JCM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.51Å | 1.48Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| N6 | C29 | sing | 1.39Å | 1.34Å | |
| C20 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | N7 | doub | 1.33Å | 1.34Å | Aromatic |
| C29 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| N7 | C26 | sing | 1.33Å | 1.33Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | N1 | sing | 1.40Å | 1.43Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.48Å | 1.46Å | |
| C26 | N5 | doub | 1.33Å | 1.34Å | Aromatic |
| C27 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| C25 | N4 | sing | 1.33Å | 1.40Å | Aromatic |
| C25 | C30 | doub | 1.35Å | 1.37Å | Aromatic |
| N4 | C24 | doub | 1.30Å | 1.30Å | Aromatic |
| N1 | C24 | sing | 1.39Å | 1.34Å | |
| N1 | C3 | sing | 1.47Å | 1.48Å | |
| C30 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C24 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C7 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | N2 | sing | 1.47Å | 1.47Å | |
| C17 | N2 | sing | 1.47Å | 1.47Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| N2 | C13 | sing | 1.47Å | 1.47Å | |
| C16 | N3 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| N3 | C14 | sing | 1.47Å | 1.46Å | |
| N3 | C15 | sing | 1.47Å | 1.47Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.08Å | 1.08Å | |
| C19 | H32 | sing | 1.08Å | 1.08Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.08Å | 1.08Å | |
| N6 | H37 | sing | 0.97Å | 1.00Å | |
| N6 | H38 | sing | 0.97Å | 1.00Å | |
| C30 | H39 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 120.5° | 119.9° |
| C23 | C22 | C4 | 121.6° | 119.9° |
| C22 | C23 | H33 | 109.5° | 109.4° |
| C22 | C23 | H34 | 109.5° | 109.5° |
| C22 | C23 | H35 | 109.5° | 109.5° |
| C22 | C21 | C20 | 120.6° | 120.2° |
| C21 | C22 | C4 | 117.9° | 120.2° |
| C22 | C21 | H12 | 119.7° | 119.9° |
| C21 | C20 | C6 | 121.6° | 120.0° |
| C21 | C20 | H11 | 119.2° | 120.0° |
| C20 | C21 | H12 | 119.7° | 119.9° |
| C22 | C4 | N1 | 118.8° | 120.0° |
| C22 | C4 | C5 | 121.5° | 120.0° |
| N6 | C29 | N7 | 117.7° | 120.4° |
| N6 | C29 | C28 | 121.3° | 120.5° |
| C29 | N6 | H37 | 109.5° | 120.1° |
| C29 | N6 | H38 | 109.5° | 119.9° |
| C20 | C6 | C5 | 118.1° | 119.9° |
| C20 | C6 | C7 | 121.9° | 120.0° |
| C6 | C20 | H11 | 119.2° | 120.0° |
| N7 | C29 | C28 | 121.0° | 119.1° |
| C29 | N7 | C26 | 118.9° | 120.6° |
| C29 | C28 | C27 | 116.6° | 118.5° |
| C29 | C28 | H13 | 121.7° | 120.8° |
| N7 | C26 | C25 | 118.7° | 119.2° |
