5NZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C8 | sing | 1.40Å | 1.35Å | |
| C7 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.37Å | 1.40Å | Aromatic |
| C8 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C18 | sing | 1.41Å | 1.51Å | Aromatic |
| C5 | C4 | sing | 1.47Å | 1.49Å | Aromatic |
| C18 | N3 | sing | 1.34Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.37Å | 1.40Å | Aromatic |
| C4 | C10 | sing | 1.42Å | 1.49Å | Aromatic |
| N3 | C20 | sing | 1.47Å | 1.49Å | |
| N3 | C11 | doub | 1.31Å | 1.43Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.46Å | 1.50Å | Aromatic |
| C10 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.49Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C22 | C24 | sing | 1.53Å | 1.52Å | |
| C1 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | N1 | sing | 1.40Å | 1.36Å | |
| C17 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | doub | 1.35Å | 1.39Å | Aromatic |
| C27 | N6 | sing | 1.34Å | 1.36Å | Aromatic |
| C26 | N4 | sing | 1.35Å | 1.34Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C34 | doub | 1.36Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| N6 | N5 | doub | 1.29Å | 1.40Å | Aromatic |
| N4 | C28 | sing | 1.47Å | 1.46Å | |
| N4 | N5 | sing | 1.29Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.41Å | 1.39Å | Aromatic |
| C36 | C32 | doub | 1.36Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.49Å | |
| C32 | C31 | sing | 1.40Å | 1.40Å | Aromatic |
| C33 | C31 | doub | 1.41Å | 1.48Å | Aromatic |
| C33 | N8 | sing | 1.33Å | 1.35Å | Aromatic |
| C31 | C30 | sing | 1.41Å | 1.49Å | Aromatic |
| N8 | C37 | doub | 1.32Å | 1.36Å | Aromatic |
| C30 | N7 | sing | 1.39Å | 1.35Å | |
| C30 | C39 | doub | 1.39Å | 1.50Å | Aromatic |
| C37 | C38 | sing | 1.51Å | 1.53Å | |
| C37 | C39 | sing | 1.38Å | 1.51Å | Aromatic |
| C29 | N7 | sing | 1.47Å | 1.44Å | |
| C38 | C42 | sing | 1.53Å | 1.52Å | |
| C39 | C40 | sing | 1.51Å | 1.52Å | |
| C42 | C41 | sing | 1.52Å | 1.53Å | |
| C40 | C41 | sing | 1.53Å | 1.54Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| N1 | H15 | sing | 0.97Å | 1.00Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| N7 | H31 | sing | 1.01Å | 1.00Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H35 | sing | 1.08Å | 1.08Å | |
| C38 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å | |
| C41 | H40 | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C8 | C7 | 120.6° | 119.7° |
| N2 | C8 | C19 | 118.3° | 119.6° |
| C8 | N2 | H1 | 109.5° | 120.0° |
| C8 | N2 | H2 | 109.5° | 120.0° |
| C8 | C7 | C6 | 120.5° | 120.5° |
| C7 | C8 | C19 | 121.0° | 120.7° |
| C8 | C7 | H3 | 119.8° | 119.8° |
| C7 | C6 | C5 | 120.2° | 120.0° |
| C6 | C7 | H3 | 119.7° | 119.7° |
| C7 | C6 | H4 | 119.9° | 120.0° |
| C8 | C19 | C18 | 122.1° | 119.8° |
| C8 | C19 | H5 | 118.9° | 120.1° |
| C6 | C5 | C18 | 120.0° | 120.2° |
| C6 | C5 | C4 | 121.2° | 121.1° |
