EC4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C3 | sing | 1.37Å | 1.40Å | Aromatic |
| N1 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.34Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C24 | C11 | sing | 1.53Å | 1.54Å | |
| O | C10 | doub | 1.21Å | 1.24Å | |
| C23 | N3 | sing | 1.47Å | 1.51Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C9 | sing | 1.41Å | 1.43Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| C2 | C9 | sing | 1.46Å | 1.44Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.56Å | |
| C11 | N2 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | N2 | sing | 1.35Å | 1.39Å | |
| C10 | C | sing | 1.51Å | 1.54Å | |
| N3 | C14 | sing | 1.47Å | 1.51Å | |
| N3 | C13 | sing | 1.47Å | 1.51Å | |
| C9 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.49Å | |
| C | N | sing | 1.47Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C6 | CL | sing | 1.74Å | 1.73Å | |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C15 | doub | 1.34Å | 1.38Å | Aromatic |
| C16 | N4 | sing | 1.37Å | 1.41Å | Aromatic |
| C15 | C22 | sing | 1.46Å | 1.43Å | Aromatic |
| C8 | C7 | sing | 1.37Å | 1.39Å | Aromatic |
| N4 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C17 | doub | 1.41Å | 1.44Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.37Å | 1.37Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | CL1 | sing | 1.74Å | 1.74Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| N | H11 | sing | 1.01Å | 1.00Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.08Å | 1.08Å | |
| N2 | H28 | sing | 0.97Å | 1.00Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | C4 | 108.0° | 109.9° |
| N1 | C3 | C2 | 109.4° | 109.9° |
| C3 | N1 | H1 | 126.0° | 125.1° |
| N1 | C3 | H27 | 125.3° | 125.0° |
| N1 | C4 | C5 | 129.5° | 133.5° |
| N1 | C4 | C9 | 108.5° | 107.1° |
| C4 | N1 | H1 | 126.0° | 125.0° |
| C3 | C2 | C1 | 126.0° | 126.5° |
| C3 | C2 | C9 | 107.7° | 107.0° |
| C2 | C3 | H27 | 125.3° | 125.0° |
| C23 | C24 | C11 | 109.2° | 109.3° |
| C24 | C23 | N3 | 109.9° | 109.5° |
| C23 | C24 | H9 | 109.5° | 109.5° |
| C23 | C24 | H10 | 109.6° | 109.5° |
| C24 | C23 | H25 | 109.4° | 109.5° |
| C24 | C23 | H26 | 109.4° | 109.4° |
| C24 | C11 | N2 | 108.9° | 109.5° |
| C24 | C11 | C12 | 107.5° | 109.2° |
| C11 | C24 | H9 | 109.6° | 109.5° |
| C11 | C24 | H10 | 109.5° | 109.5° |
| C24 | C11 | H17 | 109.9° | 109.5° |
| O | C10 | N2 | 122.0° | 120.0° |
| O | C10 | C | 120.9° | 120.0° |
| C23 | N3 | C14 | 109.5° | 111.0° |
| C23 | N3 | C13 | 111.4° | 111.2° |