| N7 | C26 | N5 | 123.3° | 121.6° |
| C28 | C27 | N5 | 122.2° | 119.3° |
| C27 | C28 | H13 | 121.7° | 120.7° |
| C28 | C27 | H36 | 118.9° | 120.4° |
| N1 | C4 | C5 | 119.6° | 120.0° |
| C4 | N1 | C24 | 119.3° | 120.0° |
| C4 | N1 | C3 | 117.2° | 120.0° |
| C4 | C5 | C6 | 120.3° | 119.8° |
| C4 | C5 | H2 | 119.8° | 120.1° |
| C25 | C26 | N5 | 118.0° | 119.2° |
| C26 | C25 | N4 | 119.9° | 122.4° |
| C26 | C25 | C30 | 125.9° | 122.4° |
| C26 | N5 | C27 | 118.0° | 120.9° |
| N5 | C27 | H36 | 118.9° | 120.3° |
| N4 | C25 | C30 | 114.1° | 115.2° |
| C25 | N4 | C24 | 110.5° | 116.9° |
| C25 | C30 | S1 | 111.0° | 108.3° |
| C25 | C30 | H39 | 124.5° | 125.9° |
| N4 | C24 | N1 | 122.1° | 125.2° |
| N4 | C24 | S1 | 115.8° | 109.5° |
| C24 | N1 | C3 | 123.1° | 120.0° |
| N1 | C24 | S1 | 121.7° | 125.2° |
| N1 | C3 | C2 | 113.9° | 109.5° |
| N1 | C3 | H19 | 108.4° | 109.4° |
| N1 | C3 | H20 | 108.4° | 109.4° |
| C30 | S1 | C24 | 88.3° | 90.1° |
| S1 | C30 | H39 | 124.5° | 125.8° |
| C3 | C2 | C1 | 111.7° | 109.4° |
| C3 | C2 | H17 | 108.9° | 109.5° |
| C3 | C2 | H18 | 108.9° | 109.5° |
| C2 | C3 | H19 | 108.4° | 109.5° |
| C2 | C3 | H20 | 108.4° | 109.5° |
| C5 | C6 | C7 | 120.0° | 120.1° |
| C6 | C5 | H2 | 119.9° | 120.1° |
| C6 | C7 | C19 | 121.1° | 120.1° |
| C6 | C7 | C8 | 121.3° | 120.1° |
| C2 | C1 | H14 | 109.5° | 109.4° |
| C2 | C1 | H15 | 109.5° | 109.4° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C1 | C2 | H17 | 108.9° | 109.4° |
| C1 | C2 | H18 | 108.9° | 109.5° |
| C19 | C7 | C8 | 117.6° | 119.8° |
| C7 | C19 | C18 | 121.0° | 119.9° |
| C7 | C19 | H32 | 119.5° | 120.1° |
| C7 | C8 | C9 | 121.1° | 119.9° |
| C7 | C8 | H3 | 119.5° | 120.1° |
| C19 | C18 | C10 | 121.1° | 120.1° |
| C19 | C18 | H31 | 119.4° | 119.9° |
| C18 | C19 | H32 | 119.5° | 120.0° |
| C18 | C10 | C9 | 117.8° | 120.2° |
| C18 | C10 | C11 | 121.2° | 119.8° |
| C10 | C18 | H31 | 119.4° | 120.0° |
| C8 | C9 | C10 | 121.3° | 120.2° |
| C9 | C8 | H3 | 119.4° | 120.1° |
| C8 | C9 | H21 | 119.4° | 119.9° |
| C9 | C10 | C11 | 120.9° | 119.9° |
| C10 | C9 | H21 | 119.4° | 120.0° |
| C10 | C11 | C12 | 110.6° | 109.5° |
| C10 | C11 | H22 | 109.2° | 109.5° |
| C10 | C11 | H23 | 109.2° | 109.5° |
| C11 | C12 | N2 | 113.7° | 109.5° |
| C12 | C11 | H22 | 109.2° | 109.5° |
| C12 | C11 | H23 | 109.2° | 109.4° |
| C11 | C12 | H24 | 108.4° | 109.5° |
| C11 | C12 | H25 | 108.4° | 109.5° |
| C12 | N2 | C17 | 111.4° | 111.0° |
| C12 | N2 | C13 | 112.1° | 111.0° |