| C5 | C6 | H4 | 119.9° | 120.0° |
| C19 | C18 | C5 | 116.2° | 118.8° |
| C19 | C18 | N3 | 121.3° | 120.1° |
| C18 | C19 | H5 | 119.0° | 120.1° |
| C18 | C5 | C4 | 118.8° | 118.7° |
| C5 | C18 | N3 | 122.5° | 121.0° |
| C5 | C4 | C3 | 122.9° | 122.4° |
| C5 | C4 | C10 | 117.3° | 117.6° |
| C18 | N3 | C20 | 120.1° | 118.3° |
| C18 | N3 | C11 | 120.9° | 123.4° |
| C4 | C3 | C2 | 119.4° | 119.7° |
| C3 | C4 | C10 | 119.9° | 120.0° |
| C4 | C3 | H12 | 120.3° | 120.1° |
| C3 | C2 | C1 | 120.7° | 120.8° |
| C2 | C3 | H12 | 120.3° | 120.2° |
| C3 | C2 | H13 | 119.7° | 119.6° |
| C4 | C10 | C11 | 119.6° | 118.5° |
| C4 | C10 | C9 | 118.2° | 119.5° |
| C20 | N3 | C11 | 118.7° | 118.3° |
| N3 | C20 | C21 | 113.3° | 109.5° |
| N3 | C20 | H16 | 108.5° | 109.5° |
| N3 | C20 | H17 | 108.5° | 109.5° |
| N3 | C11 | C10 | 120.7° | 120.8° |
| N3 | C11 | C12 | 119.6° | 119.6° |
| C20 | C21 | C22 | 111.9° | 109.5° |
| C21 | C20 | H16 | 108.5° | 109.5° |
| C21 | C20 | H17 | 108.5° | 109.4° |
| C20 | C21 | H18 | 108.9° | 109.5° |
| C20 | C21 | H19 | 108.9° | 109.4° |
| C2 | C1 | C9 | 121.5° | 120.6° |
| C2 | C1 | N1 | 119.7° | 119.7° |
| C1 | C2 | H13 | 119.6° | 119.6° |
| C11 | C10 | C9 | 122.2° | 122.0° |
| C10 | C11 | C12 | 119.5° | 119.6° |
| C10 | C9 | C1 | 120.1° | 119.4° |
| C10 | C9 | H11 | 119.9° | 120.3° |
| C11 | C12 | C17 | 120.7° | 120.1° |
| C11 | C12 | C13 | 118.5° | 120.2° |
| C21 | C22 | C24 | 106.0° | 109.4° |
| C22 | C21 | H18 | 108.8° | 109.5° |
| C22 | C21 | H19 | 108.8° | 109.4° |
| C21 | C22 | H20 | 110.4° | 109.5° |
| C21 | C22 | H21 | 110.4° | 109.4° |
| C22 | C24 | C25 | 111.7° | 109.4° |
| C24 | C22 | H20 | 110.3° | 109.5° |
| C24 | C22 | H21 | 110.3° | 109.5° |
| C22 | C24 | H22 | 108.9° | 109.5° |
| C22 | C24 | H23 | 108.9° | 109.5° |
| C9 | C1 | N1 | 118.8° | 119.7° |
| C1 | C9 | H11 | 119.9° | 120.3° |
| C1 | N1 | H14 | 109.5° | 120.0° |
| C1 | N1 | H15 | 109.5° | 120.0° |
| C12 | C17 | C16 | 119.7° | 119.9° |
| C17 | C12 | C13 | 120.8° | 119.7° |
| C12 | C17 | H10 | 120.1° | 120.1° |
| C17 | C16 | C15 | 119.4° | 120.1° |
| C17 | C16 | H9 | 120.3° | 120.0° |
| C16 | C17 | H10 | 120.2° | 120.0° |
| C12 | C13 | C14 | 119.6° | 119.9° |
| C12 | C13 | H6 | 120.2° | 120.0° |
| C24 | C25 | C26 | 109.9° | 109.4° |
| C25 | C24 | H22 | 108.9° | 109.4° |
| C25 | C24 | H23 | 108.9° | 109.5° |
| C24 | C25 | H24 | 109.4° | 109.5° |
| C24 | C25 | H25 | 109.4° | 109.5° |
| C25 | C26 | C27 | 126.5° | 126.9° |
| C25 | C26 | N4 | 126.5° | 126.9° |
| C26 | C25 | H24 | 109.4° | 109.5° |
| C26 | C25 | H25 | 109.4° | 109.4° |
| C16 | C15 | C14 | 121.0° | 120.3° |
| C16 | C15 | H8 | 119.5° | 119.8° |
| C15 | C16 | H9 | 120.3° | 119.9° |
| C13 | C14 | C15 | 119.5° | 120.1° |
| C14 | C13 | H6 | 120.2° | 120.1° |
| C13 | C14 | H7 | 120.2° | 119.9° |
| C26 | C27 | N6 | 108.9° | 106.5° |
| C27 | C26 | N4 | 106.9° | 106.2° |
| C26 | C27 | H26 | 125.5° | 126.8° |
