J5U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | sing | 1.51Å | 1.48Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| N5 | C9 | sing | 1.39Å | 1.35Å | |
| C26 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | N6 | sing | 1.33Å | 1.34Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| N6 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| C7 | N4 | sing | 1.39Å | 1.33Å | |
| C7 | N3 | doub | 1.33Å | 1.32Å | Aromatic |
| C11 | N1 | sing | 1.40Å | 1.43Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | N3 | sing | 1.33Å | 1.32Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.44Å | |
| C5 | N2 | sing | 1.33Å | 1.39Å | Aromatic |
| C5 | C10 | doub | 1.35Å | 1.36Å | Aromatic |
| N2 | C4 | doub | 1.30Å | 1.30Å | Aromatic |
| N1 | C3 | sing | 1.46Å | 1.48Å | |
| N1 | C4 | sing | 1.39Å | 1.35Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C10 | S1 | sing | 1.76Å | 1.72Å | Aromatic |
| C4 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | N9 | doub | 1.32Å | 1.34Å | Aromatic |
| C17 | N9 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | N7 | sing | 1.47Å | 1.48Å | |
| C20 | N7 | sing | 1.47Å | 1.48Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| N7 | C24 | sing | 1.47Å | 1.48Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C21 | N8 | sing | 1.47Å | 1.47Å | |
| C23 | N8 | sing | 1.47Å | 1.46Å | |
| C22 | N8 | sing | 1.47Å | 1.47Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| N4 | H11 | sing | 0.97Å | 1.00Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| N5 | H13 | sing | 0.97Å | 1.00Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.08Å | 1.08Å | |
| C26 | H35 | sing | 1.08Å | 1.08Å | |
| C27 | H36 | sing | 1.08Å | 1.08Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 120.3° | 119.9° |
| C29 | C28 | C11 | 121.2° | 119.9° |
| C28 | C29 | H37 | 109.5° | 109.5° |
| C28 | C29 | H38 | 109.5° | 109.5° |
| C28 | C29 | H39 | 109.4° | 109.5° |
| C28 | C27 | C26 | 120.9° | 120.2° |
| C27 | C28 | C11 | 118.5° | 120.1° |
| C28 | C27 | H36 | 119.6° | 119.9° |
| C27 | C26 | C13 | 121.2° | 120.0° |
| C27 | C26 | H35 | 119.4° | 120.0° |
| C26 | C27 | H36 | 119.6° | 119.9° |
| C28 | C11 | N1 | 118.3° | 120.0° |
| C28 | C11 | C12 | 120.5° | 120.0° |
| N5 | C9 | C8 | 122.0° | 120.4° |
| N5 | C9 | N6 | 117.0° | 120.4° |
| C9 | N5 | H13 | 109.5° | 120.0° |
| C9 | N5 | H14 | 109.5° | 120.0° |
| C26 | C13 | C12 | 118.0° | 119.9° |
| C26 | C13 | C14 | 121.2° | 120.1° |
| C13 | C26 | H35 | 119.4° | 120.0° |