| N2 | C12 | H24 | 108.4° | 109.5° |
| N2 | C12 | H25 | 108.4° | 109.4° |
| N2 | C17 | C16 | 110.9° | 109.4° |
| C17 | N2 | C13 | 107.9° | 110.9° |
| N2 | C17 | H9 | 109.1° | 109.5° |
| N2 | C17 | H10 | 109.1° | 109.4° |
| C17 | C16 | N3 | 111.4° | 109.4° |
| C16 | C17 | H9 | 109.1° | 109.5° |
| C16 | C17 | H10 | 109.1° | 109.5° |
| C17 | C16 | H29 | 109.0° | 109.5° |
| C17 | C16 | H30 | 108.9° | 109.5° |
| N2 | C13 | C14 | 110.6° | 109.4° |
| N2 | C13 | H4 | 109.2° | 109.5° |
| N2 | C13 | H5 | 109.2° | 109.5° |
| C16 | N3 | C14 | 110.0° | 110.9° |
| C16 | N3 | C15 | 111.1° | 111.0° |
| N3 | C16 | H29 | 109.0° | 109.5° |
| N3 | C16 | H30 | 109.0° | 109.5° |
| C13 | C14 | N3 | 111.7° | 109.4° |
| C14 | C13 | H4 | 109.2° | 109.5° |
| C14 | C13 | H5 | 109.2° | 109.5° |
| C13 | C14 | H27 | 108.9° | 109.4° |
| C13 | C14 | H28 | 108.9° | 109.5° |
| C14 | N3 | C15 | 111.2° | 111.0° |
| N3 | C14 | H27 | 108.9° | 109.5° |
| N3 | C14 | H28 | 108.9° | 109.5° |
| N3 | C15 | H6 | 109.5° | 109.5° |
| N3 | C15 | H7 | 109.4° | 109.5° |
| N3 | C15 | H8 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.4° | 109.5° |
| H6 | C15 | H7 | 109.4° | 109.4° |
| H6 | C15 | H8 | 109.4° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.4° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.5° |
| H17 | C2 | H18 | 109.5° | 109.5° |
| H19 | C3 | H20 | 109.4° | 109.5° |
| H22 | C11 | H23 | 109.5° | 109.5° |
| H24 | C12 | H25 | 109.5° | 109.5° |
| H27 | C14 | H28 | 109.5° | 109.6° |
| H29 | C16 | H30 | 109.5° | 109.6° |
| H33 | C23 | H34 | 109.4° | 109.5° |
| H33 | C23 | H35 | 109.4° | 109.5° |
| H34 | C23 | H35 | 109.5° | 109.5° |
| H37 | N6 | H38 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | C4 | 179.2° | 179.4° |
| C23 | C22 | C21 | C20 | 178.2° | 180.0° |
| C23 | C22 | C4 | N1 | 0.1° | 0.3° |
| C23 | C22 | C4 | C5 | 177.4° | 180.0° |
| C23 | C22 | C21 | H12 | 1.8° | 0.6° |
| C22 | C23 | H33 | H34 | 120.0° | 120.0° |
| C22 | C23 | H33 | H35 | 120.0° | 120.0° |
| C22 | C23 | H34 | H35 | 120.0° | 120.0° |
| C22 | C21 | C20 | H12 | 180.0° | 179.4° |
| C22 | C21 | C20 | C6 | 0.1° | 0.3° |
| C21 | C22 | C4 | N1 | 179.3° | 179.7° |
| C21 | C22 | C4 | C5 | 1.7° | 0.6° |
| C22 | C21 | C20 | H11 | 179.9° | 179.8° |
| C21 | C22 | C23 | H33 | 90.4° | 95.7° |
| C21 | C22 | C23 | H34 | 149.6° | 144.3° |
| C21 | C22 | C23 | H35 | 29.5° | 24.3° |
| C20 | C21 | C22 | C4 | 1.0° | 0.6° |
| C21 | C20 | C6 | H11 | 180.0° | 179.9° |
| C21 | C20 | C6 | C5 | 0.1° | 0.0° |
| C21 | C20 | C6 | C7 | 179.7° | 180.0° |
