A1BDR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C24 | sing | 1.47Å | 1.47Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C20 | sing | 1.47Å | 1.47Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | C13 | sing | 1.35Å | 1.34Å | |
| C13 | O3 | doub | 1.21Å | 1.23Å | |
| C13 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | N1 | sing | 1.46Å | 1.45Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C4 | sing | 1.35Å | 1.34Å | |
| O1 | C4 | doub | 1.21Å | 1.23Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C10 | O2 | sing | 1.36Å | 1.36Å | |
| C10 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C5 | H32 | sing | 1.09Å | 1.10Å | |
| C6 | H33 | sing | 1.09Å | 1.10Å | |
| C6 | H34 | sing | 1.09Å | 1.10Å | |
| C8 | H35 | sing | 1.08Å | 1.08Å | |
| C9 | H36 | sing | 1.08Å | 1.08Å | |
| N1 | H37 | sing | 0.97Å | 1.00Å | |
| N2 | H38 | sing | 0.97Å | 1.00Å | |
| N3 | H39 | sing | 1.01Å | 1.00Å | |
| N4 | H41 | sing | 1.01Å | 1.00Å | |
| N4 | H42 | sing | 1.01Å | 1.00Å | |
| O2 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C24 | C23 | 114.4° | 109.5° |
| N4 | C24 | H28 | 108.2° | 109.5° |
| N4 | C24 | H29 | 108.2° | 109.5° |
| C24 | N4 | H41 | 109.5° | 111.0° |
| C24 | N4 | H42 | 109.4° | 111.0° |
| C24 | C23 | C22 | 114.6° | 109.5° |
| C24 | C23 | H26 | 108.2° | 109.5° |
| C24 | C23 | H27 | 108.1° | 109.5° |
| C23 | C24 | H28 | 108.2° | 109.4° |
| C23 | C24 | H29 | 108.2° | 109.5° |
| C23 | C22 | C21 | 112.8° | 109.5° |
| C23 | C22 | H24 | 108.7° | 109.4° |
| C23 | C22 | H25 | 108.6° | 109.5° |
| C22 | C23 | H26 | 108.2° | 109.4° |
| C22 | C23 | H27 | 108.2° | 109.5° |
| C22 | C21 | N3 | 112.2° | 109.4° |
| C22 | C21 | H22 | 108.8° | 109.4° |
| C22 | C21 | H23 | 108.8° | 109.5° |
| C21 | C22 | H24 | 108.6° | 109.5° |
| C21 | C22 | H25 | 108.6° | 109.4° |
| C21 | N3 | C20 | 114.3° | 111.0° |
| N3 | C21 | H22 | 108.8° | 109.5° |
| N3 | C21 | H23 | 108.8° | 109.5° |
| C21 | N3 | H39 | 108.2° | 111.0° |
| N3 | C20 | C19 | 111.7° | 109.5° |
| N3 | C20 | H20 | 108.9° | 109.5° |
| N3 | C20 | H21 | 108.9° | 109.5° |
| C20 | N3 | H39 | 108.2° | 111.0° |
| C20 | C19 | C18 | 116.7° | 109.5° |
| C20 | C19 | H16 | 107.7° | 109.5° |
| C20 | C19 | H17 | 107.6° | 109.5° |
| C19 | C20 | H20 | 108.9° | 109.4° |
| C19 | C20 | H21 | 108.9° | 109.4° |
| C19 | C18 | C17 | 113.3° | 109.5° |
| C19 | C18 | H2 | 108.5° | 109.5° |
| C19 | C18 | H3 | 108.5° | 109.4° |
