UFD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.37Å | Aromatic |
| C28 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C11 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C21 | C19 | sing | 1.51Å | 1.53Å | |
| C21 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C23 | C19 | sing | 1.53Å | 1.55Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | N6 | sing | 1.47Å | 1.51Å | |
| C10 | C17 | sing | 1.53Å | 1.54Å | |
| N6 | C9 | sing | 1.47Å | 1.47Å | |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C1 | sing | 1.37Å | 1.39Å | Aromatic |
| N4 | C4 | sing | 1.35Å | 1.43Å | Aromatic |
| N4 | N3 | doub | 1.29Å | 1.28Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | N2 | sing | 1.40Å | 1.42Å | Aromatic |
| C3 | N2 | sing | 1.37Å | 1.35Å | Aromatic |
| C3 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | N5 | sing | 1.39Å | 1.35Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C1 | H19 | sing | 1.08Å | 1.08Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å | |
| N5 | H21 | sing | 0.97Å | 1.00Å | |
| N5 | H22 | sing | 0.97Å | 1.00Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| N6 | H28 | sing | 1.01Å | 1.00Å | |
| C14 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 120.2° | 120.0° |
| C27 | C28 | C21 | 120.9° | 120.0° |
| C28 | C27 | H18 | 119.9° | 120.0° |
| C27 | C28 | H33 | 119.6° | 120.0° |
| C27 | C26 | C25 | 119.8° | 120.0° |
| C26 | C27 | H18 | 120.0° | 120.0° |
| C27 | C26 | H32 | 120.1° | 120.0° |
| C28 | C21 | C19 | 119.8° | 120.0° |
| C28 | C21 | C24 | 118.1° | 120.0° |
| C21 | C28 | H33 | 119.5° | 120.1° |
| C26 | C25 | C24 | 120.3° | 120.0° |
| C26 | C25 | H31 | 119.8° | 120.0° |
| C25 | C26 | H32 | 120.1° | 120.0° |
| C11 | C20 | C19 | 110.3° | 109.4° |
| C20 | C11 | C10 | 111.3° | 109.5° |
| C11 | C20 | H8 | 109.3° | 109.4° |
| C11 | C20 | H9 | 109.3° | 109.5° |
| C20 | C11 | H15 | 109.0° | 109.5° |
| C20 | C11 | H16 | 109.0° | 109.5° |
| C20 | C19 | C21 | 110.5° | 109.5° |
| C20 | C19 | C23 | 108.9° | 109.5° |
| C20 | C19 | C18 | 106.7° | 109.5° |
| C19 | C20 | H8 | 109.3° | 109.5° |
| C19 | C20 | H9 | 109.3° | 109.5° |
| C19 | C21 | C24 | 122.0° | 120.0° |
| C21 | C19 | C23 | 109.2° | 109.5° |
| C21 | C19 | C18 | 113.0° | 109.4° |
| C21 | C24 | C25 | 120.7° | 120.0° |
| C21 | C24 | H14 | 119.6° | 120.0° |
| C11 | C10 | C22 | 106.6° | 109.5° |
| C11 | C10 | N6 | 108.3° | 109.5° |
| C11 | C10 | C17 | 108.0° | 109.4° |
| C10 | C11 | H15 | 109.0° | 109.5° |