| C22 | C4 | N1 | C5 | 177.6° | 179.7° |
| C22 | C4 | N1 | C24 | 89.0° | 92.6° |
| C22 | C4 | N1 | C3 | 83.4° | 87.8° |
| C22 | C4 | C5 | C6 | 1.6° | 0.3° |
| C22 | C4 | C5 | H2 | 178.4° | 179.7° |
| C4 | C22 | C21 | H12 | 179.0° | 180.0° |
| C4 | C22 | C23 | H33 | 90.5° | 84.9° |
| C4 | C22 | C23 | H34 | 29.5° | 35.1° |
| C4 | C22 | C23 | H35 | 149.6° | 155.1° |
| N6 | C29 | N7 | C28 | 179.3° | 180.0° |
| N6 | C29 | N7 | C26 | 179.8° | 179.9° |
| N6 | C29 | C28 | C27 | 178.7° | 179.7° |
| N6 | C29 | C28 | H13 | 1.4° | 0.1° |
| C29 | N6 | H37 | H38 | 120.0° | 179.9° |
| C20 | C6 | C5 | C4 | 0.7° | 0.0° |
| C20 | C6 | C5 | C7 | 179.6° | 180.0° |
| C20 | C6 | C7 | C19 | 52.3° | 0.1° |
| C20 | C6 | C7 | C8 | 128.7° | 179.7° |
| C20 | C6 | C5 | H2 | 179.4° | 180.0° |
| C6 | C20 | C21 | H12 | 179.9° | 179.7° |
| N7 | C29 | C28 | C27 | 0.6° | 0.3° |
| C29 | N7 | C26 | C25 | 179.0° | 180.0° |
| C29 | N7 | C26 | N5 | 1.1° | 0.3° |
| N7 | C29 | C28 | H13 | 179.4° | 180.0° |
| N7 | C29 | N6 | H37 | 0.0° | 0.1° |
| N7 | C29 | N6 | H38 | 120.0° | 180.0° |
| C28 | C29 | N7 | C26 | 0.9° | 0.0° |
| C29 | C28 | C27 | H13 | 180.0° | 179.7° |
| C29 | C28 | C27 | N5 | 2.1° | 0.2° |
| C29 | C28 | C27 | H36 | 177.9° | 179.8° |
| C28 | C29 | N6 | H37 | 179.3° | 180.0° |
| C28 | C29 | N6 | H38 | 59.2° | 0.1° |
| N7 | C26 | C25 | N5 | 180.0° | 179.7° |
| N7 | C26 | N5 | C27 | 0.4° | 0.3° |
| N7 | C26 | C25 | N4 | 169.9° | 179.7° |
| N7 | C26 | C25 | C30 | 15.5° | 0.3° |
| C28 | C27 | N5 | C26 | 2.0° | 0.0° |
| C28 | C27 | N5 | H36 | 180.0° | 180.0° |
| C4 | N1 | C24 | N4 | 160.4° | 180.0° |
| C4 | N1 | C24 | C3 | 171.9° | 179.6° |
| C4 | N1 | C24 | S1 | 12.1° | 0.4° |
| C4 | N1 | C3 | C2 | 96.3° | 94.7° |
| N1 | C4 | C5 | C6 | 179.1° | 180.0° |
| N1 | C4 | C5 | H2 | 0.9° | 0.0° |
| C4 | N1 | C3 | H19 | 143.0° | 25.2° |
| C4 | N1 | C3 | H20 | 24.4° | 145.2° |
| C5 | C4 | N1 | C24 | 88.6° | 87.1° |
| C5 | C4 | N1 | C3 | 99.0° | 92.5° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 179.0° | 180.0° |
| C25 | C26 | N5 | C27 | 179.5° | 180.0° |
| C26 | C25 | N4 | C30 | 175.2° | 180.0° |
| C26 | C25 | N4 | C24 | 178.2° | 179.9° |
| C26 | C25 | C30 | S1 | 179.2° | 179.8° |
| C26 | C25 | C30 | H39 | 0.8° | 0.0° |
| N5 | C26 | C25 | N4 | 10.0° | 0.0° |
| N5 | C26 | C25 | C30 | 164.5° | 180.0° |
| C26 | N5 | C27 | H36 | 177.9° | 180.0° |
| N5 | C27 | C28 | H13 | 177.9° | 180.0° |
| C25 | N4 | C24 | N1 | 174.3° | 180.0° |
| N4 | C25 | C30 | S1 | 6.0° | 0.3° |
