M6L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| O2 | C6 | doub | 1.21Å | 1.21Å | |
| C26 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| O3 | C13 | doub | 1.21Å | 1.22Å | |
| C12 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C8 | sing | 1.32Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C6 | N1 | sing | 1.35Å | 1.34Å | |
| C11 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | N3 | sing | 1.46Å | 1.48Å | |
| C5 | O1 | sing | 1.43Å | 1.43Å | |
| C13 | N3 | sing | 1.35Å | 1.31Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | N1 | sing | 1.46Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C20 | O5 | sing | 1.45Å | 1.44Å | |
| O5 | C19 | sing | 1.35Å | 1.45Å | |
| N4 | C14 | sing | 1.46Å | 1.45Å | |
| N4 | C19 | sing | 1.35Å | 1.34Å | |
| C18 | C16 | sing | 1.53Å | 1.51Å | |
| C10 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C19 | O4 | doub | 1.21Å | 1.21Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H35 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C24 | H32 | sing | 1.08Å | 1.08Å | |
| C26 | H34 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.08Å | 1.08Å | |
| C25 | H33 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| O1 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C24 | 119.2° | 120.0° |
| C25 | C26 | C21 | 121.0° | 120.0° |
| C25 | C26 | H34 | 119.5° | 120.0° |
| C26 | C25 | H33 | 120.4° | 120.0° |
| C25 | C24 | C23 | 119.9° | 120.0° |
| C25 | C24 | H32 | 120.1° | 120.0° |
| C24 | C25 | H33 | 120.4° | 120.0° |
| O2 | C6 | C5 | 117.9° | 119.9° |
| O2 | C6 | N1 | 121.0° | 120.0° |
| C26 | C21 | C22 | 119.9° | 120.0° |
| C26 | C21 | C20 | 121.0° | 120.0° |
| C21 | C26 | H34 | 119.5° | 120.0° |
| C24 | C23 | C22 | 120.3° | 120.0° |
| C23 | C24 | H32 | 120.0° | 120.0° |
| C24 | C23 | H31 | 119.9° | 120.0° |
| O3 | C13 | N3 | 121.8° | 120.0° |
| O3 | C13 | C14 | 121.1° | 120.0° |
| N2 | C12 | C11 | 119.6° | 120.8° |
| C12 | N2 | C8 | 121.3° | 121.7° |
| N2 | C12 | H15 | 120.2° | 119.6° |
| C12 | C11 | C10 | 120.3° | 119.1° |
| C12 | C11 | H14 | 119.9° | 120.4° |
| C11 | C12 | H15 | 120.2° | 119.6° |
| N2 | C8 | C7 | 119.4° | 119.6° |
| N2 | C8 | C9 | 120.0° | 120.8° |
| C5 | C6 | N1 | 121.1° | 120.0° |
| C6 | C5 | C4 | 104.2° | 109.5° |
| C6 | C5 | O1 | 106.2° | 109.5° |
| C6 | C5 | H35 | 114.1° | 109.5° |
| C6 | N1 | C7 | 126.5° | 120.0° |
| C6 | N1 | H9 | 116.7° | 120.0° |
| C11 | C10 | C9 | 119.3° | 118.5° |
| C11 | C10 | H13 | 120.3° | 120.8° |
| C10 | C11 | H14 | 119.9° | 120.4° |
| C22 | C21 | C20 | 119.1° | 120.0° |
| C21 | C22 | C23 | 119.7° | 120.0° |
| C21 | C22 | H30 | 120.2° | 120.0° |
