0.8° | 0.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.9° |
| C5 | C4 | C3 | C8 | 2.7° | 0.1° |
| C5 | C4 | C3 | C2 | 167.0° | 179.7° |
| C4 | C5 | C6 | H3 | 179.2° | 180.0° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C6 | C7 | C8 | C3 | 0.6° | 0.0° |
| C7 | C6 | C5 | H2 | 179.2° | 180.0° |
| C6 | C7 | C8 | H5 | 179.4° | 179.7° |
| O2 | C22 | C23 | N1 | 179.7° | 180.0° |
| O2 | C22 | N1 | C21 | 0.6° | 0.0° |
| O2 | C22 | N1 | H15 | 179.4° | 180.0° |
| O2 | C22 | C23 | H18 | 0.0° | 0.1° |
| O2 | C22 | C23 | H19 | 120.0° | 120.0° |
| O2 | C22 | C23 | H20 | 120.0° | 120.0° |
| C4 | C3 | C8 | C7 | 2.4° | 0.0° |
| C4 | C3 | C8 | C2 | 169.8° | 179.8° |
| C4 | C3 | C2 | C1 | 67.3° | 123.7° |
| C4 | C3 | C2 | C9 | 113.4° | 56.3° |
| C3 | C4 | C5 | H2 | 178.9° | 180.0° |
| C4 | C3 | C8 | H5 | 177.6° | 179.7° |
| C7 | C8 | C3 | H5 | 180.0° | 179.7° |
| C7 | C8 | C3 | C2 | 167.4° | 179.8° |
| C8 | C7 | C6 | H3 | 178.9° | 179.9° |
| C23 | C22 | N1 | C21 | 179.1° | 180.0° |
| C23 | C22 | N1 | H15 | 0.9° | 0.0° |
| C22 | C23 | H18 | H19 | 120.0° | 120.0° |
| C22 | C23 | H18 | H20 | 120.0° | 119.9° |
| C22 | C23 | H19 | H20 | 120.0° | 119.9° |
| C22 | N1 | C21 | H15 | 180.0° | 180.0° |
| C22 | N1 | C21 | C20 | 164.4° | 180.0° |
| N1 | C22 | C23 | H18 | 179.7° | 180.0° |
| N1 | C22 | C23 | H19 | 59.7° | 60.0° |
| N1 | C22 | C23 | H20 | 60.3° | 60.0° |
| C22 | N1 | C21 | H21 | 44.0° | 60.0° |
| C22 | N1 | C21 | H22 | 75.2° | 60.0° |
| C8 | C3 | C2 | C1 | 123.2° | 56.1° |
| C8 | C3 | C2 | C9 | 56.1° | 124.0° |
| C8 | C3 | C4 | H1 | 177.3° | 180.0° |
| C3 | C8 | C7 | H4 | 179.4° | 179.9° |
| C3 | C2 | C1 | C | 2.0° | 0.3° |
| C3 | C2 | C1 | C9 | 179.2° | 180.0° |
| C3 | C2 | C1 | C12 | 178.8° | 180.0° |
| C3 | C2 | C9 | C10 | 177.7° | 180.0° |
| C2 | C3 | C4 | H1 | 13.0° | 0.2° |
| C2 | C3 | C8 | H5 | 12.6° | 0.1° |
| C3 | C2 | C9 | H6 | 2.3° | 0.0° |
| C | C1 | C2 | C12 | 179.2° | 179.7° |
| C | C1 | C2 | C9 | 178.8° | 179.7° |
| C | C1 | C12 | C13 | 11.9° | 0.3° |
| C | C1 | C12 | C11 | 178.9° | 179.7° |
| C1 | C | H31 | H32 | 120.0° | 120.0° |
| C1 | C | H31 | H33 | 120.0° | 120.0° |
| C1 | C | H32 | H33 | 120.0° | 120.0° |
| N1 | C21 | C20 | H21 | 120.4° | 120.0° |
| N1 | C21 | C20 | H22 | 120.4° | 120.0° |
| N1 | C21 | C20 | N | 100.5° | 180.0° |
| N1 | C21 | H21 | H22 | 118.9° | 120.0° |
| N1 | C21 | C20 | H23 | 139.2° | 60.0° |
| N1 | C21 | C20 | H24 | 19.9° | 60.0° |
| C21 | C20 | N | H23 | 120.4° | 120.0° |
| C21 | C20 | N | H24 | 120.4° | 120.0° |
| C21 | C20 | N | C19 | 132.8° | 180.0° |
| C20 | C21 | N1 | H15 | 15.6° | 0.0° |
| C20 | C21 | H21 | H22 | 118.9° | 120.0° |
