2WT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C28 | sing | 1.44Å | 1.44Å | |
| O7 | C25 | sing | 1.36Å | 1.23Å | |
| C28 | O6 | sing | 1.44Å | 1.44Å | |
| O2 | C7 | doub | 1.22Å | 1.37Å | |
| C25 | C24 | doub | 1.39Å | 1.37Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.36Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| O6 | C26 | sing | 1.36Å | 1.24Å | |
| C7 | O3 | sing | 1.35Å | 1.20Å | |
| C7 | C3 | sing | 1.47Å | 1.39Å | |
| C26 | C27 | doub | 1.39Å | 1.37Å | Aromatic |
| I | C8 | sing | 2.10Å | 2.18Å | |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.40Å | Aromatic |
| C27 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| O4 | C17 | doub | 1.21Å | 1.21Å | |
| C5 | C8 | sing | 1.46Å | 1.34Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | doub | 1.36Å | 1.38Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.36Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | N2 | sing | 1.35Å | 1.38Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C6 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | N1 | sing | 1.37Å | 1.29Å | Aromatic |
| C9 | C11 | sing | 1.48Å | 1.38Å | |
| C9 | N1 | sing | 1.38Å | 1.31Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| N2 | C13 | sing | 1.40Å | 1.37Å | |
| C21 | N3 | sing | 1.46Å | 1.46Å | |
| C11 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| N1 | C10 | sing | 1.47Å | 1.51Å | |
| N3 | C20 | sing | 1.35Å | 1.37Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C20 | O5 | doub | 1.21Å | 1.22Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C27 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| O1 | H19 | sing | 0.97Å | 0.95Å | |
| C1 | H20 | sing | 1.08Å | 1.08Å | |
| C4 | H21 | sing | 1.08Å | 1.08Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| O3 | H23 | sing | 0.97Å | 0.95Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | O7 | C25 | 107.7° | 105.5° |
| O7 | C28 | O6 | 102.8° | 103.7° |
| O7 | C28 | H14 | 111.1° | 110.6° |
| O7 | C28 | H25 | 111.1° | 110.7° |
| O7 | C25 | C24 | 128.0° | 131.5° |
| O7 | C25 | C26 | 111.0° | 108.7° |
| C28 | O6 | C26 | 107.4° | 105.5° |
| O6 | C28 | H14 | 111.1° | 110.6° |
| O6 | C28 | H25 | 111.1° | 110.6° |
| O2 | C7 | O3 | 112.3° | 119.9° |
| O2 | C7 | C3 | 123.4° | 120.1° |
| C24 | C25 | C26 | 120.9° | 119.8° |
| C25 | C24 | C23 | 118.2° | 120.1° |
| C25 | C24 | H9 | 120.9° | 120.0° |
| C25 | C26 | O6 | 111.1° | 108.6° |