| C21 | C20 | O5 | 102.8° | 109.5° |
| C21 | C20 | H29 | 111.1° | 109.5° |
| C21 | C20 | H28 | 111.1° | 109.5° |
| C23 | C22 | H30 | 120.2° | 119.9° |
| C22 | C23 | H31 | 119.9° | 120.0° |
| C5 | C4 | C3 | 116.3° | 109.5° |
| C5 | C4 | N3 | 112.4° | 109.5° |
| C4 | C5 | O1 | 102.2° | 109.5° |
| C5 | C4 | H8 | 108.4° | 109.5° |
| C4 | C5 | H35 | 113.3° | 109.5° |
| C3 | C4 | N3 | 101.2° | 109.4° |
| C4 | C3 | C2 | 113.0° | 109.5° |
| C3 | C4 | H8 | 108.9° | 109.4° |
| C4 | C3 | H7 | 108.6° | 109.5° |
| C4 | C3 | H6 | 108.6° | 109.5° |
| C4 | N3 | C13 | 123.3° | 120.0° |
| C4 | N3 | H16 | 118.3° | 120.0° |
| N3 | C4 | H8 | 109.4° | 109.5° |
| O1 | C5 | H35 | 115.5° | 109.5° |
| C5 | O1 | H36 | 109.5° | 114.0° |
| N3 | C13 | C14 | 117.1° | 120.0° |
| C13 | N3 | H16 | 118.4° | 120.0° |
| C13 | C14 | C15 | 114.3° | 109.5° |
| C13 | C14 | N4 | 106.4° | 109.5° |
| C13 | C14 | H17 | 109.1° | 109.4° |
| C7 | C8 | C9 | 120.6° | 119.6° |
| C8 | C7 | N1 | 108.8° | 109.5° |
| C8 | C7 | H11 | 109.7° | 109.5° |
| C8 | C7 | H10 | 109.6° | 109.4° |
| C8 | C9 | C10 | 119.5° | 119.1° |
| C8 | C9 | H12 | 120.3° | 120.4° |
| C7 | N1 | H9 | 116.7° | 120.0° |
| N1 | C7 | H11 | 109.6° | 109.5° |
| N1 | C7 | H10 | 109.6° | 109.5° |
| C1 | C2 | C3 | 111.2° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H5 | 109.0° | 109.5° |
| C1 | C2 | H4 | 109.1° | 109.5° |
| C14 | C15 | C16 | 111.1° | 109.5° |
| C15 | C14 | N4 | 108.9° | 109.5° |
| C14 | C15 | H19 | 109.1° | 109.4° |
| C14 | C15 | H18 | 109.1° | 109.5° |
| C15 | C14 | H17 | 108.4° | 109.5° |
| C15 | C16 | C18 | 110.9° | 109.5° |
| C15 | C16 | C17 | 110.9° | 109.5° |
| C16 | C15 | H19 | 109.1° | 109.5° |
| C16 | C15 | H18 | 109.0° | 109.5° |
| C15 | C16 | H20 | 108.3° | 109.5° |
| C20 | O5 | C19 | 121.0° | 117.0° |
| O5 | C20 | H29 | 111.1° | 109.5° |
| O5 | C20 | H28 | 111.1° | 109.5° |
| O5 | C19 | N4 | 116.0° | 120.0° |
| O5 | C19 | O4 | 121.2° | 120.0° |
| C14 | N4 | C19 | 120.5° | 120.0° |
| N4 | C14 | H17 | 109.8° | 109.5° |
| C14 | N4 | H27 | 119.7° | 120.0° |
| N4 | C19 | O4 | 122.8° | 120.0° |
| C19 | N4 | H27 | 119.8° | 120.0° |
| C18 | C16 | C17 | 110.1° | 109.5° |
| C18 | C16 | H20 | 108.4° | 109.4° |
| C16 | C18 | H25 | 109.5° | 109.5° |
| C16 | C18 | H26 | 109.5° | 109.5° |
| C16 | C18 | H24 | 109.5° | 109.5° |
| C9 | C10 | H13 | 120.3° | 120.8° |
| C10 | C9 | H12 | 120.2° | 120.4° |
| C3 | C2 | H5 | 109.0° | 109.5° |
| C3 | C2 | H4 | 109.0° | 109.5° |
| C2 | C3 | H7 | 108.6° | 109.5° |
| C2 | C3 | H6 | 108.6° | 109.5° |
| C16 | C17 | H23 | 109.5° | 109.5° |
| C16 | C17 | H22 | 109.5° | 109.5° |
