A1JCC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.51Å | 1.48Å | |
| O2 | C5 | doub | 1.22Å | 1.23Å | |
| C25 | N1 | sing | 1.47Å | 1.47Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C5 | N1 | sing | 1.35Å | 1.34Å | |
| C5 | C6 | sing | 1.47Å | 1.46Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| C23 | C6 | doub | 1.37Å | 1.36Å | Aromatic |
| C23 | O3 | sing | 1.34Å | 1.37Å | Aromatic |
| C26 | C2 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.47Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| O3 | C8 | sing | 1.35Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.54Å | 1.51Å | |
| C2 | O1 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | doub | 1.36Å | 1.35Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.45Å | |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | F1 | sing | 1.35Å | 1.36Å | |
| C11 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | N2 | sing | 1.40Å | 1.42Å | |
| C20 | C17 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| N2 | C14 | sing | 1.38Å | 1.29Å | |
| C14 | N4 | sing | 1.38Å | 1.35Å | |
| C14 | N3 | doub | 1.30Å | 1.32Å | |
| C21 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C15 | sing | 1.47Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| N3 | H23 | sing | 0.97Å | 1.00Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C6 | 134.9° | 125.6° |
| C24 | C23 | O3 | 115.8° | 125.7° |
| C23 | C24 | H16 | 109.5° | 109.5° |
| C23 | C24 | H17 | 109.4° | 109.4° |
| C23 | C24 | H18 | 109.5° | 109.5° |
| O2 | C5 | N1 | 120.1° | 120.0° |
| O2 | C5 | C6 | 118.0° | 120.0° |
| N1 | C25 | C26 | 110.5° | 108.8° |
| C25 | N1 | C5 | 123.3° | 120.6° |
| C25 | N1 | C4 | 113.0° | 118.7° |
| N1 | C25 | H19 | 109.2° | 109.5° |
| N1 | C25 | H20 | 109.2° | 109.6° |
| C25 | C26 | C2 | 110.4° | 109.3° |
| C26 | C25 | H19 | 109.2° | 109.6° |
| C26 | C25 | H20 | 109.2° | 109.6° |
| C25 | C26 | H21 | 109.3° | 109.5° |
| C25 | C26 | H22 | 109.2° | 109.4° |
| N1 | C5 | C6 | 121.9° | 120.0° |
| C5 | N1 | C4 | 123.7° | 120.6° |
| C5 | C6 | C23 | 130.0° | 127.1° |
| C5 | C6 | C7 | 123.3° | 127.1° |
| N1 | C4 | C3 | 110.6° | 108.8° |
| N1 | C4 | H8 | 109.2° | 109.5° |
| N1 | C4 | H9 | 109.2° | 109.6° |
| C6 | C23 | O3 | 109.3° | 108.7° |
| C23 | C6 | C7 | 106.7° | 105.8° |
| C23 | O3 | C8 | 107.3° | 110.9° |
| C26 | C2 | C3 | 110.6° | 109.5° |
| C26 | C2 | O1 | 111.1° | 109.3° |
| C26 | C2 | H5 | 107.1° | 109.7° |