| C25 | N4 | C24 | S1 | 1.4° | 0.3° |
| N4 | C25 | C30 | H39 | 174.0° | 180.0° |
| C30 | C25 | N4 | C24 | 3.0° | 0.0° |
| C25 | C30 | S1 | H39 | 180.0° | 179.8° |
| C25 | C30 | S1 | C24 | 5.5° | 0.4° |
| N4 | C24 | N1 | S1 | 172.5° | 179.6° |
| N4 | C24 | N1 | C3 | 11.5° | 0.4° |
| N4 | C24 | S1 | C30 | 4.0° | 0.4° |
| N1 | C24 | S1 | C30 | 177.0° | 180.0° |
| C24 | N1 | C3 | C2 | 91.6° | 84.9° |
| C24 | N1 | C3 | H19 | 29.1° | 155.1° |
| C24 | N1 | C3 | H20 | 147.7° | 35.1° |
| C3 | N1 | C24 | S1 | 176.0° | 180.0° |
| N1 | C3 | C2 | H19 | 120.7° | 120.0° |
| N1 | C3 | C2 | H20 | 120.7° | 120.0° |
| N1 | C3 | C2 | C1 | 177.5° | 175.2° |
| N1 | C3 | C2 | H17 | 57.2° | 55.3° |
| N1 | C3 | C2 | H18 | 62.1° | 64.8° |
| N1 | C3 | H19 | H20 | 118.0° | 120.0° |
| C24 | S1 | C30 | H39 | 174.6° | 179.9° |
| C3 | C2 | C1 | H17 | 120.4° | 120.0° |
| C3 | C2 | C1 | H18 | 120.3° | 120.0° |
| C3 | C2 | C1 | H14 | 180.0° | 60.0° |
| C3 | C2 | C1 | H15 | 60.0° | 180.0° |
| C3 | C2 | C1 | H16 | 60.0° | 60.0° |
| C3 | C2 | H17 | H18 | 119.0° | 120.1° |
| C2 | C3 | H19 | H20 | 118.0° | 120.1° |
| C5 | C6 | C7 | C19 | 128.1° | 180.0° |
| C5 | C6 | C7 | C8 | 51.0° | 0.3° |
| C5 | C6 | C20 | H11 | 179.9° | 179.9° |
| C6 | C7 | C19 | C8 | 179.1° | 179.8° |
| C6 | C7 | C19 | C18 | 179.8° | 180.0° |
| C6 | C7 | C8 | C9 | 179.8° | 180.0° |
| C7 | C6 | C5 | H2 | 1.0° | 0.0° |
| C6 | C7 | C8 | H3 | 0.2° | 0.0° |
| C7 | C6 | C20 | H11 | 0.3° | 0.1° |
| C6 | C7 | C19 | H32 | 0.2° | 0.1° |
| C2 | C1 | H14 | H15 | 120.0° | 119.9° |
| C2 | C1 | H14 | H16 | 120.0° | 120.0° |
| C2 | C1 | H15 | H16 | 120.0° | 120.0° |
| C1 | C2 | H17 | H18 | 119.0° | 120.0° |
| C1 | C2 | C3 | H19 | 61.8° | 55.3° |
| C1 | C2 | C3 | H20 | 56.9° | 64.8° |
| C7 | C19 | C18 | H32 | 180.0° | 179.9° |
| C7 | C19 | C18 | C10 | 0.3° | 0.0° |
| C19 | C7 | C8 | C9 | 1.1° | 0.3° |
| C19 | C7 | C8 | H3 | 178.9° | 179.8° |
| C7 | C19 | C18 | H31 | 179.7° | 180.0° |
| C8 | C7 | C19 | C18 | 0.7° | 0.2° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 1.2° | 0.0° |
| C7 | C8 | C9 | H21 | 178.8° | 180.0° |
| C8 | C7 | C19 | H32 | 179.3° | 179.7° |
| C19 | C18 | C10 | H31 | 180.0° | 180.0° |
| C19 | C18 | C10 | C9 | 0.3° | 0.3° |
| C19 | C18 | C10 | C11 | 179.2° | 180.0° |
| C18 | C10 | C9 | C8 | 0.7° | 0.3° |
| C18 | C10 | C9 | C11 | 178.9° | 179.7° |
| C18 | C10 | C11 | C12 | 107.0° | 89.8° |
| C18 | C10 | C9 | H21 | 179.3° | 179.8° |
| C18 | C10 | C11 | H22 | 13.1° | 30.3° |
| C18 | C10 | C11 | H23 | 132.8° | 150.3° |
