UMM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | O7 | sing | 1.43Å | 1.44Å | |
| C27 | C28 | sing | 1.53Å | 1.50Å | |
| C22 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.42Å | Aromatic |
| O7 | C23 | sing | 1.36Å | 1.39Å | |
| C21 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C7 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C26 | sing | 1.53Å | 1.34Å | |
| C24 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.51Å | 1.50Å | |
| C7 | C10 | sing | 1.53Å | 1.55Å | |
| C7 | O2 | sing | 1.45Å | 1.43Å | |
| C18 | C12 | sing | 1.53Å | 1.55Å | |
| O3 | C6 | doub | 1.22Å | 1.23Å | |
| C26 | C25 | sing | 1.53Å | 1.49Å | |
| O2 | C6 | sing | 1.35Å | 1.35Å | |
| C6 | N1 | sing | 1.35Å | 1.36Å | |
| C12 | N4 | sing | 1.47Å | 1.43Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C25 | O5 | sing | 1.45Å | 1.41Å | |
| O5 | C17 | sing | 1.34Å | 1.33Å | |
| N4 | C1 | sing | 1.35Å | 1.32Å | |
| O4 | C11 | doub | 1.21Å | 1.23Å | |
| C11 | N2 | sing | 1.34Å | 1.33Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | C13 | sing | 1.52Å | 1.55Å | |
| C16 | N3 | sing | 1.47Å | 1.45Å | |
| C17 | O6 | doub | 1.21Å | 1.23Å | |
| N1 | C2 | sing | 1.46Å | 1.45Å | |
| C14 | C13 | sing | 1.52Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| N2 | N3 | sing | 1.37Å | 1.41Å | |
| N2 | C15 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.08Å | 1.08Å | |
| C22 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C9 | H37 | sing | 1.09Å | 1.10Å | |
| C9 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.09Å | 1.10Å | |
| N1 | H40 | sing | 0.97Å | 1.00Å | |
| N3 | H41 | sing | 1.01Å | 1.00Å | |
| N4 | H42 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C27 | C28 | 104.4° | 109.5° |
| C27 | O7 | C23 | 122.2° | 117.1° |
| O7 | C27 | H33 | 110.7° | 109.4° |
| O7 | C27 | H34 | 110.7° | 109.5° |
| C27 | C28 | C26 | 113.5° | 109.7° |
| C28 | C27 | H33 | 110.7° | 109.5° |
| C28 | C27 | H34 | 110.7° | 109.5° |
| C27 | C28 | H35 | 108.4° | 109.5° |
| C27 | C28 | H36 | 108.4° | 109.5° |
| C21 | C22 | C23 | 119.8° | 119.9° |
| C22 | C21 | C20 | 119.8° | 120.0° |
| C22 | C21 | H26 | 120.1° | 120.0° |
| C21 | C22 | H27 | 120.1° | 120.0° |
| C22 | C23 | O7 | 121.2° | 119.9° |
| C22 | C23 | C24 | 119.8° | 119.9° |
| C23 | C22 | H27 | 120.1° | 120.0° |
| O7 | C23 | C24 | 119.0° | 120.1° |
| C21 | C20 | C19 | 120.1° | 120.2° |
| C21 | C20 | H13 | 119.9° | 119.9° |
| C20 | C21 | H26 | 120.1° | 120.0° |
| C23 | C24 | C19 | 120.5° | 119.9° |