| C8 | C9 | N6 | 121.0° | 119.2° |
| C9 | C8 | C7 | 116.5° | 118.4° |
| C9 | C8 | H1 | 121.7° | 120.8° |
| C9 | N6 | C6 | 117.8° | 120.8° |
| C8 | C7 | N4 | 123.4° | 120.4° |
| C8 | C7 | N3 | 121.2° | 119.2° |
| C7 | C8 | H1 | 121.8° | 120.8° |
| N6 | C6 | N3 | 124.5° | 121.7° |
| N6 | C6 | C5 | 119.8° | 119.2° |
| N4 | C7 | N3 | 115.3° | 120.4° |
| C7 | N4 | H11 | 109.5° | 120.0° |
| C7 | N4 | H12 | 109.5° | 119.9° |
| C7 | N3 | C6 | 118.9° | 120.8° |
| N1 | C11 | C12 | 121.0° | 120.0° |
| C11 | N1 | C3 | 118.0° | 120.0° |
| C11 | N1 | C4 | 120.8° | 120.0° |
| C11 | C12 | C13 | 120.9° | 119.8° |
| C11 | C12 | H3 | 119.5° | 120.1° |
| N3 | C6 | C5 | 115.6° | 119.2° |
| C6 | C5 | N2 | 119.6° | 122.4° |
| C6 | C5 | C10 | 125.2° | 122.4° |
| N2 | C5 | C10 | 115.3° | 115.2° |
| C5 | N2 | C4 | 110.2° | 116.8° |
| C5 | C10 | S1 | 110.0° | 108.3° |
| C5 | C10 | H2 | 125.0° | 125.9° |
| N2 | C4 | N1 | 124.1° | 125.2° |
| N2 | C4 | S1 | 115.0° | 109.5° |
| C3 | N1 | C4 | 120.5° | 120.0° |
| N1 | C3 | C2 | 114.8° | 109.4° |
| N1 | C3 | H4 | 108.1° | 109.5° |
| N1 | C3 | H5 | 108.1° | 109.5° |
| N1 | C4 | S1 | 120.5° | 125.3° |
| C3 | C2 | C1 | 109.7° | 109.5° |
| C2 | C3 | H4 | 108.1° | 109.5° |
| C2 | C3 | H5 | 108.1° | 109.5° |
| C3 | C2 | H9 | 109.4° | 109.5° |
| C3 | C2 | H10 | 109.4° | 109.5° |
| C10 | S1 | C4 | 89.4° | 90.1° |
| S1 | C10 | H2 | 125.0° | 125.8° |
| C12 | C13 | C14 | 120.6° | 120.1° |
| C13 | C12 | H3 | 119.6° | 120.1° |
| C13 | C14 | C15 | 124.0° | 120.6° |
| C13 | C14 | C25 | 119.7° | 120.5° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C1 | C2 | H9 | 109.4° | 109.5° |
| C1 | C2 | H10 | 109.4° | 109.5° |
| C14 | C15 | C16 | 120.7° | 118.3° |
| C15 | C14 | C25 | 115.9° | 118.9° |
| C14 | C15 | H15 | 119.7° | 120.8° |
| C15 | C16 | C17 | 119.1° | 119.3° |
| C16 | C15 | H15 | 119.7° | 120.9° |
| C15 | C16 | H16 | 120.5° | 120.3° |
| C14 | C25 | N9 | 123.9° | 120.6° |
| C14 | C25 | H34 | 118.1° | 119.7° |
| C16 | C17 | N9 | 121.0° | 121.1° |
| C16 | C17 | C18 | 125.3° | 119.5° |
| C17 | C16 | H16 | 120.5° | 120.4° |
| C25 | N9 | C17 | 119.3° | 121.8° |
| N9 | C25 | H34 | 118.1° | 119.7° |
| N9 | C17 | C18 | 113.6° | 119.5° |
| C17 | C18 | C19 | 120.8° | 109.5° |
| C17 | C18 | H17 | 106.6° | 109.5° |
| C17 | C18 | H18 | 106.6° | 109.4° |
| C18 | C19 | N7 | 111.5° | 109.5° |
| C19 | C18 | H17 | 106.6° | 109.5° |
| C19 | C18 | H18 | 106.6° | 109.5° |
| C18 | C19 | H19 | 109.0° | 109.4° |
| C18 | C19 | H20 | 109.0° | 109.4° |