| C16 | C17 | H21 | 109.5° | 109.5° |
| C17 | C16 | H20 | 108.2° | 109.5° |
| H11 | C7 | H10 | 109.5° | 109.5° |
| H19 | C15 | H18 | 109.5° | 109.5° |
| H23 | C17 | H22 | 109.4° | 109.4° |
| H23 | C17 | H21 | 109.5° | 109.4° |
| H22 | C17 | H21 | 109.5° | 109.5° |
| H29 | C20 | H28 | 109.5° | 109.4° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H24 | 109.5° | 109.5° |
| H26 | C18 | H24 | 109.4° | 109.5° |
| H5 | C2 | H4 | 109.5° | 109.4° |
| H7 | C3 | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C24 | H33 | 180.0° | 179.4° |
| C25 | C26 | C21 | H34 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.5° | 0.9° |
| C25 | C26 | C21 | C22 | 0.1° | 0.0° |
| C25 | C26 | C21 | C20 | 178.5° | 179.7° |
| C26 | C25 | C24 | H32 | 179.4° | 179.7° |
| C24 | C25 | C26 | C21 | 0.4° | 0.6° |
| C25 | C24 | C23 | H32 | 180.0° | 179.4° |
| C25 | C24 | C23 | C22 | 0.2° | 0.6° |
| C24 | C25 | C26 | H34 | 179.6° | 179.5° |
| C25 | C24 | C23 | H31 | 179.8° | 180.0° |
| O2 | C6 | C5 | N1 | 176.7° | 180.0° |
| O2 | C6 | C5 | C4 | 69.4° | 115.0° |
| O2 | C6 | C5 | O1 | 176.9° | 5.0° |
| O2 | C6 | N1 | C7 | 0.6° | 0.3° |
| O2 | C6 | N1 | H9 | 179.4° | 180.0° |
| O2 | C6 | C5 | H35 | 54.7° | 125.0° |
| C26 | C21 | C22 | C20 | 178.4° | 179.7° |
| C26 | C21 | C22 | C23 | 0.5° | 0.3° |
| C26 | C21 | C20 | O5 | 49.5° | 90.3° |
| C26 | C21 | C20 | H29 | 69.4° | 29.7° |
| C26 | C21 | C20 | H28 | 168.4° | 149.7° |
| C26 | C21 | C22 | H30 | 179.5° | 179.7° |
| C21 | C26 | C25 | H33 | 179.6° | 180.0° |
| C24 | C23 | C22 | C21 | 0.3° | 0.0° |
| C24 | C23 | C22 | H31 | 180.0° | 179.4° |
| C24 | C23 | C22 | H30 | 179.7° | 180.0° |
| C23 | C24 | C25 | H33 | 179.5° | 179.7° |
| O3 | C13 | N3 | C4 | 15.8° | 0.0° |
| O3 | C13 | N3 | C14 | 177.6° | 179.9° |
| O3 | C13 | C14 | C15 | 82.3° | 119.9° |
| O3 | C13 | C14 | N4 | 38.0° | 0.1° |
| O3 | C13 | N3 | H16 | 164.2° | 180.0° |
| O3 | C13 | C14 | H17 | 156.3° | 120.1° |
| N2 | C12 | C11 | H15 | 180.0° | 180.0° |
| N2 | C12 | C11 | C10 | 0.6° | 0.3° |
| C12 | N2 | C8 | C7 | 178.4° | 180.0° |
| C12 | N2 | C8 | C9 | 1.2° | 0.3° |
| N2 | C12 | C11 | H14 | 179.4° | 180.0° |
| C11 | C12 | N2 | C8 | 0.4° | 0.0° |
| C12 | C11 | C10 | H14 | 180.0° | 179.7° |
| C12 | C11 | C10 | C9 | 0.8° | 0.3° |
| C12 | C11 | C10 | H13 | 179.2° | 179.8° |
| N2 | C8 | C7 | C9 | 177.1° | 179.7° |
| N2 | C8 | C7 | N1 | 146.6° | 85.2° |
| N2 | C8 | C9 | C10 | 1.0° | 0.3° |
| N2 | C8 | C7 | H11 | 26.7° | 154.7° |
| N2 | C8 | C7 | H10 | 93.5° | 34.7° |
| C8 | N2 | C12 | H15 | 179.6° | 180.0° |
| N2 | C8 | C9 | H12 | 178.9° | 179.8° |
| C6 | C5 | C4 | O1 | 110.5° | 120.1° |
