5O2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.40Å | 1.36Å | |
| C1 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.37Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.48Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C4 | sing | 1.41Å | 1.48Å | Aromatic |
| C6 | N2 | sing | 1.34Å | 1.50Å | Aromatic |
| C4 | C16 | sing | 1.47Å | 1.50Å | Aromatic |
| C20 | N2 | sing | 1.47Å | 1.49Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| N2 | C7 | doub | 1.31Å | 1.45Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C14 | sing | 1.42Å | 1.50Å | Aromatic |
| C17 | C18 | sing | 1.37Å | 1.40Å | Aromatic |
| C7 | C14 | sing | 1.46Å | 1.51Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.50Å | |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C8 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | N3 | sing | 1.40Å | 1.35Å | |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | N4 | sing | 1.34Å | 1.36Å | Aromatic |
| C26 | C27 | doub | 1.35Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| N4 | N5 | doub | 1.29Å | 1.40Å | Aromatic |
| C27 | N6 | sing | 1.35Å | 1.33Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| N6 | N5 | sing | 1.29Å | 1.41Å | Aromatic |
| N6 | C28 | sing | 1.47Å | 1.47Å | |
| C42 | C38 | sing | 1.53Å | 1.53Å | |
| C42 | C41 | sing | 1.55Å | 1.52Å | |
| C38 | C37 | sing | 1.51Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C41 | C40 | sing | 1.53Å | 1.52Å | |
| C40 | C39 | sing | 1.51Å | 1.51Å | |
| C37 | C39 | doub | 1.38Å | 1.48Å | Aromatic |
| C37 | N8 | sing | 1.32Å | 1.35Å | Aromatic |
| C39 | C30 | sing | 1.39Å | 1.50Å | Aromatic |
| N8 | C33 | doub | 1.33Å | 1.35Å | Aromatic |
| C29 | N7 | sing | 1.47Å | 1.44Å | |
| C33 | C34 | sing | 1.41Å | 1.41Å | Aromatic |
| C33 | C31 | sing | 1.42Å | 1.50Å | Aromatic |
| C30 | N7 | sing | 1.39Å | 1.35Å | |
| C30 | C31 | doub | 1.41Å | 1.50Å | Aromatic |
| C34 | C35 | doub | 1.36Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.41Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.41Å | Aromatic |
| C32 | C36 | doub | 1.36Å | 1.41Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | 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) |
| N1 | C1 | C2 | 119.6° | 119.6° |
| N1 | C1 | C5 | 119.9° | 119.7° |
| C1 | N1 | H14 | 109.5° | 120.0° |
| C1 | N1 | H15 | 109.4° | 120.0° |
| C2 | C1 | C5 | 120.4° | 120.7° |