| C19 | N7 | C20 | 114.5° | 111.0° |
| C19 | N7 | C24 | 113.6° | 111.0° |
| N7 | C19 | H19 | 109.0° | 109.5° |
| N7 | C19 | H20 | 108.9° | 109.5° |
| N7 | C20 | C21 | 112.9° | 109.4° |
| C20 | N7 | C24 | 109.3° | 110.9° |
| N7 | C20 | H22 | 108.6° | 109.5° |
| N7 | C20 | H23 | 108.6° | 109.6° |
| C20 | C21 | N8 | 114.7° | 109.3° |
| C21 | C20 | H22 | 108.6° | 109.5° |
| C21 | C20 | H23 | 108.6° | 109.4° |
| C20 | C21 | H24 | 108.2° | 109.6° |
| C20 | C21 | H25 | 108.2° | 109.5° |
| N7 | C24 | C23 | 110.8° | 109.4° |
| N7 | C24 | H32 | 109.1° | 109.5° |
| N7 | C24 | H33 | 109.2° | 109.5° |
| C24 | C23 | N8 | 111.4° | 109.3° |
| C24 | C23 | H30 | 109.0° | 109.5° |
| C24 | C23 | H31 | 109.0° | 109.4° |
| C23 | C24 | H32 | 109.2° | 109.5° |
| C23 | C24 | H33 | 109.2° | 109.5° |
| C21 | N8 | C23 | 111.7° | 110.9° |
| C21 | N8 | C22 | 112.0° | 111.0° |
| N8 | C21 | H24 | 108.2° | 109.5° |
| N8 | C21 | H25 | 108.2° | 109.4° |
| C23 | N8 | C22 | 112.6° | 111.0° |
| N8 | C23 | H30 | 109.0° | 109.5° |
| N8 | C23 | H31 | 109.0° | 109.5° |
| N8 | C22 | H27 | 109.5° | 109.5° |
| N8 | C22 | H28 | 109.5° | 109.5° |
| N8 | C22 | H29 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H8 | 109.5° | 109.4° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.5° | 109.5° |
| H11 | N4 | H12 | 109.5° | 120.1° |
| H13 | N5 | H14 | 109.4° | 120.0° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.4° |
| H22 | C20 | H23 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.4° | 109.5° |
| H27 | C22 | H28 | 109.5° | 109.5° |
| H27 | C22 | H29 | 109.5° | 109.4° |
| H28 | C22 | H29 | 109.4° | 109.4° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.4° | 109.5° |
| H37 | C29 | H38 | 109.5° | 109.5° |
| H37 | C29 | H39 | 109.5° | 109.5° |
| H38 | C29 | H39 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | C11 | 179.1° | 179.5° |
| C29 | C28 | C27 | C26 | 177.4° | 180.0° |
| C29 | C28 | C11 | N1 | 3.3° | 0.3° |
| C29 | C28 | C11 | C12 | 178.0° | 180.0° |
| C29 | C28 | C27 | H36 | 2.6° | 0.5° |
| C28 | C29 | H37 | H38 | 120.0° | 120.1° |
| C28 | C29 | H37 | H39 | 120.0° | 120.0° |
| C28 | C29 | H38 | H39 | 120.0° | 120.0° |
| C28 | C27 | C26 | H36 | 180.0° | 179.5° |
| C28 | C27 | C26 | C13 | 3.3° | 0.3° |
| C27 | C28 | C11 | N1 | 177.6° | 179.7° |
| C27 | C28 | C11 | C12 | 3.0° | 0.5° |
| C28 | C27 | C26 | H35 | 176.7° | 179.7° |
| C27 | C28 | C29 | H37 | 89.5° | 90.0° |
| C27 | C28 | C29 | H38 | 150.5° | 149.9° |
| C27 | C28 | C29 | H39 | 30.5° | 29.9° |
| C26 | C27 | C28 | C11 | 3.6° | 0.5° |
