JCA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | N5 | sing | 1.40Å | 1.40Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| N5 | C6 | sing | 1.39Å | 1.36Å | |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N6 | sing | 1.40Å | 1.40Å | |
| N4 | C6 | doub | 1.30Å | 1.30Å | Aromatic |
| N4 | C5 | sing | 1.33Å | 1.39Å | Aromatic |
| C6 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| N3 | C4 | sing | 1.39Å | 1.35Å | |
| N2 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| N2 | C1 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C1 | sing | 1.48Å | 1.44Å | |
| C5 | C7 | doub | 1.35Å | 1.37Å | Aromatic |
| C1 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| N6 | C15 | sing | 1.35Å | 1.34Å | |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| S1 | C7 | sing | 1.76Å | 1.72Å | Aromatic |
| C27 | N8 | sing | 1.47Å | 1.46Å | |
| N8 | C24 | sing | 1.47Å | 1.46Å | |
| N8 | C25 | sing | 1.47Å | 1.46Å | |
| C15 | C16 | sing | 1.48Å | 1.50Å | |
| C15 | O1 | doub | 1.22Å | 1.24Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | N7 | sing | 1.47Å | 1.47Å | |
| C17 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | N7 | sing | 1.47Å | 1.46Å | |
| N7 | C22 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C22 | sing | 1.51Å | 1.51Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| N6 | H22 | sing | 0.97Å | 1.00Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 119.8° | 119.9° |
| C14 | C13 | C8 | 121.9° | 120.0° |
| C13 | C14 | H19 | 109.5° | 109.5° |
| C13 | C14 | H20 | 109.5° | 109.5° |
| C13 | C14 | H21 | 109.5° | 109.5° |
| C13 | C12 | C11 | 121.2° | 120.1° |
| C12 | C13 | C8 | 118.3° | 120.1° |
| C13 | C12 | H18 | 119.4° | 120.0° |
| C12 | C11 | C10 | 119.9° | 120.1° |
| C12 | C11 | H17 | 120.1° | 120.0° |
| C11 | C12 | H18 | 119.4° | 119.9° |
| C13 | C8 | N5 | 118.4° | 120.0° |
| C13 | C8 | C9 | 121.2° | 119.9° |
| C11 | C10 | C9 | 120.6° | 119.9° |
| C11 | C10 | N6 | 114.5° | 120.0° |
| C10 | C11 | H17 | 120.1° | 119.9° |
| N5 | C8 | C9 | 120.4° | 120.1° |
| C8 | N5 | C6 | 128.4° | 120.0° |
| C8 | N5 | H15 | 115.8° | 120.0° |
| C8 | C9 | C10 | 118.9° | 119.9° |
| C8 | C9 | H16 | 120.6° | 120.1° |
| N5 | C6 | N4 | 120.2° | 125.3° |
| N5 | C6 | S1 | 124.2° | 125.2° |
| C6 | N5 | H15 | 115.8° | 120.0° |
| C9 | C10 | N6 | 124.9° | 120.1° |
| C10 | C9 | H16 | 120.6° | 120.1° |
| C10 | N6 | C15 | 127.5° | 120.0° |
| C10 | N6 | H22 | 116.2° | 120.0° |
| C6 | N4 | C5 | 110.4° | 116.8° |
| N4 | C6 | S1 | 115.6° | 109.5° |