| C10 | C11 | H16 | 109.0° | 109.5° |
| C19 | C23 | C22 | 110.6° | 109.5° |
| C23 | C19 | C18 | 108.5° | 109.4° |
| C19 | C23 | H12 | 109.2° | 109.5° |
| C19 | C23 | H13 | 109.2° | 109.4° |
| C23 | C22 | C10 | 111.4° | 109.5° |
| C23 | C22 | H10 | 109.0° | 109.4° |
| C23 | C22 | H11 | 109.0° | 109.5° |
| C22 | C23 | H12 | 109.2° | 109.5° |
| C22 | C23 | H13 | 109.2° | 109.5° |
| C19 | C18 | C17 | 110.4° | 109.5° |
| C19 | C18 | H2 | 109.3° | 109.5° |
| C19 | C18 | H3 | 109.2° | 109.5° |
| C25 | C24 | H14 | 119.6° | 120.0° |
| C24 | C25 | H31 | 119.9° | 120.0° |
| C22 | C10 | N6 | 114.9° | 109.5° |
| C22 | C10 | C17 | 109.4° | 109.5° |
| C10 | C22 | H10 | 109.0° | 109.5° |
| C10 | C22 | H11 | 109.0° | 109.5° |
| N6 | C10 | C17 | 109.3° | 109.5° |
| C10 | N6 | C9 | 116.4° | 111.0° |
| C10 | N6 | H28 | 107.7° | 111.0° |
| C10 | C17 | C18 | 110.9° | 109.5° |
| C10 | C17 | H4 | 109.1° | 109.5° |
| C10 | C17 | H5 | 109.1° | 109.4° |
| N6 | C9 | C8 | 115.3° | 109.5° |
| N6 | C9 | H26 | 108.0° | 109.5° |
| N6 | C9 | H27 | 108.0° | 109.4° |
| C9 | N6 | H28 | 107.7° | 111.0° |
| C17 | C18 | H2 | 109.2° | 109.5° |
| C17 | C18 | H3 | 109.2° | 109.4° |
| C18 | C17 | H4 | 109.1° | 109.5° |
| C18 | C17 | H5 | 109.1° | 109.4° |
| C9 | C8 | C6 | 108.5° | 109.5° |
| C9 | C8 | H24 | 109.7° | 109.5° |
| C9 | C8 | H25 | 109.7° | 109.5° |
| C8 | C9 | H26 | 108.0° | 109.5° |
| C8 | C9 | H27 | 108.0° | 109.5° |
| C8 | C6 | C5 | 116.9° | 109.5° |
| C8 | C6 | C7 | 110.3° | 109.4° |
| C8 | C6 | H23 | 107.5° | 109.4° |
| C6 | C8 | H24 | 109.7° | 109.5° |
| C6 | C8 | H25 | 109.7° | 109.4° |
| C5 | C6 | C7 | 106.6° | 109.5° |
| C6 | C5 | C4 | 119.5° | 120.8° |
| C6 | C5 | C1 | 122.8° | 120.8° |
| C5 | C6 | H23 | 107.5° | 109.5° |
| C6 | C7 | C16 | 120.6° | 120.0° |
| C6 | C7 | C12 | 120.7° | 120.0° |
| C7 | C6 | H23 | 107.6° | 109.5° |
| C4 | C5 | C1 | 117.6° | 118.4° |
| C5 | C4 | N4 | 131.6° | 133.2° |
| C5 | C4 | C3 | 119.6° | 118.9° |
| C5 | C1 | C2 | 119.6° | 119.7° |
| C5 | C1 | H19 | 120.2° | 120.1° |
| C4 | N4 | N3 | 107.2° | 110.1° |
| N4 | C4 | C3 | 108.8° | 107.9° |
| N4 | N3 | N2 | 109.2° | 109.4° |
| C4 | C3 | N2 | 105.1° | 105.9° |
| C4 | C3 | N1 | 123.0° | 120.5° |
| C1 | C2 | N1 | 122.1° | 121.2° |
| C1 | C2 | N5 | 121.5° | 119.4° |
| C2 | C1 | H19 | 120.2° | 120.1° |
| C16 | C7 | C12 | 118.6° | 120.0° |
| C7 | C16 | C15 | 120.5° | 119.9° |
| C7 | C16 | H6 | 119.7° | 120.0° |
| C7 | C12 | C13 | 120.6° | 120.0° |
| C7 | C12 | H17 | 119.7° | 120.0° |