| C27 | N6 | N5 | 107.9° | 108.9° |
| N6 | C27 | H26 | 125.6° | 126.7° |
| C26 | N4 | C28 | 132.0° | 125.8° |
| C26 | N4 | N5 | 110.4° | 108.2° |
| C15 | C14 | H7 | 120.2° | 120.0° |
| C14 | C15 | H8 | 119.5° | 119.8° |
| C34 | C35 | C36 | 122.0° | 121.1° |
| C35 | C34 | C33 | 119.2° | 119.7° |
| C35 | C34 | H33 | 120.4° | 120.1° |
| C34 | C35 | H34 | 119.0° | 119.5° |
| C35 | C36 | C32 | 121.0° | 120.8° |
| C36 | C35 | H34 | 119.0° | 119.4° |
| C35 | C36 | H35 | 119.5° | 119.6° |
| N6 | N5 | N4 | 105.9° | 110.2° |
| C28 | N4 | N5 | 117.2° | 125.9° |
| N4 | C28 | C29 | 110.0° | 109.5° |
| N4 | C28 | H27 | 109.3° | 109.5° |
| N4 | C28 | H28 | 109.3° | 109.4° |
| C34 | C33 | C31 | 118.2° | 119.0° |
| C34 | C33 | N8 | 120.7° | 121.2° |
| C33 | C34 | H33 | 120.4° | 120.2° |
| C36 | C32 | C31 | 118.4° | 119.6° |
| C36 | C32 | H32 | 120.8° | 120.2° |
| C32 | C36 | H35 | 119.5° | 119.6° |
| C28 | C29 | N7 | 116.4° | 109.5° |
| C29 | C28 | H27 | 109.3° | 109.5° |
| C29 | C28 | H28 | 109.4° | 109.4° |
| C28 | C29 | H29 | 107.7° | 109.5° |
| C28 | C29 | H30 | 107.7° | 109.5° |
| C32 | C31 | C33 | 120.4° | 119.8° |
| C32 | C31 | C30 | 120.8° | 121.7° |
| C31 | C32 | H32 | 120.8° | 120.1° |
| C31 | C33 | N8 | 121.1° | 119.7° |
| C33 | C31 | C30 | 118.8° | 118.6° |
| C33 | N8 | C37 | 124.3° | 122.6° |
| C31 | C30 | N7 | 114.5° | 120.8° |
| C31 | C30 | C39 | 117.2° | 118.5° |
| N8 | C37 | C38 | 116.6° | 117.0° |
| N8 | C37 | C39 | 120.3° | 121.0° |
| N7 | C30 | C39 | 128.0° | 120.8° |
| C30 | N7 | C29 | 124.4° | 111.0° |
| C30 | N7 | H31 | 105.6° | 111.0° |
| C30 | C39 | C37 | 117.8° | 119.6° |
| C30 | C39 | C40 | 123.2° | 117.5° |
| C38 | C37 | C39 | 123.1° | 122.0° |
| C37 | C38 | C42 | 112.5° | 110.6° |
| C37 | C38 | H36 | 108.7° | 109.2° |
| C37 | C38 | H37 | 108.7° | 109.2° |
| C37 | C39 | C40 | 119.0° | 122.8° |
| N7 | C29 | H29 | 107.7° | 109.4° |
| N7 | C29 | H30 | 107.7° | 109.5° |
| C29 | N7 | H31 | 105.6° | 111.1° |
| C38 | C42 | C41 | 111.6° | 108.8° |
| C42 | C38 | H36 | 108.7° | 109.3° |
| C42 | C38 | H37 | 108.7° | 109.3° |
| C38 | C42 | H42 | 108.9° | 109.6° |
| C38 | C42 | H43 | 109.0° | 109.6° |
| C39 | C40 | C41 | 109.8° | 110.6° |
| C39 | C40 | H38 | 109.4° | 109.3° |
| C39 | C40 | H39 | 109.4° | 109.3° |
| C42 | C41 | C40 | 111.8° | 108.7° |
| C42 | C41 | H40 | 108.9° | 109.9° |
| C42 | C41 | H41 | 108.9° | 109.2° |
| C41 | C42 | H42 | 108.9° | 109.8° |
| C41 | C42 | H43 | 108.9° | 109.1° |
| C41 | C40 | H38 | 109.4° | 109.2° |
| C41 | C40 | H39 | 109.4° | 109.2° |
| C40 | C41 | H40 | 108.9° | 109.7° |
| C40 | C41 | H41 | 108.9° | 109.6° |
| H1 | N2 | H2 | 109.5° | 120.0° |
| H14 | N1 | H15 | 109.4° | 120.0° |
| H16 | C20 | H17 | 109.5° | 109.4° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H27 | C28 | H28 | 109.5° | 109.6° |
| H29 | C29 | H30 | 109.5° | 109.4° |
| H36 | C38 | H37 | 109.5° | 109.2° |
| H38 | C40 | H39 | 109.5° | 109.3° |