| C23 | C24 | H28 | 119.8° | 120.0° |
| C9 | C7 | C8 | 109.1° | 109.5° |
| C9 | C7 | C10 | 109.3° | 109.5° |
| C9 | C7 | O2 | 107.4° | 109.5° |
| C7 | C9 | H37 | 109.5° | 109.5° |
| C7 | C9 | H38 | 109.5° | 109.4° |
| C7 | C9 | H39 | 109.5° | 109.4° |
| C20 | C19 | C24 | 120.0° | 120.0° |
| C20 | C19 | C18 | 120.7° | 119.7° |
| C19 | C20 | H13 | 120.0° | 120.0° |
| C28 | C26 | C25 | 127.9° | 109.6° |
| C28 | C26 | H31 | 104.7° | 109.5° |
| C28 | C26 | H32 | 104.7° | 109.5° |
| C26 | C28 | H35 | 108.4° | 109.5° |
| C26 | C28 | H36 | 108.5° | 109.4° |
| C24 | C19 | C18 | 119.3° | 120.3° |
| C19 | C24 | H28 | 119.7° | 120.1° |
| C8 | C7 | C10 | 110.9° | 109.5° |
| C8 | C7 | O2 | 110.3° | 109.4° |
| C7 | C8 | H1 | 109.5° | 109.5° |
| C7 | C8 | H2 | 109.5° | 109.5° |
| C7 | C8 | H3 | 109.5° | 109.5° |
| C19 | C18 | C12 | 114.6° | 109.6° |
| C19 | C18 | H11 | 108.1° | 109.5° |
| C19 | C18 | H12 | 108.2° | 109.5° |
| C10 | C7 | O2 | 109.8° | 109.4° |
| C7 | C10 | H14 | 109.5° | 109.5° |
| C7 | C10 | H15 | 109.5° | 109.5° |
| C7 | C10 | H16 | 109.5° | 109.5° |
| C7 | O2 | C6 | 125.4° | 117.0° |
| C18 | C12 | N4 | 109.2° | 109.5° |
| C18 | C12 | C11 | 110.7° | 109.4° |
| C12 | C18 | H11 | 108.2° | 109.4° |
| C12 | C18 | H12 | 108.1° | 109.4° |
| C18 | C12 | H17 | 108.1° | 109.5° |
| O3 | C6 | O2 | 128.3° | 120.0° |
| O3 | C6 | N1 | 121.0° | 120.0° |
| C26 | C25 | O5 | 93.0° | 109.3° |
| C26 | C25 | H29 | 113.4° | 109.6° |
| C26 | C25 | H30 | 113.4° | 109.5° |
| C25 | C26 | H31 | 104.7° | 109.4° |
| C25 | C26 | H32 | 104.7° | 109.4° |
| O2 | C6 | N1 | 110.7° | 120.0° |
| C6 | N1 | C2 | 125.4° | 120.0° |
| C6 | N1 | H40 | 117.3° | 120.0° |
| N4 | C12 | C11 | 110.8° | 109.5° |
| C12 | N4 | C1 | 125.2° | 120.0° |
| N4 | C12 | H17 | 109.7° | 109.5° |
| C12 | N4 | H42 | 117.4° | 120.0° |
| C12 | C11 | O4 | 119.5° | 119.9° |
| C12 | C11 | N2 | 118.7° | 120.1° |
| C11 | C12 | H17 | 108.3° | 109.5° |
| C25 | O5 | C17 | 116.0° | 117.4° |
| O5 | C25 | H29 | 113.4° | 109.5° |
| O5 | C25 | H30 | 113.4° | 109.5° |
| O5 | C17 | C16 | 108.9° | 119.5° |
| O5 | C17 | O6 | 126.2° | 120.3° |
| N4 | C1 | C2 | 115.3° | 120.0° |
| N4 | C1 | O1 | 123.2° | 119.9° |
| C1 | N4 | H42 | 117.4° | 120.0° |
| O4 | C11 | N2 | 121.8° | 120.0° |
| C11 | N2 | N3 | 118.6° | 120.1° |
| C11 | N2 | C15 | 123.3° | 120.7° |
| C17 | C16 | C13 | 118.3° | 109.9° |
| C17 | C16 | N3 | 106.9° | 109.2° |
| C16 | C17 | O6 | 124.8° | 120.3° |
| C17 | C16 | H24 | 105.4° | 109.2° |
| C13 | C16 | N3 | 113.9° | 109.7° |