| C18 | C19 | H16 | 107.6° | 109.5° |
| C18 | C19 | H17 | 107.6° | 109.4° |
| C18 | C17 | C16 | 112.9° | 109.5° |
| C17 | C18 | H2 | 108.5° | 109.5° |
| C17 | C18 | H3 | 108.5° | 109.4° |
| C18 | C17 | H8 | 108.6° | 109.4° |
| C18 | C17 | H9 | 108.6° | 109.5° |
| C17 | C16 | C15 | 116.3° | 109.5° |
| C16 | C17 | H8 | 108.6° | 109.5° |
| C16 | C17 | H9 | 108.6° | 109.5° |
| C17 | C16 | H14 | 107.8° | 109.5° |
| C17 | C16 | H15 | 107.7° | 109.5° |
| C16 | C15 | C14 | 113.2° | 109.4° |
| C16 | C15 | H6 | 108.6° | 109.5° |
| C16 | C15 | H7 | 108.5° | 109.5° |
| C15 | C16 | H14 | 107.7° | 109.4° |
| C15 | C16 | H15 | 107.7° | 109.5° |
| C15 | C14 | N2 | 112.4° | 109.4° |
| C15 | C14 | H4 | 108.7° | 109.5° |
| C15 | C14 | H5 | 108.7° | 109.5° |
| C14 | C15 | H6 | 108.5° | 109.5° |
| C14 | C15 | H7 | 108.5° | 109.4° |
| C14 | N2 | C13 | 122.8° | 120.0° |
| N2 | C14 | H4 | 108.7° | 109.5° |
| N2 | C14 | H5 | 108.7° | 109.5° |
| C14 | N2 | H38 | 118.6° | 120.0° |
| N2 | C13 | O3 | 122.9° | 120.1° |
| N2 | C13 | C5 | 116.5° | 120.0° |
| C13 | N2 | H38 | 118.6° | 120.0° |
| O3 | C13 | C5 | 120.7° | 120.0° |
| C13 | C5 | C6 | 111.1° | 109.4° |
| C13 | C5 | N1 | 111.7° | 109.5° |
| C13 | C5 | H32 | 107.5° | 109.5° |
| C6 | C5 | N1 | 110.5° | 109.5° |
| C5 | C6 | C7 | 115.2° | 109.4° |
| C6 | C5 | H32 | 107.4° | 109.5° |
| C5 | C6 | H33 | 108.0° | 109.5° |
| C5 | C6 | H34 | 108.0° | 109.5° |
| C5 | N1 | C4 | 123.1° | 120.0° |
| N1 | C5 | H32 | 108.5° | 109.5° |
| C5 | N1 | H37 | 118.4° | 120.0° |
| C11 | C12 | C7 | 121.3° | 120.1° |
| C12 | C11 | C10 | 119.9° | 120.0° |
| C12 | C11 | H1 | 120.1° | 120.1° |
| C11 | C12 | H13 | 119.3° | 120.0° |
| C12 | C7 | C6 | 121.0° | 120.0° |
| C12 | C7 | C8 | 117.8° | 120.1° |
| C7 | C12 | H13 | 119.4° | 120.0° |
| C6 | C7 | C8 | 121.2° | 119.9° |
| C7 | C6 | H33 | 108.0° | 109.5° |
| C7 | C6 | H34 | 108.0° | 109.5° |
| C11 | C10 | O2 | 119.9° | 120.1° |
| C11 | C10 | C9 | 119.9° | 119.9° |
| C10 | C11 | H1 | 120.0° | 120.0° |
| C7 | C8 | C9 | 121.4° | 120.1° |
| C7 | C8 | H35 | 119.3° | 120.0° |
| N1 | C4 | O1 | 122.3° | 120.0° |
| N1 | C4 | C3 | 115.9° | 120.0° |
| C4 | N1 | H37 | 118.5° | 119.9° |
| O1 | C4 | C3 | 121.8° | 120.0° |
| C4 | C3 | C2 | 112.4° | 109.5° |
| C4 | C3 | H30 | 108.7° | 109.5° |
| C4 | C3 | H31 | 108.7° | 109.4° |
| O2 | C10 | C9 | 120.2° | 120.0° |
| C10 | O2 | H44 | 109.5° | 114.0° |
| C10 | C9 | C8 | 119.7° | 119.9° |