| H40 | C41 | H41 | 109.5° | 109.7° |
| H42 | C42 | H43 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C8 | C7 | C19 | 174.5° | 179.8° |
| N2 | C8 | C7 | C6 | 172.4° | 180.0° |
| N2 | C8 | C19 | C18 | 170.5° | 179.8° |
| C8 | N2 | H1 | H2 | 120.0° | 179.8° |
| N2 | C8 | C7 | H3 | 7.6° | 0.0° |
| N2 | C8 | C19 | H5 | 9.5° | 0.1° |
| C8 | C7 | C6 | H3 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C7 | C8 | C19 | C18 | 4.1° | 0.4° |
| C7 | C8 | N2 | H1 | 180.0° | 179.8° |
| C7 | C8 | N2 | H2 | 60.0° | 0.0° |
| C8 | C7 | C6 | H4 | 179.8° | 180.0° |
| C7 | C8 | C19 | H5 | 175.9° | 179.7° |
| C6 | C7 | C8 | C19 | 2.1° | 0.3° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | C18 | 0.2° | 0.0° |
| C7 | C6 | C5 | C4 | 179.3° | 180.0° |
| C8 | C19 | C18 | H5 | 180.0° | 179.9° |
| C8 | C19 | C18 | C5 | 3.9° | 0.4° |
| C8 | C19 | C18 | N3 | 175.7° | 179.7° |
| C19 | C8 | N2 | H1 | 5.3° | 0.0° |
| C19 | C8 | N2 | H2 | 125.3° | 179.8° |
| C19 | C8 | C7 | H3 | 177.9° | 179.8° |
| C6 | C5 | C18 | C19 | 1.9° | 0.2° |
| C6 | C5 | C18 | C4 | 179.4° | 180.0° |
| C6 | C5 | C18 | N3 | 177.7° | 179.9° |
| C6 | C5 | C4 | C3 | 2.0° | 0.1° |
| C6 | C5 | C4 | C10 | 178.0° | 180.0° |
| C5 | C6 | C7 | H3 | 179.8° | 180.0° |
| C19 | C18 | C5 | N3 | 179.6° | 179.9° |
| C19 | C18 | C5 | C4 | 177.5° | 179.8° |
| C19 | C18 | N3 | C20 | 3.8° | 0.1° |
| C19 | C18 | N3 | C11 | 177.6° | 179.8° |
| C18 | C5 | C4 | C3 | 177.4° | 180.0° |
| C18 | C5 | C4 | C10 | 2.5° | 0.0° |
| C5 | C18 | N3 | C20 | 176.6° | 180.0° |
| C5 | C18 | N3 | C11 | 2.8° | 0.1° |
| C18 | C5 | C6 | H4 | 179.8° | 180.0° |
| C5 | C18 | C19 | H5 | 176.1° | 179.7° |
| C4 | C5 | C18 | N3 | 2.9° | 0.0° |
| C5 | C4 | C3 | C10 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 174.3° | 179.9° |
| C5 | C4 | C10 | C11 | 2.2° | 0.1° |
| C5 | C4 | C10 | C9 | 177.5° | 180.0° |
| C4 | C5 | C6 | H4 | 0.8° | 0.0° |
| C5 | C4 | C3 | H12 | 5.7° | 0.0° |
| C18 | N3 | C20 | C11 | 174.0° | 179.9° |
| C18 | N3 | C20 | C21 | 85.8° | 89.2° |
| C18 | N3 | C11 | C10 | 2.4° | 0.1° |
| C18 | N3 | C11 | C12 | 178.4° | 180.0° |
| N3 | C18 | C19 | H5 | 4.3° | 0.2° |
| C18 | N3 | C20 | H16 | 153.6° | 150.7° |
| C18 | N3 | C20 | H17 | 34.7° | 30.7° |
| C4 | C3 | C2 | H12 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 6.0° | 0.1° |
| C3 | C4 | C10 | C11 | 177.7° | 180.0° |
| C3 | C4 | C10 | C9 | 2.6° | 0.0° |
| C4 | C3 | C2 | H13 | 174.0° | 180.0° |
| C2 | C3 | C4 | C10 | 5.7° | 0.0° |
| C3 | C2 | C1 | H13 | 180.0° | 179.9° |
| C3 | C2 | C1 | C9 | 3.0° | 0.1° |
| C3 | C2 | C1 | N1 | 174.5° | 180.0° |
| C4 | C10 | C11 | N3 | 2.2° | 0.0° |
| C4 | C10 | C11 | C9 | 179.7° | 180.0° |
| C4 | C10 | C11 | C12 | 178.1° | 180.0° |
| C4 | C10 | C9 | C1 | 0.4° | 0.0° |
| C4 | C10 | C9 | H11 | 179.6° | 180.0° |
| C10 | C4 | C3 | H12 | 174.3° | 180.0° |
| N3 | C20 | C21 | H16 | 120.6° | 120.0° |
| N3 | C20 | C21 | H17 | 120.6° | 120.0° |