| C25 | C26 | C27 | 121.0° | 119.9° |
| C24 | C23 | C22 | 121.3° | 120.1° |
| C23 | C24 | H9 | 120.9° | 120.0° |
| C24 | C23 | H10 | 119.3° | 119.9° |
| O6 | C26 | C27 | 128.0° | 131.5° |
| O3 | C7 | C3 | 124.4° | 120.0° |
| C7 | O3 | H23 | 109.5° | 117.0° |
| C7 | C3 | C4 | 117.9° | 120.0° |
| C7 | C3 | C2 | 123.2° | 120.0° |
| C26 | C27 | C22 | 119.5° | 120.0° |
| C26 | C27 | H2 | 120.3° | 120.0° |
| I | C8 | C5 | 116.9° | 126.6° |
| I | C8 | C9 | 133.8° | 126.5° |
| C3 | C4 | C5 | 121.0° | 119.6° |
| C4 | C3 | C2 | 118.8° | 120.0° |
| C3 | C4 | H21 | 119.5° | 120.2° |
| C4 | C5 | C8 | 132.5° | 133.5° |
| C4 | C5 | C6 | 120.4° | 120.2° |
| C5 | C4 | H21 | 119.5° | 120.2° |
| C23 | C22 | C27 | 119.1° | 120.2° |
| C23 | C22 | C21 | 122.2° | 119.9° |
| C22 | C23 | H10 | 119.4° | 120.0° |
| C3 | C2 | O1 | 124.2° | 119.8° |
| C3 | C2 | C1 | 119.2° | 120.4° |
| C27 | C22 | C21 | 118.7° | 119.9° |
| C22 | C27 | H2 | 120.3° | 120.0° |
| O4 | C17 | N2 | 119.0° | 120.0° |
| O4 | C17 | C18 | 121.6° | 120.0° |
| C8 | C5 | C6 | 107.1° | 106.3° |
| C5 | C8 | C9 | 109.4° | 106.9° |
| C5 | C6 | C1 | 119.6° | 119.7° |
| C5 | C6 | N1 | 105.1° | 107.4° |
| C22 | C21 | N3 | 108.8° | 109.5° |
| C22 | C21 | H7 | 109.7° | 109.4° |
| C22 | C21 | H8 | 109.7° | 109.5° |
| C8 | C9 | C11 | 128.0° | 125.2° |
| C8 | C9 | N1 | 102.6° | 109.5° |
| O1 | C2 | C1 | 116.7° | 119.8° |
| C2 | O1 | H19 | 109.5° | 114.0° |
| C2 | C1 | C6 | 121.1° | 120.1° |
| C2 | C1 | H20 | 119.5° | 119.9° |
| N2 | C17 | C18 | 119.4° | 120.0° |
| C17 | N2 | C13 | 140.8° | 120.0° |
| C17 | N2 | H15 | 109.6° | 120.1° |
| C17 | C18 | C19 | 113.8° | 109.5° |
| C17 | C18 | H5 | 108.4° | 109.5° |
| C17 | C18 | H6 | 108.4° | 109.5° |
| C1 | C6 | N1 | 135.2° | 132.9° |
| C6 | C1 | H20 | 119.5° | 120.0° |
| C6 | N1 | C9 | 115.8° | 109.9° |
| C6 | N1 | C10 | 118.6° | 125.0° |
| C11 | C9 | N1 | 129.4° | 125.2° |
| C9 | C11 | C12 | 121.0° | 120.1° |
| C9 | C11 | C16 | 124.2° | 120.1° |
| C9 | N1 | C10 | 125.7° | 125.0° |
| C11 | C12 | C13 | 125.1° | 119.8° |
| C12 | C11 | C16 | 114.7° | 119.8° |
| C11 | C12 | H1 | 117.5° | 120.1° |
| C12 | C13 | N2 | 129.6° | 120.0° |
| C12 | C13 | C14 | 116.7° | 120.0° |
| C13 | C12 | H1 | 117.4° | 120.1° |
| N2 | C13 | C14 | 113.7° | 120.0° |
| C13 | N2 | H15 | 109.6° | 120.0° |
| C21 | N3 | C20 | 122.5° | 120.0° |
| N3 | C21 | H7 | 109.6° | 109.5° |
| N3 | C21 | H8 | 109.7° | 109.5° |