| C27 | C26 | C13 | H35 | 180.0° | 180.0° |
| C27 | C26 | C13 | C12 | 2.3° | 0.0° |
| C27 | C26 | C13 | C14 | 178.0° | 180.0° |
| C28 | C11 | N1 | C12 | 174.6° | 179.8° |
| C28 | C11 | N1 | C3 | 69.9° | 89.0° |
| C28 | C11 | N1 | C4 | 100.3° | 91.0° |
| C28 | C11 | C12 | C13 | 2.1° | 0.2° |
| C28 | C11 | C12 | H3 | 177.8° | 179.7° |
| C11 | C28 | C27 | H36 | 176.4° | 180.0° |
| C11 | C28 | C29 | H37 | 89.5° | 89.5° |
| C11 | C28 | C29 | H38 | 30.5° | 30.6° |
| C11 | C28 | C29 | H39 | 150.5° | 150.6° |
| N5 | C9 | C8 | N6 | 179.6° | 179.2° |
| N5 | C9 | C8 | C7 | 179.9° | 180.0° |
| N5 | C9 | N6 | C6 | 178.5° | 179.8° |
| N5 | C9 | C8 | H1 | 0.1° | 0.5° |
| C9 | N5 | H13 | H14 | 120.0° | 180.0° |
| C26 | C13 | C12 | C11 | 1.7° | 0.0° |
| C26 | C13 | C12 | C14 | 175.7° | 180.0° |
| C26 | C13 | C14 | C15 | 22.2° | 0.3° |
| C26 | C13 | C14 | C25 | 150.1° | 180.0° |
| C26 | C13 | C12 | H3 | 178.3° | 179.9° |
| C13 | C26 | C27 | H36 | 176.7° | 179.8° |
| C9 | C8 | C7 | H1 | 180.0° | 179.6° |
| C8 | C9 | N6 | C6 | 1.1° | 0.5° |
| C9 | C8 | C7 | N4 | 179.8° | 179.4° |
| C9 | C8 | C7 | N3 | 1.5° | 0.5° |
| C8 | C9 | N5 | H13 | 179.6° | 0.0° |
| C8 | C9 | N5 | H14 | 60.4° | 180.0° |
| N6 | C9 | C8 | C7 | 0.5° | 0.7° |
| C9 | N6 | C6 | N3 | 2.0° | 0.0° |
| C9 | N6 | C6 | C5 | 178.7° | 179.8° |
| N6 | C9 | C8 | H1 | 179.5° | 179.7° |
| N6 | C9 | N5 | H13 | 0.0° | 179.2° |
| N6 | C9 | N5 | H14 | 120.0° | 0.8° |
| C8 | C7 | N4 | N3 | 178.8° | 179.9° |
| C8 | C7 | N3 | C6 | 0.7° | 0.0° |
| C8 | C7 | N4 | H11 | 178.8° | 179.9° |
| C8 | C7 | N4 | H12 | 58.8° | 0.1° |
| N6 | C6 | N3 | C7 | 1.1° | 0.3° |
| N6 | C6 | N3 | C5 | 176.8° | 179.8° |
| N6 | C6 | C5 | N2 | 167.2° | 0.2° |
| N6 | C6 | C5 | C10 | 14.7° | 179.3° |
| N4 | C7 | N3 | C6 | 179.5° | 179.9° |
| N4 | C7 | C8 | H1 | 0.2° | 0.1° |
| C7 | N4 | H11 | H12 | 120.0° | 180.0° |
| C7 | N3 | C6 | C5 | 177.9° | 180.0° |
| N3 | C7 | C8 | H1 | 178.5° | 180.0° |
| N3 | C7 | N4 | H11 | 0.0° | 0.0° |
| N3 | C7 | N4 | H12 | 120.0° | 180.0° |
| C11 | N1 | C4 | N2 | 158.5° | 179.7° |
| C11 | N1 | C3 | C4 | 170.2° | 180.0° |
| C11 | N1 | C3 | C2 | 102.7° | 94.6° |
| C11 | N1 | C4 | S1 | 14.0° | 0.0° |
| N1 | C11 | C12 | C13 | 176.6° | 180.0° |
| N1 | C11 | C12 | H3 | 3.4° | 0.1° |
| C11 | N1 | C3 | H4 | 136.5° | 145.4° |
| C11 | N1 | C3 | H5 | 18.1° | 25.4° |
| C12 | C11 | N1 | C3 | 115.5° | 91.2° |
| C12 | C11 | N1 | C4 | 74.3° | 88.8° |
| C11 | C12 | C13 | H3 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 177.4° | 179.9° |