| C16 | C15 | C14 | 120.2° | 120.1° |
| C15 | C16 | H6 | 119.7° | 120.1° |
| C16 | C15 | H7 | 119.9° | 119.9° |
| N3 | N2 | C3 | 109.6° | 106.7° |
| N3 | N2 | H20 | 125.2° | 126.7° |
| N2 | C3 | N1 | 131.9° | 133.6° |
| C3 | N2 | H20 | 125.2° | 126.7° |
| C3 | N1 | C2 | 118.1° | 121.3° |
| N1 | C2 | N5 | 116.5° | 119.4° |
| C2 | N5 | H21 | 109.5° | 120.0° |
| C2 | N5 | H22 | 109.5° | 120.0° |
| C12 | C13 | C14 | 120.1° | 120.0° |
| C12 | C13 | H1 | 120.0° | 120.0° |
| C13 | C12 | H17 | 119.7° | 120.0° |
| C15 | C14 | C13 | 119.9° | 119.9° |
| C14 | C15 | H7 | 119.9° | 120.0° |
| C15 | C14 | H30 | 120.1° | 120.0° |
| C14 | C13 | H1 | 119.9° | 120.0° |
| C13 | C14 | H30 | 120.0° | 120.1° |
| H2 | C18 | H3 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.4° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.4° |
| H15 | C11 | H16 | 109.5° | 109.4° |
| H21 | N5 | H22 | 109.5° | 120.0° |
| H24 | C8 | H25 | 109.5° | 109.5° |
| H26 | C9 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H18 | 180.0° | 179.3° |
| C27 | C28 | C21 | H33 | 180.0° | 179.4° |
| C28 | C27 | C26 | C25 | 1.2° | 0.3° |
| C27 | C28 | C21 | C19 | 175.2° | 179.7° |
| C27 | C28 | C21 | C24 | 1.7° | 0.6° |
| C28 | C27 | C26 | H32 | 178.8° | 180.0° |
| C26 | C27 | C28 | C21 | 0.3° | 0.6° |
| C27 | C26 | C25 | H32 | 180.0° | 179.7° |
| C27 | C26 | C25 | C24 | 1.2° | 0.0° |
| C27 | C26 | C25 | H31 | 178.8° | 180.0° |
| C26 | C27 | C28 | H33 | 179.7° | 180.0° |
| C28 | C21 | C19 | C20 | 70.2° | 120.3° |
| C28 | C21 | C19 | C24 | 176.7° | 179.7° |
| C28 | C21 | C19 | C23 | 49.5° | 119.7° |
| C28 | C21 | C19 | C18 | 170.3° | 0.2° |
| C28 | C21 | C24 | C25 | 1.6° | 0.3° |
| C28 | C21 | C24 | H14 | 178.4° | 179.7° |
| C21 | C28 | C27 | H18 | 179.7° | 180.0° |
| C26 | C25 | C24 | C21 | 0.2° | 0.0° |
| C26 | C25 | C24 | H31 | 180.0° | 180.0° |
| C26 | C25 | C24 | H14 | 179.8° | 180.0° |
| C25 | C26 | C27 | H18 | 178.8° | 179.7° |
| C11 | C20 | C19 | H8 | 120.1° | 119.9° |
| C11 | C20 | C19 | H9 | 120.1° | 120.0° |
| C11 | C20 | C19 | C21 | 174.2° | 180.0° |
| C20 | C11 | C10 | H15 | 120.3° | 120.0° |
| C20 | C11 | C10 | H16 | 120.3° | 120.0° |
| C11 | C20 | C19 | C23 | 54.3° | 60.0° |
| C11 | C20 | C19 | C18 | 62.7° | 60.0° |
| C20 | C11 | C10 | C22 | 62.4° | 60.0° |
| C20 | C11 | C10 | N6 | 173.4° | 180.0° |
| C20 | C11 | C10 | C17 | 55.1° | 60.0° |
| C11 | C20 | H8 | H9 | 119.6° | 120.0° |
| C20 | C11 | H15 | H16 | 119.2° | 120.0° |
| C20 | C19 | C21 | C23 | 119.7° | 120.0° |
