61U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | O2 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| O2 | C19 | sing | 1.43Å | 1.44Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C21 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C18 | sing | 1.47Å | 1.47Å | |
| N4 | C17 | sing | 1.39Å | 1.40Å | |
| N2 | C13 | doub | 1.31Å | 1.30Å | Aromatic |
| N2 | C14 | sing | 1.33Å | 1.33Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| N3 | C15 | sing | 1.39Å | 1.41Å | |
| N3 | C14 | sing | 1.39Å | 1.40Å | |
| C13 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.41Å | 1.40Å | Aromatic |
| C12 | C27 | sing | 1.42Å | 1.42Å | Aromatic |
| C22 | C25 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | F | sing | 1.35Å | 1.35Å | |
| C11 | C10 | sing | 1.37Å | 1.36Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.41Å | Aromatic |
| C25 | N5 | trip | 1.14Å | 1.13Å | |
| C27 | N6 | doub | 1.33Å | 1.34Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| N6 | C9 | sing | 1.31Å | 1.32Å | Aromatic |
| C9 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | O1 | sing | 1.43Å | 1.44Å | |
| C7 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| O1 | H25 | sing | 0.97Å | 0.95Å | |
| C11 | H26 | sing | 1.08Å | 1.08Å | |
| C16 | H27 | sing | 1.08Å | 1.08Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C20 | C21 | 107.1° | 109.2° |
| C20 | O2 | C19 | 115.6° | 113.8° |
| O2 | C20 | H13 | 110.1° | 109.5° |
| O2 | C20 | H14 | 110.1° | 109.5° |
| C20 | C21 | N4 | 106.5° | 109.3° |
| C21 | C20 | H13 | 110.1° | 109.5° |
| C21 | C20 | H14 | 110.1° | 109.5° |
| C20 | C21 | H15 | 110.2° | 109.5° |
| C20 | C21 | H16 | 110.2° | 109.5° |
| O2 | C19 | C18 | 111.1° | 109.2° |
| O2 | C19 | H30 | 109.1° | 109.5° |
| O2 | C19 | H31 | 109.1° | 109.6° |
| C19 | C18 | N4 | 107.1° | 109.3° |
| C19 | C18 | H28 | 110.0° | 109.5° |
| C19 | C18 | H29 | 110.0° | 109.6° |
| C18 | C19 | H30 | 109.1° | 109.5° |
| C18 | C19 | H31 | 109.0° | 109.5° |
| C21 | N4 | C18 | 110.3° | 110.7° |
| C21 | N4 | C17 | 114.3° | 111.0° |
| N4 | C21 | H15 | 110.2° | 109.5° |
| N4 | C21 | H16 | 110.2° | 109.5° |
| C18 | N4 | C17 | 119.0° | 111.0° |
| N4 | C18 | H28 | 110.0° | 109.5° |
| N4 | C18 | H29 | 110.1° | 109.5° |
| N4 | C17 | C16 | 118.3° | 120.1° |
| N4 | C17 | C22 | 123.2° | 120.1° |
| C13 | N2 | C14 | 123.3° | 122.6° |