| C21 | C20 | H23 | H24 | 118.9° | 120.0° |
| C21 | C20 | N | H25 | 12.1° | 56.1° |
| C1 | C2 | C9 | C10 | 1.6° | 0.0° |
| C2 | C1 | C12 | C13 | 167.3° | 180.0° |
| C2 | C1 | C12 | C11 | 1.9° | 0.0° |
| C1 | C2 | C9 | H6 | 178.4° | 180.0° |
| C2 | C1 | C | H31 | 90.4° | 86.5° |
| C2 | C1 | C | H32 | 149.6° | 33.5° |
| C2 | C1 | C | H33 | 29.6° | 153.4° |
| C9 | C2 | C1 | C12 | 0.4° | 0.0° |
| C2 | C9 | C10 | H6 | 180.0° | 180.0° |
| C2 | C9 | C10 | C11 | 0.5° | 0.0° |
| C2 | C9 | C10 | H7 | 179.5° | 180.0° |
| C25 | O3 | C24 | C26 | 7.4° | 0.0° |
| C25 | O3 | C24 | C18 | 171.4° | 180.0° |
| O3 | C25 | H27 | H28 | 120.0° | 120.0° |
| O3 | C25 | H27 | H29 | 120.0° | 120.0° |
| O3 | C25 | H28 | H29 | 120.0° | 119.9° |
| C1 | C12 | C13 | O | 47.2° | 180.0° |
| C1 | C12 | C13 | C11 | 169.9° | 180.0° |
| C1 | C12 | C11 | C10 | 3.0° | 0.0° |
| C1 | C12 | C11 | H8 | 177.0° | 180.0° |
| C1 | C12 | C13 | H9 | 74.4° | 60.0° |
| C1 | C12 | C13 | H10 | 168.8° | 60.0° |
| C12 | C1 | C | H31 | 90.4° | 93.2° |
| C12 | C1 | C | H32 | 29.6° | 146.8° |
| C12 | C1 | C | H33 | 149.6° | 26.9° |
| C20 | N | C19 | H25 | 120.6° | 123.9° |
| C20 | N | C19 | C18 | 177.6° | 180.0° |
| C20 | N | C19 | H16 | 57.2° | 60.0° |
| C20 | N | C19 | H17 | 61.9° | 60.0° |
| N | C20 | C21 | H21 | 19.9° | 60.0° |
| N | C20 | C21 | H22 | 139.2° | 60.0° |
| N | C20 | H23 | H24 | 118.9° | 120.0° |
| N | C19 | C18 | C24 | 91.4° | 90.0° |
| N | C19 | C18 | H16 | 120.4° | 120.0° |
| N | C19 | C18 | H17 | 120.4° | 120.0° |
| N | C19 | C18 | C16 | 81.6° | 90.0° |
| N | C19 | H16 | H17 | 118.7° | 120.0° |
| C19 | N | C20 | H23 | 106.9° | 60.0° |
| C19 | N | C20 | H24 | 12.4° | 60.0° |
| O3 | C24 | C26 | C18 | 178.8° | 180.0° |
| O3 | C24 | C26 | C14 | 178.6° | 180.0° |
| O3 | C24 | C18 | C19 | 8.8° | 0.0° |
| O3 | C24 | C18 | C16 | 178.0° | 180.0° |
| C24 | O3 | C25 | H27 | 180.0° | 180.0° |
| C24 | O3 | C25 | H28 | 60.0° | 60.0° |
| C24 | O3 | C25 | H29 | 60.0° | 60.0° |
| O3 | C24 | C26 | H30 | 1.4° | 0.0° |
| C9 | C10 | C11 | C12 | 1.8° | 0.1° |
| C9 | C10 | C11 | H7 | 180.0° | 180.0° |
| C9 | C10 | C11 | H8 | 178.2° | 180.0° |
| C24 | C26 | C14 | H30 | 180.0° | 180.0° |
| C24 | C26 | C14 | O | 171.4° | 179.8° |
| C24 | C26 | C14 | C15 | 3.0° | 0.0° |
| C26 | C24 | C18 | C19 | 170.1° | 180.0° |
| C26 | C24 | C18 | C16 | 3.1° | 0.0° |
| C14 | C26 | C24 | C18 | 0.2° | 0.0° |
| C26 | C14 | O | C15 | 174.6° | 179.7° |
| C26 | C14 | O | C13 | 172.2° | 0.2° |
| C26 | C14 | C15 | C16 | 2.3° | 0.0° |
| C26 | C14 | C15 | H11 | 177.7° | 179.9° |
| C24 | C18 | C19 | C16 | 173.1° | 180.0° |
| C24 | C18 | C16 | C15 | 3.9° | 0.0° |
| C24 | C18 | C16 | O1 | 174.8° | 180.0° |