| C10 | C18 | C19 | H32 | 179.7° | 180.0° |
| C8 | C9 | C10 | H21 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 179.6° | 180.0° |
| C9 | C10 | C11 | C12 | 71.8° | 90.0° |
| C10 | C9 | C8 | H3 | 178.8° | 180.0° |
| C9 | C10 | C11 | H22 | 168.1° | 150.0° |
| C9 | C10 | C11 | H23 | 48.4° | 30.0° |
| C9 | C10 | C18 | H31 | 179.7° | 179.7° |
| C10 | C11 | C12 | H22 | 120.2° | 120.1° |
| C10 | C11 | C12 | H23 | 120.2° | 120.0° |
| C10 | C11 | C12 | N2 | 148.6° | 180.0° |
| C11 | C10 | C9 | H21 | 0.4° | 0.0° |
| C10 | C11 | H22 | H23 | 119.5° | 120.0° |
| C10 | C11 | C12 | H24 | 90.7° | 59.9° |
| C10 | C11 | C12 | H25 | 28.0° | 60.1° |
| C11 | C10 | C18 | H31 | 0.8° | 0.0° |
| C11 | C12 | N2 | H24 | 120.6° | 120.1° |
| C11 | C12 | N2 | H25 | 120.6° | 119.9° |
| C11 | C12 | N2 | C17 | 168.8° | 170.0° |
| C11 | C12 | N2 | C13 | 70.2° | 66.2° |
| C12 | C11 | H22 | H23 | 119.5° | 119.9° |
| C11 | C12 | H24 | H25 | 118.1° | 120.0° |
| C12 | N2 | C17 | C13 | 123.4° | 123.8° |
| C12 | N2 | C17 | C16 | 177.4° | 176.8° |
| C12 | N2 | C13 | C14 | 177.9° | 176.8° |
| C12 | N2 | C13 | H4 | 57.8° | 56.8° |
| C12 | N2 | C13 | H5 | 61.9° | 63.2° |
| C12 | N2 | C17 | H9 | 62.4° | 63.2° |
| C12 | N2 | C17 | H10 | 57.2° | 56.9° |
| N2 | C12 | C11 | H22 | 28.5° | 59.9° |
| N2 | C12 | C11 | H23 | 91.2° | 60.0° |
| N2 | C12 | H24 | H25 | 118.1° | 119.9° |
| N2 | C17 | C16 | H9 | 120.2° | 120.0° |
| N2 | C17 | C16 | H10 | 120.2° | 119.9° |
| N2 | C17 | C16 | N3 | 58.4° | 58.4° |
| C17 | N2 | C13 | C14 | 59.1° | 59.3° |
| C17 | N2 | C13 | H4 | 179.3° | 179.3° |
| C17 | N2 | C13 | H5 | 61.1° | 60.7° |
| N2 | C17 | H9 | H10 | 119.3° | 120.0° |
| C17 | N2 | C12 | H24 | 70.5° | 70.0° |
| C17 | N2 | C12 | H25 | 48.2° | 50.0° |
| N2 | C17 | C16 | H29 | 178.7° | 61.5° |
| N2 | C17 | C16 | H30 | 61.9° | 178.4° |
| C16 | C17 | N2 | C13 | 59.2° | 59.3° |
| C17 | C16 | N3 | H29 | 120.3° | 119.9° |
| C17 | C16 | N3 | H30 | 120.3° | 119.9° |
| C17 | C16 | N3 | C14 | 55.0° | 59.3° |
| C17 | C16 | N3 | C15 | 178.5° | 176.8° |
| C16 | C17 | H9 | H10 | 119.3° | 120.1° |
| C17 | C16 | H29 | H30 | 119.1° | 120.1° |
| N2 | C13 | C14 | H4 | 120.2° | 120.0° |
| N2 | C13 | C14 | H5 | 120.2° | 120.0° |
| N2 | C13 | C14 | N3 | 58.4° | 58.4° |
| N2 | C13 | H4 | H5 | 119.5° | 120.0° |
| C13 | N2 | C17 | H9 | 61.0° | 60.7° |
| C13 | N2 | C17 | H10 | 179.5° | 179.3° |
| C13 | N2 | C12 | H24 | 50.4° | 53.8° |
| C13 | N2 | C12 | H25 | 169.1° | 173.8° |
| N2 | C13 | C14 | H27 | 61.9° | 178.3° |