| N2 | C13 | C12 | 120.2° | 120.1° |
| N2 | C13 | H12 | 119.9° | 120.0° |
| N2 | C14 | N3 | 114.6° | 119.2° |
| N2 | C14 | C26 | 120.6° | 121.6° |
| C17 | C16 | C15 | 121.9° | 120.1° |
| C16 | C17 | C22 | 118.4° | 119.7° |
| C17 | C16 | H27 | 119.0° | 120.0° |
| C16 | C15 | N3 | 114.9° | 119.9° |
| C16 | C15 | C24 | 118.7° | 120.3° |
| C15 | C16 | H27 | 119.0° | 120.0° |
| C15 | N3 | C14 | 127.2° | 120.0° |
| N3 | C15 | C24 | 126.4° | 119.9° |
| C15 | N3 | H2 | 116.4° | 120.0° |
| N3 | C14 | C26 | 124.8° | 119.2° |
| C14 | N3 | H2 | 116.4° | 120.0° |
| C13 | C12 | C11 | 120.5° | 122.0° |
| C13 | C12 | C27 | 119.7° | 119.1° |
| C12 | C13 | H12 | 119.9° | 119.9° |
| C17 | C22 | C25 | 122.3° | 120.1° |
| C17 | C22 | C23 | 119.8° | 119.7° |
| C15 | C24 | C23 | 120.0° | 120.2° |
| C15 | C24 | F | 124.1° | 119.9° |
| C14 | C26 | C27 | 119.0° | 118.6° |
| C14 | C26 | H17 | 120.5° | 120.7° |
| C11 | C12 | C27 | 119.8° | 119.0° |
| C12 | C11 | C10 | 118.6° | 118.0° |
| C12 | C11 | H26 | 120.7° | 121.0° |
| C12 | C27 | C26 | 117.1° | 118.1° |
| C12 | C27 | N6 | 119.2° | 120.1° |
| C25 | C22 | C23 | 117.9° | 120.2° |
| C22 | C25 | N5 | 179.0° | 179.9° |
| C22 | C23 | C24 | 121.2° | 120.0° |
| C22 | C23 | H32 | 119.4° | 120.0° |
| C23 | C24 | F | 115.9° | 119.9° |
| C24 | C23 | H32 | 119.4° | 120.0° |
| C11 | C10 | C9 | 119.2° | 120.1° |
| C11 | C10 | H11 | 120.4° | 119.9° |
| C10 | C11 | H26 | 120.7° | 121.0° |
| C26 | C27 | N6 | 123.7° | 121.9° |
| C27 | C26 | H17 | 120.5° | 120.7° |
| C27 | N6 | C9 | 120.7° | 121.1° |
| C10 | C9 | N6 | 122.6° | 121.8° |
| C10 | C9 | C7 | 117.6° | 119.1° |
| C9 | C10 | H11 | 120.4° | 120.0° |
| N6 | C9 | C7 | 119.8° | 119.1° |
| C9 | C7 | C8 | 108.5° | 109.5° |
| C9 | C7 | O1 | 108.1° | 109.5° |
| C9 | C7 | C4 | 108.1° | 109.5° |
| C8 | C7 | O1 | 109.4° | 109.5° |
| C8 | C7 | C4 | 113.1° | 109.4° |
| C7 | C8 | H8 | 109.5° | 109.4° |
| C7 | C8 | H9 | 109.5° | 109.5° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| O1 | C7 | C4 | 109.6° | 109.5° |
| C7 | O1 | H25 | 109.5° | 114.0° |
| C7 | C4 | C3 | 110.1° | 109.6° |
| C7 | C4 | C5 | 113.0° | 109.5° |
| C7 | C4 | H3 | 108.8° | 109.5° |
| C4 | C3 | C2 | 110.2° | 109.3° |
| C3 | C4 | C5 | 106.9° | 109.1° |
| C3 | C4 | H3 | 108.9° | 109.6° |
| C4 | C3 | H23 | 109.3° | 109.5° |
| C4 | C3 | H24 | 109.3° | 109.5° |
| C3 | C2 | N1 | 110.5° | 109.6° |