| C16 | C13 | C14 | 110.0° | 111.7° |
| C16 | C13 | H18 | 109.3° | 109.0° |
| C16 | C13 | H19 | 109.3° | 109.0° |
| C13 | C16 | H24 | 105.1° | 109.7° |
| C16 | N3 | N2 | 110.4° | 110.4° |
| N3 | C16 | H24 | 106.2° | 109.1° |
| C16 | N3 | H41 | 109.2° | 111.0° |
| N1 | C2 | C1 | 108.8° | 109.5° |
| N1 | C2 | C3 | 112.8° | 109.5° |
| N1 | C2 | H25 | 107.6° | 109.5° |
| C2 | N1 | H40 | 117.3° | 120.0° |
| C13 | C14 | C15 | 108.8° | 111.0° |
| C14 | C13 | H18 | 109.4° | 109.0° |
| C14 | C13 | H19 | 109.3° | 109.0° |
| C13 | C14 | H20 | 109.6° | 109.2° |
| C13 | C14 | H21 | 109.6° | 109.2° |
| C14 | C15 | N2 | 108.5° | 108.5° |
| C15 | C14 | H20 | 109.7° | 109.2° |
| C15 | C14 | H21 | 109.7° | 109.1° |
| C14 | C15 | H22 | 109.7° | 109.6° |
| C14 | C15 | H23 | 109.7° | 109.6° |
| C2 | C1 | O1 | 121.5° | 120.0° |
| C1 | C2 | C3 | 114.2° | 109.5° |
| C1 | C2 | H25 | 106.7° | 109.5° |
| N3 | N2 | C15 | 118.0° | 119.1° |
| N2 | N3 | H41 | 109.2° | 111.0° |
| N2 | C15 | H22 | 109.7° | 109.7° |
| N2 | C15 | H23 | 109.7° | 109.6° |
| C2 | C3 | C5 | 110.7° | 109.5° |
| C2 | C3 | C4 | 109.6° | 109.5° |
| C2 | C3 | H10 | 109.1° | 109.5° |
| C3 | C2 | H25 | 106.4° | 109.4° |
| C5 | C3 | C4 | 109.0° | 109.5° |
| C3 | C5 | H4 | 109.5° | 109.5° |
| C3 | C5 | H5 | 109.5° | 109.5° |
| C3 | C5 | H6 | 109.5° | 109.5° |
| C5 | C3 | H10 | 109.2° | 109.5° |
| C3 | C4 | H7 | 109.5° | 109.5° |
| C3 | C4 | H8 | 109.4° | 109.4° |
| C3 | C4 | H9 | 109.4° | 109.5° |
| C4 | C3 | H10 | 109.2° | 109.4° |
| H1 | C8 | H2 | 109.4° | 109.5° |
| H1 | C8 | H3 | 109.4° | 109.4° |
| H2 | C8 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H4 | C5 | H6 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.4° |
| H7 | C4 | H9 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.4° |
| H14 | C10 | H16 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.0° |
| H20 | C14 | H21 | 109.4° | 109.1° |
| H22 | C15 | H23 | 109.5° | 109.8° |
| H29 | C25 | H30 | 109.5° | 109.5° |
| H31 | C26 | H32 | 109.5° | 109.4° |
| H33 | C27 | H34 | 109.5° | 109.4° |
| H35 | C28 | H36 | 109.5° | 109.4° |
| H37 | C9 | H38 | 109.4° | 109.5° |
| H37 | C9 | H39 | 109.5° | 109.5° |
| H38 | C9 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C27 | C28 | H33 | 119.2° | 120.0° |
| O7 | C27 | C28 | H34 | 119.2° | 120.1° |
| C27 | O7 | C23 | C22 | 2.1° | 158.2° |
| C27 | O7 | C23 | C24 | 179.3° | 21.8° |
| O7 | C27 | C28 | C26 | 32.7° | 155.2° |
| O7 | C27 | H33 | H34 | 122.3° | 120.0° |