| C20 | N3 | C11 | C10 | 176.3° | 180.0° |
| C20 | N3 | C11 | C12 | 7.7° | 0.0° |
| N3 | C20 | C21 | C22 | 176.6° | 180.0° |
| N3 | C20 | H16 | H17 | 118.3° | 120.1° |
| N3 | C20 | C21 | H18 | 56.2° | 60.0° |
| N3 | C20 | C21 | H19 | 63.0° | 60.0° |
| C11 | N3 | C20 | C21 | 100.2° | 90.8° |
| N3 | C11 | C10 | C12 | 176.0° | 180.0° |
| N3 | C11 | C10 | C9 | 177.5° | 180.0° |
| N3 | C11 | C12 | C17 | 92.6° | 119.6° |
| N3 | C11 | C12 | C13 | 86.6° | 60.2° |
| C11 | N3 | C20 | H16 | 20.4° | 29.2° |
| C11 | N3 | C20 | H17 | 139.2° | 149.2° |
| C20 | C21 | C22 | H18 | 120.4° | 120.0° |
| C20 | C21 | C22 | H19 | 120.4° | 119.9° |
| C20 | C21 | C22 | C24 | 148.4° | 175.2° |
| C21 | C20 | H16 | H17 | 118.2° | 119.9° |
| C20 | C21 | H18 | H19 | 118.9° | 120.0° |
| C20 | C21 | C22 | H20 | 29.0° | 55.2° |
| C20 | C21 | C22 | H21 | 92.1° | 64.8° |
| C2 | C1 | C9 | C10 | 0.2° | 0.0° |
| C2 | C1 | C9 | N1 | 177.6° | 179.9° |
| C2 | C1 | C9 | H11 | 179.8° | 180.0° |
| C1 | C2 | C3 | H12 | 174.0° | 180.0° |
| C2 | C1 | N1 | H14 | 180.0° | 0.1° |
| C2 | C1 | N1 | H15 | 60.0° | 179.9° |
| C11 | C10 | C9 | C1 | 179.3° | 180.0° |
| C10 | C11 | C12 | C17 | 91.4° | 60.4° |
| C10 | C11 | C12 | C13 | 89.4° | 119.8° |
| C11 | C10 | C9 | H11 | 0.7° | 0.0° |
| C9 | C10 | C11 | C12 | 1.6° | 0.0° |
| C10 | C9 | C1 | H11 | 180.0° | 180.0° |
| C10 | C9 | C1 | N1 | 177.8° | 180.0° |
| C11 | C12 | C17 | C13 | 179.2° | 179.8° |
| C11 | C12 | C17 | C16 | 178.4° | 179.7° |
| C11 | C12 | C13 | C14 | 178.2° | 180.0° |
| C11 | C12 | C13 | H6 | 1.8° | 0.0° |
| C11 | C12 | C17 | H10 | 1.6° | 0.1° |
| C21 | C22 | C24 | H20 | 119.5° | 120.0° |
| C21 | C22 | C24 | H21 | 119.5° | 120.0° |
| C21 | C22 | C24 | C25 | 176.6° | 175.2° |
| C22 | C21 | C20 | H16 | 62.8° | 59.9° |
| C22 | C21 | C20 | H17 | 56.0° | 60.0° |
| C22 | C21 | H18 | H19 | 118.9° | 120.0° |
| C21 | C22 | H20 | H21 | 121.7° | 120.0° |
| C21 | C22 | C24 | H22 | 63.0° | 64.8° |
| C21 | C22 | C24 | H23 | 56.3° | 55.2° |
| C22 | C24 | C25 | H22 | 120.4° | 120.0° |
| C22 | C24 | C25 | H23 | 120.3° | 120.0° |
| C22 | C24 | C25 | C26 | 165.6° | 175.2° |
| C24 | C22 | C21 | H18 | 91.2° | 64.8° |
| C24 | C22 | C21 | H19 | 28.0° | 55.2° |
| C24 | C22 | H20 | H21 | 121.6° | 120.1° |
| C22 | C24 | H22 | H23 | 118.9° | 120.0° |
| C22 | C24 | C25 | H24 | 74.3° | 55.2° |
| C22 | C24 | C25 | H25 | 45.6° | 64.8° |
| C9 | C1 | C2 | H13 | 177.0° | 180.0° |
| C9 | C1 | N1 | H14 | 2.4° | 180.0° |
| C9 | C1 | N1 | H15 | 122.4° | 0.0° |
| N1 | C1 | C9 | H11 | 2.2° | 0.0° |
| N1 | C1 | C2 | H13 | 5.4° | 0.1° |
| C1 | N1 | H14 | H15 | 120.0° | 180.0° |
| C12 | C17 | C16 | H10 | 180.0° | 179.8° |
| C12 | C17 | C16 | C15 | 0.9° | 0.5° |
| C17 | C12 | C13 | C14 | 1.0° | 0.2° |
| C17 | C12 | C13 | H6 | 179.0° | 179.8° |
| C12 | C17 | C16 | H9 | 179.1° | 179.7° |
| C16 | C17 | C12 | C13 | 0.8° | 0.5° |
| C17 | C16 | C15 | H9 | 180.0° | 179.8° |