| C20 | C19 | C21 | C18 | 119.4° | 120.0° |
| C20 | C19 | C21 | C24 | 113.1° | 60.0° |
| C19 | C20 | C11 | C10 | 6.0° | 0.0° |
| C20 | C19 | C23 | C18 | 115.8° | 120.1° |
| C20 | C19 | C23 | C22 | 58.7° | 60.0° |
| C20 | C19 | C18 | C17 | 57.3° | 60.0° |
| C20 | C19 | C18 | H2 | 62.9° | 180.0° |
| C20 | C19 | C18 | H3 | 177.4° | 59.9° |
| C19 | C20 | H8 | H9 | 119.6° | 120.1° |
| C20 | C19 | C23 | H12 | 178.9° | 180.0° |
| C20 | C19 | C23 | H13 | 61.5° | 60.0° |
| C19 | C20 | C11 | H15 | 114.3° | 120.0° |
| C19 | C20 | C11 | H16 | 126.3° | 120.0° |
| C21 | C19 | C23 | C18 | 123.5° | 119.9° |
| C21 | C19 | C23 | C22 | 179.4° | 180.0° |
| C19 | C21 | C24 | C25 | 175.1° | 180.0° |
| C21 | C19 | C18 | C17 | 178.8° | 180.0° |
| C21 | C19 | C18 | H2 | 58.7° | 60.0° |
| C21 | C19 | C18 | H3 | 61.0° | 60.1° |
| C21 | C19 | C20 | H8 | 65.7° | 60.1° |
| C21 | C19 | C20 | H9 | 54.1° | 60.0° |
| C21 | C19 | C23 | H12 | 60.5° | 59.9° |
| C21 | C19 | C23 | H13 | 59.2° | 60.0° |
| C19 | C21 | C24 | H14 | 4.9° | 0.0° |
| C19 | C21 | C28 | H33 | 4.9° | 0.3° |
| C24 | C21 | C19 | C23 | 127.2° | 60.1° |
| C24 | C21 | C19 | C18 | 6.4° | 180.0° |
| C21 | C24 | C25 | H14 | 180.0° | 180.0° |
| C21 | C24 | C25 | H31 | 179.8° | 180.0° |
| C24 | C21 | C28 | H33 | 178.3° | 180.0° |
| C11 | C10 | C22 | C23 | 58.1° | 60.0° |
| C11 | C10 | C22 | N6 | 120.0° | 120.0° |
| C11 | C10 | C22 | C17 | 116.6° | 119.9° |
| C11 | C10 | N6 | C17 | 117.5° | 120.0° |
| C11 | C10 | N6 | C9 | 156.3° | 60.0° |
| C11 | C10 | C17 | C18 | 60.3° | 60.1° |
| C11 | C10 | C17 | H4 | 179.4° | 60.0° |
| C11 | C10 | C17 | H5 | 59.9° | 180.0° |
| C10 | C11 | C20 | H8 | 114.1° | 120.0° |
| C10 | C11 | C20 | H9 | 126.1° | 120.1° |
| C11 | C10 | C22 | H10 | 178.3° | 179.9° |
| C11 | C10 | C22 | H11 | 62.2° | 60.0° |
| C10 | C11 | H15 | H16 | 119.2° | 120.0° |
| C11 | C10 | N6 | H28 | 35.3° | 176.1° |
| C19 | C23 | C22 | H12 | 120.2° | 120.0° |
| C19 | C23 | C22 | H13 | 120.1° | 120.0° |
| C19 | C23 | C22 | C10 | 1.5° | 0.1° |
| C23 | C19 | C18 | C17 | 59.9° | 60.1° |
| C23 | C19 | C18 | H2 | 179.9° | 60.0° |
| C23 | C19 | C18 | H3 | 60.2° | 180.0° |
| C23 | C19 | C20 | H8 | 174.4° | 59.9° |
| C23 | C19 | C20 | H9 | 65.8° | 180.0° |
| C19 | C23 | C22 | H10 | 118.8° | 120.0° |
| C19 | C23 | C22 | H11 | 121.8° | 120.0° |
| C19 | C23 | H12 | H13 | 119.5° | 120.0° |
| C22 | C23 | C19 | C18 | 57.1° | 60.1° |
| C23 | C22 | C10 | H10 | 120.3° | 119.9° |