| C6 | C5 | C4 | H35 | 124.6° | 120.0° |
| C6 | C5 | C4 | C3 | 46.0° | 65.0° |
| C6 | C5 | C4 | N3 | 161.9° | 175.0° |
| C6 | C5 | O1 | H35 | 127.7° | 120.0° |
| C5 | C6 | N1 | C7 | 176.0° | 179.7° |
| C5 | C6 | N1 | H9 | 4.0° | 0.0° |
| C6 | C5 | C4 | H8 | 77.1° | 55.0° |
| C6 | C5 | O1 | H36 | 180.0° | 60.0° |
| N1 | C6 | C5 | C4 | 113.9° | 65.0° |
| N1 | C6 | C5 | O1 | 6.4° | 175.0° |
| C6 | N1 | C7 | C8 | 70.9° | 179.7° |
| C6 | N1 | C7 | H9 | 180.0° | 179.7° |
| N1 | C6 | C5 | H35 | 122.1° | 55.0° |
| C6 | N1 | C7 | H11 | 49.0° | 60.3° |
| C6 | N1 | C7 | H10 | 169.2° | 59.7° |
| C11 | C10 | C9 | C8 | 0.0° | 0.0° |
| C11 | C10 | C9 | H13 | 180.0° | 180.0° |
| C10 | C11 | C12 | H15 | 179.4° | 179.7° |
| C11 | C10 | C9 | H12 | 179.9° | 179.9° |
| C21 | C22 | C23 | H30 | 180.0° | 180.0° |
| C22 | C21 | C20 | O5 | 128.9° | 90.0° |
| C22 | C21 | C20 | H29 | 112.2° | 150.0° |
| C22 | C21 | C20 | H28 | 10.0° | 30.0° |
| C22 | C21 | C26 | H34 | 179.9° | 179.9° |
| C21 | C22 | C23 | H31 | 179.7° | 179.4° |
| C20 | C21 | C22 | C23 | 178.8° | 180.0° |
| C21 | C20 | O5 | H29 | 118.9° | 120.0° |
| C21 | C20 | O5 | H28 | 118.9° | 120.1° |
| C21 | C20 | O5 | C19 | 175.2° | 179.9° |
| C21 | C20 | H29 | H28 | 123.1° | 120.0° |
| C20 | C21 | C22 | H30 | 1.1° | 0.0° |
| C20 | C21 | C26 | H34 | 1.5° | 0.2° |
| C22 | C23 | C24 | H32 | 179.8° | 180.0° |
| C5 | C4 | C3 | N3 | 122.0° | 120.0° |
| C5 | C4 | C3 | H8 | 122.8° | 120.0° |
| C5 | C4 | N3 | H8 | 120.4° | 120.1° |
| C4 | C5 | O1 | H35 | 123.4° | 120.0° |
| C5 | C4 | N3 | C13 | 114.9° | 155.0° |
| C5 | C4 | C3 | C2 | 164.3° | 175.0° |
| C5 | C4 | N3 | H16 | 65.1° | 25.0° |
| C5 | C4 | C3 | H7 | 43.8° | 65.0° |
| C5 | C4 | C3 | H6 | 75.2° | 55.0° |
| C4 | C5 | O1 | H36 | 71.1° | 60.0° |
| C3 | C4 | N3 | H8 | 114.8° | 119.9° |
| C3 | C4 | C5 | O1 | 64.5° | 55.0° |
| C3 | C4 | N3 | C13 | 120.3° | 85.0° |
| C4 | C3 | C2 | C1 | 128.2° | 180.0° |
| C4 | C3 | C2 | H7 | 120.5° | 120.0° |
| C4 | C3 | C2 | H6 | 120.5° | 120.0° |
| C3 | C4 | N3 | H16 | 59.7° | 95.1° |
| C3 | C4 | C5 | H35 | 170.6° | 175.0° |
| C4 | C3 | C2 | H5 | 111.5° | 60.0° |
| C4 | C3 | C2 | H4 | 8.0° | 60.0° |
| C4 | C3 | H7 | H6 | 118.4° | 120.0° |
| N3 | C4 | C5 | O1 | 51.4° | 65.0° |
| C4 | N3 | C13 | H16 | 180.0° | 180.0° |
| C4 | N3 | C13 | C14 | 161.7° | 179.9° |
| N3 | C4 | C3 | C2 | 42.3° | 64.9° |
| N3 | C4 | C5 | H35 | 73.5° | 55.0° |
| N3 | C4 | C3 | H7 | 78.2° | 55.1° |
| N3 | C4 | C3 | H6 | 162.8° | 175.0° |
| O1 | C5 | C4 | H8 | 172.4° | 175.0° |
| N3 | C13 | C14 | C15 | 95.3° | 60.0° |
| N3 | C13 | C14 | N4 | 144.4° | 180.0° |
| C13 | N3 | C4 | H8 | 5.5° | 34.9° |