| C10 | C9 | H36 | 120.2° | 120.1° |
| C9 | C8 | H35 | 119.3° | 120.0° |
| C8 | C9 | H36 | 120.1° | 120.0° |
| C3 | C2 | C1 | 112.3° | 109.4° |
| C3 | C2 | H18 | 108.7° | 109.5° |
| C3 | C2 | H19 | 108.7° | 109.5° |
| C2 | C3 | H30 | 108.7° | 109.5° |
| C2 | C3 | H31 | 108.7° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.4° |
| C1 | C2 | H18 | 108.8° | 109.5° |
| C1 | C2 | H19 | 108.7° | 109.4° |
| H2 | C18 | H3 | 109.5° | 109.5° |
| H4 | C14 | H5 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.4° |
| H10 | C1 | H11 | 109.4° | 109.5° |
| H10 | C1 | H12 | 109.4° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.4° |
| H18 | C2 | H19 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.4° | 109.5° |
| H24 | C22 | H25 | 109.5° | 109.5° |
| H26 | C23 | H27 | 109.5° | 109.4° |
| H28 | C24 | H29 | 109.5° | 109.4° |
| H30 | C3 | H31 | 109.5° | 109.5° |
| H33 | C6 | H34 | 109.4° | 109.5° |
| H41 | N4 | H42 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C24 | C23 | H28 | 120.7° | 120.0° |
| N4 | C24 | C23 | H29 | 120.7° | 120.1° |
| N4 | C24 | C23 | C22 | 178.3° | 180.0° |
| N4 | C24 | C23 | H26 | 60.9° | 60.0° |
| N4 | C24 | C23 | H27 | 57.5° | 59.9° |
| N4 | C24 | H28 | H29 | 117.8° | 120.0° |
| C24 | N4 | H41 | H42 | 120.0° | 124.0° |
| C24 | C23 | C22 | H26 | 120.8° | 120.0° |
| C24 | C23 | C22 | H27 | 120.7° | 120.1° |
| C24 | C23 | C22 | C21 | 179.1° | 180.0° |
| C24 | C23 | C22 | H24 | 58.6° | 60.0° |
| C24 | C23 | C22 | H25 | 60.4° | 60.0° |
| C24 | C23 | H26 | H27 | 117.6° | 120.0° |
| C23 | C24 | H28 | H29 | 117.8° | 120.0° |
| C23 | C24 | N4 | H41 | 180.0° | 56.0° |
| C23 | C24 | N4 | H42 | 60.0° | 179.9° |
| C23 | C22 | C21 | H24 | 120.5° | 120.0° |
| C23 | C22 | C21 | H25 | 120.5° | 120.0° |
| C23 | C22 | C21 | N3 | 178.9° | 180.0° |
| C23 | C22 | C21 | H22 | 58.5° | 60.0° |
| C23 | C22 | C21 | H23 | 60.7° | 60.0° |
| C23 | C22 | H24 | H25 | 118.5° | 120.0° |
| C22 | C23 | H26 | H27 | 117.6° | 120.0° |
| C22 | C23 | C24 | H28 | 57.6° | 60.0° |
| C22 | C23 | C24 | H29 | 61.0° | 59.9° |
| C22 | C21 | N3 | H22 | 120.4° | 119.9° |
| C22 | C21 | N3 | H23 | 120.4° | 120.0° |
| C22 | C21 | N3 | C20 | 63.6° | 180.0° |
| C22 | C21 | H22 | H23 | 118.8° | 120.0° |
| C21 | C22 | H24 | H25 | 118.5° | 120.0° |
| C21 | C22 | C23 | H26 | 60.1° | 60.0° |
| C21 | C22 | C23 | H27 | 58.3° | 60.0° |
| C22 | C21 | N3 | H39 | 175.7° | 56.1° |