| C3 | C2 | H21 | 109.2° | 109.5° |
| C3 | C2 | H22 | 109.2° | 109.5° |
| C2 | C3 | H23 | 109.3° | 109.5° |
| C2 | C3 | H24 | 109.3° | 109.5° |
| C4 | C5 | C6 | 108.6° | 109.3° |
| C5 | C4 | H3 | 109.0° | 109.5° |
| C4 | C5 | H4 | 109.7° | 109.6° |
| C4 | C5 | H5 | 109.7° | 109.5° |
| C2 | N1 | C6 | 110.4° | 111.2° |
| C2 | N1 | C1 | 111.1° | 111.0° |
| N1 | C2 | H21 | 109.2° | 109.5° |
| N1 | C2 | H22 | 109.2° | 109.4° |
| C5 | C6 | N1 | 108.5° | 109.5° |
| C6 | C5 | H4 | 109.7° | 109.5° |
| C6 | C5 | H5 | 109.7° | 109.5° |
| C5 | C6 | H6 | 109.7° | 109.5° |
| C5 | C6 | H7 | 109.7° | 109.5° |
| C6 | N1 | C1 | 109.4° | 111.0° |
| N1 | C6 | H6 | 109.7° | 109.4° |
| N1 | C6 | H7 | 109.7° | 109.4° |
| N1 | C1 | H18 | 109.5° | 109.4° |
| N1 | C1 | H19 | 109.5° | 109.5° |
| N1 | C1 | H20 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.4° | 109.5° |
| H6 | C6 | H7 | 109.4° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.4° |
| H8 | C8 | H10 | 109.4° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.6° |
| H15 | C21 | H16 | 109.5° | 109.6° |
| H18 | C1 | H19 | 109.4° | 109.5° |
| H18 | C1 | H20 | 109.5° | 109.5° |
| H19 | C1 | H20 | 109.4° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.4° |
| H23 | C3 | H24 | 109.4° | 109.5° |
| H28 | C18 | H29 | 109.5° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C20 | C21 | H13 | 119.6° | 119.9° |
| O2 | C20 | C21 | H14 | 119.6° | 119.9° |
| C20 | O2 | C19 | C18 | 53.4° | 58.7° |
| O2 | C20 | C21 | N4 | 62.2° | 56.9° |
| O2 | C20 | H13 | H14 | 121.1° | 120.1° |
| O2 | C20 | C21 | H15 | 57.4° | 63.1° |
| O2 | C20 | C21 | H16 | 178.3° | 176.8° |
| C20 | O2 | C19 | H30 | 66.9° | 178.6° |
| C20 | O2 | C19 | H31 | 173.6° | 61.2° |
| C21 | C20 | O2 | C19 | 57.6° | 58.7° |
| C20 | C21 | N4 | H15 | 119.5° | 120.0° |
| C20 | C21 | N4 | H16 | 119.5° | 119.9° |
| C20 | C21 | N4 | C18 | 68.0° | 58.6° |
| C20 | C21 | N4 | C17 | 154.8° | 177.6° |
| C21 | C20 | H13 | H14 | 121.1° | 120.2° |
| C20 | C21 | H15 | H16 | 121.4° | 120.1° |
| O2 | C19 | C18 | H30 | 120.3° | 119.9° |
| O2 | C19 | C18 | H31 | 120.2° | 120.0° |
| O2 | C19 | C18 | N4 | 52.1° | 56.9° |
| C19 | O2 | C20 | H13 | 177.3° | 61.2° |
| C19 | O2 | C20 | H14 | 62.0° | 178.6° |
| O2 | C19 | C18 | H28 | 171.7° | 63.1° |
| O2 | C19 | C18 | H29 | 67.5° | 176.9° |
| O2 | C19 | H30 | H31 | 119.3° | 120.2° |