| N3 | C6 | C5 | N2 | 9.8° | 180.0° |
| N3 | C6 | C5 | C10 | 168.4° | 0.5° |
| C6 | C5 | N2 | C10 | 178.3° | 179.6° |
| C6 | C5 | N2 | C4 | 179.2° | 180.0° |
| C6 | C5 | C10 | S1 | 179.3° | 179.8° |
| C6 | C5 | C10 | H2 | 0.7° | 0.4° |
| C5 | N2 | C4 | N1 | 174.0° | 179.7° |
| N2 | C5 | C10 | S1 | 2.5° | 0.6° |
| C5 | N2 | C4 | S1 | 1.2° | 0.0° |
| N2 | C5 | C10 | H2 | 177.5° | 180.0° |
| C10 | C5 | N2 | C4 | 0.9° | 0.4° |
| C5 | C10 | S1 | H2 | 180.0° | 179.4° |
| C5 | C10 | S1 | C4 | 2.5° | 0.5° |
| N2 | C4 | N1 | C3 | 11.5° | 0.3° |
| N2 | C4 | N1 | S1 | 172.5° | 179.7° |
| N2 | C4 | S1 | C10 | 2.2° | 0.3° |
| N1 | C3 | C2 | H4 | 120.8° | 120.0° |
| N1 | C3 | C2 | H5 | 120.8° | 120.0° |
| C3 | N1 | C4 | S1 | 176.0° | 180.0° |
| N1 | C3 | C2 | C1 | 179.6° | 176.7° |
| N1 | C3 | H4 | H5 | 117.6° | 120.0° |
| N1 | C3 | C2 | H9 | 60.4° | 56.7° |
| N1 | C3 | C2 | H10 | 59.6° | 63.3° |
| C4 | N1 | C3 | C2 | 87.1° | 85.5° |
| N1 | C4 | S1 | C10 | 175.3° | 180.0° |
| C4 | N1 | C3 | H4 | 33.7° | 34.5° |
| C4 | N1 | C3 | H5 | 152.2° | 154.6° |
| C3 | C2 | C1 | H9 | 120.0° | 120.0° |
| C3 | C2 | C1 | H10 | 120.0° | 120.0° |
| C2 | C3 | H4 | H5 | 117.6° | 120.0° |
| C3 | C2 | C1 | H6 | 180.0° | 60.0° |
| C3 | C2 | C1 | H7 | 60.0° | 180.0° |
| C3 | C2 | C1 | H8 | 60.0° | 60.0° |
| C3 | C2 | H9 | H10 | 119.9° | 120.0° |
| C4 | S1 | C10 | H2 | 177.5° | 179.9° |
| C12 | C13 | C14 | C15 | 162.2° | 179.7° |
| C12 | C13 | C14 | C25 | 25.4° | 0.0° |
| C12 | C13 | C26 | H35 | 177.7° | 180.0° |
| C13 | C14 | C15 | C25 | 172.6° | 179.7° |
| C13 | C14 | C15 | C16 | 177.7° | 179.7° |
| C13 | C14 | C25 | N9 | 177.7° | 179.7° |
| C14 | C13 | C12 | H3 | 2.5° | 0.0° |
| C13 | C14 | C15 | H15 | 2.3° | 0.3° |
| C13 | C14 | C25 | H34 | 2.3° | 0.0° |
| C14 | C13 | C26 | H35 | 2.0° | 0.0° |
| C1 | C2 | C3 | H4 | 58.8° | 63.3° |
| C1 | C2 | C3 | H5 | 59.6° | 56.7° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C1 | C2 | H9 | H10 | 119.9° | 120.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 4.0° | 0.1° |
| C15 | C14 | C25 | N9 | 4.8° | 0.0° |
| C14 | C15 | C16 | H16 | 176.0° | 180.0° |
| C15 | C14 | C25 | H34 | 175.3° | 179.7° |
| C16 | C15 | C14 | C25 | 5.0° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | N9 | 2.2° | 0.1° |
| C15 | C16 | C17 | C18 | 177.0° | 180.0° |
| C14 | C25 | N9 | H34 | 180.0° | 179.7° |
| C14 | C25 | N9 | C17 | 3.2° | 0.0° |
| C25 | C14 | C15 | H15 | 174.9° | 180.0° |
| C16 | C17 | N9 | C25 | 1.8° | 0.1° |