| N3 | C23 | H25 | 109.4° | 109.4° |
| N3 | C23 | H26 | 109.4° | 109.5° |
| C5 | C4 | C9 | 122.0° | 119.4° |
| C4 | C5 | C6 | 115.5° | 119.8° |
| C4 | C5 | H3 | 122.2° | 120.2° |
| C4 | C9 | C2 | 106.4° | 106.1° |
| C4 | C9 | C8 | 119.9° | 119.9° |
| C1 | C2 | C9 | 126.3° | 126.5° |
| C2 | C1 | C | 111.8° | 109.5° |
| C2 | C1 | H15 | 108.9° | 109.5° |
| C2 | C1 | H16 | 108.9° | 109.5° |
| C2 | C9 | C8 | 133.7° | 134.0° |
| C5 | C6 | CL | 116.8° | 119.7° |
| C5 | C6 | C7 | 124.9° | 120.6° |
| C6 | C5 | H3 | 122.3° | 120.1° |
| C1 | C | C10 | 107.2° | 109.5° |
| C1 | C | N | 113.5° | 109.5° |
| C1 | C | H14 | 109.3° | 109.5° |
| C | C1 | H15 | 108.9° | 109.4° |
| C | C1 | H16 | 108.9° | 109.4° |
| N2 | C11 | C12 | 109.7° | 109.5° |
| C11 | N2 | C10 | 121.5° | 120.0° |
| N2 | C11 | H17 | 110.9° | 109.5° |
| C11 | N2 | H28 | 119.3° | 120.0° |
| C11 | C12 | C13 | 108.4° | 109.2° |
| C12 | C11 | H17 | 109.9° | 109.6° |
| C11 | C12 | H18 | 109.7° | 109.5° |
| C11 | C12 | H19 | 109.8° | 109.5° |
| N2 | C10 | C | 117.1° | 120.0° |
| C10 | N2 | H28 | 119.3° | 120.0° |
| C10 | C | N | 106.6° | 109.5° |
| C10 | C | H14 | 109.6° | 109.4° |
| C14 | N3 | C13 | 109.9° | 111.0° |
| N3 | C14 | C15 | 111.6° | 109.4° |
| N3 | C14 | H20 | 108.9° | 109.5° |
| N3 | C14 | H21 | 108.9° | 109.5° |
| N3 | C13 | C12 | 110.2° | 109.5° |
| N3 | C13 | H6 | 109.3° | 109.5° |
| N3 | C13 | H7 | 109.3° | 109.4° |
| C9 | C8 | C7 | 118.7° | 119.8° |
| C9 | C8 | H5 | 120.7° | 120.1° |
| C14 | C15 | C16 | 128.0° | 126.4° |
| C14 | C15 | C22 | 124.7° | 126.5° |
| C15 | C14 | H20 | 108.9° | 109.5° |
| C15 | C14 | H21 | 108.9° | 109.5° |
| C | N | H11 | 109.5° | 111.0° |
| C | N | H12 | 109.5° | 111.0° |
| N | C | H14 | 110.6° | 109.5° |
| C12 | C13 | H6 | 109.3° | 109.5° |
| C12 | C13 | H7 | 109.3° | 109.4° |
| C13 | C12 | H18 | 109.7° | 109.5° |
| C13 | C12 | H19 | 109.7° | 109.5° |
| CL | C6 | C7 | 118.2° | 119.7° |
| C6 | C7 | C8 | 119.0° | 120.5° |
| C6 | C7 | H4 | 120.5° | 119.7° |
| C15 | C16 | N4 | 109.4° | 109.9° |
| C16 | C15 | C22 | 107.3° | 107.1° |
| C15 | C16 | H22 | 125.3° | 125.1° |
| C16 | N4 | C17 | 108.4° | 109.9° |
| N4 | C16 | H22 | 125.3° | 125.0° |
| C16 | N4 | H29 | 125.8° | 125.1° |
| C15 | C22 | C17 | 107.3° | 106.1° |
| C15 | C22 | C21 | 133.1° | 134.0° |
| C8 | C7 | H4 | 120.5° | 119.7° |
| C7 | C8 | H5 | 120.7° | 120.1° |
| N4 | C17 | C22 | 107.6° | 107.1° |
| N4 | C17 | C18 | 130.0° | 133.5° |
| C17 | N4 | H29 | 125.8° | 125.1° |
| C17 | C22 | C21 | 119.6° | 119.9° |
| C22 | C17 | C18 | 122.4° | 119.4° |