| C17 | C16 | C15 | C14 | 1.2° | 0.3° |
| C17 | C16 | C15 | H8 | 178.8° | 179.7° |
| C12 | C13 | C14 | H6 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.3° | 0.0° |
| C12 | C13 | C14 | H7 | 178.6° | 180.0° |
| C13 | C12 | C17 | H10 | 179.2° | 179.7° |
| C24 | C25 | C26 | H24 | 120.1° | 120.0° |
| C24 | C25 | C26 | H25 | 120.1° | 120.0° |
| C24 | C25 | C26 | C27 | 105.0° | 85.1° |
| C24 | C25 | C26 | N4 | 77.6° | 94.7° |
| C25 | C24 | C22 | H20 | 57.2° | 55.2° |
| C25 | C24 | C22 | H21 | 63.9° | 64.8° |
| C25 | C24 | H22 | H23 | 119.0° | 120.0° |
| C24 | C25 | H24 | H25 | 119.8° | 120.1° |
| C25 | C26 | C27 | N4 | 177.8° | 179.8° |
| C25 | C26 | C27 | N6 | 178.3° | 179.9° |
| C25 | C26 | N4 | C28 | 4.4° | 0.0° |
| C25 | C26 | N4 | N5 | 177.0° | 180.0° |
| C26 | C25 | C24 | H22 | 45.2° | 64.8° |
| C26 | C25 | C24 | H23 | 74.1° | 55.2° |
| C26 | C25 | H24 | H25 | 119.8° | 120.0° |
| C25 | C26 | C27 | H26 | 1.7° | 0.1° |
| C16 | C15 | C14 | C13 | 1.4° | 0.0° |
| C16 | C15 | C14 | H8 | 180.0° | 180.0° |
| C16 | C15 | C14 | H7 | 178.5° | 179.9° |
| C15 | C16 | C17 | H10 | 179.1° | 179.7° |
| C13 | C14 | C15 | H7 | 180.0° | 180.0° |
| C13 | C14 | C15 | H8 | 178.6° | 180.0° |
| C26 | C27 | N6 | H26 | 180.0° | 180.0° |
| C26 | C27 | N6 | N5 | 1.6° | 0.3° |
| C27 | C26 | N4 | C28 | 173.5° | 179.8° |
| C27 | C26 | N4 | N5 | 0.9° | 0.2° |
| C27 | C26 | C25 | H24 | 134.9° | 34.9° |
| C27 | C26 | C25 | H25 | 15.0° | 154.9° |
| N6 | C27 | C26 | N4 | 0.5° | 0.3° |
| C27 | N6 | N5 | N4 | 2.1° | 0.2° |
| C26 | N4 | N5 | N6 | 1.8° | 0.0° |
| C26 | N4 | C28 | N5 | 172.2° | 180.0° |
| C26 | N4 | C28 | C29 | 153.9° | 85.9° |
| N4 | C26 | C25 | H24 | 42.5° | 145.3° |
| N4 | C26 | C25 | H25 | 162.4° | 25.3° |
| N4 | C26 | C27 | H26 | 179.5° | 179.7° |
| C26 | N4 | C28 | H27 | 86.0° | 34.0° |
| C26 | N4 | C28 | H28 | 33.8° | 154.1° |
| C15 | C14 | C13 | H6 | 178.7° | 180.0° |
| C14 | C15 | C16 | H9 | 178.8° | 179.9° |
| C34 | C35 | C36 | H34 | 180.0° | 179.9° |
| C35 | C34 | C33 | H33 | 180.0° | 179.9° |
| C34 | C35 | C36 | C32 | 10.9° | 0.1° |
| C35 | C34 | C33 | C31 | 3.0° | 0.1° |
| C35 | C34 | C33 | N8 | 179.4° | 179.9° |
| C34 | C35 | C36 | H35 | 169.1° | 179.9° |
| C36 | C35 | C34 | C33 | 4.3° | 0.1° |
| C35 | C36 | C32 | H35 | 180.0° | 179.8° |
| C35 | C36 | C32 | C31 | 9.3° | 0.1° |
| C35 | C36 | C32 | H32 | 170.7° | 179.9° |
| C36 | C35 | C34 | H33 | 175.7° | 179.9° |
| N6 | N5 | N4 | C28 | 175.7° | 180.0° |
| N5 | N6 | C27 | H26 | 178.4° | 179.7° |
| N4 | C28 | C29 | H27 | 120.1° | 120.0° |
| N4 | C28 | C29 | H28 | 120.1° | 119.9° |
| N4 | C28 | C29 | N7 | 97.9° | 174.8° |
| N4 | C28 | H27 | H28 | 119.8° | 120.0° |
| N4 | C28 | C29 | H29 | 23.1° | 54.8° |
| N4 | C28 | C29 | H30 | 141.1° | 65.2° |
| N5 | N4 | C28 | C29 | 18.3° | 94.1° |
| N5 | N4 | C28 | H27 | 101.8° | 146.0° |
| N5 | N4 | C28 | H28 | 138.4° | 25.9° |