| C1 | C2 | C3 | 120.9° | 120.5° |
| C1 | C2 | H13 | 119.5° | 119.8° |
| C1 | C5 | C6 | 120.8° | 119.8° |
| C1 | C5 | H1 | 119.6° | 120.1° |
| C2 | C3 | C4 | 121.4° | 120.0° |
| C2 | C3 | H12 | 119.3° | 119.9° |
| C3 | C2 | H13 | 119.6° | 119.7° |
| C5 | C6 | C4 | 116.5° | 118.9° |
| C5 | C6 | N2 | 122.5° | 120.1° |
| C6 | C5 | H1 | 119.6° | 120.1° |
| C3 | C4 | C6 | 119.8° | 120.1° |
| C3 | C4 | C16 | 120.7° | 121.1° |
| C4 | C3 | H12 | 119.3° | 120.0° |
| C4 | C6 | N2 | 120.8° | 121.0° |
| C6 | C4 | C16 | 119.5° | 118.7° |
| C6 | N2 | C20 | 118.7° | 118.3° |
| C6 | N2 | C7 | 119.9° | 123.4° |
| C4 | C16 | C17 | 121.7° | 122.4° |
| C4 | C16 | C14 | 119.4° | 117.6° |
| N2 | C20 | C21 | 119.5° | 109.4° |
| C20 | N2 | C7 | 119.0° | 118.3° |
| N2 | C20 | H16 | 106.9° | 109.5° |
| N2 | C20 | H17 | 106.9° | 109.5° |
| C20 | C21 | C22 | 115.5° | 109.4° |
| C21 | C20 | H16 | 106.9° | 109.4° |
| C21 | C20 | H17 | 106.9° | 109.4° |
| C20 | C21 | H18 | 107.9° | 109.5° |
| C20 | C21 | H19 | 107.9° | 109.5° |
| N2 | C7 | C14 | 120.5° | 120.7° |
| N2 | C7 | C8 | 122.9° | 119.6° |
| C21 | C22 | C24 | 118.1° | 109.4° |
| C22 | C21 | H18 | 108.0° | 109.4° |
| C22 | C21 | H19 | 107.9° | 109.5° |
| C21 | C22 | H20 | 107.3° | 109.5° |
| C21 | C22 | H21 | 107.3° | 109.5° |
| C17 | C16 | C14 | 118.8° | 120.0° |
| C16 | C17 | C18 | 119.8° | 119.7° |
| C16 | C17 | H9 | 120.1° | 120.1° |
| C16 | C14 | C7 | 119.4° | 118.6° |
| C16 | C14 | C15 | 118.5° | 119.5° |
| C17 | C18 | C19 | 121.3° | 120.8° |
| C17 | C18 | H2 | 119.3° | 119.6° |
| C18 | C17 | H9 | 120.1° | 120.2° |
| C14 | C7 | C8 | 116.5° | 119.7° |
| C7 | C14 | C15 | 122.1° | 122.0° |
| C7 | C8 | C13 | 120.5° | 120.2° |
| C7 | C8 | C9 | 119.9° | 120.1° |
| C14 | C15 | C19 | 120.3° | 119.4° |
| C14 | C15 | H8 | 119.8° | 120.4° |
| C22 | C24 | C25 | 108.9° | 109.4° |
| C24 | C22 | H20 | 107.3° | 109.4° |
| C24 | C22 | H21 | 107.3° | 109.5° |
| C22 | C24 | H22 | 109.6° | 109.4° |
| C22 | C24 | H23 | 109.6° | 109.5° |
| C18 | C19 | C15 | 121.2° | 120.6° |
| C18 | C19 | N3 | 119.4° | 119.7° |
| C19 | C18 | H2 | 119.3° | 119.6° |
| C24 | C25 | C26 | 113.8° | 109.5° |
| C25 | C24 | H22 | 109.6° | 109.5° |
| C25 | C24 | H23 | 109.6° | 109.5° |
| C24 | C25 | H24 | 108.3° | 109.5° |
| C24 | C25 | H25 | 108.4° | 109.5° |
| C25 | C26 | N4 | 124.6° | 126.8° |
| C25 | C26 | C27 | 126.5° | 126.7° |