| C2 | C26 | H21 | 109.2° | 109.5° |
| C2 | C26 | H22 | 109.2° | 109.5° |
| C6 | C7 | C8 | 107.4° | 105.9° |
| C6 | C7 | H10 | 126.3° | 127.1° |
| C4 | C3 | C2 | 110.2° | 109.1° |
| C4 | C3 | H6 | 109.3° | 109.6° |
| C4 | C3 | H7 | 109.3° | 109.6° |
| C3 | C4 | H8 | 109.2° | 109.6° |
| C3 | C4 | H9 | 109.2° | 109.6° |
| O3 | C8 | C7 | 109.2° | 108.8° |
| O3 | C8 | C9 | 117.2° | 125.6° |
| C3 | C2 | O1 | 112.3° | 109.5° |
| C3 | C2 | H5 | 107.1° | 109.5° |
| C2 | C3 | H6 | 109.3° | 109.5° |
| C2 | C3 | H7 | 109.3° | 109.5° |
| C2 | O1 | C1 | 115.3° | 114.0° |
| O1 | C2 | H5 | 108.3° | 109.4° |
| C7 | C8 | C9 | 133.5° | 125.6° |
| C8 | C7 | H10 | 126.3° | 127.0° |
| C8 | C9 | C10 | 120.8° | 120.1° |
| C8 | C9 | C22 | 119.4° | 120.1° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| C10 | C9 | C22 | 119.7° | 119.8° |
| C9 | C10 | C11 | 118.7° | 120.0° |
| C9 | C10 | H11 | 120.6° | 120.0° |
| C9 | C22 | C13 | 120.7° | 119.8° |
| C9 | C22 | H15 | 119.6° | 120.1° |
| C10 | C11 | F1 | 119.0° | 119.9° |
| C10 | C11 | C12 | 122.4° | 120.2° |
| C11 | C10 | H11 | 120.6° | 120.0° |
| C22 | C13 | C12 | 119.4° | 120.0° |
| C22 | C13 | N2 | 121.1° | 119.9° |
| C13 | C22 | H15 | 119.7° | 120.1° |
| F1 | C11 | C12 | 118.7° | 120.0° |
| C11 | C12 | C13 | 119.1° | 120.2° |
| C11 | C12 | H12 | 120.5° | 119.8° |
| C18 | C17 | C20 | 109.6° | 109.5° |
| C18 | C17 | C16 | 109.8° | 109.5° |
| C18 | C17 | C19 | 108.5° | 109.4° |
| C17 | C18 | H28 | 109.5° | 109.5° |
| C17 | C18 | H29 | 109.5° | 109.5° |
| C17 | C18 | H30 | 109.5° | 109.4° |
| C12 | C13 | N2 | 119.5° | 120.0° |
| C13 | C12 | H12 | 120.5° | 120.0° |
| C13 | N2 | C14 | 128.9° | 119.9° |
| C13 | N2 | H4 | 115.5° | 120.1° |
| C17 | C20 | C21 | 111.2° | 109.4° |
| C20 | C17 | C16 | 108.5° | 109.5° |
| C20 | C17 | C19 | 110.1° | 109.4° |
| C17 | C20 | H34 | 109.0° | 109.5° |
| C17 | C20 | H35 | 109.0° | 109.5° |
| C20 | C21 | N4 | 111.3° | 108.7° |
| C20 | C21 | H13 | 109.0° | 109.6° |
| C20 | C21 | H14 | 109.0° | 109.8° |
| C21 | C20 | H34 | 109.0° | 109.5° |
| C21 | C20 | H35 | 109.0° | 109.5° |
| C16 | C17 | C19 | 110.3° | 109.5° |
| C17 | C16 | C15 | 111.8° | 109.3° |
| C17 | C16 | H26 | 108.9° | 109.5° |
| C17 | C16 | H27 | 108.9° | 109.5° |
| C17 | C19 | H31 | 109.5° | 109.5° |
| C17 | C19 | H32 | 109.5° | 109.5° |
| C17 | C19 | H33 | 109.5° | 109.4° |
| C16 | C15 | N4 | 110.7° | 108.8° |