| C21 | N3 | C20 | H39 | 120.7° | 123.9° |
| C21 | N3 | C20 | C19 | 61.4° | 180.0° |
| C21 | N3 | C20 | H20 | 178.2° | 60.0° |
| C21 | N3 | C20 | H21 | 58.9° | 60.0° |
| N3 | C21 | H22 | H23 | 118.7° | 120.0° |
| N3 | C21 | C22 | H24 | 60.6° | 60.0° |
| N3 | C21 | C22 | H25 | 58.4° | 60.0° |
| N3 | C20 | C19 | H20 | 120.4° | 120.0° |
| N3 | C20 | C19 | H21 | 120.3° | 120.0° |
| N3 | C20 | C19 | C18 | 81.2° | 180.0° |
| N3 | C20 | C19 | H16 | 157.7° | 59.9° |
| N3 | C20 | C19 | H17 | 39.8° | 60.0° |
| N3 | C20 | H20 | H21 | 118.9° | 120.1° |
| C20 | N3 | C21 | H22 | 56.8° | 60.0° |
| C20 | N3 | C21 | H23 | 176.0° | 60.0° |
| C20 | C19 | C18 | H16 | 121.1° | 120.1° |
| C20 | C19 | C18 | H17 | 121.0° | 120.0° |
| C20 | C19 | C18 | C17 | 88.5° | 180.0° |
| C20 | C19 | C18 | H2 | 151.0° | 59.9° |
| C20 | C19 | C18 | H3 | 32.1° | 60.0° |
| C20 | C19 | H16 | H17 | 116.7° | 120.0° |
| C19 | C20 | H20 | H21 | 119.0° | 119.9° |
| C19 | C20 | N3 | H39 | 59.3° | 56.1° |
| C19 | C18 | C17 | H2 | 120.5° | 120.1° |
| C19 | C18 | C17 | H3 | 120.5° | 120.0° |
| C19 | C18 | C17 | C16 | 162.5° | 180.0° |
| C19 | C18 | H2 | H3 | 118.3° | 120.0° |
| C19 | C18 | C17 | H8 | 77.0° | 60.0° |
| C19 | C18 | C17 | H9 | 42.0° | 59.9° |
| C18 | C19 | H16 | H17 | 116.7° | 119.9° |
| C18 | C19 | C20 | H20 | 39.1° | 59.9° |
| C18 | C19 | C20 | H21 | 158.5° | 60.0° |
| C18 | C17 | C16 | H8 | 120.5° | 120.0° |
| C18 | C17 | C16 | H9 | 120.5° | 120.0° |
| C18 | C17 | C16 | C15 | 170.3° | 180.0° |
| C17 | C18 | H2 | H3 | 118.3° | 120.0° |
| C18 | C17 | H8 | H9 | 118.5° | 120.0° |
| C18 | C17 | C16 | H14 | 49.3° | 60.0° |
| C18 | C17 | C16 | H15 | 68.7° | 60.0° |
| C17 | C18 | C19 | H16 | 32.6° | 59.9° |
| C17 | C18 | C19 | H17 | 150.5° | 60.0° |
| C17 | C16 | C15 | H14 | 121.0° | 120.0° |
| C17 | C16 | C15 | H15 | 121.0° | 120.0° |
| C17 | C16 | C15 | C14 | 172.9° | 180.0° |
| C16 | C17 | C18 | H2 | 41.9° | 60.0° |
| C16 | C17 | C18 | H3 | 77.0° | 60.0° |
| C17 | C16 | C15 | H6 | 66.5° | 60.0° |
| C17 | C16 | C15 | H7 | 52.4° | 60.0° |
| C16 | C17 | H8 | H9 | 118.4° | 120.0° |
| C17 | C16 | H14 | H15 | 116.9° | 120.1° |
| C16 | C15 | C14 | H6 | 120.6° | 120.0° |
| C16 | C15 | C14 | H7 | 120.5° | 120.0° |
| C16 | C15 | C14 | N2 | 163.3° | 180.0° |
| C16 | C15 | C14 | H4 | 76.2° | 60.0° |
| C16 | C15 | C14 | H5 | 42.9° | 60.0° |
| C16 | C15 | H6 | H7 | 118.3° | 120.1° |
| C15 | C16 | C17 | H8 | 69.2° | 60.0° |