| C26 | C25 | H24 | 108.4° | 109.5° |
| C26 | C25 | H25 | 108.4° | 109.5° |
| C13 | C8 | C9 | 119.5° | 119.7° |
| C8 | C13 | C12 | 120.4° | 119.9° |
| C8 | C13 | H7 | 119.8° | 120.0° |
| C8 | C9 | C10 | 119.8° | 119.9° |
| C8 | C9 | H11 | 120.1° | 120.0° |
| C15 | C19 | N3 | 119.4° | 119.7° |
| C19 | C15 | H8 | 119.9° | 120.2° |
| C19 | N3 | H3 | 109.5° | 120.0° |
| C19 | N3 | H4 | 109.5° | 120.0° |
| C13 | C12 | C11 | 120.1° | 120.1° |
| C13 | C12 | H6 | 119.9° | 119.9° |
| C12 | C13 | H7 | 119.8° | 120.1° |
| N4 | C26 | C27 | 108.8° | 106.5° |
| C26 | N4 | N5 | 108.9° | 108.9° |
| C26 | C27 | N6 | 106.7° | 106.2° |
| C26 | C27 | H26 | 126.7° | 127.0° |
| C9 | C10 | C11 | 120.8° | 120.1° |
| C9 | C10 | H10 | 119.6° | 119.9° |
| C10 | C9 | H11 | 120.1° | 120.1° |
| C12 | C11 | C10 | 119.3° | 120.3° |
| C12 | C11 | H5 | 120.3° | 119.9° |
| C11 | C12 | H6 | 119.9° | 119.9° |
| N4 | N5 | N6 | 104.0° | 110.2° |
| C27 | N6 | N5 | 111.6° | 108.3° |
| C27 | N6 | C28 | 131.3° | 125.9° |
| N6 | C27 | H26 | 126.6° | 126.9° |
| C10 | C11 | H5 | 120.4° | 119.9° |
| C11 | C10 | H10 | 119.6° | 120.0° |
| N5 | N6 | C28 | 117.1° | 125.9° |
| N6 | C28 | C29 | 110.2° | 109.5° |
| N6 | C28 | H27 | 109.3° | 109.4° |
| N6 | C28 | H28 | 109.3° | 109.5° |
| C38 | C42 | C41 | 116.1° | 107.9° |
| C42 | C38 | C37 | 114.8° | 110.6° |
| C42 | C38 | H36 | 108.2° | 109.3° |
| C42 | C38 | H37 | 108.1° | 109.2° |
| C38 | C42 | H42 | 107.8° | 109.6° |
| C38 | C42 | H43 | 107.8° | 109.7° |
| C42 | C41 | C40 | 114.5° | 107.8° |
| C42 | C41 | H40 | 108.2° | 109.5° |
| C42 | C41 | H41 | 108.2° | 110.4° |
| C41 | C42 | H42 | 107.8° | 109.5° |
| C41 | C42 | H43 | 107.8° | 110.4° |
| C38 | C37 | C39 | 122.0° | 122.1° |
| C38 | C37 | N8 | 117.0° | 117.0° |
| C37 | C38 | H36 | 108.1° | 109.3° |
| C37 | C38 | H37 | 108.1° | 109.2° |
| C28 | C29 | N7 | 112.6° | 109.5° |
| C29 | C28 | H27 | 109.3° | 109.5° |
| C29 | C28 | H28 | 109.3° | 109.5° |
| C28 | C29 | H29 | 108.7° | 109.5° |
| C28 | C29 | H30 | 108.7° | 109.5° |
| C41 | C40 | C39 | 112.2° | 110.6° |
| C41 | C40 | H38 | 108.8° | 109.3° |
| C41 | C40 | H39 | 108.8° | 109.2° |
| C40 | C41 | H40 | 108.2° | 109.7° |
| C40 | C41 | H41 | 108.2° | 109.7° |
| C40 | C39 | C37 | 120.7° | 122.8° |
| C40 | C39 | C30 | 121.1° | 117.5° |
| C39 | C40 | H38 | 108.8° | 109.3° |
| C39 | C40 | H39 | 108.8° | 109.3° |