| C19 | C18 | N4 | C21 | 61.7° | 58.6° |
| C19 | C18 | N4 | H28 | 119.6° | 119.9° |
| C19 | C18 | N4 | H29 | 119.6° | 120.0° |
| C19 | C18 | N4 | C17 | 163.4° | 177.6° |
| C19 | C18 | H28 | H29 | 121.1° | 120.1° |
| C18 | C19 | H30 | H31 | 119.2° | 120.1° |
| C21 | N4 | C18 | C17 | 134.9° | 123.8° |
| C21 | N4 | C17 | C16 | 121.0° | 57.2° |
| C21 | N4 | C17 | C22 | 56.9° | 123.0° |
| N4 | C21 | C20 | H13 | 178.2° | 63.0° |
| N4 | C21 | C20 | H14 | 57.4° | 176.8° |
| N4 | C21 | H15 | H16 | 121.4° | 120.1° |
| C21 | N4 | C18 | H28 | 178.6° | 61.3° |
| C21 | N4 | C18 | H29 | 57.9° | 178.6° |
| C18 | N4 | C17 | C16 | 105.8° | 66.4° |
| C18 | N4 | C17 | C22 | 76.3° | 113.3° |
| C18 | N4 | C21 | H15 | 51.5° | 61.4° |
| C18 | N4 | C21 | H16 | 172.5° | 178.5° |
| N4 | C18 | H28 | H29 | 121.1° | 120.1° |
| N4 | C18 | C19 | H30 | 68.1° | 176.8° |
| N4 | C18 | C19 | H31 | 172.4° | 63.1° |
| N4 | C17 | C16 | C22 | 178.0° | 179.7° |
| N4 | C17 | C16 | C15 | 178.8° | 179.8° |
| N4 | C17 | C22 | C25 | 1.9° | 0.3° |
| N4 | C17 | C22 | C23 | 178.4° | 180.0° |
| C17 | N4 | C21 | H15 | 85.6° | 62.4° |
| C17 | N4 | C21 | H16 | 35.3° | 57.7° |
| N4 | C17 | C16 | H27 | 1.2° | 0.3° |
| C17 | N4 | C18 | H28 | 43.8° | 62.5° |
| C17 | N4 | C18 | H29 | 77.0° | 57.5° |
| C13 | N2 | C14 | N3 | 179.0° | 179.9° |
| N2 | C13 | C12 | H12 | 180.0° | 179.9° |
| C13 | N2 | C14 | C26 | 0.4° | 0.0° |
| N2 | C13 | C12 | C11 | 178.3° | 180.0° |
| N2 | C13 | C12 | C27 | 1.6° | 0.1° |
| N2 | C14 | N3 | C15 | 150.3° | 6.7° |
| N2 | C14 | N3 | C26 | 179.4° | 179.9° |
| C14 | N2 | C13 | C12 | 2.0° | 0.0° |
| N2 | C14 | C26 | C27 | 1.5° | 0.1° |
| N2 | C14 | N3 | H2 | 29.7° | 173.4° |
| C14 | N2 | C13 | H12 | 178.1° | 180.0° |
| N2 | C14 | C26 | H17 | 178.6° | 180.0° |
| C17 | C16 | C15 | H27 | 180.0° | 180.0° |
| C17 | C16 | C15 | N3 | 179.2° | 180.0° |
| C17 | C16 | C15 | C24 | 1.1° | 0.2° |
| C16 | C17 | C22 | C25 | 179.7° | 180.0° |
| C16 | C17 | C22 | C23 | 0.5° | 0.3° |
| C16 | C15 | N3 | C24 | 179.6° | 179.8° |
| C16 | C15 | N3 | C14 | 155.0° | 43.1° |
| C15 | C16 | C17 | C22 | 0.9° | 0.0° |
| C16 | C15 | C24 | C23 | 1.0° | 0.2° |
| C16 | C15 | C24 | F | 179.4° | 179.8° |
| C16 | C15 | N3 | H2 | 25.0° | 137.0° |
| C15 | N3 | C14 | H2 | 180.0° | 179.9° |
| C15 | N3 | C14 | C26 | 30.2° | 173.5° |
| N3 | C15 | C24 | C23 | 179.4° | 180.0° |
| N3 | C15 | C24 | F | 0.2° | 0.0° |