| C21 | N3 | H22 | 118.8° | 120.0° |
| C11 | C16 | C15 | 122.5° | 120.0° |
| C11 | C16 | H4 | 118.8° | 120.0° |
| C13 | C14 | C15 | 120.9° | 120.2° |
| C13 | C14 | H3 | 119.5° | 119.9° |
| N1 | C10 | H16 | 109.5° | 109.5° |
| N1 | C10 | H17 | 109.5° | 109.5° |
| N1 | C10 | H18 | 109.5° | 109.4° |
| N3 | C20 | C19 | 114.1° | 120.0° |
| N3 | C20 | O5 | 122.7° | 119.9° |
| C20 | N3 | H22 | 118.8° | 119.9° |
| C18 | C19 | C20 | 113.1° | 109.5° |
| C19 | C18 | H5 | 108.4° | 109.5° |
| C19 | C18 | H6 | 108.4° | 109.5° |
| C18 | C19 | H11 | 108.6° | 109.5° |
| C18 | C19 | H12 | 108.5° | 109.4° |
| C14 | C15 | C16 | 120.1° | 120.2° |
| C15 | C14 | H3 | 119.6° | 119.9° |
| C14 | C15 | H13 | 119.9° | 119.9° |
| C15 | C16 | H4 | 118.8° | 120.0° |
| C16 | C15 | H13 | 119.9° | 119.9° |
| C19 | C20 | O5 | 123.3° | 120.0° |
| C20 | C19 | H11 | 108.5° | 109.5° |
| C20 | C19 | H12 | 108.6° | 109.4° |
| H5 | C18 | H6 | 109.5° | 109.4° |
| H7 | C21 | H8 | 109.4° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H14 | C28 | H25 | 109.5° | 110.6° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H16 | C10 | H18 | 109.5° | 109.5° |
| H17 | C10 | H18 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C28 | O6 | H14 | 118.9° | 118.5° |
| O7 | C28 | O6 | H25 | 118.9° | 118.7° |
| C28 | O7 | C25 | C24 | 179.9° | 162.7° |
| C28 | O7 | C25 | C26 | 0.3° | 17.3° |
| O7 | C28 | O6 | C26 | 0.0° | 27.1° |
| O7 | C28 | H14 | H25 | 123.1° | 122.9° |
| C25 | O7 | C28 | O6 | 0.2° | 27.1° |
| O7 | C25 | C24 | C26 | 179.6° | 180.0° |
| O7 | C25 | C24 | C23 | 180.0° | 179.9° |
| O7 | C25 | C26 | O6 | 0.3° | 0.0° |
| O7 | C25 | C26 | C27 | 179.9° | 180.0° |
| O7 | C25 | C24 | H9 | 0.1° | 0.0° |
| C25 | O7 | C28 | H14 | 118.7° | 145.7° |
| C25 | O7 | C28 | H25 | 119.1° | 91.4° |
| C28 | O6 | C26 | C25 | 0.2° | 17.3° |
| C28 | O6 | C26 | C27 | 179.8° | 162.7° |
| O6 | C28 | H14 | H25 | 123.1° | 122.8° |
| O2 | C7 | O3 | C3 | 179.8° | 180.0° |
| O2 | C7 | C3 | C4 | 0.4° | 179.9° |
| O2 | C7 | C3 | C2 | 179.7° | 0.0° |
| O2 | C7 | O3 | H23 | 0.0° | 0.0° |
| C25 | C24 | C23 | H9 | 180.0° | 179.9° |
| C24 | C25 | C26 | O6 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.4° | 0.0° |
| C25 | C24 | C23 | C22 | 0.1° | 0.1° |
| C25 | C24 | C23 | H10 | 179.9° | 179.9° |
| C26 | C25 | C24 | C23 | 0.3° | 0.0° |
| C25 | C26 | O6 | C27 | 179.6° | 179.9° |
| C25 | C26 | C27 | C22 | 0.3° | 0.0° |
| C25 | C26 | C27 | H2 | 179.7° | 179.7° |