| N4 | C5 | C1 | 120.2° | 122.3° |
| N4 | C5 | C7 | 114.7° | 115.3° |
| C6 | S1 | C7 | 88.5° | 90.1° |
| N3 | C4 | N2 | 118.3° | 120.5° |
| N3 | C4 | C3 | 120.8° | 120.5° |
| C4 | N3 | H1 | 109.5° | 120.0° |
| C4 | N3 | H2 | 109.5° | 120.0° |
| C4 | N2 | C1 | 118.4° | 120.6° |
| N2 | C4 | C3 | 120.9° | 119.0° |
| N2 | C1 | C5 | 119.1° | 119.2° |
| N2 | C1 | N1 | 123.8° | 121.6° |
| C4 | C3 | C2 | 117.0° | 118.5° |
| C4 | C3 | H14 | 121.5° | 120.8° |
| C1 | C5 | C7 | 125.1° | 122.4° |
| C5 | C1 | N1 | 117.0° | 119.2° |
| C5 | C7 | S1 | 110.9° | 108.3° |
| C5 | C7 | H3 | 124.6° | 125.8° |
| C1 | N1 | C2 | 117.6° | 121.0° |
| C3 | C2 | N1 | 122.1° | 119.3° |
| C3 | C2 | H13 | 119.0° | 120.3° |
| C2 | C3 | H14 | 121.5° | 120.7° |
| N6 | C15 | C16 | 114.2° | 120.0° |
| N6 | C15 | O1 | 123.9° | 120.0° |
| C15 | N6 | H22 | 116.3° | 120.0° |
| N1 | C2 | H13 | 118.9° | 120.4° |
| S1 | C7 | H3 | 124.5° | 125.9° |
| C27 | N8 | C24 | 111.0° | 111.0° |
| C27 | N8 | C25 | 110.9° | 111.0° |
| N8 | C27 | H30 | 109.5° | 109.5° |
| N8 | C27 | H31 | 109.5° | 109.5° |
| N8 | C27 | H32 | 109.4° | 109.5° |
| C24 | N8 | C25 | 111.4° | 110.9° |
| N8 | C24 | C23 | 111.7° | 109.4° |
| N8 | C24 | H9 | 108.9° | 109.5° |
| N8 | C24 | H10 | 108.9° | 109.5° |
| N8 | C25 | C26 | 112.0° | 109.4° |
| N8 | C25 | H28 | 108.8° | 109.4° |
| N8 | C25 | H29 | 108.8° | 109.5° |
| C16 | C15 | O1 | 121.7° | 120.0° |
| C15 | C16 | C17 | 121.4° | 120.2° |
| C15 | C16 | C21 | 119.6° | 120.1° |
| C24 | C23 | N7 | 109.0° | 109.4° |
| C23 | C24 | H9 | 108.9° | 109.5° |
| C23 | C24 | H10 | 108.9° | 109.5° |
| C24 | C23 | H25 | 109.6° | 109.5° |
| C24 | C23 | H26 | 109.6° | 109.4° |
| C23 | N7 | C26 | 108.6° | 110.9° |
| C23 | N7 | C22 | 117.1° | 111.0° |
| N7 | C23 | H25 | 109.6° | 109.5° |
| N7 | C23 | H26 | 109.6° | 109.5° |
| C16 | C17 | C18 | 120.2° | 119.8° |
| C17 | C16 | C21 | 119.0° | 119.7° |
| C16 | C17 | H4 | 119.9° | 120.0° |
| C17 | C18 | C19 | 120.9° | 120.2° |
| C18 | C17 | H4 | 119.9° | 120.1° |
| C17 | C18 | H23 | 119.5° | 119.9° |
| C16 | C21 | C20 | 120.8° | 119.8° |
| C16 | C21 | H6 | 119.6° | 120.1° |
| C25 | C26 | N7 | 109.8° | 109.3° |
| C25 | C26 | H11 | 109.4° | 109.5° |
| C25 | C26 | H12 | 109.4° | 109.5° |
| C26 | C25 | H28 | 108.9° | 109.5° |
| C26 | C25 | H29 | 108.8° | 109.5° |
| C18 | C19 | C20 | 118.4° | 120.3° |
| C18 | C19 | C22 | 120.3° | 119.9° |
| C19 | C18 | H23 | 119.5° | 119.9° |
| C21 | C20 | C19 | 120.6° | 120.2° |
| C21 | C20 | H5 | 119.7° | 119.9° |
| C20 | C21 | H6 | 119.6° | 120.1° |