| C23 | C22 | C10 | H11 | 120.3° | 120.0° |
| C23 | C22 | C10 | N6 | 178.0° | 180.0° |
| C23 | C22 | C10 | C17 | 58.6° | 59.9° |
| C23 | C22 | H10 | H11 | 119.1° | 120.0° |
| C22 | C23 | H12 | H13 | 119.5° | 120.0° |
| C19 | C18 | C17 | C10 | 3.3° | 0.1° |
| C19 | C18 | C17 | H2 | 120.2° | 120.1° |
| C19 | C18 | C17 | H3 | 120.1° | 119.9° |
| C19 | C18 | H2 | H3 | 119.6° | 120.0° |
| C19 | C18 | C17 | H4 | 123.6° | 120.0° |
| C19 | C18 | C17 | H5 | 116.9° | 120.0° |
| C18 | C19 | C20 | H8 | 57.5° | 180.0° |
| C18 | C19 | C20 | H9 | 177.2° | 60.0° |
| C18 | C19 | C23 | H12 | 63.1° | 60.0° |
| C18 | C19 | C23 | H13 | 177.3° | 179.9° |
| C24 | C25 | C26 | H32 | 178.8° | 179.7° |
| C22 | C10 | N6 | C17 | 123.5° | 120.0° |
| C22 | C10 | N6 | C9 | 37.2° | 180.0° |
| C22 | C10 | C17 | C18 | 55.4° | 59.9° |
| C22 | C10 | C17 | H4 | 64.8° | 180.0° |
| C22 | C10 | C17 | H5 | 175.6° | 60.0° |
| C10 | C22 | H10 | H11 | 119.1° | 120.0° |
| C10 | C22 | C23 | H12 | 121.7° | 120.0° |
| C10 | C22 | C23 | H13 | 118.6° | 120.0° |
| C22 | C10 | C11 | H15 | 57.8° | 60.0° |
| C22 | C10 | C11 | H16 | 177.3° | 180.0° |
| C22 | C10 | N6 | H28 | 83.8° | 56.1° |
| C10 | N6 | C9 | H28 | 121.0° | 124.0° |
| N6 | C10 | C17 | C18 | 177.9° | 179.9° |
| C10 | N6 | C9 | C8 | 159.5° | 180.0° |
| N6 | C10 | C17 | H4 | 61.8° | 60.0° |
| N6 | C10 | C17 | H5 | 57.7° | 60.0° |
| N6 | C10 | C22 | H10 | 61.7° | 60.0° |
| N6 | C10 | C22 | H11 | 57.7° | 60.0° |
| N6 | C10 | C11 | H15 | 66.3° | 60.0° |
| N6 | C10 | C11 | H16 | 53.1° | 60.0° |
| C10 | N6 | C9 | H26 | 38.7° | 60.0° |
| C10 | N6 | C9 | H27 | 79.6° | 60.0° |
| C17 | C10 | N6 | C9 | 86.3° | 60.0° |
| C10 | C17 | C18 | H4 | 120.3° | 120.1° |
| C10 | C17 | C18 | H5 | 120.2° | 119.9° |
| C10 | C17 | C18 | H2 | 123.5° | 120.0° |
| C10 | C17 | C18 | H3 | 116.8° | 120.0° |
| C10 | C17 | H4 | H5 | 119.3° | 120.0° |
| C17 | C10 | C22 | H10 | 61.7° | 60.0° |
| C17 | C10 | C22 | H11 | 178.9° | 180.0° |
| C17 | C10 | C11 | H15 | 175.4° | 180.0° |
| C17 | C10 | C11 | H16 | 65.2° | 60.0° |
| C17 | C10 | N6 | H28 | 152.8° | 64.0° |
| N6 | C9 | C8 | H26 | 120.9° | 120.0° |
| N6 | C9 | C8 | H27 | 120.9° | 120.0° |
| N6 | C9 | C8 | C6 | 160.2° | 180.0° |
| N6 | C9 | C8 | H24 | 79.9° | 60.0° |
| N6 | C9 | C8 | H25 | 40.3° | 60.0° |
| N6 | C9 | H26 | H27 | 117.3° | 119.9° |
| C17 | C18 | H2 | H3 | 119.6° | 119.9° |
| C18 | C17 | H4 | H5 | 119.3° | 120.0° |
| C9 | C8 | C6 | H24 | 119.9° | 120.0° |
| C9 | C8 | C6 | H25 | 119.8° | 120.0° |