| O7 | C27 | C28 | H35 | 153.3° | 35.1° |
| O7 | C27 | C28 | H36 | 88.0° | 84.8° |
| C28 | C27 | O7 | C23 | 77.5° | 128.0° |
| C27 | C28 | C26 | H35 | 120.6° | 120.1° |
| C27 | C28 | C26 | H36 | 120.6° | 120.1° |
| C27 | C28 | C26 | C25 | 175.1° | 105.7° |
| C27 | C28 | C26 | H31 | 52.7° | 14.3° |
| C27 | C28 | C26 | H32 | 62.5° | 134.3° |
| C28 | C27 | H33 | H34 | 122.3° | 120.0° |
| C27 | C28 | H35 | H36 | 118.1° | 119.9° |
| C21 | C22 | C23 | H27 | 180.0° | 179.9° |
| C21 | C22 | C23 | O7 | 179.4° | 179.8° |
| C22 | C21 | C20 | H26 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.8° | 0.1° |
| C22 | C21 | C20 | C19 | 0.1° | 0.1° |
| C22 | C21 | C20 | H13 | 179.9° | 179.9° |
| C22 | C23 | O7 | C24 | 178.6° | 180.0° |
| C23 | C22 | C21 | C20 | 0.5° | 0.0° |
| C22 | C23 | C24 | C19 | 0.4° | 0.2° |
| C23 | C22 | C21 | H26 | 179.5° | 179.9° |
| C22 | C23 | C24 | H28 | 179.6° | 179.9° |
| O7 | C23 | C24 | C19 | 179.1° | 179.8° |
| O7 | C23 | C22 | H27 | 0.6° | 0.1° |
| O7 | C23 | C24 | H28 | 0.9° | 0.2° |
| C23 | O7 | C27 | H33 | 163.3° | 8.0° |
| C23 | O7 | C27 | H34 | 41.7° | 111.9° |
| C21 | C20 | C19 | H13 | 180.0° | 180.0° |
| C21 | C20 | C19 | C24 | 0.5° | 0.0° |
| C21 | C20 | C19 | C18 | 180.0° | 179.9° |
| C20 | C21 | C22 | H27 | 179.5° | 179.9° |
| C23 | C24 | C19 | C20 | 0.2° | 0.1° |
| C23 | C24 | C19 | H28 | 180.0° | 180.0° |
| C23 | C24 | C19 | C18 | 179.7° | 180.0° |
| C24 | C23 | C22 | H27 | 179.2° | 179.9° |
| C9 | C7 | C8 | C10 | 120.4° | 120.1° |
| C9 | C7 | C8 | O2 | 117.7° | 120.0° |
| C9 | C7 | C10 | O2 | 117.5° | 120.0° |
| C9 | C7 | O2 | C6 | 63.8° | 180.0° |
| C9 | C7 | C8 | H1 | 180.0° | 180.0° |
| C9 | C7 | C8 | H2 | 60.0° | 60.0° |
| C9 | C7 | C8 | H3 | 60.0° | 60.1° |
| C9 | C7 | C10 | H14 | 180.0° | 60.0° |
| C9 | C7 | C10 | H15 | 60.0° | 59.9° |
| C9 | C7 | C10 | H16 | 60.0° | 180.0° |
| C7 | C9 | H37 | H38 | 120.0° | 120.0° |
| C7 | C9 | H37 | H39 | 120.0° | 119.9° |
| C7 | C9 | H38 | H39 | 120.0° | 120.0° |
| C20 | C19 | C24 | C18 | 179.5° | 179.9° |
| C20 | C19 | C18 | C12 | 94.0° | 157.3° |
| C20 | C19 | C18 | H11 | 26.8° | 82.6° |
| C20 | C19 | C18 | H12 | 145.3° | 37.3° |
| C19 | C20 | C21 | H26 | 179.9° | 180.0° |
| C20 | C19 | C24 | H28 | 179.8° | 179.9° |
| C28 | C26 | C25 | H31 | 122.4° | 120.1° |
| C28 | C26 | C25 | H32 | 122.5° | 120.0° |
| C28 | C26 | C25 | O5 | 88.6° | 53.7° |
| C28 | C26 | C25 | H29 | 154.3° | 66.3° |
| C28 | C26 | C25 | H30 | 28.6° | 173.7° |
| C28 | C26 | H31 | H32 | 111.8° | 120.0° |