| C26 | N7 | C22 | 112.8° | 111.0° |
| N7 | C26 | H11 | 109.4° | 109.5° |
| N7 | C26 | H12 | 109.4° | 109.5° |
| N7 | C22 | C19 | 118.9° | 109.5° |
| N7 | C22 | H7 | 107.1° | 109.5° |
| N7 | C22 | H8 | 107.0° | 109.5° |
| C20 | C19 | C22 | 121.1° | 119.9° |
| C19 | C20 | H5 | 119.7° | 119.9° |
| C19 | C22 | H7 | 107.1° | 109.4° |
| C19 | C22 | H8 | 107.1° | 109.4° |
| H1 | N3 | H2 | 109.5° | 120.0° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.5° |
| H11 | C26 | H12 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.4° | 109.4° |
| H19 | C14 | H21 | 109.5° | 109.4° |
| H20 | C14 | H21 | 109.5° | 109.4° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H28 | C25 | H29 | 109.5° | 109.5° |
| H30 | C27 | H31 | 109.5° | 109.4° |
| H30 | C27 | H32 | 109.5° | 109.4° |
| H31 | C27 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | C8 | 179.7° | 180.0° |
| C14 | C13 | C12 | C11 | 179.8° | 180.0° |
| C14 | C13 | C8 | N5 | 0.9° | 0.1° |
| C14 | C13 | C8 | C9 | 179.6° | 179.7° |
| C14 | C13 | C12 | H18 | 0.3° | 0.0° |
| C13 | C14 | H19 | H20 | 120.0° | 120.1° |
| C13 | C14 | H19 | H21 | 120.0° | 120.0° |
| C13 | C14 | H20 | H21 | 120.0° | 120.0° |
| C13 | C12 | C11 | H18 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.6° | 0.2° |
| C12 | C13 | C8 | N5 | 178.8° | 179.9° |
| C12 | C13 | C8 | C9 | 0.1° | 0.3° |
| C13 | C12 | C11 | H17 | 179.4° | 179.9° |
| C12 | C13 | C14 | H19 | 89.9° | 90.0° |
| C12 | C13 | C14 | H20 | 150.2° | 30.0° |
| C12 | C13 | C14 | H21 | 30.2° | 150.0° |
| C11 | C12 | C13 | C8 | 0.1° | 0.0° |
| C12 | C11 | C10 | H17 | 180.0° | 179.8° |
| C12 | C11 | C10 | C9 | 1.4° | 0.2° |
| C12 | C11 | C10 | N6 | 179.3° | 179.7° |
| C13 | C8 | N5 | C9 | 178.7° | 179.7° |
| C13 | C8 | N5 | C6 | 140.0° | 149.2° |
| C13 | C8 | C9 | C10 | 0.9° | 0.3° |
| C13 | C8 | N5 | H15 | 40.0° | 30.9° |
| C13 | C8 | C9 | H16 | 179.1° | 179.7° |
| C8 | C13 | C12 | H18 | 180.0° | 180.0° |
| C8 | C13 | C14 | H19 | 89.8° | 90.0° |
| C8 | C13 | C14 | H20 | 30.2° | 150.0° |
| C8 | C13 | C14 | H21 | 150.1° | 30.0° |
| C11 | C10 | C9 | C8 | 1.6° | 0.1° |
| C11 | C10 | C9 | N6 | 179.2° | 180.0° |
| C11 | C10 | N6 | C15 | 169.8° | 33.3° |
| C11 | C10 | C9 | H16 | 178.4° | 180.0° |
| C10 | C11 | C12 | H18 | 179.4° | 179.7° |
| C11 | C10 | N6 | H22 | 10.2° | 146.7° |
| C8 | N5 | C6 | H15 | 180.0° | 179.9° |
| N5 | C8 | C9 | C10 | 179.6° | 180.0° |
| C8 | N5 | C6 | N4 | 162.3° | 173.6° |
| C8 | N5 | C6 | S1 | 17.0° | 6.5° |
| N5 | C8 | C9 | H16 | 0.4° | 0.1° |