| C15 | C16 | C17 | H9 | 49.8° | 60.0° |
| C15 | C16 | H14 | H15 | 116.9° | 120.0° |
| C15 | C14 | N2 | H4 | 120.4° | 120.0° |
| C15 | C14 | N2 | H5 | 120.4° | 120.0° |
| C15 | C14 | N2 | C13 | 178.3° | 180.0° |
| C15 | C14 | H4 | H5 | 118.6° | 120.0° |
| C14 | C15 | H6 | H7 | 118.3° | 120.0° |
| C14 | C15 | C16 | H14 | 51.9° | 60.0° |
| C14 | C15 | C16 | H15 | 66.1° | 60.0° |
| C15 | C14 | N2 | H38 | 1.7° | 0.0° |
| C14 | N2 | C13 | H38 | 180.0° | 180.0° |
| C14 | N2 | C13 | O3 | 3.6° | 0.0° |
| C14 | N2 | C13 | C5 | 175.8° | 180.0° |
| N2 | C14 | H4 | H5 | 118.6° | 120.0° |
| N2 | C14 | C15 | H6 | 42.7° | 60.0° |
| N2 | C14 | C15 | H7 | 76.1° | 60.0° |
| N2 | C13 | O3 | C5 | 179.4° | 180.0° |
| N2 | C13 | C5 | C6 | 70.7° | 80.0° |
| N2 | C13 | C5 | N1 | 165.5° | 160.0° |
| C13 | N2 | C14 | H4 | 61.3° | 60.0° |
| C13 | N2 | C14 | H5 | 57.8° | 60.0° |
| N2 | C13 | C5 | H32 | 46.6° | 40.0° |
| O3 | C13 | C5 | C6 | 109.9° | 100.0° |
| O3 | C13 | C5 | N1 | 14.0° | 20.0° |
| O3 | C13 | C5 | H32 | 132.8° | 139.9° |
| O3 | C13 | N2 | H38 | 176.4° | 180.0° |
| C13 | C5 | C6 | N1 | 124.6° | 120.0° |
| C13 | C5 | C6 | H32 | 117.3° | 120.0° |
| C13 | C5 | N1 | H32 | 118.3° | 120.0° |
| C13 | C5 | C6 | C7 | 68.9° | 175.0° |
| C13 | C5 | N1 | C4 | 120.8° | 60.0° |
| C13 | C5 | C6 | H33 | 170.3° | 65.0° |
| C13 | C5 | C6 | H34 | 52.0° | 55.0° |
| C13 | C5 | N1 | H37 | 59.2° | 120.0° |
| C5 | C13 | N2 | H38 | 4.2° | 0.0° |
| C6 | C5 | N1 | H32 | 117.5° | 120.0° |
| C5 | C6 | C7 | C12 | 92.5° | 90.3° |
| C5 | C6 | C7 | H33 | 120.8° | 120.0° |
| C5 | C6 | C7 | H34 | 120.9° | 120.0° |
| C5 | C6 | C7 | C8 | 88.3° | 90.0° |
| C6 | C5 | N1 | C4 | 114.9° | 60.0° |
| C5 | C6 | H33 | H34 | 117.4° | 120.0° |
| C6 | C5 | N1 | H37 | 65.0° | 120.0° |
| N1 | C5 | C6 | C7 | 55.7° | 65.0° |
| C5 | N1 | C4 | H37 | 180.0° | 180.0° |
| C5 | N1 | C4 | O1 | 2.9° | 0.0° |
| C5 | N1 | C4 | C3 | 176.5° | 180.0° |
| N1 | C5 | C6 | H33 | 65.1° | 55.0° |
| N1 | C5 | C6 | H34 | 176.6° | 175.0° |
| C11 | C12 | C7 | H13 | 180.0° | 179.9° |
| C11 | C12 | C7 | C6 | 179.8° | 179.6° |
| C12 | C11 | C10 | H1 | 180.0° | 179.9° |
| C11 | C12 | C7 | C8 | 0.6° | 0.1° |
| C12 | C11 | C10 | O2 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 0.0° | 0.1° |
| C12 | C7 | C6 | C8 | 179.2° | 179.7° |
| C7 | C12 | C11 | C10 | 0.2° | 0.1° |
| C12 | C7 | C8 | C9 | 0.8° | 0.0° |
| C7 | C12 | C11 | H1 | 179.8° | 180.0° |