| C26 | C28 | C27 | H33 | 86.5° | 84.8° |
| C26 | C28 | C27 | H34 | 151.9° | 35.1° |
| C26 | C28 | H35 | H36 | 118.2° | 119.9° |
| C24 | C19 | C18 | C12 | 85.5° | 22.8° |
| C24 | C19 | C18 | H11 | 153.7° | 97.3° |
| C24 | C19 | C18 | H12 | 35.2° | 142.8° |
| C24 | C19 | C20 | H13 | 179.5° | 180.0° |
| C8 | C7 | C10 | O2 | 122.2° | 120.0° |
| C8 | C7 | O2 | C6 | 55.0° | 60.0° |
| C7 | C8 | H1 | H2 | 120.0° | 120.0° |
| C7 | C8 | H1 | H3 | 120.0° | 120.0° |
| C7 | C8 | H2 | H3 | 120.0° | 120.0° |
| C8 | C7 | C10 | H14 | 59.7° | 60.1° |
| C8 | C7 | C10 | H15 | 60.3° | 180.0° |
| C8 | C7 | C10 | H16 | 179.7° | 60.0° |
| C8 | C7 | C9 | H37 | 180.0° | 60.0° |
| C8 | C7 | C9 | H38 | 60.0° | 180.0° |
| C8 | C7 | C9 | H39 | 60.0° | 60.0° |
| C19 | C18 | C12 | H11 | 120.7° | 120.1° |
| C19 | C18 | C12 | H12 | 120.8° | 120.0° |
| C19 | C18 | C12 | N4 | 170.1° | 95.6° |
| C19 | C18 | C12 | C11 | 67.7° | 144.4° |
| C19 | C18 | H11 | H12 | 117.7° | 120.0° |
| C18 | C19 | C20 | H13 | 0.0° | 0.1° |
| C19 | C18 | C12 | H17 | 50.8° | 24.4° |
| C18 | C19 | C24 | H28 | 0.3° | 0.0° |
| C10 | C7 | O2 | C6 | 177.5° | 60.0° |
| C10 | C7 | C8 | H1 | 59.6° | 59.9° |
| C10 | C7 | C8 | H2 | 179.6° | 180.0° |
| C10 | C7 | C8 | H3 | 60.3° | 60.0° |
| C7 | C10 | H14 | H15 | 120.0° | 119.9° |
| C7 | C10 | H14 | H16 | 120.0° | 120.0° |
| C7 | C10 | H15 | H16 | 120.0° | 120.1° |
| C10 | C7 | C9 | H37 | 58.6° | 180.0° |
| C10 | C7 | C9 | H38 | 61.3° | 60.0° |
| C10 | C7 | C9 | H39 | 178.7° | 60.0° |
| C7 | O2 | C6 | O3 | 2.2° | 0.0° |
| C7 | O2 | C6 | N1 | 178.3° | 180.0° |
| O2 | C7 | C8 | H1 | 62.3° | 60.0° |
| O2 | C7 | C8 | H2 | 57.7° | 60.0° |
| O2 | C7 | C8 | H3 | 177.8° | 180.0° |
| O2 | C7 | C10 | H14 | 62.5° | 180.0° |
| O2 | C7 | C10 | H15 | 177.5° | 60.1° |
| O2 | C7 | C10 | H16 | 57.5° | 60.0° |
| O2 | C7 | C9 | H37 | 60.4° | 60.0° |
| O2 | C7 | C9 | H38 | 179.6° | 60.0° |
| O2 | C7 | C9 | H39 | 59.6° | 180.0° |
| C18 | C12 | N4 | C11 | 122.2° | 119.9° |
| C18 | C12 | N4 | H17 | 118.3° | 120.0° |
| C18 | C12 | C11 | H17 | 118.3° | 120.0° |
| C18 | C12 | N4 | C1 | 119.7° | 154.9° |
| C18 | C12 | C11 | O4 | 72.1° | 35.6° |
| C18 | C12 | C11 | N2 | 105.5° | 144.5° |
| C12 | C18 | H11 | H12 | 117.6° | 119.9° |
| C18 | C12 | N4 | H42 | 60.3° | 25.0° |
| O3 | C6 | O2 | N1 | 179.4° | 180.0° |
| O3 | C6 | N1 | C2 | 0.1° | 0.0° |
| O3 | C6 | N1 | H40 | 179.9° | 180.0° |
| C26 | C25 | O5 | H29 | 117.1° | 120.0° |
| C26 | C25 | O5 | H30 | 117.2° | 120.0° |