| N3 | C13 | C14 | H17 | 26.1° | 60.0° |
| C13 | C14 | C15 | N4 | 118.9° | 120.0° |
| C13 | C14 | C15 | H17 | 121.8° | 120.0° |
| C13 | C14 | C15 | C16 | 173.1° | 175.0° |
| C13 | C14 | N4 | H17 | 117.9° | 120.0° |
| C13 | C14 | N4 | C19 | 68.2° | 154.9° |
| C14 | C13 | N3 | H16 | 18.2° | 0.0° |
| C13 | C14 | C15 | H19 | 52.8° | 65.0° |
| C13 | C14 | C15 | H18 | 66.7° | 55.0° |
| C13 | C14 | N4 | H27 | 111.8° | 25.0° |
| C8 | C7 | N1 | H11 | 119.9° | 120.0° |
| C8 | C7 | N1 | H10 | 119.9° | 120.0° |
| C7 | C8 | C9 | C10 | 178.1° | 180.0° |
| C8 | C7 | N1 | H9 | 109.1° | 0.1° |
| C8 | C7 | H11 | H10 | 120.3° | 120.0° |
| C7 | C8 | C9 | H12 | 1.8° | 0.1° |
| C9 | C8 | C7 | N1 | 30.6° | 95.0° |
| C8 | C9 | C10 | H12 | 180.0° | 179.9° |
| C9 | C8 | C7 | H11 | 150.5° | 25.0° |
| C9 | C8 | C7 | H10 | 89.3° | 145.0° |
| C8 | C9 | C10 | H13 | 179.9° | 180.0° |
| N1 | C7 | H11 | H10 | 120.3° | 120.0° |
| C1 | C2 | C3 | H5 | 120.2° | 120.0° |
| C1 | C2 | C3 | H4 | 120.3° | 120.0° |
| C2 | C1 | H2 | H1 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C1 | C2 | H5 | H4 | 119.3° | 120.0° |
| C1 | C2 | C3 | H7 | 111.2° | 60.0° |
| C1 | C2 | C3 | H6 | 7.7° | 60.0° |
| C14 | C15 | C16 | H19 | 120.3° | 120.0° |
| C14 | C15 | C16 | H18 | 120.2° | 120.0° |
| C15 | C14 | N4 | H17 | 118.5° | 120.0° |
| C15 | C14 | N4 | C19 | 168.1° | 85.0° |
| C14 | C15 | C16 | C18 | 170.6° | 65.0° |
| C14 | C15 | C16 | C17 | 66.7° | 175.0° |
| C14 | C15 | H19 | H18 | 119.3° | 120.0° |
| C14 | C15 | C16 | H20 | 51.8° | 55.0° |
| C15 | C14 | N4 | H27 | 11.9° | 95.0° |
| C16 | C15 | C14 | N4 | 54.2° | 65.0° |
| C15 | C16 | C18 | C17 | 123.1° | 120.0° |
| C15 | C16 | C18 | H20 | 118.8° | 120.0° |
| C15 | C16 | C17 | H20 | 118.6° | 120.0° |
| C16 | C15 | H19 | H18 | 119.2° | 120.0° |
| C15 | C16 | C17 | H23 | 180.0° | 60.0° |
| C15 | C16 | C17 | H22 | 60.0° | 180.0° |
| C15 | C16 | C17 | H21 | 60.0° | 59.9° |
| C16 | C15 | C14 | H17 | 65.1° | 55.0° |
| C15 | C16 | C18 | H25 | 180.0° | 60.0° |
| C15 | C16 | C18 | H26 | 60.0° | 180.0° |
| C15 | C16 | C18 | H24 | 60.0° | 60.0° |
| C20 | O5 | C19 | N4 | 156.6° | 180.0° |
| C20 | O5 | C19 | O4 | 24.1° | 0.0° |
| O5 | C20 | H29 | H28 | 123.1° | 120.0° |
| O5 | C19 | N4 | C14 | 175.6° | 180.0° |
| O5 | C19 | N4 | O4 | 179.3° | 179.9° |
| C19 | O5 | C20 | H29 | 56.2° | 59.9° |
| C19 | O5 | C20 | H28 | 65.9° | 60.0° |
| O5 | C19 | N4 | H27 | 4.4° | 0.1° |
| C14 | N4 | C19 | H27 | 180.0° | 179.9° |
| C14 | N4 | C19 | O4 | 5.1° | 0.0° |
| N4 | C14 | C15 | H19 | 66.1° | 55.0° |
| N4 | C14 | C15 | H18 | 174.4° | 175.0° |
| C19 | N4 | C14 | H17 | 49.7° | 35.0° |