| C39 | C37 | N8 | 120.9° | 120.9° |
| C37 | C39 | C30 | 118.1° | 119.7° |
| C37 | N8 | C33 | 124.9° | 122.6° |
| C39 | C30 | N7 | 119.8° | 120.8° |
| C39 | C30 | C31 | 117.5° | 118.4° |
| N8 | C33 | C34 | 119.4° | 121.3° |
| N8 | C33 | C31 | 120.5° | 119.7° |
| C29 | N7 | C30 | 123.0° | 111.0° |
| N7 | C29 | H29 | 108.7° | 109.5° |
| N7 | C29 | H30 | 108.7° | 109.4° |
| C29 | N7 | H31 | 106.0° | 111.0° |
| C34 | C33 | C31 | 120.1° | 119.0° |
| C33 | C34 | C35 | 118.8° | 119.8° |
| C33 | C34 | H33 | 120.6° | 120.1° |
| C33 | C31 | C30 | 117.8° | 118.6° |
| C33 | C31 | C32 | 118.4° | 119.8° |
| N7 | C30 | C31 | 122.5° | 120.8° |
| C30 | N7 | H31 | 106.0° | 111.0° |
| C30 | C31 | C32 | 123.8° | 121.6° |
| C34 | C35 | C36 | 121.7° | 121.1° |
| C35 | C34 | H33 | 120.6° | 120.1° |
| C34 | C35 | H34 | 119.1° | 119.5° |
| C31 | C32 | C36 | 119.5° | 119.6° |
| C31 | C32 | H32 | 120.3° | 120.2° |
| C35 | C36 | C32 | 121.3° | 120.8° |
| C36 | C35 | H34 | 119.2° | 119.5° |
| C35 | C36 | H35 | 119.3° | 119.6° |
| C36 | C32 | H32 | 120.2° | 120.2° |
| C32 | C36 | H35 | 119.4° | 119.6° |
| H3 | N3 | H4 | 109.5° | 120.0° |
| H14 | N1 | H15 | 109.5° | 120.0° |
| H16 | C20 | H17 | 109.5° | 109.5° |
| 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° | 109.4° |
| H27 | C28 | H28 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.4° |
| H36 | C38 | H37 | 109.5° | 109.3° |
| H38 | C40 | H39 | 109.4° | 109.2° |
| 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) |
| N1 | C1 | C2 | C5 | 177.6° | 179.9° |
| N1 | C1 | C2 | C3 | 179.5° | 180.0° |
| N1 | C1 | C5 | C6 | 179.0° | 180.0° |
| N1 | C1 | C5 | H1 | 1.0° | 0.0° |
| N1 | C1 | C2 | H13 | 0.5° | 0.1° |
| C1 | N1 | H14 | H15 | 120.0° | 180.0° |
| C1 | C2 | C3 | H13 | 180.0° | 179.9° |
| C2 | C1 | C5 | C6 | 3.4° | 0.1° |
| C1 | C2 | C3 | C4 | 1.3° | 0.1° |
| C2 | C1 | C5 | H1 | 176.6° | 179.9° |
| C1 | C2 | C3 | H12 | 178.7° | 179.9° |
| C2 | C1 | N1 | H14 | 180.0° | 0.0° |
| C2 | C1 | N1 | H15 | 60.0° | 180.0° |
| C5 | C1 | C2 | C3 | 2.9° | 0.1° |
| C1 | C5 | C6 | H1 | 180.0° | 180.0° |
| C1 | C5 | C6 | C4 | 2.3° | 0.0° |
| C1 | C5 | C6 | N2 | 177.4° | 180.0° |
| C5 | C1 | C2 | H13 | 177.1° | 180.0° |
| C5 | C1 | N1 | H14 | 2.4° | 180.0° |
| C5 | C1 | N1 | H15 | 122.4° | 0.1° |
| C2 | C3 | C4 | H12 | 180.0° | 180.0° |
| C2 | C3 | C4 | C6 | 0.2° | 0.0° |