| C26 | C25 | O5 | C17 | 87.5° | 146.7° |
| C26 | C25 | H29 | H30 | 127.8° | 120.1° |
| C25 | C26 | H31 | H32 | 111.7° | 119.9° |
| C25 | C26 | C28 | H35 | 64.3° | 134.2° |
| C25 | C26 | C28 | H36 | 54.5° | 14.3° |
| O2 | C6 | N1 | C2 | 179.6° | 180.0° |
| O2 | C6 | N1 | H40 | 0.4° | 0.0° |
| C6 | N1 | C2 | H40 | 180.0° | 180.0° |
| C6 | N1 | C2 | C1 | 79.5° | 155.0° |
| C6 | N1 | C2 | C3 | 152.8° | 85.0° |
| C6 | N1 | C2 | H25 | 35.8° | 35.0° |
| N4 | C12 | C11 | H17 | 120.3° | 120.1° |
| C12 | N4 | C1 | H42 | 180.0° | 179.9° |
| N4 | C12 | C11 | O4 | 49.2° | 84.4° |
| N4 | C12 | C11 | N2 | 133.1° | 95.6° |
| C12 | N4 | C1 | C2 | 179.8° | 175.2° |
| C12 | N4 | C1 | O1 | 0.4° | 4.8° |
| N4 | C12 | C18 | H11 | 69.2° | 144.3° |
| N4 | C12 | C18 | H12 | 49.3° | 24.4° |
| C11 | C12 | N4 | C1 | 118.1° | 85.1° |
| C12 | C11 | O4 | N2 | 177.6° | 179.9° |
| C12 | C11 | N2 | N3 | 4.3° | 0.7° |
| C12 | C11 | N2 | C15 | 177.6° | 178.9° |
| C11 | C12 | C18 | H11 | 53.0° | 24.3° |
| C11 | C12 | C18 | H12 | 171.5° | 95.6° |
| C11 | C12 | N4 | H42 | 61.9° | 94.9° |
| C25 | O5 | C17 | C16 | 173.6° | 178.8° |
| C25 | O5 | C17 | O6 | 3.1° | 1.1° |
| O5 | C25 | H29 | H30 | 127.8° | 120.0° |
| O5 | C25 | C26 | H31 | 33.8° | 66.4° |
| O5 | C25 | C26 | H32 | 149.0° | 173.7° |
| O5 | C17 | C16 | O6 | 176.8° | 180.0° |
| O5 | C17 | C16 | C13 | 48.2° | 160.4° |
| O5 | C17 | C16 | N3 | 178.3° | 40.1° |
| O5 | C17 | C16 | H24 | 69.0° | 79.1° |
| C17 | O5 | C25 | H29 | 29.7° | 93.3° |
| C17 | O5 | C25 | H30 | 155.4° | 26.7° |
| N4 | C1 | C2 | N1 | 124.0° | 162.4° |
| N4 | C1 | C2 | O1 | 179.8° | 180.0° |
| N4 | C1 | C2 | C3 | 109.1° | 77.6° |
| C1 | N4 | C12 | H17 | 1.4° | 34.9° |
| N4 | C1 | C2 | H25 | 8.1° | 42.3° |
| O4 | C11 | N2 | N3 | 178.1° | 179.3° |
| O4 | C11 | N2 | C15 | 0.0° | 1.2° |
| O4 | C11 | C12 | H17 | 169.5° | 155.6° |
| C11 | N2 | N3 | C16 | 126.3° | 146.7° |
| C11 | N2 | C15 | C14 | 124.1° | 152.4° |
| C11 | N2 | N3 | C15 | 178.2° | 179.6° |
| N2 | C11 | C12 | H17 | 12.8° | 24.5° |
| C11 | N2 | C15 | H22 | 116.0° | 87.9° |
| C11 | N2 | C15 | H23 | 4.3° | 32.8° |
| C11 | N2 | N3 | H41 | 6.2° | 23.1° |
| C17 | C16 | C13 | N3 | 126.8° | 120.0° |
| C17 | C16 | C13 | H24 | 117.3° | 120.1° |
| C17 | C16 | N3 | H24 | 112.2° | 119.3° |
| C17 | C16 | C13 | C14 | 179.9° | 153.9° |
| C17 | C16 | N3 | N2 | 176.1° | 173.6° |
| C17 | C16 | C13 | H18 | 60.0° | 85.6° |
| C17 | C16 | C13 | H19 | 59.8° | 33.3° |
| C17 | C16 | N3 | H41 | 55.9° | 50.0° |
| C13 | C16 | N3 | H24 | 115.2° | 120.2° |