| C9 | C8 | C6 | C5 | 166.7° | 175.0° |
| C9 | C8 | C6 | C7 | 71.3° | 65.0° |
| C9 | C8 | C6 | H23 | 45.7° | 54.9° |
| C9 | C8 | H24 | H25 | 120.4° | 120.0° |
| C8 | C9 | H26 | H27 | 117.4° | 120.0° |
| C8 | C9 | N6 | H28 | 79.5° | 56.0° |
| C8 | C6 | C5 | C7 | 123.9° | 119.9° |
| C8 | C6 | C5 | H23 | 120.9° | 120.0° |
| C8 | C6 | C7 | H23 | 116.9° | 119.9° |
| C8 | C6 | C5 | C4 | 153.2° | 125.7° |
| C8 | C6 | C5 | C1 | 31.1° | 53.7° |
| C8 | C6 | C7 | C16 | 124.4° | 52.1° |
| C8 | C6 | C7 | C12 | 51.2° | 127.9° |
| C6 | C8 | H24 | H25 | 120.5° | 119.9° |
| C6 | C8 | C9 | H26 | 39.3° | 60.0° |
| C6 | C8 | C9 | H27 | 78.9° | 60.0° |
| C5 | C6 | C7 | H23 | 115.1° | 120.1° |
| C6 | C5 | C4 | C1 | 175.9° | 179.4° |
| C6 | C5 | C4 | N4 | 3.6° | 0.4° |
| C6 | C5 | C4 | C3 | 175.8° | 180.0° |
| C6 | C5 | C1 | C2 | 174.0° | 180.0° |
| C5 | C6 | C7 | C16 | 107.7° | 67.9° |
| C5 | C6 | C7 | C12 | 76.7° | 112.1° |
| C6 | C5 | C1 | H19 | 6.0° | 0.3° |
| C5 | C6 | C8 | H24 | 46.8° | 64.9° |
| C5 | C6 | C8 | H25 | 73.5° | 55.0° |
| C7 | C6 | C5 | C4 | 82.9° | 114.3° |
| C7 | C6 | C5 | C1 | 92.8° | 66.3° |
| C6 | C7 | C16 | C12 | 175.7° | 180.0° |
| C6 | C7 | C16 | C15 | 173.8° | 179.7° |
| C6 | C7 | C12 | C13 | 173.3° | 180.0° |
| C6 | C7 | C16 | H6 | 6.2° | 0.2° |
| C6 | C7 | C12 | H17 | 6.7° | 0.0° |
| C7 | C6 | C8 | H24 | 168.9° | 55.0° |
| C7 | C6 | C8 | H25 | 48.5° | 175.0° |
| C5 | C4 | N4 | C3 | 179.4° | 179.6° |
| C5 | C4 | N4 | N3 | 179.5° | 179.7° |
| C4 | C5 | C1 | C2 | 1.7° | 0.5° |
| C5 | C4 | C3 | N2 | 179.7° | 179.7° |
| C5 | C4 | C3 | N1 | 2.1° | 0.3° |
| C4 | C5 | C1 | H19 | 178.3° | 179.8° |
| C4 | C5 | C6 | H23 | 32.3° | 5.7° |
| C1 | C5 | C4 | N4 | 179.5° | 179.9° |
| C1 | C5 | C4 | C3 | 0.1° | 0.6° |
| C5 | C1 | C2 | H19 | 180.0° | 179.7° |
| C5 | C1 | C2 | N1 | 1.4° | 0.2° |
| C5 | C1 | C2 | N5 | 179.2° | 179.7° |
| C1 | C5 | C6 | H23 | 152.0° | 173.7° |
| C4 | N4 | N3 | N2 | 0.6° | 0.0° |
| N4 | C4 | C3 | N2 | 0.8° | 0.1° |
| N4 | C4 | C3 | N1 | 177.4° | 180.0° |
| N3 | N4 | C4 | C3 | 0.1° | 0.1° |
| N4 | N3 | N2 | C3 | 1.2° | 0.0° |
| N4 | N3 | N2 | H20 | 178.8° | 179.9° |
| C4 | C3 | N2 | N3 | 1.1° | 0.0° |
| C4 | C3 | N2 | N1 | 178.0° | 180.0° |
| C4 | C3 | N1 | C2 | 2.5° | 0.0° |
| C4 | C3 | N2 | H20 | 178.8° | 179.9° |
| C1 | C2 | N1 | C3 | 0.7° | 0.1° |
| C1 | C2 | N1 | N5 | 179.4° | 179.9° |
| C1 | C2 | N5 | H21 | 179.4° | 0.0° |
| C1 | C2 | N5 | H22 | 59.4° | 179.9° |
| C7 | C16 | C15 | H6 | 180.0° | 179.5° |