| C2 | C3 | C4 | C16 | 178.2° | 180.0° |
| C5 | C6 | C4 | C3 | 0.7° | 0.0° |
| C5 | C6 | C4 | N2 | 175.3° | 180.0° |
| C5 | C6 | C4 | C16 | 178.7° | 180.0° |
| C5 | C6 | N2 | C20 | 15.5° | 0.3° |
| C5 | C6 | N2 | C7 | 177.6° | 180.0° |
| C3 | C4 | C6 | C16 | 178.0° | 180.0° |
| C3 | C4 | C6 | N2 | 175.9° | 180.0° |
| C3 | C4 | C16 | C17 | 1.6° | 0.1° |
| C3 | C4 | C16 | C14 | 177.9° | 180.0° |
| C4 | C3 | C2 | H13 | 178.7° | 180.0° |
| C4 | C6 | N2 | C20 | 169.5° | 179.7° |
| C4 | C6 | N2 | C7 | 7.4° | 0.0° |
| C6 | C4 | C16 | C17 | 179.6° | 180.0° |
| C6 | C4 | C16 | C14 | 4.1° | 0.0° |
| C4 | C6 | C5 | H1 | 177.7° | 180.0° |
| C6 | C4 | C3 | H12 | 179.8° | 180.0° |
| N2 | C6 | C4 | C16 | 6.0° | 0.0° |
| C6 | N2 | C20 | C7 | 162.2° | 179.7° |
| C6 | N2 | C20 | C21 | 80.3° | 86.1° |
| C6 | N2 | C7 | C14 | 6.8° | 0.0° |
| C6 | N2 | C7 | C8 | 177.2° | 180.0° |
| N2 | C6 | C5 | H1 | 2.5° | 0.0° |
| C6 | N2 | C20 | H16 | 158.3° | 154.0° |
| C6 | N2 | C20 | H17 | 41.1° | 33.9° |
| C4 | C16 | C17 | C14 | 176.3° | 180.0° |
| C4 | C16 | C17 | C18 | 176.2° | 180.0° |
| C4 | C16 | C14 | C7 | 3.5° | 0.0° |
| C4 | C16 | C14 | C15 | 176.4° | 179.9° |
| C4 | C16 | C17 | H9 | 3.8° | 0.0° |
| C16 | C4 | C3 | H12 | 1.8° | 0.0° |
| N2 | C20 | C21 | H16 | 121.4° | 119.9° |
| N2 | C20 | C21 | H17 | 121.4° | 120.0° |
| N2 | C20 | C21 | C22 | 115.8° | 175.2° |
| C20 | N2 | C7 | C14 | 168.8° | 179.7° |
| C20 | N2 | C7 | C8 | 15.2° | 0.3° |
| N2 | C20 | H16 | H17 | 115.5° | 120.1° |
| N2 | C20 | C21 | H18 | 123.3° | 55.2° |
| N2 | C20 | C21 | H19 | 5.1° | 64.8° |
| C21 | C20 | N2 | C7 | 117.5° | 93.6° |
| C20 | C21 | C22 | H18 | 120.9° | 120.0° |
| C20 | C21 | C22 | H19 | 120.9° | 120.0° |
| C20 | C21 | C22 | C24 | 30.3° | 180.0° |
| C21 | C20 | H16 | H17 | 115.4° | 120.0° |
| C20 | C21 | H18 | H19 | 117.2° | 120.0° |
| C20 | C21 | C22 | H20 | 151.5° | 60.1° |
| C20 | C21 | C22 | H21 | 90.9° | 60.0° |
| N2 | C7 | C14 | C16 | 4.9° | 0.0° |
| N2 | C7 | C14 | C8 | 176.2° | 180.0° |
| N2 | C7 | C14 | C15 | 175.0° | 179.9° |
| N2 | C7 | C8 | C13 | 114.2° | 120.3° |
| N2 | C7 | C8 | C9 | 70.3° | 60.0° |
| C7 | N2 | C20 | H16 | 3.9° | 26.3° |
| C7 | N2 | C20 | H17 | 121.1° | 146.4° |
| C21 | C22 | C24 | H20 | 121.2° | 120.0° |
| C21 | C22 | C24 | H21 | 121.2° | 120.0° |
| C21 | C22 | C24 | C25 | 134.1° | 180.0° |
| C22 | C21 | C20 | H16 | 5.6° | 64.9° |