| C22 | C21 | C20 | 116.5° | 119.7° |
| C22 | C21 | H8 | 121.7° | 120.1° |
| C17 | C18 | C19 | 116.9° | 119.8° |
| C17 | C18 | H23 | 121.5° | 120.1° |
| C21 | C20 | C19 | 125.1° | 120.5° |
| C21 | C20 | CL1 | 117.3° | 119.7° |
| C20 | C21 | H8 | 121.7° | 120.1° |
| C18 | C19 | C20 | 119.5° | 120.7° |
| C19 | C18 | H23 | 121.5° | 120.1° |
| C18 | C19 | H24 | 120.3° | 119.7° |
| C19 | C20 | CL1 | 117.6° | 119.8° |
| C20 | C19 | H24 | 120.3° | 119.6° |
| H6 | C13 | H7 | 109.5° | 109.4° |
| H9 | C24 | H10 | 109.5° | 109.5° |
| H11 | N | H12 | 109.5° | 111.1° |
| H15 | C1 | H16 | 109.5° | 109.4° |
| H18 | C12 | H19 | 109.4° | 109.6° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N1 | C4 | H1 | 180.0° | 179.7° |
| N1 | C3 | C2 | H27 | 180.0° | 180.0° |
| C3 | N1 | C4 | C5 | 179.6° | 179.9° |
| C3 | N1 | C4 | C9 | 0.2° | 0.0° |
| N1 | C3 | C2 | C1 | 177.3° | 180.0° |
| N1 | C3 | C2 | C9 | 0.5° | 0.0° |
| C4 | N1 | C3 | C2 | 0.2° | 0.0° |
| N1 | C4 | C5 | C9 | 179.7° | 180.0° |
| N1 | C4 | C9 | C2 | 0.5° | 0.0° |
| N1 | C4 | C5 | C6 | 179.9° | 180.0° |
| N1 | C4 | C9 | C8 | 179.7° | 180.0° |
| N1 | C4 | C5 | H3 | 0.1° | 0.1° |
| C4 | N1 | C3 | H27 | 179.7° | 180.0° |
| C3 | C2 | C9 | C4 | 0.6° | 0.0° |
| C3 | C2 | C1 | C9 | 177.4° | 180.0° |
| C3 | C2 | C1 | C | 117.7° | 95.0° |
| C3 | C2 | C9 | C8 | 179.6° | 180.0° |
| C2 | C3 | N1 | H1 | 179.8° | 179.7° |
| C3 | C2 | C1 | H15 | 2.7° | 145.1° |
| C3 | C2 | C1 | H16 | 122.0° | 25.0° |
| C23 | C24 | C11 | H9 | 120.0° | 120.0° |
| C23 | C24 | C11 | H10 | 120.0° | 119.9° |
| C24 | C23 | N3 | H25 | 120.1° | 120.0° |
| C24 | C23 | N3 | H26 | 120.1° | 120.0° |
| C23 | C24 | C11 | N2 | 56.3° | 62.3° |
| C23 | C24 | C11 | C12 | 62.4° | 57.6° |
| C24 | C23 | N3 | C14 | 178.5° | 174.2° |
| C24 | C23 | N3 | C13 | 56.7° | 61.8° |
| C23 | C24 | H9 | H10 | 120.1° | 120.1° |
| C23 | C24 | C11 | H17 | 178.0° | 177.6° |
| C24 | C23 | H25 | H26 | 119.8° | 120.0° |
| C11 | C24 | C23 | N3 | 59.3° | 59.2° |
| C24 | C11 | N2 | C12 | 117.4° | 119.7° |
| C24 | C11 | N2 | H17 | 121.1° | 120.1° |
| C24 | C11 | C12 | H17 | 119.6° | 119.9° |
| C24 | C11 | N2 | C10 | 73.7° | 155.0° |
| C24 | C11 | C12 | C13 | 62.9° | 57.6° |
| C11 | C24 | H9 | H10 | 120.1° | 120.1° |
| C24 | C11 | C12 | H18 | 57.0° | 177.6° |
| C24 | C11 | C12 | H19 | 177.3° | 62.3° |
| C11 | C24 | C23 | H25 | 60.8° | 179.2° |
| C11 | C24 | C23 | H26 | 179.4° | 60.9° |
| C24 | C11 | N2 | H28 | 106.3° | 25.1° |
| O | C10 | C | C1 | 61.3° | 100.0° |
| O | C10 | N2 | C11 | 1.8° | 0.1° |