| C18 | C16 | C17 | H20 | 118.3° | 119.9° |
| C18 | C16 | C15 | H19 | 50.3° | 175.0° |
| C18 | C16 | C15 | H18 | 69.1° | 55.0° |
| C18 | C16 | C17 | H23 | 56.9° | 60.0° |
| C18 | C16 | C17 | H22 | 63.1° | 59.9° |
| C18 | C16 | C17 | H21 | 176.9° | 180.0° |
| C16 | C18 | H25 | H26 | 120.0° | 120.0° |
| C16 | C18 | H25 | H24 | 120.0° | 120.0° |
| C16 | C18 | H26 | H24 | 120.0° | 120.0° |
| C9 | C10 | C11 | H14 | 179.2° | 180.0° |
| C2 | C3 | C4 | H8 | 72.9° | 55.0° |
| C3 | C2 | C1 | H2 | 180.0° | 60.0° |
| C3 | C2 | C1 | H1 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C3 | C2 | H5 | H4 | 119.2° | 120.0° |
| C2 | C3 | H7 | H6 | 118.4° | 120.0° |
| O4 | C19 | N4 | H27 | 174.9° | 180.0° |
| C17 | C16 | C15 | H19 | 173.0° | 55.0° |
| C17 | C16 | C15 | H18 | 53.5° | 65.0° |
| C16 | C17 | H23 | H22 | 120.0° | 120.0° |
| C16 | C17 | H23 | H21 | 120.0° | 120.0° |
| C16 | C17 | H22 | H21 | 120.0° | 120.0° |
| C17 | C16 | C18 | H25 | 56.9° | 180.0° |
| C17 | C16 | C18 | H26 | 176.9° | 60.0° |
| C17 | C16 | C18 | H24 | 63.1° | 60.0° |
| H9 | N1 | C7 | H11 | 131.0° | 120.0° |
| H9 | N1 | C7 | H10 | 10.8° | 120.0° |
| H16 | N3 | C4 | H8 | 174.5° | 145.0° |
| H8 | C4 | C5 | H35 | 47.5° | 65.0° |
| H8 | C4 | C3 | H7 | 166.6° | 175.0° |
| H8 | C4 | C3 | H6 | 47.6° | 65.1° |
| H35 | C5 | O1 | H36 | 52.3° | 180.0° |
| H13 | C10 | C11 | H14 | 0.8° | 0.1° |
| H13 | C10 | C9 | H12 | 0.1° | 0.0° |
| H19 | C15 | C14 | H17 | 174.6° | 175.0° |
| H19 | C15 | C16 | H20 | 68.5° | 65.0° |
| H18 | C15 | C14 | H17 | 55.1° | 65.0° |
| H18 | C15 | C16 | H20 | 172.0° | 175.0° |
| H23 | C17 | H22 | H21 | 120.0° | 120.0° |
| H23 | C17 | C16 | H20 | 61.4° | 180.0° |
| H22 | C17 | C16 | H20 | 178.6° | 60.0° |
| H21 | C17 | C16 | H20 | 58.6° | 60.1° |
| H30 | C22 | C23 | H31 | 0.3° | 0.6° |
| H32 | C24 | C23 | H31 | 0.2° | 0.6° |
| H32 | C24 | C25 | H33 | 0.5° | 0.3° |
| H34 | C26 | C25 | H33 | 0.4° | 0.0° |
| H2 | C1 | H1 | H3 | 119.9° | 119.9° |
| H2 | C1 | C2 | H5 | 59.8° | 60.0° |
| H2 | C1 | C2 | H4 | 59.8° | 179.9° |
| H1 | C1 | C2 | H5 | 60.3° | 180.0° |
| H1 | C1 | C2 | H4 | 179.8° | 60.1° |
| H3 | C1 | C2 | H5 | 179.8° | 59.9° |
| H3 | C1 | C2 | H4 | 60.3° | 60.0° |
| H14 | C11 | C12 | H15 | 0.6° | 0.0° |
| H17 | C14 | N4 | H27 | 130.3° | 145.0° |
| H20 | C16 | C18 | H25 | 61.2° | 60.0° |
| H20 | C16 | C18 | H26 | 58.8° | 60.0° |
| H20 | C16 | C18 | H24 | 178.7° | 180.0° |
| H25 | C18 | H26 | H24 | 120.0° | 120.0° |
| H5 | C2 | C3 | H7 | 9.0° | 60.1° |
| H5 | C2 | C3 | H6 | 128.0° | NaN° |
| H4 | C2 | C3 | H7 | 128.5° | NaN° |
| H4 | C2 | C3 | H6 | 112.6° | 60.1° |