| N3 | C15 | C16 | H27 | 0.8° | 0.0° |
| C14 | N3 | C15 | C24 | 25.4° | 137.1° |
| N3 | C14 | C26 | C27 | 179.1° | 180.0° |
| N3 | C14 | C26 | H17 | 0.8° | 0.1° |
| C13 | C12 | C11 | C27 | 179.9° | 179.9° |
| C13 | C12 | C11 | C10 | 178.8° | 180.0° |
| C13 | C12 | C27 | C26 | 0.3° | 0.1° |
| C13 | C12 | C27 | N6 | 180.0° | 179.8° |
| C13 | C12 | C11 | H26 | 1.2° | 0.1° |
| C17 | C22 | C25 | C23 | 179.8° | 179.7° |
| C17 | C22 | C23 | C24 | 0.4° | 0.3° |
| C17 | C22 | C25 | N5 | 165.8° | 170.8° |
| C22 | C17 | C16 | H27 | 179.1° | 180.0° |
| C17 | C22 | C23 | H32 | 179.6° | 180.0° |
| C15 | C24 | C23 | C22 | 0.6° | 0.0° |
| C15 | C24 | C23 | F | 179.6° | 180.0° |
| C24 | C15 | N3 | H2 | 154.6° | 42.8° |
| C24 | C15 | C16 | H27 | 178.9° | 179.7° |
| C15 | C24 | C23 | H32 | 179.4° | 179.7° |
| C14 | C26 | C27 | C12 | 1.7° | 0.0° |
| C14 | C26 | C27 | H17 | 180.0° | 180.0° |
| C14 | C26 | C27 | N6 | 178.6° | 179.7° |
| C26 | C14 | N3 | H2 | 149.8° | 6.5° |
| C12 | C11 | C10 | H26 | 180.0° | 179.9° |
| C11 | C12 | C27 | C26 | 179.8° | 180.0° |
| C11 | C12 | C27 | N6 | 0.1° | 0.3° |
| C12 | C11 | C10 | C9 | 1.3° | 0.1° |
| C12 | C11 | C10 | H11 | 178.7° | 179.8° |
| C11 | C12 | C13 | H12 | 1.6° | 0.1° |
| C27 | C12 | C11 | C10 | 1.1° | 0.1° |
| C12 | C27 | C26 | N6 | 179.7° | 179.7° |
| C12 | C27 | N6 | C9 | 1.1° | 0.5° |
| C27 | C12 | C13 | H12 | 178.5° | 180.0° |
| C12 | C27 | C26 | H17 | 178.3° | 180.0° |
| C27 | C12 | C11 | H26 | 178.9° | 180.0° |
| C25 | C22 | C23 | C24 | 179.8° | 180.0° |
| C25 | C22 | C23 | H32 | 0.2° | 0.4° |
| C22 | C23 | C24 | H32 | 180.0° | 179.6° |
| C22 | C23 | C24 | F | 179.7° | 180.0° |
| C23 | C22 | C25 | N5 | 14.4° | 9.5° |
| F | C24 | C23 | H32 | 0.3° | 0.3° |
| C11 | C10 | C9 | H11 | 180.0° | 179.7° |
| C11 | C10 | C9 | N6 | 0.3° | 0.3° |
| C11 | C10 | C9 | C7 | 179.7° | 179.8° |
| C26 | C27 | N6 | C9 | 179.2° | 179.7° |
| C27 | N6 | C9 | C10 | 0.9° | 0.6° |
| C27 | N6 | C9 | C7 | 178.4° | 179.5° |
| N6 | C27 | C26 | H17 | 1.4° | 0.2° |
| C10 | C9 | N6 | C7 | 179.3° | 179.9° |
| C10 | C9 | C7 | C8 | 95.6° | 71.6° |
| C10 | C9 | C7 | O1 | 22.9° | 48.4° |
| C10 | C9 | C7 | C4 | 141.4° | 168.4° |
| C9 | C10 | C11 | H26 | 178.7° | 180.0° |
| N6 | C9 | C7 | C8 | 85.1° | 108.5° |
| N6 | C9 | C7 | O1 | 156.5° | 131.5° |
| N6 | C9 | C7 | C4 | 37.9° | 11.5° |
| N6 | C9 | C10 | H11 | 179.7° | 180.0° |