| C9 | C8 | N5 | C6 | 41.3° | 30.5° |
| C8 | C9 | C10 | H16 | 180.0° | 180.0° |
| C8 | C9 | C10 | N6 | 179.3° | 180.0° |
| C9 | C8 | N5 | H15 | 138.7° | 149.5° |
| N5 | C6 | N4 | S1 | 179.4° | 179.9° |
| N5 | C6 | N4 | C5 | 179.1° | 179.8° |
| N5 | C6 | S1 | C7 | 178.4° | 180.0° |
| C9 | C10 | N6 | C15 | 11.0° | 146.6° |
| C9 | C10 | C11 | H17 | 178.6° | 180.0° |
| C9 | C10 | N6 | H22 | 169.0° | 33.3° |
| C10 | N6 | C15 | H22 | 180.0° | 180.0° |
| C10 | N6 | C15 | C16 | 174.5° | 175.0° |
| C10 | N6 | C15 | O1 | 10.4° | 5.0° |
| N6 | C10 | C9 | H16 | 0.8° | 0.0° |
| N6 | C10 | C11 | H17 | 0.7° | 0.1° |
| C6 | N4 | C5 | C1 | 179.3° | 179.9° |
| C6 | N4 | C5 | C7 | 0.8° | 0.2° |
| N4 | C6 | S1 | C7 | 0.9° | 0.1° |
| N4 | C6 | N5 | H15 | 17.7° | 6.3° |
| C5 | N4 | C6 | S1 | 0.3° | 0.1° |
| N4 | C5 | C1 | N2 | 144.3° | 0.3° |
| N4 | C5 | C1 | C7 | 179.8° | 179.7° |
| N4 | C5 | C1 | N1 | 35.7° | 179.8° |
| N4 | C5 | C7 | S1 | 1.5° | 0.2° |
| N4 | C5 | C7 | H3 | 178.5° | 179.8° |
| C6 | S1 | C7 | C5 | 1.3° | 0.2° |
| C6 | S1 | C7 | H3 | 178.6° | 179.9° |
| S1 | C6 | N5 | H15 | 163.0° | 173.6° |
| N3 | C4 | N2 | C3 | 179.5° | 179.9° |
| N3 | C4 | N2 | C1 | 179.2° | 180.0° |
| N3 | C4 | C3 | C2 | 178.5° | 180.0° |
| C4 | N3 | H1 | H2 | 120.0° | 180.0° |
| N3 | C4 | C3 | H14 | 1.5° | 0.1° |
| C4 | N2 | C1 | C5 | 179.2° | 180.0° |
| C4 | N2 | C1 | N1 | 0.8° | 0.1° |
| N2 | C4 | C3 | C2 | 1.9° | 0.1° |
| N2 | C4 | N3 | H1 | 0.0° | 179.9° |
| N2 | C4 | N3 | H2 | 120.0° | 0.0° |
| N2 | C4 | C3 | H14 | 178.1° | 180.0° |
| C1 | N2 | C4 | C3 | 0.4° | 0.1° |
| N2 | C1 | C5 | N1 | 180.0° | 179.9° |
| N2 | C1 | C5 | C7 | 35.5° | 180.0° |
| N2 | C1 | N1 | C2 | 1.3° | 0.1° |
| C4 | C3 | C2 | H14 | 180.0° | 179.9° |
| C4 | C3 | C2 | N1 | 4.1° | 0.1° |
| C3 | C4 | N3 | H1 | 179.6° | 0.0° |
| C3 | C4 | N3 | H2 | 60.5° | 180.0° |
| C4 | C3 | C2 | H13 | 175.9° | 180.0° |
| C5 | C1 | N1 | C2 | 178.8° | 180.0° |
| C1 | C5 | C7 | S1 | 178.6° | 180.0° |
| C1 | C5 | C7 | H3 | 1.4° | 0.1° |
| C7 | C5 | C1 | N1 | 144.5° | 0.0° |
| C5 | C7 | S1 | H3 | 180.0° | 180.0° |
| C1 | N1 | C2 | C3 | 3.8° | 0.1° |
| C1 | N1 | C2 | H13 | 176.2° | 180.0° |
| C3 | C2 | N1 | H13 | 180.0° | 179.9° |
| N6 | C15 | C16 | O1 | 175.2° | 180.0° |
| N6 | C15 | C16 | C17 | 31.7° | 180.0° |
| N6 | C15 | C16 | C21 | 149.6° | 0.0° |
| N1 | C2 | C3 | H14 | 175.9° | 179.9° |
| C27 | N8 | C24 | C25 | 124.1° | 123.9° |
| C27 | N8 | C24 | C23 | 176.9° | 176.8° |
| C27 | N8 | C25 | C26 | 175.9° | 176.8° |
| C27 | N8 | C24 | H9 | 56.6° | 56.8° |