| C16 | C15 | H24 | 109.2° | 109.6° |
| C16 | C15 | H25 | 109.1° | 109.7° |
| C15 | C16 | H26 | 108.9° | 109.6° |
| C15 | C16 | H27 | 108.9° | 109.5° |
| N2 | C14 | N4 | 123.3° | 120.0° |
| N2 | C14 | N3 | 123.3° | 120.0° |
| C14 | N2 | H4 | 115.6° | 120.0° |
| N4 | C14 | N3 | 113.3° | 120.0° |
| C14 | N4 | C21 | 119.4° | 120.6° |
| C14 | N4 | C15 | 125.9° | 120.7° |
| C14 | N3 | H23 | 112.0° | 120.0° |
| C21 | N4 | C15 | 114.6° | 118.7° |
| N4 | C21 | H13 | 109.0° | 109.5° |
| N4 | C21 | H14 | 109.0° | 109.6° |
| N4 | C15 | H24 | 109.2° | 109.6° |
| N4 | C15 | H25 | 109.2° | 109.6° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.4° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.7° |
| H13 | C21 | H14 | 109.5° | 109.6° |
| H16 | C24 | H17 | 109.5° | 109.4° |
| H16 | C24 | H18 | 109.5° | 109.5° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.7° |
| H21 | C26 | H22 | 109.5° | 109.6° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| H28 | C18 | H29 | 109.5° | 109.5° |
| H28 | C18 | H30 | 109.4° | 109.5° |
| H29 | C18 | H30 | 109.5° | 109.5° |
| H31 | C19 | H32 | 109.5° | 109.5° |
| H31 | C19 | H33 | 109.5° | 109.4° |
| H32 | C19 | H33 | 109.5° | 109.5° |
| H34 | C20 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C6 | C5 | 0.1° | 0.0° |
| C24 | C23 | C6 | O3 | 180.0° | 179.8° |
| C24 | C23 | C6 | C7 | 180.0° | 179.8° |
| C24 | C23 | O3 | C8 | 179.4° | 179.7° |
| C23 | C24 | H16 | H17 | 120.0° | 119.9° |
| C23 | C24 | H16 | H18 | 120.0° | 120.1° |
| C23 | C24 | H17 | H18 | 120.0° | 120.0° |
| O2 | C5 | N1 | C25 | 1.9° | 177.0° |
| O2 | C5 | N1 | C6 | 177.8° | 180.0° |
| O2 | C5 | N1 | C4 | 179.0° | 3.3° |
| O2 | C5 | C6 | C23 | 118.4° | 22.7° |
| O2 | C5 | C6 | C7 | 61.6° | 157.5° |
| N1 | C25 | C26 | H19 | 120.2° | 119.7° |
| N1 | C25 | C26 | H20 | 120.1° | 119.8° |
| C25 | N1 | C5 | C4 | 179.1° | 179.8° |
| C25 | N1 | C5 | C6 | 176.0° | 3.1° |
| N1 | C25 | C26 | C2 | 55.7° | 54.6° |
| C25 | N1 | C4 | C3 | 57.7° | 53.8° |
| C25 | N1 | C4 | H8 | 62.5° | 66.0° |
| C25 | N1 | C4 | H9 | 177.8° | 173.6° |
| N1 | C25 | H19 | H20 | 119.5° | 120.3° |
| N1 | C25 | C26 | H21 | 64.5° | 174.6° |
| N1 | C25 | C26 | H22 | 175.8° | 65.3° |
| C26 | C25 | N1 | C5 | 121.8° | 126.7° |
| C26 | C25 | N1 | C4 | 57.4° | 53.6° |
| C25 | C26 | C2 | H21 | 120.2° | 119.9° |
| C25 | C26 | C2 | H22 | 120.1° | 119.9° |
| C25 | C26 | C2 | C3 | 55.7° | 61.5° |