| C26 | C25 | C24 | H9 | 179.7° | 180.0° |
| C24 | C23 | C22 | H10 | 180.0° | 180.0° |
| C24 | C23 | C22 | C27 | 0.0° | 0.1° |
| C24 | C23 | C22 | C21 | 179.8° | 179.7° |
| O6 | C26 | C27 | C22 | 179.8° | 180.0° |
| O6 | C26 | C27 | H2 | 0.2° | 0.2° |
| C26 | O6 | C28 | H14 | 118.9° | 145.7° |
| C26 | O6 | C28 | H25 | 118.9° | 91.5° |
| O3 | C7 | C3 | C4 | 179.8° | 0.0° |
| O3 | C7 | C3 | C2 | 0.0° | 180.0° |
| C7 | C3 | C4 | C2 | 179.9° | 179.9° |
| C7 | C3 | C4 | C5 | 179.7° | 180.0° |
| C7 | C3 | C2 | O1 | 0.1° | 0.0° |
| C7 | C3 | C2 | C1 | 179.5° | 180.0° |
| C7 | C3 | C4 | H21 | 0.3° | 0.1° |
| C3 | C7 | O3 | H23 | 179.8° | 180.0° |
| C26 | C27 | C22 | C23 | 0.1° | 0.0° |
| C26 | C27 | C22 | H2 | 180.0° | 179.8° |
| C26 | C27 | C22 | C21 | 179.7° | 179.8° |
| I | C8 | C5 | C4 | 1.0° | 0.2° |
| I | C8 | C5 | C9 | 179.9° | 179.8° |
| I | C8 | C5 | C6 | 179.2° | 179.8° |
| I | C8 | C9 | C11 | 0.8° | 0.2° |
| I | C8 | C9 | N1 | 179.2° | 179.8° |
| C3 | C4 | C5 | H21 | 180.0° | 179.9° |
| C3 | C4 | C5 | C8 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C4 | C3 | C2 | O1 | 179.7° | 180.0° |
| C4 | C3 | C2 | C1 | 0.7° | 0.1° |
| C5 | C4 | C3 | C2 | 0.5° | 0.1° |
| C4 | C5 | C8 | C6 | 179.8° | 180.0° |
| C4 | C5 | C8 | C9 | 178.9° | 180.0° |
| C4 | C5 | C6 | C1 | 0.7° | 0.1° |
| C4 | C5 | C6 | N1 | 179.4° | 180.0° |
| C23 | C22 | C27 | C21 | 179.8° | 179.8° |
| C23 | C22 | C21 | N3 | 33.3° | 90.2° |
| C23 | C22 | C27 | H2 | 179.9° | 179.8° |
| C23 | C22 | C21 | H7 | 153.2° | 29.8° |
| C23 | C22 | C21 | H8 | 86.6° | 149.8° |
| C22 | C23 | C24 | H9 | 179.9° | 180.0° |
| C3 | C2 | O1 | C1 | 179.6° | 179.9° |
| C3 | C2 | C1 | C6 | 0.2° | 0.0° |
| C3 | C2 | O1 | H19 | 180.0° | 90.1° |
| C3 | C2 | C1 | H20 | 179.8° | 179.9° |
| C2 | C3 | C4 | H21 | 179.5° | 179.9° |
| C27 | C22 | C21 | N3 | 146.9° | 90.0° |
| C27 | C22 | C21 | H7 | 27.0° | 150.0° |
| C27 | C22 | C21 | H8 | 93.2° | 30.0° |
| C27 | C22 | C23 | H10 | 180.0° | 179.9° |
| O4 | C17 | N2 | C18 | 179.7° | 180.0° |
| O4 | C17 | N2 | C13 | 103.8° | 4.6° |
| O4 | C17 | C18 | C19 | 66.6° | 0.0° |
| O4 | C17 | C18 | H5 | 54.1° | 120.0° |
| O4 | C17 | C18 | H6 | 172.8° | 120.0° |
| O4 | C17 | N2 | H15 | 76.2° | 175.4° |
| C8 | C5 | C6 | C1 | 179.5° | 179.9° |
| C8 | C5 | C6 | N1 | 0.4° | 0.0° |
| C5 | C8 | C9 | C11 | 179.0° | 180.0° |
| C5 | C8 | C9 | N1 | 1.0° | 0.0° |
| C8 | C5 | C4 | H21 | 0.0° | 0.0° |