| C16 | C17 | N9 | C18 | 175.4° | 179.9° |
| C16 | C17 | C18 | C19 | 36.2° | 125.0° |
| C17 | C16 | C15 | H15 | 176.0° | 180.0° |
| C16 | C17 | C18 | H17 | 157.8° | 114.9° |
| C16 | C17 | C18 | H18 | 85.4° | 5.1° |
| C25 | N9 | C17 | C18 | 177.2° | 180.0° |
| N9 | C17 | C18 | C19 | 148.6° | 55.0° |
| N9 | C17 | C16 | H16 | 177.8° | 180.0° |
| N9 | C17 | C18 | H17 | 27.0° | 65.0° |
| N9 | C17 | C18 | H18 | 89.8° | 175.0° |
| C17 | N9 | C25 | H34 | 176.8° | 179.7° |
| C17 | C18 | C19 | H17 | 121.6° | 120.0° |
| C17 | C18 | C19 | H18 | 121.6° | 120.0° |
| C17 | C18 | C19 | N7 | 159.0° | 180.0° |
| C18 | C17 | C16 | H16 | 2.9° | 0.1° |
| C17 | C18 | H17 | H18 | 114.9° | 120.0° |
| C17 | C18 | C19 | H19 | 80.7° | 60.0° |
| C17 | C18 | C19 | H20 | 38.7° | 59.9° |
| C18 | C19 | N7 | H19 | 120.3° | 120.0° |
| C18 | C19 | N7 | H20 | 120.3° | 120.0° |
| C18 | C19 | N7 | C20 | 171.9° | 66.2° |
| C18 | C19 | N7 | C24 | 45.3° | 170.0° |
| C19 | C18 | H17 | H18 | 114.9° | 120.0° |
| C18 | C19 | H19 | H20 | 119.1° | 119.9° |
| C19 | N7 | C20 | C24 | 128.8° | 123.9° |
| C19 | N7 | C20 | C21 | 132.9° | 176.8° |
| C19 | N7 | C24 | C23 | 173.1° | 176.8° |
| N7 | C19 | C18 | H17 | 37.4° | 60.0° |
| N7 | C19 | C18 | H18 | 79.4° | 60.0° |
| N7 | C19 | H19 | H20 | 119.0° | 120.1° |
| C19 | N7 | C20 | H22 | 12.4° | 63.2° |
| C19 | N7 | C20 | H23 | 106.5° | 56.8° |
| C19 | N7 | C24 | H32 | 52.9° | 56.8° |
| C19 | N7 | C24 | H33 | 66.7° | 63.2° |
| N7 | C20 | C21 | H22 | 120.5° | 120.0° |
| N7 | C20 | C21 | H23 | 120.5° | 120.0° |
| C20 | N7 | C24 | C23 | 57.7° | 59.3° |
| N7 | C20 | C21 | N8 | 49.2° | 58.4° |
| C20 | N7 | C19 | H19 | 51.6° | 173.8° |
| C20 | N7 | C19 | H20 | 67.8° | 53.8° |
| N7 | C20 | H22 | H23 | 118.4° | 120.1° |
| N7 | C20 | C21 | H24 | 71.6° | 178.3° |
| N7 | C20 | C21 | H25 | 169.9° | 61.5° |
| C20 | N7 | C24 | H32 | 177.9° | 179.3° |
| C20 | N7 | C24 | H33 | 62.5° | 60.6° |
| C21 | C20 | N7 | C24 | 4.2° | 59.3° |
| C20 | C21 | N8 | H24 | 120.8° | 120.0° |
| C20 | C21 | N8 | H25 | 120.8° | 120.0° |
| C20 | C21 | N8 | C23 | 46.1° | 59.3° |
| C20 | C21 | N8 | C22 | 81.2° | 176.8° |
| C21 | C20 | H22 | H23 | 118.4° | 120.0° |
| C20 | C21 | H24 | H25 | 117.6° | 120.1° |
| N7 | C24 | C23 | H32 | 120.2° | 120.0° |
| N7 | C24 | C23 | H33 | 120.2° | 119.9° |
| N7 | C24 | C23 | N8 | 61.5° | 58.3° |
| C24 | N7 | C19 | H19 | 75.0° | 50.0° |
| C24 | N7 | C19 | H20 | 165.7° | 70.0° |
| C24 | N7 | C20 | H22 | 116.4° | 60.7° |
| C24 | N7 | C20 | H23 | 124.7° | 179.3° |