| C25 | C26 | C2 | O1 | 178.9° | 178.6° |
| C25 | C26 | C2 | H5 | 60.8° | 58.6° |
| C26 | C25 | H19 | H20 | 119.6° | 120.4° |
| C25 | C26 | H21 | H22 | 119.6° | 120.0° |
| N1 | C5 | C6 | C23 | 63.7° | 157.3° |
| N1 | C5 | C6 | C7 | 116.3° | 22.5° |
| C5 | N1 | C4 | C3 | 121.5° | 126.4° |
| C5 | N1 | C4 | H8 | 118.3° | 113.8° |
| C5 | N1 | C4 | H9 | 1.3° | 6.6° |
| C5 | N1 | C25 | H19 | 1.6° | 6.8° |
| C5 | N1 | C25 | H20 | 118.1° | 113.5° |
| C6 | C5 | N1 | C4 | 3.1° | 176.7° |
| C5 | C6 | C23 | C7 | 180.0° | 179.8° |
| C5 | C6 | C23 | O3 | 179.9° | 179.8° |
| C5 | C6 | C7 | C8 | 179.3° | 180.0° |
| C5 | C6 | C7 | H10 | 0.7° | 0.0° |
| N1 | C4 | C3 | H8 | 120.2° | 119.7° |
| N1 | C4 | C3 | H9 | 120.2° | 119.8° |
| N1 | C4 | C3 | C2 | 56.0° | 54.9° |
| N1 | C4 | C3 | H6 | 176.1° | 65.0° |
| N1 | C4 | C3 | H7 | 64.2° | 174.8° |
| N1 | C4 | H8 | H9 | 119.5° | 120.4° |
| C4 | N1 | C25 | H19 | 177.6° | 173.4° |
| C4 | N1 | C25 | H20 | 62.7° | 66.2° |
| C6 | C23 | O3 | C8 | 0.6° | 0.4° |
| C23 | C6 | C7 | C8 | 0.7° | 0.2° |
| C23 | C6 | C7 | H10 | 179.3° | 179.7° |
| C6 | C23 | C24 | H16 | 180.0° | 90.0° |
| C6 | C23 | C24 | H17 | 60.0° | 150.0° |
| C6 | C23 | C24 | H18 | 59.9° | 30.0° |
| O3 | C23 | C6 | C7 | 0.0° | 0.4° |
| C23 | O3 | C8 | C7 | 1.0° | 0.3° |
| C23 | O3 | C8 | C9 | 178.7° | 179.7° |
| O3 | C23 | C24 | H16 | 0.0° | 89.8° |
| O3 | C23 | C24 | H17 | 120.0° | 30.2° |
| O3 | C23 | C24 | H18 | 120.0° | 150.2° |
| C26 | C2 | C3 | C4 | 55.7° | 61.6° |
| C26 | C2 | C3 | O1 | 124.8° | 119.8° |
| C26 | C2 | C3 | H5 | 116.4° | 120.2° |
| C26 | C2 | O1 | H5 | 117.4° | 120.1° |
| C26 | C2 | O1 | C1 | 96.1° | 90.1° |
| C26 | C2 | C3 | H6 | 175.9° | 58.4° |
| C26 | C2 | C3 | H7 | 64.4° | 178.4° |
| C2 | C26 | C25 | H19 | 175.8° | 174.4° |
| C2 | C26 | C25 | H20 | 64.5° | 65.2° |
| C2 | C26 | H21 | H22 | 119.5° | 120.1° |
| C6 | C7 | C8 | O3 | 1.0° | 0.0° |
| C6 | C7 | C8 | H10 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 178.2° | 180.0° |
| C4 | C3 | C2 | H6 | 120.1° | 120.0° |
| C4 | C3 | C2 | H7 | 120.1° | 120.0° |
| C4 | C3 | C2 | O1 | 179.5° | 178.6° |
| C4 | C3 | C2 | H5 | 60.7° | 58.6° |
| C4 | C3 | H6 | H7 | 119.6° | 120.3° |
| C3 | C4 | H8 | H9 | 119.5° | 120.4° |
| O3 | C8 | C7 | C9 | 177.2° | 180.0° |
| O3 | C8 | C9 | C10 | 1.4° | 180.0° |
| O3 | C8 | C9 | C22 | 179.5° | 0.2° |
| O3 | C8 | C7 | H10 | 178.9° | 180.0° |
| C3 | C2 | O1 | H5 | 118.1° | 120.0° |