| C13 | C16 | C17 | O6 | 135.0° | 19.6° |
| C16 | C13 | C14 | H18 | 120.1° | 120.5° |
| C16 | C13 | C14 | H19 | 120.0° | 120.5° |
| C16 | C13 | C14 | C15 | 53.8° | 25.4° |
| C13 | C16 | N3 | N2 | 51.4° | 65.9° |
| C16 | C13 | H18 | H19 | 119.8° | 118.9° |
| C16 | C13 | C14 | H20 | 173.7° | 95.1° |
| C16 | C13 | C14 | H21 | 66.1° | 145.8° |
| C13 | C16 | N3 | H41 | 171.5° | 170.5° |
| N3 | C16 | C17 | O6 | 4.9° | 139.9° |
| N3 | C16 | C13 | C14 | 53.3° | 33.8° |
| C16 | N3 | N2 | H41 | 120.1° | 123.6° |
| C16 | N3 | N2 | C15 | 55.4° | 32.9° |
| N3 | C16 | C13 | H18 | 66.8° | 154.4° |
| N3 | C16 | C13 | H19 | 173.4° | 86.7° |
| O6 | C17 | C16 | H24 | 107.9° | 100.8° |
| N1 | C2 | C1 | C3 | 127.0° | 120.0° |
| N1 | C2 | C1 | H25 | 115.8° | 120.0° |
| N1 | C2 | C1 | O1 | 55.8° | 17.6° |
| N1 | C2 | C3 | H25 | 117.7° | 120.0° |
| N1 | C2 | C3 | C5 | 54.8° | 65.3° |
| N1 | C2 | C3 | C4 | 175.1° | 54.7° |
| N1 | C2 | C3 | H10 | 65.4° | 174.7° |
| C13 | C14 | C15 | H20 | 119.9° | 120.4° |
| C13 | C14 | C15 | H21 | 119.9° | 120.4° |
| C13 | C14 | C15 | N2 | 54.4° | 57.3° |
| C14 | C13 | H18 | H19 | 119.8° | 118.9° |
| C13 | C14 | H20 | H21 | 120.3° | 119.2° |
| C13 | C14 | C15 | H22 | 65.4° | 62.5° |
| C13 | C14 | C15 | H23 | 174.3° | 177.0° |
| C14 | C13 | C16 | H24 | 62.6° | 86.0° |
| C14 | C15 | N2 | N3 | 57.7° | 28.0° |
| C14 | C15 | N2 | H22 | 119.9° | 119.7° |
| C14 | C15 | N2 | H23 | 119.8° | 119.7° |
| C15 | C14 | C13 | H18 | 66.3° | 95.1° |
| C15 | C14 | C13 | H19 | 173.8° | 145.9° |
| C15 | C14 | H20 | H21 | 120.3° | 119.2° |
| C14 | C15 | H22 | H23 | 120.5° | 120.5° |
| C1 | C2 | C3 | H25 | 117.4° | 120.0° |
| C1 | C2 | C3 | C5 | 179.7° | 174.7° |
| C1 | C2 | C3 | C4 | 60.1° | 65.3° |
| C1 | C2 | C3 | H10 | 59.4° | 54.7° |
| C1 | C2 | N1 | H40 | 100.5° | 25.0° |
| C2 | C1 | N4 | H42 | 0.2° | 4.7° |
| O1 | C1 | C2 | C3 | 71.1° | 102.4° |
| O1 | C1 | C2 | H25 | 171.6° | 137.7° |
| O1 | C1 | N4 | H42 | 179.6° | 175.3° |
| N3 | N2 | C15 | H22 | 62.1° | 91.7° |
| N3 | N2 | C15 | H23 | 177.6° | 147.7° |
| N2 | N3 | C16 | H24 | 63.9° | 54.3° |
| N2 | C15 | C14 | H20 | 174.4° | 63.2° |
| N2 | C15 | C14 | H21 | 65.4° | 177.7° |
| N2 | C15 | H22 | H23 | 120.4° | 120.5° |
| C15 | N2 | N3 | H41 | 175.6° | 156.4° |
| C2 | C3 | C5 | C4 | 120.6° | 120.0° |
| C2 | C3 | C5 | H10 | 120.1° | 120.0° |
| C2 | C3 | C4 | H10 | 119.4° | 120.0° |
| C2 | C3 | C5 | H4 | 180.0° | 171.7° |
| C2 | C3 | C5 | H5 | 60.0° | 51.7° |