| C22 | C21 | C20 | H17 | 122.8° | 55.2° |
| C22 | C21 | H18 | H19 | 117.2° | 120.0° |
| C21 | C22 | H20 | H21 | 116.1° | 120.0° |
| C21 | C22 | C24 | H22 | 106.0° | 60.0° |
| C21 | C22 | C24 | H23 | 14.2° | 60.0° |
| C16 | C17 | C18 | H9 | 180.0° | 180.0° |
| C17 | C16 | C14 | C7 | 179.9° | 180.0° |
| C17 | C16 | C14 | C15 | 0.1° | 0.1° |
| C16 | C17 | C18 | C19 | 1.8° | 0.0° |
| C16 | C17 | C18 | H2 | 178.2° | 179.9° |
| C14 | C16 | C17 | C18 | 0.1° | 0.1° |
| C16 | C14 | C7 | C15 | 180.0° | 179.9° |
| C16 | C14 | C7 | C8 | 178.9° | 180.0° |
| C16 | C14 | C15 | C19 | 1.4° | 0.0° |
| C16 | C14 | C15 | H8 | 178.6° | 180.0° |
| C14 | C16 | C17 | H9 | 179.9° | 180.0° |
| C17 | C18 | C19 | H2 | 180.0° | 180.0° |
| C17 | C18 | C19 | C15 | 3.4° | 0.1° |
| C17 | C18 | C19 | N3 | 177.7° | 180.0° |
| C14 | C7 | C8 | C13 | 69.7° | 59.7° |
| C14 | C7 | C8 | C9 | 105.8° | 120.0° |
| C7 | C14 | C15 | C19 | 178.6° | 179.9° |
| C7 | C14 | C15 | H8 | 1.4° | 0.1° |
| C8 | C7 | C14 | C15 | 1.2° | 0.1° |
| C7 | C8 | C13 | C9 | 175.5° | 179.6° |
| C7 | C8 | C13 | C12 | 177.2° | 179.8° |
| C7 | C8 | C9 | C10 | 179.9° | 179.7° |
| C7 | C8 | C13 | H7 | 2.8° | 0.4° |
| C7 | C8 | C9 | H11 | 0.1° | 0.3° |
| C14 | C15 | C19 | C18 | 3.1° | 0.1° |
| C14 | C15 | C19 | H8 | 180.0° | 180.0° |
| C14 | C15 | C19 | N3 | 177.9° | 179.9° |
| C22 | C24 | C25 | H22 | 119.9° | 119.9° |
| C22 | C24 | C25 | H23 | 119.9° | 120.0° |
| C22 | C24 | C25 | C26 | 116.2° | 180.0° |
| C24 | C22 | C21 | H18 | 90.6° | 60.0° |
| C24 | C22 | C21 | H19 | 151.2° | 60.0° |
| C24 | C22 | H20 | H21 | 116.1° | 120.0° |
| C22 | C24 | H22 | H23 | 120.2° | 120.0° |
| C22 | C24 | C25 | H24 | 123.1° | 60.0° |
| C22 | C24 | C25 | H25 | 4.4° | 60.0° |
| C18 | C19 | C15 | N3 | 178.9° | 179.9° |
| C18 | C19 | N3 | H3 | 180.0° | 0.0° |
| C18 | C19 | N3 | H4 | 60.0° | 180.0° |
| C18 | C19 | C15 | H8 | 176.9° | 179.9° |
| C19 | C18 | C17 | H9 | 178.2° | 179.9° |
| C24 | C25 | C26 | H24 | 120.6° | 120.0° |
| C24 | C25 | C26 | H25 | 120.6° | 120.1° |
| C24 | C25 | C26 | N4 | 132.2° | 55.1° |
| C24 | C25 | C26 | C27 | 52.0° | 124.7° |
| C25 | C24 | C22 | H20 | 12.9° | 60.1° |
| C25 | C24 | C22 | H21 | 104.6° | 60.0° |
| C25 | C24 | H22 | H23 | 120.3° | 120.1° |
| C24 | C25 | H24 | H25 | 118.0° | 120.0° |
| C25 | C26 | N4 | C27 | 176.5° | 179.8° |
| C25 | C26 | N4 | N5 | 178.3° | 180.0° |