| C12 | C7 | C6 | H33 | 146.7° | 29.7° |
| C12 | C7 | C6 | H34 | 28.3° | 149.7° |
| C12 | C7 | C8 | H35 | 179.2° | 180.0° |
| C6 | C7 | C8 | C9 | 180.0° | 179.7° |
| C6 | C7 | C12 | H13 | 0.2° | 0.3° |
| C7 | C6 | C5 | H32 | 173.8° | 55.0° |
| C7 | C6 | H33 | H34 | 117.4° | 120.1° |
| C6 | C7 | C8 | H35 | 0.0° | 0.3° |
| C11 | C10 | O2 | C9 | 179.9° | 180.0° |
| C11 | C10 | C9 | C8 | 0.1° | 0.0° |
| C10 | C11 | C12 | H13 | 179.8° | 180.0° |
| C11 | C10 | C9 | H36 | 179.9° | 179.9° |
| C11 | C10 | O2 | H44 | 180.0° | 90.0° |
| C7 | C8 | C9 | C10 | 0.5° | 0.1° |
| C7 | C8 | C9 | H35 | 180.0° | 179.9° |
| C8 | C7 | C12 | H13 | 179.4° | 180.0° |
| C8 | C7 | C6 | H33 | 32.5° | 150.0° |
| C8 | C7 | C6 | H34 | 150.8° | 30.0° |
| C7 | C8 | C9 | H36 | 179.5° | 180.0° |
| N1 | C4 | O1 | C3 | 179.3° | 180.0° |
| N1 | C4 | C3 | C2 | 114.1° | 180.0° |
| N1 | C4 | C3 | H30 | 6.3° | 60.0° |
| N1 | C4 | C3 | H31 | 125.4° | 60.0° |
| C4 | N1 | C5 | H32 | 2.5° | 180.0° |
| O1 | C4 | C3 | C2 | 65.2° | 0.0° |
| O1 | C4 | C3 | H30 | 174.4° | 120.0° |
| O1 | C4 | C3 | H31 | 55.2° | 120.0° |
| O1 | C4 | N1 | H37 | 177.2° | 180.0° |
| C4 | C3 | C2 | H30 | 120.4° | 120.0° |
| C4 | C3 | C2 | H31 | 120.5° | 120.0° |
| C4 | C3 | C2 | C1 | 58.4° | 180.0° |
| C4 | C3 | C2 | H18 | 178.8° | 60.0° |
| C4 | C3 | C2 | H19 | 62.0° | 60.0° |
| C4 | C3 | H30 | H31 | 118.7° | 120.0° |
| C3 | C4 | N1 | H37 | 3.5° | 0.0° |
| O2 | C10 | C9 | C8 | 179.8° | 180.0° |
| O2 | C10 | C11 | H1 | 0.0° | 0.0° |
| O2 | C10 | C9 | H36 | 0.2° | 0.1° |
| C10 | C9 | C8 | H36 | 180.0° | 179.9° |
| C9 | C10 | C11 | H1 | 180.0° | 179.9° |
| C10 | C9 | C8 | H35 | 179.5° | 180.0° |
| C9 | C10 | O2 | H44 | 0.1° | 90.0° |
| C3 | C2 | C1 | H18 | 120.4° | 120.0° |
| C3 | C2 | C1 | H19 | 120.4° | 119.9° |
| C3 | C2 | C1 | H10 | 180.0° | 59.9° |
| C3 | C2 | C1 | H11 | 60.0° | 180.0° |
| C3 | C2 | C1 | H12 | 60.0° | 60.0° |
| C3 | C2 | H18 | H19 | 118.7° | 120.0° |
| C2 | C3 | H30 | H31 | 118.6° | 120.0° |
| C2 | C1 | H10 | H11 | 120.0° | 120.1° |
| C2 | C1 | H10 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 120.0° | 119.9° |
| C1 | C2 | H18 | H19 | 118.7° | 120.0° |
| C1 | C2 | C3 | H30 | 62.1° | 60.0° |
| C1 | C2 | C3 | H31 | 178.8° | 60.1° |
| H1 | C11 | C12 | H13 | 0.2° | 0.1° |
| H2 | C18 | C17 | H8 | 162.5° | 60.1° |
| H2 | C18 | C17 | H9 | 78.6° | 180.0° |
| H2 | C18 | C19 | H16 | 88.0° | 180.0° |