| C6 | C5 | C8 | C9 | 0.9° | 0.0° |
| C5 | C6 | C1 | C2 | 0.5° | 0.1° |
| C5 | C6 | C1 | N1 | 179.9° | 179.9° |
| C5 | C6 | N1 | C9 | 0.2° | 0.0° |
| C5 | C6 | N1 | C10 | 179.8° | 179.9° |
| C5 | C6 | C1 | H20 | 179.5° | 180.0° |
| C6 | C5 | C4 | H21 | 179.8° | 180.0° |
| C22 | C21 | N3 | H7 | 119.9° | 120.0° |
| C22 | C21 | N3 | H8 | 119.9° | 120.0° |
| C22 | C21 | N3 | C20 | 115.2° | 180.0° |
| C21 | C22 | C27 | H2 | 0.3° | 0.0° |
| C22 | C21 | H7 | H8 | 120.3° | 120.0° |
| C21 | C22 | C23 | H10 | 0.2° | 0.3° |
| C22 | C21 | N3 | H22 | 64.8° | 0.0° |
| C8 | C9 | N1 | C6 | 0.7° | 0.0° |
| C8 | C9 | C11 | N1 | 180.0° | 180.0° |
| C8 | C9 | C11 | C12 | 95.9° | 44.7° |
| C8 | C9 | C11 | C16 | 84.1° | 135.0° |
| C8 | C9 | N1 | C10 | 179.7° | 179.9° |
| O1 | C2 | C1 | C6 | 179.8° | 179.9° |
| O1 | C2 | C1 | H20 | 0.2° | 0.0° |
| C2 | C1 | C6 | H20 | 180.0° | 179.9° |
| C2 | C1 | C6 | N1 | 179.6° | 180.0° |
| C1 | C2 | O1 | H19 | 0.4° | 89.9° |
| C17 | N2 | C13 | C12 | 32.7° | 144.9° |
| C17 | N2 | C13 | H15 | 180.0° | 180.0° |
| C17 | N2 | C13 | C14 | 147.6° | 35.1° |
| N2 | C17 | C18 | C19 | 113.2° | 180.0° |
| N2 | C17 | C18 | H5 | 126.2° | 60.0° |
| N2 | C17 | C18 | H6 | 7.5° | 59.9° |
| C18 | C17 | N2 | C13 | 76.5° | 175.4° |
| C17 | C18 | C19 | H5 | 120.6° | 120.0° |
| C17 | C18 | C19 | H6 | 120.6° | 120.0° |
| C17 | C18 | C19 | C20 | 144.2° | 180.0° |
| C17 | C18 | H5 | H6 | 118.0° | 120.0° |
| C17 | C18 | C19 | H11 | 95.3° | 60.0° |
| C17 | C18 | C19 | H12 | 23.7° | 60.0° |
| C18 | C17 | N2 | H15 | 103.5° | 4.6° |
| C1 | C6 | N1 | C9 | 179.9° | 179.9° |
| C1 | C6 | N1 | C10 | 0.3° | 0.0° |
| C6 | N1 | C9 | C11 | 179.3° | 180.0° |
| C6 | N1 | C9 | C10 | 179.6° | 179.9° |
| C6 | N1 | C10 | H16 | 180.0° | 90.0° |
| C6 | N1 | C10 | H17 | 60.0° | 30.1° |
| C6 | N1 | C10 | H18 | 60.0° | 150.0° |
| N1 | C6 | C1 | H20 | 0.4° | 0.1° |
| C9 | C11 | C12 | C16 | 180.0° | 179.7° |
| C9 | C11 | C12 | C13 | 179.7° | 179.7° |
| C11 | C9 | N1 | C10 | 0.3° | 0.1° |
| C9 | C11 | C16 | C15 | 179.8° | 179.7° |
| C9 | C11 | C12 | H1 | 0.3° | 0.3° |
| C9 | C11 | C16 | H4 | 0.2° | 0.3° |
| N1 | C9 | C11 | C12 | 84.1° | 135.3° |
| N1 | C9 | C11 | C16 | 95.9° | 45.0° |
| C9 | N1 | C10 | H16 | 0.4° | 89.9° |
| C9 | N1 | C10 | H17 | 119.6° | 150.0° |
| C9 | N1 | C10 | H18 | 120.4° | 30.0° |
| C11 | C12 | C13 | H1 | 180.0° | 179.9° |