| N2 | C13 | C14 | H28 | 178.7° | 61.6° |
| C16 | N3 | C14 | C13 | 55.1° | 59.3° |
| C16 | N3 | C14 | C15 | 123.5° | 123.9° |
| C16 | N3 | C15 | H6 | 180.0° | 176.2° |
| C16 | N3 | C15 | H7 | 60.0° | 56.2° |
| C16 | N3 | C15 | H8 | 60.0° | 63.8° |
| N3 | C16 | C17 | H9 | 61.9° | 61.6° |
| N3 | C16 | C17 | H10 | 178.6° | 178.3° |
| C16 | N3 | C14 | H27 | 65.2° | 179.2° |
| C16 | N3 | C14 | H28 | 175.5° | 60.7° |
| N3 | C16 | H29 | H30 | 119.1° | 120.1° |
| C13 | C14 | N3 | H27 | 120.3° | 119.9° |
| C13 | C14 | N3 | H28 | 120.3° | 120.0° |
| C13 | C14 | N3 | C15 | 178.6° | 176.8° |
| C14 | C13 | H4 | H5 | 119.4° | 120.1° |
| C13 | C14 | H27 | H28 | 119.0° | 120.1° |
| N3 | C14 | C13 | H4 | 178.6° | 178.4° |
| N3 | C14 | C13 | H5 | 61.8° | 61.5° |
| C14 | N3 | C15 | H6 | 57.1° | 60.0° |
| C14 | N3 | C15 | H7 | 177.1° | 180.0° |
| C14 | N3 | C15 | H8 | 62.9° | 60.0° |
| N3 | C14 | H27 | H28 | 119.0° | 120.1° |
| C14 | N3 | C16 | H29 | 175.3° | 60.6° |
| C14 | N3 | C16 | H30 | 65.3° | 179.3° |
| N3 | C15 | H6 | H7 | 120.0° | 120.0° |
| N3 | C15 | H6 | H8 | 120.0° | 120.0° |
| N3 | C15 | H7 | H8 | 120.0° | 120.0° |
| C15 | N3 | C14 | H27 | 58.3° | 56.9° |
| C15 | N3 | C14 | H28 | 61.0° | 63.2° |
| C15 | N3 | C16 | H29 | 61.2° | 63.3° |
| C15 | N3 | C16 | H30 | 58.3° | 56.9° |
| H3 | C8 | C9 | H21 | 1.2° | 0.0° |
| H4 | C13 | C14 | H27 | 58.3° | 61.7° |
| H4 | C13 | C14 | H28 | 61.1° | 58.4° |
| H5 | C13 | C14 | H27 | 177.9° | 58.4° |
| H5 | C13 | C14 | H28 | 58.5° | 178.5° |
| H6 | C15 | H7 | H8 | 119.9° | 120.0° |
| H9 | C17 | C16 | H29 | 58.4° | 178.5° |
| H9 | C17 | C16 | H30 | 177.8° | 58.4° |
| H10 | C17 | C16 | H29 | 61.1° | 58.4° |
| H10 | C17 | C16 | H30 | 58.3° | 61.7° |
| H11 | C20 | C21 | H12 | 0.1° | 0.4° |
| H13 | C28 | C27 | H36 | 2.2° | 0.0° |
| H14 | C1 | H15 | H16 | 120.0° | 120.1° |
| H14 | C1 | C2 | H17 | 59.6° | 180.0° |
| H14 | C1 | C2 | H18 | 59.7° | 60.0° |
| H15 | C1 | C2 | H17 | 179.7° | 60.0° |
| H15 | C1 | C2 | H18 | 60.3° | 60.0° |
| H16 | C1 | C2 | H17 | 60.4° | 60.0° |
| H16 | C1 | C2 | H18 | 179.7° | 180.0° |
| H17 | C2 | C3 | H19 | 177.9° | 64.7° |
| H17 | C2 | C3 | H20 | 63.5° | 175.3° |
| H18 | C2 | C3 | H19 | 58.5° | 175.2° |
| H18 | C2 | C3 | H20 | 177.2° | 55.2° |
| H22 | C11 | C12 | H24 | 149.1° | 180.0° |
| H22 | C11 | C12 | H25 | 92.1° | 60.0° |
| H23 | C11 | C12 | H24 | 29.5° | 60.0° |
| H23 | C11 | C12 | H25 | 148.2° | 180.0° |
| H31 | C18 | C19 | H32 | 0.3° | 0.0° |
| H33 | C23 | H34 | H35 | 119.9° | 120.0° |