| O | C10 | N2 | C | 179.4° | 179.9° |
| O | C10 | C | N | 60.5° | 20.0° |
| O | C10 | C | H14 | 179.7° | 140.0° |
| O | C10 | N2 | H28 | 178.2° | 180.0° |
| C23 | N3 | C14 | C13 | 122.6° | 124.1° |
| C23 | N3 | C14 | C15 | 178.0° | 65.8° |
| C23 | N3 | C13 | C12 | 57.8° | 61.8° |
| C23 | N3 | C13 | H6 | 62.3° | 58.3° |
| C23 | N3 | C13 | H7 | 177.9° | 178.2° |
| N3 | C23 | C24 | H9 | 60.7° | 179.1° |
| N3 | C23 | C24 | H10 | 179.2° | 60.7° |
| C23 | N3 | C14 | H20 | 61.7° | 174.2° |
| C23 | N3 | C14 | H21 | 57.7° | 54.2° |
| N3 | C23 | H25 | H26 | 119.8° | 120.0° |
| C5 | C4 | C9 | C2 | 179.3° | 180.0° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C5 | C4 | C9 | C8 | 0.5° | 0.1° |
| C4 | C5 | C6 | CL | 178.9° | 180.0° |
| C4 | C5 | C6 | C7 | 0.4° | 0.0° |
| C5 | C4 | N1 | H1 | 0.4° | 0.3° |
| C4 | C9 | C2 | C1 | 177.2° | 180.0° |
| C4 | C9 | C2 | C8 | 179.8° | 180.0° |
| C9 | C4 | C5 | C6 | 0.1° | 0.1° |
| C4 | C9 | C8 | C7 | 0.4° | 0.0° |
| C9 | C4 | N1 | H1 | 179.8° | 179.7° |
| C9 | C4 | C5 | H3 | 179.9° | 179.9° |
| C4 | C9 | C8 | H5 | 179.6° | 180.0° |
| C2 | C1 | C | H15 | 120.3° | 120.0° |
| C2 | C1 | C | H16 | 120.3° | 120.1° |
| C2 | C1 | C | C10 | 57.0° | 175.0° |
| C1 | C2 | C9 | C8 | 2.6° | 0.0° |
| C2 | C1 | C | N | 174.5° | 65.0° |
| C2 | C1 | C | H14 | 61.6° | 55.0° |
| C2 | C1 | H15 | H16 | 118.9° | 120.1° |
| C1 | C2 | C3 | H27 | 2.7° | 0.0° |
| C9 | C2 | C1 | C | 64.9° | 85.0° |
| C2 | C9 | C8 | C7 | 179.4° | 180.0° |
| C2 | C9 | C8 | H5 | 0.7° | 0.0° |
| C9 | C2 | C1 | H15 | 174.7° | 35.0° |
| C9 | C2 | C1 | H16 | 55.4° | 155.0° |
| C9 | C2 | C3 | H27 | 179.5° | 180.0° |
| C5 | C6 | CL | C7 | 179.3° | 180.0° |
| C5 | C6 | C7 | C8 | 0.5° | 0.0° |
| C5 | C6 | C7 | H4 | 179.5° | 180.0° |
| C1 | C | C10 | N2 | 119.3° | 79.9° |
| C1 | C | C10 | N | 121.8° | 120.0° |
| C1 | C | C10 | H14 | 118.4° | 120.0° |
| C1 | C | N | H14 | 123.2° | 120.0° |
| C1 | C | N | H11 | 180.0° | 60.1° |
| C1 | C | N | H12 | 60.0° | 64.0° |
| C | C1 | H15 | H16 | 119.0° | 119.9° |
| N2 | C11 | C12 | H17 | 122.2° | 120.2° |
| C11 | N2 | C10 | H28 | 180.0° | 179.9° |
| C11 | N2 | C10 | C | 178.8° | 180.0° |
| N2 | C11 | C12 | C13 | 55.3° | 62.2° |
| N2 | C11 | C24 | H9 | 176.3° | 57.7° |
| N2 | C11 | C24 | H10 | 63.7° | 177.8° |
| N2 | C11 | C12 | H18 | 175.1° | 57.7° |
| N2 | C11 | C12 | H19 | 64.5° | 177.8° |
| C12 | C11 | N2 | C10 | 169.0° | 85.3° |
| C11 | C12 | C13 | N3 | 60.7° | 59.2° |
| C11 | C12 | C13 | H18 | 119.8° | 119.9° |
| C11 | C12 | C13 | H19 | 119.9° | 119.9° |
| C11 | C12 | C13 | H6 | 59.4° | 60.9° |