| H2 | C18 | C19 | H17 | 29.9° | 60.1° |
| H3 | C18 | C17 | H8 | 43.5° | 180.0° |
| H3 | C18 | C17 | H9 | 162.5° | 60.0° |
| H3 | C18 | C19 | H16 | 153.1° | 60.1° |
| H3 | C18 | C19 | H17 | 89.0° | 179.9° |
| H4 | C14 | C15 | H6 | 163.2° | 60.0° |
| H4 | C14 | C15 | H7 | 44.3° | 180.0° |
| H4 | C14 | N2 | H38 | 118.7° | 120.0° |
| H5 | C14 | C15 | H6 | 77.7° | NaN° |
| H5 | C14 | C15 | H7 | 163.4° | 60.0° |
| H5 | C14 | N2 | H38 | 122.2° | 120.0° |
| H6 | C15 | C16 | H14 | 172.5° | 180.0° |
| H6 | C15 | C16 | H15 | 54.4° | 60.0° |
| H7 | C15 | C16 | H14 | 68.6° | 60.0° |
| H7 | C15 | C16 | H15 | 173.3° | 179.9° |
| H8 | C17 | C16 | H14 | 169.8° | 60.0° |
| H8 | C17 | C16 | H15 | 51.8° | 180.0° |
| H9 | C17 | C16 | H14 | 71.2° | 179.9° |
| H9 | C17 | C16 | H15 | 170.8° | 60.0° |
| H10 | C1 | H11 | H12 | 119.9° | 120.0° |
| H10 | C1 | C2 | H18 | 59.6° | 179.9° |
| H10 | C1 | C2 | H19 | 59.6° | 60.0° |
| H11 | C1 | C2 | H18 | 179.6° | 60.0° |
| H11 | C1 | C2 | H19 | 60.4° | 60.1° |
| H12 | C1 | C2 | H18 | 60.4° | 60.0° |
| H12 | C1 | C2 | H19 | 179.6° | 180.0° |
| H16 | C19 | C20 | H20 | 81.9° | 180.0° |
| H16 | C19 | C20 | H21 | 37.4° | 60.1° |
| H17 | C19 | C20 | H20 | 160.2° | 60.0° |
| H17 | C19 | C20 | H21 | 80.5° | 180.0° |
| H18 | C2 | C3 | H30 | 58.4° | 180.0° |
| H18 | C2 | C3 | H31 | 60.7° | 59.9° |
| H19 | C2 | C3 | H30 | 177.5° | 59.9° |
| H19 | C2 | C3 | H31 | 58.4° | 180.0° |
| H20 | C20 | N3 | H39 | 61.1° | 63.9° |
| H21 | C20 | N3 | H39 | 179.6° | 176.1° |
| H22 | C21 | C22 | H24 | 179.0° | 60.0° |
| H22 | C21 | C22 | H25 | 62.0° | NaN° |
| H22 | C21 | N3 | H39 | 63.9° | 176.0° |
| H23 | C21 | C22 | H24 | 59.8° | 180.0° |
| H23 | C21 | C22 | H25 | 178.8° | 60.0° |
| H23 | C21 | N3 | H39 | 55.3° | 63.9° |
| H24 | C22 | C23 | H26 | 179.4° | 180.0° |
| H24 | C22 | C23 | H27 | 62.1° | 60.1° |
| H25 | C22 | C23 | H26 | 60.3° | 60.0° |
| H25 | C22 | C23 | H27 | 178.8° | 179.9° |
| H26 | C23 | C24 | H28 | 178.3° | 180.0° |
| H26 | C23 | C24 | H29 | 59.7° | 60.0° |
| H27 | C23 | C24 | H28 | 63.2° | 60.1° |
| H27 | C23 | C24 | H29 | 178.2° | 180.0° |
| H28 | C24 | N4 | H41 | 59.3° | 64.0° |
| H28 | C24 | N4 | H42 | 60.7° | 60.0° |
| H29 | C24 | N4 | H41 | 59.3° | 176.0° |
| H29 | C24 | N4 | H42 | 179.3° | 60.0° |
| H32 | C5 | C6 | H33 | 53.0° | 175.0° |
| H32 | C5 | C6 | H34 | 65.3° | 65.0° |
| H32 | C5 | N1 | H37 | 177.5° | 0.0° |
| H35 | C8 | C9 | H36 | 0.5° | 0.1° |