| C24 | C18 | C19 | H16 | 148.1° | 30.0° |
| C24 | C18 | C19 | H17 | 29.0° | 150.0° |
| C18 | C24 | C26 | H30 | 179.8° | 180.0° |
| C14 | O | C13 | C12 | 175.2° | 180.0° |
| O | C14 | C15 | C16 | 172.3° | 179.8° |
| C14 | O | C13 | H9 | 53.6° | 59.9° |
| C14 | O | C13 | H10 | 63.2° | 60.0° |
| O | C14 | C15 | H11 | 7.7° | 0.3° |
| O | C14 | C26 | H30 | 8.6° | 0.2° |
| O | C13 | C12 | H9 | 121.6° | 120.0° |
| O | C13 | C12 | H10 | 121.6° | 120.0° |
| O | C13 | C12 | C11 | 142.9° | 0.0° |
| C13 | O | C14 | C15 | 2.4° | 180.0° |
| O | C13 | H9 | H10 | 114.9° | 119.9° |
| C13 | C12 | C11 | C10 | 167.6° | 180.0° |
| C13 | C12 | C11 | H8 | 12.4° | 0.0° |
| C12 | C13 | H9 | H10 | 114.9° | 120.0° |
| C12 | C11 | C10 | H8 | 180.0° | 180.0° |
| C12 | C11 | C10 | H7 | 178.2° | 180.0° |
| C11 | C12 | C13 | H9 | 95.5° | 120.0° |
| C11 | C12 | C13 | H10 | 21.3° | 120.0° |
| C14 | C15 | C16 | C18 | 1.2° | 0.0° |
| C14 | C15 | C16 | H11 | 180.0° | 179.9° |
| C14 | C15 | C16 | O1 | 177.4° | 180.0° |
| C15 | C14 | C26 | H30 | 177.0° | 180.0° |
| C19 | C18 | C16 | C15 | 169.6° | 180.0° |
| C19 | C18 | C16 | O1 | 11.7° | 0.0° |
| C18 | C19 | H16 | H17 | 118.7° | 120.0° |
| C18 | C19 | N | H25 | 61.8° | 56.1° |
| C18 | C16 | C15 | O1 | 178.6° | 180.0° |
| C18 | C16 | O1 | C17 | 178.3° | 180.0° |
| C18 | C16 | C15 | H11 | 178.7° | 179.9° |
| C16 | C18 | C19 | H16 | 38.8° | 150.0° |
| C16 | C18 | C19 | H17 | 157.9° | 30.0° |
| C11 | C10 | C9 | H6 | 179.5° | 179.9° |
| C15 | C16 | O1 | C17 | 3.0° | 0.0° |
| O1 | C16 | C15 | H11 | 2.7° | 0.1° |
| C16 | O1 | C17 | H12 | 180.0° | 60.0° |
| C16 | O1 | C17 | H13 | 60.0° | 59.9° |
| C16 | O1 | C17 | H14 | 60.0° | 180.0° |
| O1 | C17 | H12 | H13 | 120.0° | 120.0° |
| O1 | C17 | H12 | H14 | 120.0° | 120.0° |
| O1 | C17 | H13 | H14 | 120.0° | 120.0° |
| H1 | C4 | C5 | H2 | 1.1° | 0.1° |
| H2 | C5 | C6 | H3 | 0.8° | 0.1° |
| H3 | C6 | C7 | H4 | 1.1° | 0.1° |
| H4 | C7 | C8 | H5 | 0.6° | 0.4° |
| H6 | C9 | C10 | H7 | 0.5° | 0.0° |
| H7 | C10 | C11 | H8 | 1.8° | 0.0° |
| H12 | C17 | H13 | H14 | 120.0° | 120.0° |
| H15 | N1 | C21 | H21 | 136.0° | 120.0° |
| H15 | N1 | C21 | H22 | 104.8° | 120.0° |
| H16 | C19 | N | H25 | 177.8° | 64.0° |
| H17 | C19 | N | H25 | 58.7° | 176.1° |
| H18 | C23 | H19 | H20 | 120.0° | 120.1° |
| H21 | C21 | C20 | H23 | 100.5° | 180.0° |
| H21 | C21 | C20 | H24 | 140.3° | 60.0° |
| H22 | C21 | C20 | H23 | 18.8° | 60.0° |
| H22 | C21 | C20 | H24 | 100.5° | 180.0° |
| H23 | C20 | N | H25 | 132.5° | 176.1° |
| H24 | C20 | N | H25 | 108.2° | 63.9° |
| H27 | C25 | H28 | H29 | 120.0° | 120.1° |
| H31 | C | H32 | H33 | 120.0° | 120.0° |