| C11 | C12 | C13 | H7 | 179.2° | 179.2° |
| C12 | C11 | C24 | H9 | 57.5° | 177.6° |
| C12 | C11 | C24 | H10 | 177.6° | 62.3° |
| C11 | C12 | H18 | H19 | 120.5° | 120.1° |
| C12 | C11 | N2 | H28 | 11.0° | 94.6° |
| N2 | C10 | C | N | 118.9° | 160.0° |
| N2 | C10 | C | H14 | 0.9° | 40.1° |
| C10 | N2 | C11 | H17 | 47.4° | 35.0° |
| C10 | C | N | H14 | 119.1° | 119.9° |
| C10 | C | N | H11 | 62.3° | 60.0° |
| C10 | C | N | H12 | 57.7° | 176.0° |
| C10 | C | C1 | H15 | 63.3° | 65.0° |
| C10 | C | C1 | H16 | 177.3° | 54.9° |
| C | C10 | N2 | H28 | 1.2° | 0.1° |
| N3 | C14 | C15 | H20 | 120.3° | 120.0° |
| N3 | C14 | C15 | H21 | 120.3° | 120.0° |
| C14 | N3 | C13 | C12 | 179.4° | 174.1° |
| N3 | C14 | C15 | C16 | 80.6° | 99.7° |
| N3 | C14 | C15 | C22 | 101.7° | 80.0° |
| C14 | N3 | C13 | H6 | 59.2° | 65.7° |
| C14 | N3 | C13 | H7 | 60.5° | 54.2° |
| N3 | C14 | H20 | H21 | 119.0° | 120.0° |
| C14 | N3 | C23 | H25 | 58.4° | 54.2° |
| C14 | N3 | C23 | H26 | 61.5° | 65.8° |
| C13 | N3 | C14 | C15 | 59.3° | 170.0° |
| N3 | C13 | C12 | H6 | 120.1° | 120.1° |
| N3 | C13 | C12 | H7 | 120.1° | 120.0° |
| N3 | C13 | H6 | H7 | 119.7° | 119.9° |
| N3 | C13 | C12 | H18 | 59.1° | 179.1° |
| N3 | C13 | C12 | H19 | 179.4° | 60.7° |
| C13 | N3 | C14 | H20 | 61.0° | 50.0° |
| C13 | N3 | C14 | H21 | 179.7° | 70.0° |
| C13 | N3 | C23 | H25 | 63.3° | 178.2° |
| C13 | N3 | C23 | H26 | 176.8° | 58.3° |
| C9 | C8 | C7 | C6 | 0.1° | 0.0° |
| C9 | C8 | C7 | H5 | 180.0° | 180.0° |
| C9 | C8 | C7 | H4 | 179.9° | 180.0° |
| C14 | C15 | C16 | C22 | 178.0° | 179.8° |
| C14 | C15 | C16 | N4 | 177.6° | 179.7° |
| C14 | C15 | C22 | C17 | 177.8° | 180.0° |
| C14 | C15 | C22 | C21 | 2.3° | 0.0° |
| C15 | C14 | H20 | H21 | 119.0° | 120.0° |
| C14 | C15 | C16 | H22 | 2.4° | 0.2° |
| C | N | H11 | H12 | 120.0° | 124.0° |
| N | C | C1 | H15 | 54.1° | 55.0° |
| N | C | C1 | H16 | 65.2° | 175.0° |
| C12 | C13 | H6 | H7 | 119.7° | 120.0° |
| C13 | C12 | C11 | H17 | 177.5° | 177.6° |
| C13 | C12 | H18 | H19 | 120.5° | 120.2° |
| CL | C6 | C7 | C8 | 178.8° | 180.0° |
| CL | C6 | C5 | H3 | 1.1° | 0.1° |
| CL | C6 | C7 | H4 | 1.2° | 0.0° |
| C6 | C7 | C8 | H4 | 180.0° | 179.9° |
| C7 | C6 | C5 | H3 | 179.6° | 179.9° |
| C6 | C7 | C8 | H5 | 180.0° | 180.0° |
| C15 | C16 | N4 | H22 | 180.0° | 179.9° |
| C15 | C16 | N4 | C17 | 0.3° | 0.3° |
| C16 | C15 | C22 | C17 | 0.3° | 0.2° |
| C16 | C15 | C22 | C21 | 179.6° | 179.8° |
| C16 | C15 | C14 | H20 | 159.1° | 140.3° |
| C16 | C15 | C14 | H21 | 39.8° | 20.3° |