| C27 | N8 | C24 | H10 | 62.8° | 63.3° |
| C27 | N8 | C25 | H28 | 63.7° | 63.2° |
| C27 | N8 | C25 | H29 | 55.5° | 56.8° |
| N8 | C27 | H30 | H31 | 120.0° | 120.0° |
| N8 | C27 | H30 | H32 | 120.0° | 120.0° |
| N8 | C27 | H31 | H32 | 120.0° | 120.1° |
| N8 | C24 | C23 | H9 | 120.3° | 120.0° |
| N8 | C24 | C23 | H10 | 120.3° | 120.0° |
| N8 | C24 | C23 | N7 | 58.5° | 58.3° |
| C24 | N8 | C25 | C26 | 51.7° | 59.3° |
| N8 | C24 | H9 | H10 | 119.0° | 120.1° |
| N8 | C24 | C23 | H25 | 178.5° | 178.4° |
| N8 | C24 | C23 | H26 | 61.4° | 61.6° |
| C24 | N8 | C25 | H28 | 172.1° | 60.7° |
| C24 | N8 | C25 | H29 | 68.7° | 179.3° |
| C24 | N8 | C27 | H30 | 180.0° | 60.0° |
| C24 | N8 | C27 | H31 | 60.0° | 180.0° |
| C24 | N8 | C27 | H32 | 60.0° | 60.0° |
| C25 | N8 | C24 | C23 | 52.8° | 59.3° |
| N8 | C25 | C26 | H28 | 120.4° | 119.9° |
| N8 | C25 | C26 | H29 | 120.4° | 120.0° |
| N8 | C25 | C26 | N7 | 56.6° | 58.4° |
| C25 | N8 | C24 | H9 | 67.5° | 179.3° |
| C25 | N8 | C24 | H10 | 173.1° | 60.7° |
| N8 | C25 | C26 | H11 | 63.5° | 178.3° |
| N8 | C25 | C26 | H12 | 176.6° | 61.6° |
| N8 | C25 | H28 | H29 | 118.9° | 120.0° |
| C25 | N8 | C27 | H30 | 55.6° | 63.8° |
| C25 | N8 | C27 | H31 | 175.6° | 56.2° |
| C25 | N8 | C27 | H32 | 64.4° | 176.2° |
| C15 | C16 | C17 | C21 | 178.7° | 180.0° |
| C15 | C16 | C17 | C18 | 177.5° | 180.0° |
| C15 | C16 | C21 | C20 | 177.3° | 179.9° |
| C15 | C16 | C17 | H4 | 2.5° | 0.3° |
| C15 | C16 | C21 | H6 | 2.7° | 0.0° |
| C16 | C15 | N6 | H22 | 5.5° | 5.0° |
| O1 | C15 | C16 | C17 | 143.5° | 0.0° |
| O1 | C15 | C16 | C21 | 35.2° | 180.0° |
| O1 | C15 | N6 | H22 | 169.5° | 174.9° |
| C24 | C23 | N7 | H25 | 120.0° | 120.0° |
| C24 | C23 | N7 | H26 | 119.9° | 119.9° |
| C24 | C23 | N7 | C26 | 62.5° | 59.3° |
| C24 | C23 | N7 | C22 | 168.3° | 176.8° |
| C23 | C24 | H9 | H10 | 119.0° | 120.0° |
| C24 | C23 | H25 | H26 | 120.2° | 120.0° |
| C23 | N7 | C26 | C25 | 61.8° | 59.3° |
| C23 | N7 | C26 | C22 | 131.5° | 123.9° |
| C23 | N7 | C22 | C19 | 1.1° | 66.2° |
| C23 | N7 | C22 | H7 | 122.4° | 173.8° |
| C23 | N7 | C22 | H8 | 120.3° | 53.8° |
| N7 | C23 | C24 | H9 | 61.8° | 178.3° |
| N7 | C23 | C24 | H10 | 178.9° | 61.6° |
| C23 | N7 | C26 | H11 | 58.3° | 179.2° |
| C23 | N7 | C26 | H12 | 178.2° | 60.7° |
| N7 | C23 | H25 | H26 | 120.2° | 120.1° |
| C16 | C17 | C18 | H4 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 2.0° | 0.0° |
| C17 | C16 | C21 | C20 | 1.4° | 0.1° |
| C17 | C16 | C21 | H6 | 178.6° | 180.0° |