| C9 | C7 | C8 | O1 | 117.7° | 120.0° |
| C9 | C7 | C8 | C4 | 119.9° | 120.0° |
| C9 | C7 | O1 | C4 | 117.6° | 120.1° |
| C9 | C7 | C4 | C3 | 68.1° | 67.8° |
| C9 | C7 | C4 | C5 | 172.4° | 172.6° |
| C9 | C7 | C4 | H3 | 51.2° | 52.4° |
| C9 | C7 | C8 | H8 | 180.0° | 60.0° |
| C9 | C7 | C8 | H9 | 60.0° | 60.0° |
| C9 | C7 | C8 | H10 | 60.0° | 180.0° |
| C7 | C9 | C10 | H11 | 0.4° | 0.1° |
| C9 | C7 | O1 | H25 | 180.0° | 60.0° |
| C8 | C7 | O1 | C4 | 124.5° | 120.0° |
| C8 | C7 | C4 | C3 | 171.7° | 172.3° |
| C8 | C7 | C4 | C5 | 52.3° | 52.6° |
| C8 | C7 | C4 | H3 | 68.9° | 67.5° |
| C7 | C8 | H8 | H9 | 120.0° | 120.0° |
| C7 | C8 | H8 | H10 | 120.0° | 120.0° |
| C7 | C8 | H9 | H10 | 120.0° | 120.1° |
| C8 | C7 | O1 | H25 | 62.1° | 180.0° |
| O1 | C7 | C4 | C3 | 49.5° | 52.3° |
| O1 | C7 | C4 | C5 | 70.0° | 67.4° |
| O1 | C7 | C4 | H3 | 168.8° | 172.5° |
| O1 | C7 | C8 | H8 | 62.3° | 60.0° |
| O1 | C7 | C8 | H9 | 57.7° | 180.0° |
| O1 | C7 | C8 | H10 | 177.7° | 59.9° |
| C7 | C4 | C3 | C5 | 123.1° | 119.9° |
| C7 | C4 | C3 | H3 | 119.2° | 120.2° |
| C7 | C4 | C3 | C2 | 179.6° | 177.6° |
| C7 | C4 | C5 | H3 | 121.1° | 120.1° |
| C7 | C4 | C5 | C6 | 177.9° | 177.6° |
| C7 | C4 | C5 | H4 | 62.2° | 57.6° |
| C7 | C4 | C5 | H5 | 58.1° | 62.5° |
| C4 | C7 | C8 | H8 | 60.1° | 180.0° |
| C4 | C7 | C8 | H9 | 179.9° | 60.0° |
| C4 | C7 | C8 | H10 | 59.9° | 60.1° |
| C7 | C4 | C3 | H23 | 59.5° | 62.5° |
| C7 | C4 | C3 | H24 | 60.2° | 57.6° |
| C4 | C7 | O1 | H25 | 62.4° | 60.0° |
| C4 | C3 | C2 | H23 | 120.1° | 120.0° |
| C4 | C3 | C2 | H24 | 120.1° | 119.9° |
| C3 | C4 | C5 | H3 | 117.6° | 119.9° |
| C4 | C3 | C2 | N1 | 57.2° | 59.2° |
| C3 | C4 | C5 | C6 | 60.8° | 57.7° |
| C3 | C4 | C5 | H4 | 59.1° | 62.3° |
| C3 | C4 | C5 | H5 | 179.3° | 177.6° |
| C4 | C3 | C2 | H21 | 62.9° | 179.2° |
| C4 | C3 | C2 | H22 | 177.4° | 60.8° |
| C4 | C3 | H23 | H24 | 119.7° | 120.1° |
| C2 | C3 | C4 | C5 | 57.2° | 57.7° |
| C3 | C2 | N1 | H21 | 120.2° | 120.1° |
| C3 | C2 | N1 | H22 | 120.2° | 120.0° |
| C3 | C2 | N1 | C6 | 60.1° | 61.7° |
| C3 | C2 | N1 | C1 | 178.4° | 174.2° |
| C2 | C3 | C4 | H3 | 60.4° | 62.3° |
| C3 | C2 | H21 | H22 | 119.5° | 120.0° |
| C2 | C3 | H23 | H24 | 119.6° | 120.1° |
| C4 | C5 | C6 | H4 | 119.9° | 120.1° |
| C4 | C5 | C6 | H5 | 119.9° | 119.9° |
| C4 | C5 | C6 | N1 | 64.5° | 59.2° |