| C15 | C16 | N4 | H29 | 179.7° | 180.0° |
| N4 | C16 | C15 | C22 | 0.4° | 0.0° |
| C16 | N4 | C17 | H29 | 180.0° | 179.7° |
| C16 | N4 | C17 | C22 | 0.1° | 0.4° |
| C16 | N4 | C17 | C18 | 179.9° | 180.0° |
| C15 | C22 | C17 | N4 | 0.2° | 0.4° |
| C15 | C22 | C17 | C21 | 180.0° | 180.0° |
| C15 | C22 | C17 | C18 | 179.8° | 180.0° |
| C15 | C22 | C21 | C20 | 180.0° | 180.0° |
| C15 | C22 | C21 | H8 | 0.0° | 0.0° |
| C22 | C15 | C14 | H20 | 18.6° | 40.0° |
| C22 | C15 | C14 | H21 | 137.9° | 160.0° |
| C22 | C15 | C16 | H22 | 179.6° | 180.0° |
| N4 | C17 | C22 | C18 | 180.0° | 179.6° |
| N4 | C17 | C22 | C21 | 179.8° | 179.6° |
| N4 | C17 | C18 | C19 | 180.0° | 179.5° |
| C17 | N4 | C16 | H22 | 179.7° | 179.8° |
| N4 | C17 | C18 | H23 | 0.1° | 0.5° |
| C17 | C22 | C21 | C20 | 0.1° | 0.0° |
| C22 | C17 | C18 | C19 | 0.0° | 0.0° |
| C17 | C22 | C21 | H8 | 179.9° | 180.0° |
| C22 | C17 | C18 | H23 | 180.0° | 180.0° |
| C22 | C17 | N4 | H29 | 179.9° | 179.9° |
| C21 | C22 | C17 | C18 | 0.2° | 0.0° |
| C22 | C21 | C20 | H8 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.3° | 0.0° |
| C22 | C21 | C20 | CL1 | 178.7° | 180.0° |
| C17 | C18 | C19 | H23 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.4° | 0.1° |
| C17 | C18 | C19 | H24 | 179.6° | 180.0° |
| C18 | C17 | N4 | H29 | 0.1° | 0.3° |
| C21 | C20 | C19 | C18 | 0.5° | 0.0° |
| C21 | C20 | C19 | CL1 | 179.0° | 180.0° |
| C21 | C20 | C19 | H24 | 179.5° | 180.0° |
| C18 | C19 | C20 | H24 | 180.0° | 179.9° |
| C18 | C19 | C20 | CL1 | 178.4° | 179.9° |
| C19 | C20 | C21 | H8 | 179.7° | 180.0° |
| C20 | C19 | C18 | H23 | 179.6° | 180.0° |
| CL1 | C20 | C21 | H8 | 1.3° | 0.1° |
| CL1 | C20 | C19 | H24 | 1.6° | 0.0° |
| H1 | N1 | C3 | H27 | 0.2° | 0.3° |
| H4 | C7 | C8 | H5 | 0.0° | 0.1° |
| H6 | C13 | C12 | H18 | 179.3° | 59.0° |
| H6 | C13 | C12 | H19 | 60.4° | 179.2° |
| H7 | C13 | C12 | H18 | 61.0° | 60.9° |
| H7 | C13 | C12 | H19 | 59.3° | 59.3° |
| H9 | C24 | C11 | H17 | 62.1° | 62.4° |
| H9 | C24 | C23 | H25 | 179.2° | 60.8° |
| H9 | C24 | C23 | H26 | 59.4° | 59.1° |
| H10 | C24 | C11 | H17 | 58.0° | 57.7° |
| H10 | C24 | C23 | H25 | 59.2° | 59.3° |
| H10 | C24 | C23 | H26 | 60.7° | 179.2° |
| H11 | N | C | H14 | 56.8° | 179.9° |
| H12 | N | C | H14 | 176.8° | 56.1° |
| H14 | C | C1 | H15 | 178.1° | 175.1° |
| H14 | C | C1 | H16 | 58.7° | 65.0° |
| H17 | C11 | C12 | H18 | 62.7° | 62.5° |
| H17 | C11 | C12 | H19 | 57.6° | 57.6° |
| H17 | C11 | N2 | H28 | 132.6° | 145.1° |
| H22 | C16 | N4 | H29 | 0.3° | 0.1° |
| H23 | C18 | C19 | H24 | 0.4° | 0.1° |