| C3 | C2 | O1 | C1 | 28.4° | 150.0° |
| C2 | C3 | H6 | H7 | 119.7° | 120.0° |
| C2 | C3 | C4 | H8 | 64.2° | 64.8° |
| C2 | C3 | C4 | H9 | 176.1° | 174.7° |
| C3 | C2 | C26 | H21 | 64.5° | 178.6° |
| C3 | C2 | C26 | H22 | 175.8° | 58.4° |
| C2 | O1 | C1 | H1 | 180.0° | 180.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| O1 | C2 | C3 | H6 | 59.4° | 61.4° |
| O1 | C2 | C3 | H7 | 60.4° | 58.6° |
| O1 | C2 | C26 | H21 | 60.9° | 58.7° |
| O1 | C2 | C26 | H22 | 58.8° | 61.5° |
| C7 | C8 | C9 | C10 | 175.6° | 0.0° |
| C7 | C8 | C9 | C22 | 2.5° | 179.8° |
| C8 | C9 | C10 | C22 | 178.1° | 179.8° |
| C8 | C9 | C10 | C11 | 178.8° | 180.0° |
| C8 | C9 | C22 | C13 | 178.1° | 179.7° |
| C9 | C8 | C7 | H10 | 1.8° | 0.0° |
| C8 | C9 | C10 | H11 | 1.2° | 0.0° |
| C8 | C9 | C22 | H15 | 2.0° | 0.1° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | O1 | C2 | H5 | 146.4° | 30.0° |
| C9 | C10 | C11 | H11 | 180.0° | 180.0° |
| C10 | C9 | C22 | C13 | 0.1° | 0.5° |
| C9 | C10 | C11 | F1 | 179.6° | 180.0° |
| C9 | C10 | C11 | C12 | 0.9° | 0.1° |
| C10 | C9 | C22 | H15 | 179.9° | 179.7° |
| C22 | C9 | C10 | C11 | 0.7° | 0.2° |
| C9 | C22 | C13 | H15 | 180.0° | 179.8° |
| C9 | C22 | C13 | C12 | 0.7° | 0.5° |
| C9 | C22 | C13 | N2 | 179.6° | 180.0° |
| C22 | C9 | C10 | H11 | 179.4° | 179.8° |
| C10 | C11 | F1 | C12 | 179.6° | 179.9° |
| C10 | C11 | C12 | C13 | 0.3° | 0.1° |
| C10 | C11 | C12 | H12 | 179.7° | 180.0° |
| C22 | C13 | C12 | C11 | 0.5° | 0.2° |
| C22 | C13 | C12 | N2 | 179.7° | 179.5° |
| C22 | C13 | N2 | C14 | 18.1° | 145.6° |
| C22 | C13 | N2 | H4 | 161.9° | 34.3° |
| C22 | C13 | C12 | H12 | 179.5° | 179.7° |
| F1 | C11 | C12 | C13 | 179.8° | 180.0° |
| F1 | C11 | C10 | H11 | 0.4° | 0.0° |
| F1 | C11 | C12 | H12 | 0.1° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | N2 | 179.8° | 179.7° |
| C12 | C11 | C10 | H11 | 179.2° | 179.9° |
| C18 | C17 | C20 | C16 | 119.8° | 120.1° |
| C18 | C17 | C20 | C19 | 119.3° | 119.9° |
| C18 | C17 | C20 | C21 | 175.5° | 178.6° |
| C18 | C17 | C16 | C19 | 119.6° | 120.0° |
| C18 | C17 | C16 | C15 | 175.4° | 178.6° |
| C18 | C17 | C16 | H26 | 64.2° | 61.4° |
| C18 | C17 | C16 | H27 | 55.1° | 58.6° |
| C17 | C18 | H28 | H29 | 120.0° | 120.0° |
| C17 | C18 | H28 | H30 | 120.0° | 120.0° |
| C17 | C18 | H29 | H30 | 120.0° | 119.9° |
| C18 | C17 | C19 | H31 | 180.0° | 179.9° |
| C18 | C17 | C19 | H32 | 60.0° | 60.0° |