| C34 | C33 | C31 | C32 | 4.3° | 0.1° |
| C34 | C33 | C31 | N8 | 176.3° | 179.9° |
| C34 | C33 | C31 | C30 | 178.1° | 179.9° |
| C34 | C33 | N8 | C37 | 179.9° | 179.9° |
| C33 | C34 | C35 | H34 | 175.7° | 180.0° |
| C36 | C32 | C31 | H32 | 180.0° | 180.0° |
| C36 | C32 | C31 | C33 | 1.8° | 0.1° |
| C36 | C32 | C31 | C30 | 175.7° | 179.9° |
| C32 | C36 | C35 | H34 | 169.1° | 180.0° |
| C28 | C29 | N7 | C30 | 87.3° | 86.0° |
| C28 | C29 | N7 | H29 | 121.0° | 120.0° |
| C28 | C29 | N7 | H30 | 121.0° | 120.1° |
| C29 | C28 | H27 | H28 | 119.8° | 120.0° |
| C28 | C29 | H29 | H30 | 116.9° | 120.0° |
| C28 | C29 | N7 | H31 | 34.7° | 150.0° |
| C32 | C31 | C33 | C30 | 177.6° | 180.0° |
| C32 | C31 | C33 | N8 | 179.3° | 179.8° |
| C32 | C31 | C30 | N7 | 0.7° | 0.1° |
| C32 | C31 | C30 | C39 | 173.5° | 179.7° |
| C31 | C32 | C36 | H35 | 170.7° | 179.9° |
| C31 | C33 | N8 | C37 | 3.8° | 0.2° |
| C33 | C31 | C30 | N7 | 178.2° | 180.0° |
| C33 | C31 | C30 | C39 | 4.0° | 0.3° |
| C33 | C31 | C32 | H32 | 178.2° | 179.9° |
| C31 | C33 | C34 | H33 | 177.0° | 179.9° |
| N8 | C33 | C31 | C30 | 1.8° | 0.2° |
| C33 | N8 | C37 | C38 | 179.9° | 179.6° |
| C33 | N8 | C37 | C39 | 0.2° | 0.4° |
| N8 | C33 | C34 | H33 | 0.6° | 0.2° |
| C31 | C30 | N7 | C39 | 173.4° | 179.8° |
| C31 | C30 | C39 | C37 | 7.7° | 0.7° |
| C31 | C30 | N7 | C29 | 136.3° | 76.9° |
| C31 | C30 | C39 | C40 | 175.8° | 179.1° |
| C31 | C30 | N7 | H31 | 14.2° | 47.1° |
| C30 | C31 | C32 | H32 | 4.3° | 0.1° |
| N8 | C37 | C39 | C30 | 6.1° | 0.8° |
| N8 | C37 | C38 | C39 | 179.9° | 180.0° |
| N8 | C37 | C38 | C42 | 175.0° | 162.1° |
| N8 | C37 | C39 | C40 | 177.2° | 179.1° |
| N8 | C37 | C38 | H36 | 64.5° | 77.6° |
| N8 | C37 | C38 | H37 | 54.5° | 41.8° |
| N7 | C30 | C39 | C37 | 179.0° | 179.5° |
| C30 | N7 | C29 | H31 | 122.0° | 124.0° |
| N7 | C30 | C39 | C40 | 2.5° | 0.6° |
| C30 | N7 | C29 | H29 | 33.7° | 154.1° |
| C30 | N7 | C29 | H30 | 151.7° | 34.1° |
| C30 | C39 | C37 | C38 | 174.0° | 179.2° |
| C30 | C39 | C37 | C40 | 176.6° | 179.9° |
| C39 | C30 | N7 | C29 | 50.3° | 102.8° |
| C30 | C39 | C40 | C41 | 161.3° | 162.6° |
| C39 | C30 | N7 | H31 | 172.4° | 133.2° |
| C30 | C39 | C40 | H38 | 78.7° | 77.1° |
| C30 | C39 | C40 | H39 | 41.3° | 42.4° |
| C37 | C38 | C42 | H36 | 120.5° | 120.2° |
| C37 | C38 | C42 | H37 | 120.4° | 120.3° |
| C38 | C37 | C39 | C40 | 2.6° | 0.9° |
| C37 | C38 | C42 | C41 | 37.9° | 51.2° |
| C37 | C38 | H36 | H37 | 118.6° | 119.4° |
| C37 | C38 | C42 | H42 | 158.2° | 171.3° |
| C37 | C38 | C42 | H43 | 82.4° | 68.1° |
| C39 | C37 | C38 | C42 | 5.1° | 17.9° |
| C37 | C39 | C40 | C41 | 22.3° | 17.5° |
| C39 | C37 | C38 | H36 | 115.3° | 102.4° |
| C39 | C37 | C38 | H37 | 125.6° | 138.2° |
| C37 | C39 | C40 | H38 | 97.8° | 102.7° |
| C37 | C39 | C40 | H39 | 142.3° | 137.7° |
| N7 | C29 | C28 | H27 | 142.0° | 65.3° |
| N7 | C29 | C28 | H28 | 22.2° | 54.8° |
| N7 | C29 | H29 | H30 | 116.8° | 120.0° |