| C2 | C3 | C5 | H6 | 60.0° | 68.3° |
| C2 | C3 | C4 | H7 | 180.0° | 60.0° |
| C2 | C3 | C4 | H8 | 60.0° | 60.0° |
| C2 | C3 | C4 | H9 | 60.0° | 180.0° |
| C3 | C2 | N1 | H40 | 27.2° | 95.0° |
| C5 | C3 | C4 | H10 | 119.3° | 120.0° |
| C3 | C5 | H4 | H5 | 120.0° | 120.0° |
| C3 | C5 | H4 | H6 | 120.0° | 120.0° |
| C3 | C5 | H5 | H6 | 120.0° | 120.0° |
| C5 | C3 | C4 | H7 | 58.7° | 60.0° |
| C5 | C3 | C4 | H8 | 178.7° | 179.9° |
| C5 | C3 | C4 | H9 | 61.3° | 60.0° |
| C5 | C3 | C2 | H25 | 62.9° | 54.7° |
| C4 | C3 | C5 | H4 | 59.4° | 68.3° |
| C4 | C3 | C5 | H5 | 60.6° | 171.7° |
| C4 | C3 | C5 | H6 | 179.4° | 51.7° |
| C3 | C4 | H7 | H8 | 120.0° | 119.9° |
| C3 | C4 | H7 | H9 | 120.0° | 120.0° |
| C3 | C4 | H8 | H9 | 119.9° | 120.0° |
| C4 | C3 | C2 | H25 | 57.4° | 174.7° |
| H1 | C8 | H2 | H3 | 120.0° | 120.0° |
| H4 | C5 | H5 | H6 | 120.0° | 120.0° |
| H4 | C5 | C3 | H10 | 59.9° | 51.7° |
| H5 | C5 | C3 | H10 | 179.9° | 68.3° |
| H6 | C5 | C3 | H10 | 60.1° | 171.7° |
| H7 | C4 | H8 | H9 | 120.0° | 120.0° |
| H7 | C4 | C3 | H10 | 60.6° | 180.0° |
| H8 | C4 | C3 | H10 | 59.4° | 60.0° |
| H9 | C4 | C3 | H10 | 179.4° | 60.0° |
| H10 | C3 | C2 | H25 | 176.9° | 65.3° |
| H11 | C18 | C12 | H17 | 171.5° | 95.6° |
| H12 | C18 | C12 | H17 | 70.0° | 144.5° |
| H13 | C20 | C21 | H26 | 0.1° | 0.0° |
| H14 | C10 | H15 | H16 | 120.0° | 120.0° |
| H17 | C12 | N4 | H42 | 178.6° | 145.0° |
| H18 | C13 | C14 | H20 | 53.7° | 144.4° |
| H18 | C13 | C14 | H21 | 173.8° | 25.2° |
| H18 | C13 | C16 | H24 | 177.3° | 34.5° |
| H19 | C13 | C14 | H20 | 66.2° | 25.5° |
| H19 | C13 | C14 | H21 | 53.9° | 93.7° |
| H19 | C13 | C16 | H24 | 57.5° | 153.4° |
| H20 | C14 | C15 | H22 | 54.5° | 177.1° |
| H20 | C14 | C15 | H23 | 65.8° | 56.5° |
| H21 | C14 | C15 | H22 | 174.7° | 58.0° |
| H21 | C14 | C15 | H23 | 54.4° | 62.6° |
| H24 | C16 | N3 | H41 | 56.3° | 69.3° |
| H25 | C2 | N1 | H40 | 144.2° | 145.0° |
| H26 | C21 | C22 | H27 | 0.6° | 0.0° |
| H29 | C25 | C26 | H31 | 83.3° | 173.7° |
| H29 | C25 | C26 | H32 | 31.8° | 53.8° |
| H30 | C25 | C26 | H31 | 151.0° | 53.6° |
| H30 | C25 | C26 | H32 | 93.9° | 66.3° |
| H31 | C26 | C28 | H35 | 173.3° | 105.8° |
| H31 | C26 | C28 | H36 | 67.9° | 134.4° |
| H32 | C26 | C28 | H35 | 58.1° | 14.2° |
| H32 | C26 | C28 | H36 | 176.9° | 105.7° |
| H33 | C27 | C28 | H35 | 34.1° | 155.1° |
| H33 | C27 | C28 | H36 | 152.9° | 35.2° |
| H34 | C27 | C28 | H35 | 87.5° | 85.0° |
| H34 | C27 | C28 | H36 | 31.3° | 155.1° |
| H37 | C9 | H38 | H39 | 120.0° | 120.1° |