| C16 | C17 | C18 | H23 | 178.0° | 180.0° |
| C18 | C17 | C16 | C21 | 1.2° | 0.1° |
| C17 | C18 | C19 | H23 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 2.8° | 0.0° |
| C17 | C18 | C19 | C22 | 178.9° | 180.0° |
| C16 | C21 | C20 | H6 | 180.0° | 179.9° |
| C16 | C21 | C20 | C19 | 2.3° | 0.1° |
| C21 | C16 | C17 | H4 | 178.8° | 179.7° |
| C16 | C21 | C20 | H5 | 177.7° | 179.9° |
| C25 | C26 | N7 | H11 | 120.1° | 119.9° |
| C25 | C26 | N7 | H12 | 120.0° | 120.0° |
| C25 | C26 | N7 | C22 | 166.8° | 176.8° |
| C25 | C26 | H11 | H12 | 119.8° | 120.1° |
| C26 | C25 | H28 | H29 | 118.8° | 120.1° |
| C18 | C19 | C20 | C21 | 2.9° | 0.0° |
| C18 | C19 | C22 | N7 | 117.9° | 90.0° |
| C18 | C19 | C20 | C22 | 176.0° | 180.0° |
| C19 | C18 | C17 | H4 | 178.0° | 179.7° |
| C18 | C19 | C20 | H5 | 177.0° | 180.0° |
| C18 | C19 | C22 | H7 | 3.4° | 149.9° |
| C18 | C19 | C22 | H8 | 120.8° | 30.0° |
| C21 | C20 | C19 | H5 | 180.0° | 180.0° |
| C21 | C20 | C19 | C22 | 179.0° | 179.9° |
| C26 | N7 | C22 | C19 | 126.0° | 170.0° |
| C26 | N7 | C22 | H7 | 4.7° | 50.0° |
| C26 | N7 | C22 | H8 | 112.6° | 70.1° |
| N7 | C26 | H11 | H12 | 119.8° | 120.0° |
| C26 | N7 | C23 | H25 | 177.5° | 179.3° |
| C26 | N7 | C23 | H26 | 57.4° | 60.6° |
| N7 | C26 | C25 | H28 | 176.9° | 61.6° |
| N7 | C26 | C25 | H29 | 63.8° | 178.3° |
| N7 | C22 | C19 | C20 | 66.1° | 90.0° |
| N7 | C22 | C19 | H7 | 121.3° | 120.1° |
| N7 | C22 | C19 | H8 | 121.3° | 120.0° |
| N7 | C22 | H7 | H8 | 115.7° | 120.1° |
| C22 | N7 | C26 | H11 | 73.2° | 56.8° |
| C22 | N7 | C26 | H12 | 46.7° | 63.2° |
| C22 | N7 | C23 | H25 | 48.4° | 56.8° |
| C22 | N7 | C23 | H26 | 71.7° | 63.3° |
| C19 | C20 | C21 | H6 | 177.7° | 180.0° |
| C20 | C19 | C22 | H7 | 172.5° | 30.0° |
| C20 | C19 | C22 | H8 | 55.2° | 150.0° |
| C20 | C19 | C18 | H23 | 177.2° | 180.0° |
| C22 | C19 | C20 | H5 | 1.0° | 0.1° |
| C19 | C22 | H7 | H8 | 115.7° | 119.9° |
| C22 | C19 | C18 | H23 | 1.1° | 0.0° |
| H4 | C17 | C18 | H23 | 2.0° | 0.2° |
| H5 | C20 | C21 | H6 | 2.3° | 0.0° |
| H9 | C24 | C23 | H25 | 58.1° | 61.6° |
| H9 | C24 | C23 | H26 | 178.3° | 58.4° |
| H10 | C24 | C23 | H25 | 61.2° | 58.4° |
| H10 | C24 | C23 | H26 | 58.9° | 178.4° |
| H11 | C26 | C25 | H28 | 56.9° | 58.4° |
| H11 | C26 | C25 | H29 | 176.1° | 61.7° |
| H12 | C26 | C25 | H28 | 63.0° | 178.5° |
| H12 | C26 | C25 | H29 | 56.2° | 58.4° |
| H13 | C2 | C3 | H14 | 4.1° | 0.2° |
| H17 | C11 | C12 | H18 | 0.6° | 0.1° |
| H19 | C14 | H20 | H21 | 120.0° | 119.9° |
| H30 | C27 | H31 | H32 | 120.0° | 119.9° |