| C38 | C42 | C41 | H42 | 120.3° | 119.9° |
| C38 | C42 | C41 | H43 | 120.3° | 119.6° |
| C38 | C42 | C41 | C40 | 66.5° | 69.6° |
| C42 | C38 | H36 | H37 | 118.6° | 119.5° |
| C38 | C42 | C41 | H40 | 53.9° | 170.3° |
| C38 | C42 | C41 | H41 | 173.2° | 50.0° |
| C38 | C42 | H42 | H43 | 119.0° | 120.5° |
| C39 | C40 | C41 | C42 | 56.2° | 50.6° |
| C39 | C40 | C41 | H38 | 120.1° | 120.3° |
| C39 | C40 | C41 | H39 | 120.1° | 120.3° |
| C39 | C40 | H38 | H39 | 119.9° | 119.5° |
| C39 | C40 | C41 | H40 | 64.1° | 170.7° |
| C39 | C40 | C41 | H41 | 176.6° | 68.8° |
| C42 | C41 | C40 | H40 | 120.3° | 120.2° |
| C42 | C41 | C40 | H41 | 120.4° | 119.3° |
| C41 | C42 | C38 | H36 | 82.6° | 69.1° |
| C41 | C42 | C38 | H37 | 158.3° | 171.5° |
| C42 | C41 | C40 | H38 | 63.8° | 69.7° |
| C42 | C41 | C40 | H39 | 176.3° | 170.9° |
| C42 | C41 | H40 | H41 | 119.0° | 120.1° |
| C41 | C42 | H42 | H43 | 119.0° | 120.0° |
| C41 | C40 | H38 | H39 | 119.8° | 119.4° |
| C40 | C41 | H40 | H41 | 118.9° | 120.5° |
| C40 | C41 | C42 | H42 | 173.2° | 170.4° |
| C40 | C41 | C42 | H43 | 53.9° | 50.0° |
| H3 | C7 | C6 | H4 | 0.2° | 0.0° |
| H6 | C13 | C14 | H7 | 1.3° | 0.0° |
| H7 | C14 | C15 | H8 | 1.4° | 0.0° |
| H8 | C15 | C16 | H9 | 1.2° | 0.0° |
| H9 | C16 | C17 | H10 | 0.9° | 0.1° |
| H12 | C3 | C2 | H13 | 6.0° | 0.1° |
| H16 | C20 | C21 | H18 | 176.8° | 180.0° |
| H16 | C20 | C21 | H19 | 57.5° | 60.0° |
| H17 | C20 | C21 | H18 | 64.3° | 60.1° |
| H17 | C20 | C21 | H19 | 176.4° | 179.9° |
| H18 | C21 | C22 | H20 | 149.4° | 175.2° |
| H18 | C21 | C22 | H21 | 28.2° | 55.2° |
| H19 | C21 | C22 | H20 | 91.4° | 64.8° |
| H19 | C21 | C22 | H21 | 147.5° | 175.2° |
| H20 | C22 | C24 | H22 | 177.5° | 175.2° |
| H20 | C22 | C24 | H23 | 63.2° | 64.8° |
| H21 | C22 | C24 | H22 | 56.4° | 55.1° |
| H21 | C22 | C24 | H23 | 175.7° | 175.2° |
| H22 | C24 | C25 | H24 | 165.3° | 175.2° |
| H22 | C24 | C25 | H25 | 74.8° | 55.1° |
| H23 | C24 | C25 | H24 | 46.0° | 64.8° |
| H23 | C24 | C25 | H25 | 165.9° | 175.2° |
| H27 | C28 | C29 | H29 | 96.9° | 174.8° |
| H27 | C28 | C29 | H30 | 21.1° | 54.8° |
| H28 | C28 | C29 | H29 | 143.2° | 65.1° |
| H28 | C28 | C29 | H30 | 98.8° | 174.9° |
| H29 | C29 | N7 | H31 | 155.8° | 30.1° |
| H30 | C29 | N7 | H31 | 86.2° | 89.9° |
| H32 | C32 | C36 | H35 | 9.3° | 0.1° |
| H33 | C34 | C35 | H34 | 4.3° | 0.0° |
| H34 | C35 | C36 | H35 | 10.9° | 0.2° |
| H36 | C38 | C42 | H42 | 37.7° | 51.0° |
| H36 | C38 | C42 | H43 | 157.1° | 171.6° |
| H37 | C38 | C42 | H42 | 81.4° | 68.4° |
| H37 | C38 | C42 | H43 | 38.0° | 52.2° |
| H38 | C40 | C41 | H40 | 175.8° | 50.5° |
| H38 | C40 | C41 | H41 | 56.5° | 171.0° |
| H39 | C40 | C41 | H40 | 55.9° | 69.0° |
| H39 | C40 | C41 | H41 | 63.4° | 51.5° |
| H40 | C41 | C42 | H42 | 66.4° | 50.4° |
| H40 | C41 | C42 | H43 | 174.2° | 70.0° |
| H41 | C41 | C42 | H42 | 52.9° | 70.0° |
| H41 | C41 | C42 | H43 | 66.5° | 169.6° |