| C18 | C17 | C19 | H33 | 60.0° | 60.0° |
| C18 | C17 | C20 | H34 | 55.3° | 58.6° |
| C18 | C17 | C20 | H35 | 64.2° | 61.5° |
| C12 | C13 | N2 | C14 | 162.2° | 33.9° |
| C12 | C13 | N2 | H4 | 17.8° | 146.1° |
| C12 | C13 | C22 | H15 | 179.3° | 179.7° |
| C13 | N2 | C14 | H4 | 180.0° | 179.9° |
| C13 | N2 | C14 | N4 | 41.0° | 174.0° |
| C13 | N2 | C14 | N3 | 141.7° | 6.0° |
| N2 | C13 | C12 | H12 | 0.2° | 0.2° |
| N2 | C13 | C22 | H15 | 0.4° | 0.2° |
| C17 | C20 | C21 | H34 | 120.2° | 120.0° |
| C17 | C20 | C21 | H35 | 120.2° | 120.0° |
| C20 | C17 | C16 | C19 | 120.7° | 120.0° |
| C20 | C17 | C16 | C15 | 55.7° | 61.4° |
| C17 | C20 | C21 | N4 | 55.3° | 54.6° |
| C17 | C20 | C21 | H13 | 175.6° | 65.1° |
| C17 | C20 | C21 | H14 | 65.0° | 174.5° |
| C20 | C17 | C16 | H26 | 176.1° | 58.6° |
| C20 | C17 | C16 | H27 | 64.7° | 178.7° |
| C20 | C17 | C18 | H28 | 180.0° | 179.9° |
| C20 | C17 | C18 | H29 | 60.0° | 59.9° |
| C20 | C17 | C18 | H30 | 60.0° | 60.1° |
| C20 | C17 | C19 | H31 | 60.1° | 60.1° |
| C20 | C17 | C19 | H32 | 59.9° | 60.0° |
| C20 | C17 | C19 | H33 | 180.0° | 179.9° |
| C17 | C20 | H34 | H35 | 119.2° | 120.1° |
| C21 | C20 | C17 | C16 | 55.7° | 61.3° |
| C21 | C20 | C17 | C19 | 65.2° | 58.7° |
| C20 | C21 | N4 | C14 | 128.4° | 126.4° |
| C20 | C21 | N4 | H13 | 120.3° | 119.7° |
| C20 | C21 | N4 | H14 | 120.3° | 120.0° |
| C20 | C21 | N4 | C15 | 54.9° | 53.6° |
| C20 | C21 | H13 | H14 | 119.2° | 120.5° |
| C21 | C20 | H34 | H35 | 119.2° | 120.0° |
| C17 | C16 | C15 | H26 | 120.4° | 119.9° |
| C17 | C16 | C15 | H27 | 120.4° | 119.9° |
| C17 | C16 | C15 | N4 | 54.7° | 54.7° |
| C17 | C16 | C15 | H24 | 65.5° | 174.5° |
| C17 | C16 | C15 | H25 | 174.9° | 65.2° |
| C17 | C16 | H26 | H27 | 118.9° | 120.0° |
| C16 | C17 | C18 | H28 | 60.9° | 60.0° |
| C16 | C17 | C18 | H29 | 179.0° | 180.0° |
| C16 | C17 | C18 | H30 | 59.1° | 60.0° |
| C16 | C17 | C19 | H31 | 59.7° | 59.9° |
| C16 | C17 | C19 | H32 | 179.7° | 180.0° |
| C16 | C17 | C19 | H33 | 60.3° | 60.0° |
| C16 | C17 | C20 | H34 | 64.6° | 178.7° |
| C16 | C17 | C20 | H35 | 175.9° | 58.6° |
| C19 | C17 | C16 | C15 | 65.0° | 58.6° |
| C19 | C17 | C16 | H26 | 55.3° | 178.6° |
| C19 | C17 | C16 | H27 | 174.6° | 61.4° |
| C19 | C17 | C18 | H28 | 59.7° | 60.0° |
| C19 | C17 | C18 | H29 | 60.3° | 60.0° |
| C19 | C17 | C18 | H30 | 179.7° | 180.0° |
| C17 | C19 | H31 | H32 | 120.0° | 120.0° |
| C17 | C19 | H31 | H33 | 120.0° | 119.9° |