| N7 | C24 | C23 | H30 | 58.8° | 178.3° |
| N7 | C24 | C23 | H31 | 178.2° | 61.6° |
| N7 | C24 | H32 | H33 | 119.4° | 120.0° |
| C24 | C23 | N8 | C21 | 7.5° | 59.3° |
| C24 | C23 | N8 | H30 | 120.3° | 120.0° |
| C24 | C23 | N8 | H31 | 120.3° | 119.9° |
| C24 | C23 | N8 | C22 | 134.5° | 176.8° |
| C24 | C23 | H30 | H31 | 119.2° | 120.0° |
| C23 | C24 | H32 | H33 | 119.4° | 120.0° |
| C21 | N8 | C23 | C22 | 127.0° | 123.9° |
| N8 | C21 | C20 | H22 | 169.7° | 61.6° |
| N8 | C21 | C20 | H23 | 71.4° | 178.4° |
| N8 | C21 | H24 | H25 | 117.6° | 120.0° |
| C21 | N8 | C22 | H27 | 180.0° | 60.0° |
| C21 | N8 | C22 | H28 | 60.0° | 179.9° |
| C21 | N8 | C22 | H29 | 60.0° | 60.0° |
| C21 | N8 | C23 | H30 | 112.8° | 179.3° |
| C21 | N8 | C23 | H31 | 127.8° | 60.6° |
| C23 | N8 | C21 | H24 | 74.7° | 179.3° |
| C23 | N8 | C21 | H25 | 166.9° | 60.7° |
| C23 | N8 | C22 | H27 | 53.2° | 63.8° |
| C23 | N8 | C22 | H28 | 173.2° | 56.2° |
| C23 | N8 | C22 | H29 | 66.8° | 176.2° |
| N8 | C23 | H30 | H31 | 119.1° | 120.1° |
| N8 | C23 | C24 | H32 | 178.3° | 178.4° |
| N8 | C23 | C24 | H33 | 58.7° | 61.6° |
| C22 | N8 | C21 | H24 | 158.0° | 56.8° |
| C22 | N8 | C21 | H25 | 39.6° | 63.2° |
| N8 | C22 | H27 | H28 | 120.0° | 120.0° |
| N8 | C22 | H27 | H29 | 120.0° | 120.0° |
| N8 | C22 | H28 | H29 | 120.0° | 120.0° |
| C22 | N8 | C23 | H30 | 14.2° | 56.8° |
| C22 | N8 | C23 | H31 | 105.2° | 63.3° |
| H4 | C3 | C2 | H9 | 178.8° | 176.7° |
| H4 | C3 | C2 | H10 | 61.2° | 56.7° |
| H5 | C3 | C2 | H9 | 60.4° | 63.3° |
| H5 | C3 | C2 | H10 | 179.7° | 176.7° |
| H6 | C1 | H7 | H8 | 120.0° | 120.0° |
| H6 | C1 | C2 | H9 | 59.9° | 60.0° |
| H6 | C1 | C2 | H10 | 60.0° | 179.9° |
| H7 | C1 | C2 | H9 | 180.0° | 60.0° |
| H7 | C1 | C2 | H10 | 60.0° | 60.0° |
| H8 | C1 | C2 | H9 | 60.1° | NaN° |
| H8 | C1 | C2 | H10 | 180.0° | 60.0° |
| H15 | C15 | C16 | H16 | 4.0° | 0.1° |
| H17 | C18 | C19 | H19 | 157.7° | 180.0° |
| H17 | C18 | C19 | H20 | 82.9° | 60.0° |
| H18 | C18 | C19 | H19 | 40.9° | 60.0° |
| H18 | C18 | C19 | H20 | 160.3° | 179.9° |
| H22 | C20 | C21 | H24 | 48.9° | 58.3° |
| H22 | C20 | C21 | H25 | 69.6° | 178.5° |
| H23 | C20 | C21 | H24 | 167.8° | 61.6° |
| H23 | C20 | C21 | H25 | 49.4° | 58.5° |
| H27 | C22 | H28 | H29 | 120.0° | 120.0° |
| H30 | C23 | C24 | H32 | 61.4° | 61.6° |
| H30 | C23 | C24 | H33 | 179.0° | 58.4° |
| H31 | C23 | C24 | H32 | 58.0° | 58.5° |
| H31 | C23 | C24 | H33 | 61.5° | 178.5° |
| H35 | C26 | C27 | H36 | 3.3° | 0.2° |
| H37 | C29 | H38 | H39 | 120.0° | 120.0° |