| C16 | C7 | C12 | C13 | 2.4° | 0.0° |
| C7 | C16 | C15 | C14 | 0.1° | 0.5° |
| C7 | C16 | C15 | H7 | 179.9° | 179.4° |
| C16 | C7 | C12 | H17 | 177.6° | 180.0° |
| C16 | C7 | C6 | H23 | 7.4° | 172.1° |
| C12 | C7 | C16 | C15 | 1.9° | 0.3° |
| C7 | C12 | C13 | H17 | 180.0° | 179.9° |
| C7 | C12 | C13 | C14 | 1.1° | 0.0° |
| C7 | C12 | C13 | H1 | 178.9° | 179.7° |
| C12 | C7 | C16 | H6 | 178.2° | 179.8° |
| C12 | C7 | C6 | H23 | 168.1° | 7.9° |
| C16 | C15 | C14 | H7 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 1.1° | 0.5° |
| C16 | C15 | C14 | H30 | 178.9° | 179.5° |
| N3 | N2 | C3 | H20 | 180.0° | 179.9° |
| N3 | N2 | C3 | N1 | 176.8° | 180.0° |
| N2 | C3 | N1 | C2 | 179.8° | 179.9° |
| C3 | N1 | C2 | N5 | 178.7° | 180.0° |
| N1 | C3 | N2 | H20 | 3.2° | 0.1° |
| N1 | C2 | C1 | H19 | 178.6° | 179.9° |
| N1 | C2 | N5 | H21 | 0.0° | 179.9° |
| N1 | C2 | N5 | H22 | 120.0° | 0.0° |
| N5 | C2 | C1 | H19 | 0.8° | 0.0° |
| C2 | N5 | H21 | H22 | 120.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.6° | 0.3° |
| C12 | C13 | C14 | H1 | 180.0° | 179.7° |
| C12 | C13 | C14 | H30 | 179.4° | 179.7° |
| C15 | C14 | C13 | H30 | 180.0° | 180.0° |
| C15 | C14 | C13 | H1 | 179.4° | 180.0° |
| C14 | C15 | C16 | H6 | 179.9° | 180.0° |
| C13 | C14 | C15 | H7 | 178.8° | 179.4° |
| C14 | C13 | C12 | H17 | 178.8° | 180.0° |
| H1 | C13 | C12 | H17 | 1.2° | 0.3° |
| H1 | C13 | C14 | H30 | 0.6° | 0.0° |
| H2 | C18 | C17 | H4 | 116.3° | 120.0° |
| H2 | C18 | C17 | H5 | 3.3° | 0.1° |
| H3 | C18 | C17 | H4 | 3.5° | 0.1° |
| H3 | C18 | C17 | H5 | 123.0° | 120.1° |
| H6 | C16 | C15 | H7 | 0.1° | 0.1° |
| H7 | C15 | C14 | H30 | 1.1° | 0.6° |
| H8 | C20 | C11 | H15 | 125.6° | 0.0° |
| H8 | C20 | C11 | H16 | 6.1° | 120.0° |
| H9 | C20 | C11 | H15 | 5.8° | 119.9° |
| H9 | C20 | C11 | H16 | 113.6° | 0.0° |
| H10 | C22 | C23 | H12 | 1.4° | 0.0° |
| H10 | C22 | C23 | H13 | 121.1° | 120.0° |
| H11 | C22 | C23 | H12 | 118.0° | 120.0° |
| H11 | C22 | C23 | H13 | 1.7° | 0.0° |
| H14 | C24 | C25 | H31 | 0.2° | 0.0° |
| H18 | C27 | C26 | H32 | 1.2° | 0.7° |
| H18 | C27 | C28 | H33 | 0.3° | 0.7° |
| H23 | C6 | C8 | H24 | 74.1° | 175.0° |
| H23 | C6 | C8 | H25 | 165.6° | 65.1° |
| H24 | C8 | C9 | H26 | 159.2° | 180.0° |
| H24 | C8 | C9 | H27 | 40.9° | 60.0° |
| H25 | C8 | C9 | H26 | 80.5° | 60.0° |
| H25 | C8 | C9 | H27 | 161.2° | 180.0° |
| H26 | C9 | N6 | H28 | 159.7° | 64.0° |
| H27 | C9 | N6 | H28 | 41.4° | 176.1° |
| H31 | C25 | C26 | H32 | 1.2° | 0.3° |