| C25 | C26 | C27 | N6 | 177.7° | 179.8° |
| C26 | C25 | C24 | H22 | 3.7° | 60.1° |
| C26 | C25 | C24 | H23 | 123.9° | 60.0° |
| C26 | C25 | H24 | H25 | 118.0° | 120.0° |
| C25 | C26 | C27 | H26 | 2.3° | 0.1° |
| C8 | C13 | C12 | H7 | 180.0° | 179.9° |
| C13 | C8 | C9 | C10 | 4.3° | 0.1° |
| C8 | C13 | C12 | C11 | 1.7° | 0.1° |
| C8 | C13 | C12 | H6 | 178.4° | 180.0° |
| C13 | C8 | C9 | H11 | 175.7° | 180.0° |
| C9 | C8 | C13 | C12 | 1.7° | 0.1° |
| C8 | C9 | C10 | H11 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 3.7° | 0.0° |
| C9 | C8 | C13 | H7 | 178.3° | 180.0° |
| C8 | C9 | C10 | H10 | 176.3° | 179.9° |
| C15 | C19 | C18 | H2 | 176.6° | 179.9° |
| C15 | C19 | N3 | H3 | 1.0° | 179.9° |
| C15 | C19 | N3 | H4 | 119.0° | 0.1° |
| N3 | C19 | C18 | H2 | 2.3° | 0.0° |
| C19 | N3 | H3 | H4 | 120.0° | 180.0° |
| N3 | C19 | C15 | H8 | 2.1° | 0.1° |
| C13 | C12 | C11 | H6 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 2.4° | 0.0° |
| C13 | C12 | C11 | H5 | 177.6° | 180.0° |
| N4 | C26 | C27 | N6 | 1.2° | 0.3° |
| C26 | N4 | N5 | N6 | 1.7° | 0.0° |
| N4 | C26 | C25 | H24 | 107.2° | 175.0° |
| N4 | C26 | C25 | H25 | 11.5° | 65.0° |
| N4 | C26 | C27 | H26 | 178.8° | 179.7° |
| C27 | C26 | N4 | N5 | 1.8° | 0.2° |
| C26 | C27 | N6 | H26 | 180.0° | 179.9° |
| C26 | C27 | N6 | N5 | 0.2° | 0.4° |
| C26 | C27 | N6 | C28 | 178.9° | 179.8° |
| C27 | C26 | C25 | H24 | 68.7° | 4.7° |
| C27 | C26 | C25 | H25 | 172.6° | 115.2° |
| C9 | C10 | C11 | C12 | 0.3° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | H5 | 179.7° | 180.0° |
| C12 | C11 | C10 | H5 | 180.0° | 180.0° |
| C11 | C12 | C13 | H7 | 178.3° | 180.0° |
| C12 | C11 | C10 | H10 | 179.7° | 180.0° |
| N4 | N5 | N6 | C27 | 0.9° | 0.2° |
| N4 | N5 | N6 | C28 | 179.9° | 179.9° |
| C27 | N6 | N5 | C28 | 179.2° | 179.8° |
| C27 | N6 | C28 | C29 | 163.9° | 125.3° |
| C27 | N6 | C28 | H27 | 43.8° | 114.8° |
| C27 | N6 | C28 | H28 | 76.0° | 5.3° |
| C10 | C11 | C12 | H6 | 177.7° | 180.0° |
| C11 | C10 | C9 | H11 | 176.3° | 180.0° |
| N5 | N6 | C28 | C29 | 15.1° | 54.9° |
| N5 | N6 | C27 | H26 | 179.8° | 179.7° |
| N5 | N6 | C28 | H27 | 135.2° | 65.0° |
| N5 | N6 | C28 | H28 | 105.0° | 174.9° |
| N6 | C28 | C29 | H27 | 120.1° | 120.0° |
| N6 | C28 | C29 | H28 | 120.1° | 120.0° |
| N6 | C28 | C29 | N7 | 132.9° | 180.0° |
| C28 | N6 | C27 | H26 | 1.1° | 0.1° |