| C4 | C5 | H4 | H5 | 120.4° | 120.1° |
| C4 | C5 | C6 | H6 | 175.6° | 60.8° |
| C4 | C5 | C6 | H7 | 55.3° | 179.2° |
| C5 | C4 | C3 | H23 | 177.4° | 177.7° |
| C5 | C4 | C3 | H24 | 62.9° | 62.3° |
| C2 | N1 | C6 | C5 | 63.5° | 61.7° |
| C2 | N1 | C6 | C1 | 122.5° | 124.2° |
| C2 | N1 | C6 | H6 | 176.6° | 58.3° |
| C2 | N1 | C6 | H7 | 56.3° | 178.3° |
| C2 | N1 | C1 | H18 | 180.0° | 64.3° |
| C2 | N1 | C1 | H19 | 60.0° | 55.8° |
| C2 | N1 | C1 | H20 | 60.0° | 175.8° |
| N1 | C2 | H21 | H22 | 119.5° | 119.9° |
| N1 | C2 | C3 | H23 | 177.4° | 179.1° |
| N1 | C2 | C3 | H24 | 62.9° | 60.8° |
| C5 | C6 | N1 | H6 | 119.9° | 120.0° |
| C5 | C6 | N1 | H7 | 119.9° | 120.0° |
| C5 | C6 | N1 | C1 | 174.0° | 174.1° |
| C6 | C5 | C4 | H3 | 56.8° | 62.2° |
| C6 | C5 | H4 | H5 | 120.4° | 120.0° |
| C5 | C6 | H6 | H7 | 120.4° | 120.0° |
| N1 | C6 | C5 | H4 | 55.4° | 60.8° |
| N1 | C6 | C5 | H5 | 175.6° | 179.1° |
| N1 | C6 | H6 | H7 | 120.4° | 119.9° |
| C6 | N1 | C1 | H18 | 57.9° | 60.0° |
| C6 | N1 | C1 | H19 | 62.1° | 180.0° |
| C6 | N1 | C1 | H20 | 177.9° | 60.0° |
| C6 | N1 | C2 | H21 | 60.1° | 178.2° |
| C6 | N1 | C2 | H22 | 179.8° | 58.3° |
| C1 | N1 | C6 | H6 | 54.1° | 65.8° |
| C1 | N1 | C6 | H7 | 66.2° | 54.1° |
| N1 | C1 | H18 | H19 | 120.0° | 120.1° |
| N1 | C1 | H18 | H20 | 120.0° | 120.0° |
| N1 | C1 | H19 | H20 | 120.0° | 120.0° |
| C1 | N1 | C2 | H21 | 61.5° | 54.1° |
| C1 | N1 | C2 | H22 | 58.2° | 65.8° |
| H3 | C4 | C5 | H4 | 176.7° | 177.7° |
| H3 | C4 | C5 | H5 | 63.1° | 57.7° |
| H3 | C4 | C3 | H23 | 59.7° | 57.7° |
| H3 | C4 | C3 | H24 | 179.5° | 177.8° |
| H4 | C5 | C6 | H6 | 64.5° | 179.2° |
| H4 | C5 | C6 | H7 | 175.2° | 59.2° |
| H5 | C5 | C6 | H6 | 55.7° | 59.2° |
| H5 | C5 | C6 | H7 | 64.5° | 60.9° |
| H8 | C8 | H9 | H10 | 119.9° | 120.0° |
| H11 | C10 | C11 | H26 | 1.3° | 0.3° |
| H13 | C20 | C21 | H15 | 62.3° | 177.0° |
| H13 | C20 | C21 | H16 | 58.6° | 56.9° |
| H14 | C20 | C21 | H15 | 177.0° | 56.8° |
| H14 | C20 | C21 | H16 | 62.1° | 63.3° |
| H18 | C1 | H19 | H20 | 120.0° | 120.0° |
| H21 | C2 | C3 | H23 | 57.2° | 60.8° |
| H21 | C2 | C3 | H24 | 176.9° | 59.3° |
| H22 | C2 | C3 | H23 | 62.5° | 59.2° |
| H22 | C2 | C3 | H24 | 57.2° | 179.2° |
| H28 | C18 | C19 | H30 | 51.5° | 56.9° |
| H28 | C18 | C19 | H31 | 68.0° | 176.9° |
| H29 | C18 | C19 | H30 | 172.2° | 63.2° |
| H29 | C18 | C19 | H31 | 52.7° | 56.9° |