| C17 | C19 | H32 | H33 | 120.0° | 120.0° |
| C19 | C17 | C20 | H34 | 174.6° | 61.3° |
| C19 | C17 | C20 | H35 | 55.1° | 178.6° |
| C16 | C15 | N4 | C14 | 129.2° | 126.4° |
| C16 | C15 | N4 | C21 | 54.3° | 53.6° |
| C16 | C15 | N4 | H24 | 120.2° | 119.8° |
| C16 | C15 | N4 | H25 | 120.2° | 120.0° |
| C16 | C15 | H24 | H25 | 119.4° | 120.5° |
| C15 | C16 | H26 | H27 | 118.9° | 120.1° |
| N2 | C14 | N4 | N3 | 177.6° | 179.9° |
| N2 | C14 | N4 | C21 | 160.4° | 174.2° |
| N2 | C14 | N4 | C15 | 23.3° | 5.8° |
| N2 | C14 | N3 | H23 | 177.6° | 174.5° |
| C14 | N4 | C21 | C15 | 176.7° | 180.0° |
| N4 | C14 | N2 | H4 | 139.0° | 6.1° |
| C14 | N4 | C21 | H13 | 8.1° | 113.8° |
| C14 | N4 | C21 | H14 | 111.4° | 6.5° |
| N4 | C14 | N3 | H23 | 0.0° | 5.4° |
| C14 | N4 | C15 | H24 | 110.6° | 6.6° |
| C14 | N4 | C15 | H25 | 9.1° | 113.6° |
| N3 | C14 | N4 | C21 | 22.0° | 5.9° |
| N3 | C14 | N4 | C15 | 154.3° | 174.1° |
| N3 | C14 | N2 | H4 | 38.4° | 174.0° |
| N4 | C21 | H13 | H14 | 119.2° | 120.3° |
| C21 | N4 | C15 | H24 | 65.9° | 173.4° |
| C21 | N4 | C15 | H25 | 174.5° | 66.4° |
| N4 | C21 | C20 | H34 | 64.9° | 174.6° |
| N4 | C21 | C20 | H35 | 175.5° | 65.4° |
| C15 | N4 | C21 | H13 | 175.2° | 66.2° |
| C15 | N4 | C21 | H14 | 65.4° | 173.5° |
| N4 | C15 | H24 | H25 | 119.5° | 120.2° |
| N4 | C15 | C16 | H26 | 175.1° | 65.3° |
| N4 | C15 | C16 | H27 | 65.7° | 174.6° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C2 | C3 | H6 | 59.4° | 178.6° |
| H5 | C2 | C3 | H7 | 179.2° | 61.4° |
| H5 | C2 | C26 | H21 | 179.1° | 61.3° |
| H5 | C2 | C26 | H22 | 59.4° | 178.5° |
| H6 | C3 | C4 | H8 | 55.9° | 175.2° |
| H6 | C3 | C4 | H9 | 63.8° | 54.8° |
| H7 | C3 | C4 | H8 | 175.6° | 55.0° |
| H7 | C3 | C4 | H9 | 56.0° | 65.4° |
| H13 | C21 | C20 | H34 | 55.3° | 54.9° |
| H13 | C21 | C20 | H35 | 64.2° | 174.9° |
| H14 | C21 | C20 | H34 | 174.8° | 65.5° |
| H14 | C21 | C20 | H35 | 55.3° | 54.5° |
| H16 | C24 | H17 | H18 | 120.0° | 120.0° |
| H19 | C25 | C26 | H21 | 55.7° | 65.6° |
| H19 | C25 | C26 | H22 | 64.1° | 54.4° |
| H20 | C25 | C26 | H21 | 175.4° | 54.8° |
| H20 | C25 | C26 | H22 | 55.6° | 174.9° |
| H24 | C15 | C16 | H26 | 54.9° | 54.5° |
| H24 | C15 | C16 | H27 | 174.1° | 65.6° |
| H25 | C15 | C16 | H26 | 64.8° | 174.8° |
| H25 | C15 | C16 | H27 | 54.5° | 54.7° |
| H28 | C18 | H29 | H30 | 120.0° | 120.0° |
| H31 | C19 | H32 | H33 | 120.0° | 120.0° |