| C11 | C12 | C13 | N2 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C12 | C11 | C16 | C15 | 0.1° | 0.1° |
| C12 | C11 | C16 | H4 | 179.9° | 180.0° |
| C12 | C13 | N2 | C14 | 179.8° | 180.0° |
| C13 | C12 | C11 | C16 | 0.3° | 0.1° |
| C12 | C13 | C14 | C15 | 0.4° | 0.0° |
| C12 | C13 | C14 | H3 | 179.7° | 180.0° |
| C12 | C13 | N2 | H15 | 147.4° | 35.1° |
| N2 | C13 | C14 | C15 | 179.8° | 180.0° |
| N2 | C13 | C12 | H1 | 0.2° | 0.0° |
| N2 | C13 | C14 | H3 | 0.2° | 0.0° |
| C21 | N3 | C20 | H22 | 180.0° | 180.0° |
| C21 | N3 | C20 | C19 | 91.7° | 180.0° |
| C21 | N3 | C20 | O5 | 88.0° | 0.0° |
| N3 | C21 | H7 | H8 | 120.3° | 120.1° |
| C11 | C16 | C15 | C14 | 0.2° | 0.1° |
| C11 | C16 | C15 | H4 | 180.0° | 179.9° |
| C16 | C11 | C12 | H1 | 179.7° | 180.0° |
| C11 | C16 | C15 | H13 | 179.8° | 179.9° |
| C13 | C14 | C15 | H3 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.1° |
| C14 | C13 | C12 | H1 | 179.6° | 180.0° |
| C13 | C14 | C15 | H13 | 179.7° | 179.9° |
| C14 | C13 | N2 | H15 | 32.4° | 144.9° |
| N1 | C10 | H16 | H17 | 120.0° | 120.0° |
| N1 | C10 | H16 | H18 | 120.0° | 119.9° |
| N1 | C10 | H17 | H18 | 120.0° | 119.9° |
| N3 | C20 | C19 | C18 | 93.1° | 180.0° |
| N3 | C20 | C19 | O5 | 179.8° | 180.0° |
| C20 | N3 | C21 | H7 | 4.7° | 60.0° |
| C20 | N3 | C21 | H8 | 124.9° | 60.0° |
| N3 | C20 | C19 | H11 | 146.4° | 60.0° |
| N3 | C20 | C19 | H12 | 27.4° | 60.0° |
| C18 | C19 | C20 | H11 | 120.5° | 120.0° |
| C18 | C19 | C20 | H12 | 120.5° | 120.0° |
| C18 | C19 | C20 | O5 | 87.1° | 0.0° |
| C19 | C18 | H5 | H6 | 118.0° | 120.0° |
| C18 | C19 | H11 | H12 | 118.3° | 120.0° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| C14 | C15 | C16 | H4 | 179.8° | 180.0° |
| C16 | C15 | C14 | H3 | 179.7° | 180.0° |
| C20 | C19 | C18 | H5 | 23.6° | 60.0° |
| C20 | C19 | C18 | H6 | 95.1° | 60.0° |
| C20 | C19 | H11 | H12 | 118.3° | 120.0° |
| C19 | C20 | N3 | H22 | 88.2° | 0.1° |
| O5 | C20 | C19 | H11 | 33.4° | 120.0° |
| O5 | C20 | C19 | H12 | 152.3° | 120.0° |
| O5 | C20 | N3 | H22 | 92.0° | 180.0° |
| H3 | C14 | C15 | H13 | 0.3° | 0.0° |
| H4 | C16 | C15 | H13 | 0.2° | 0.0° |
| H5 | C18 | C19 | H11 | 144.1° | 180.0° |
| H5 | C18 | C19 | H12 | 96.9° | 60.0° |
| H6 | C18 | C19 | H11 | 25.4° | 60.0° |
| H6 | C18 | C19 | H12 | 144.3° | 180.0° |
| H7 | C21 | N3 | H22 | 175.3° | 120.0° |
| H8 | C21 | N3 | H22 | 55.1° | 120.0° |
| H9 | C24 | C23 | H10 | 0.1° | 0.0° |
| H16 | C10 | H17 | H18 | 120.0° | 120.1° |