| N6 | C28 | H27 | H28 | 119.6° | 120.0° |
| N6 | C28 | C29 | H29 | 12.4° | 60.0° |
| N6 | C28 | C29 | H30 | 106.7° | 60.0° |
| C38 | C42 | C41 | H42 | 121.0° | 119.2° |
| C38 | C42 | C41 | H43 | 121.0° | 119.8° |
| C42 | C38 | C37 | H36 | 120.8° | 120.3° |
| C42 | C38 | C37 | H37 | 120.8° | 120.2° |
| C38 | C42 | C41 | C40 | 50.8° | 70.9° |
| C42 | C38 | C37 | C39 | 2.5° | 18.3° |
| C42 | C38 | C37 | N8 | 175.4° | 161.6° |
| C42 | C38 | H36 | H37 | 117.6° | 119.4° |
| C38 | C42 | C41 | H40 | 171.6° | 169.8° |
| C38 | C42 | C41 | H41 | 69.9° | 49.0° |
| C38 | C42 | H42 | H43 | 117.0° | 120.5° |
| C41 | C42 | C38 | C37 | 26.9° | 52.2° |
| C42 | C41 | C40 | H40 | 120.7° | 119.1° |
| C42 | C41 | C40 | H41 | 120.7° | 120.3° |
| C42 | C41 | C40 | C39 | 47.2° | 51.6° |
| C41 | C42 | C38 | H36 | 93.9° | 68.1° |
| C41 | C42 | C38 | H37 | 147.7° | 172.3° |
| C42 | C41 | C40 | H38 | 73.2° | 68.7° |
| C42 | C41 | C40 | H39 | 167.7° | 171.9° |
| C42 | C41 | H40 | H41 | 117.7° | 121.3° |
| C41 | C42 | H42 | H43 | 117.0° | 121.3° |
| C38 | C37 | C39 | C40 | 1.1° | 0.7° |
| C38 | C37 | C39 | N8 | 177.9° | 179.9° |
| C38 | C37 | C39 | C30 | 177.7° | 179.1° |
| C38 | C37 | N8 | C33 | 178.4° | 179.5° |
| C37 | C38 | H36 | H37 | 117.6° | 119.5° |
| C37 | C38 | C42 | H42 | 94.1° | 171.3° |
| C37 | C38 | C42 | H43 | 147.9° | 68.1° |
| C28 | C29 | N7 | H29 | 120.5° | 120.1° |
| C28 | C29 | N7 | H30 | 120.5° | 120.0° |
| C28 | C29 | N7 | C30 | 86.1° | 174.7° |
| C29 | C28 | H27 | H28 | 119.7° | 120.0° |
| C28 | C29 | H29 | H30 | 118.6° | 120.0° |
| C28 | C29 | N7 | H31 | 152.0° | 61.3° |
| C41 | C40 | C39 | H38 | 120.4° | 120.3° |
| C41 | C40 | C39 | H39 | 120.4° | 120.2° |
| C41 | C40 | C39 | C37 | 23.1° | 18.0° |
| C41 | C40 | C39 | C30 | 155.7° | 161.8° |
| C41 | C40 | H38 | H39 | 118.7° | 119.4° |
| C40 | C41 | H40 | H41 | 117.7° | 120.6° |
| C40 | C41 | C42 | H42 | 70.1° | 169.9° |
| C40 | C41 | C42 | H43 | 171.8° | 48.9° |
| C40 | C39 | C37 | C30 | 178.8° | 179.8° |
| C40 | C39 | C37 | N8 | 176.8° | 179.3° |
| C40 | C39 | C30 | N7 | 5.5° | 0.2° |
| C40 | C39 | C30 | C31 | 179.7° | 179.5° |
| C39 | C40 | H38 | H39 | 118.7° | 119.5° |
| C39 | C40 | C41 | H40 | 168.0° | 170.7° |
| C39 | C40 | C41 | H41 | 73.5° | 68.7° |
| C39 | C37 | N8 | C33 | 3.7° | 0.6° |
| C37 | C39 | C30 | N7 | 173.3° | 179.5° |
| C37 | C39 | C30 | C31 | 1.4° | 0.7° |
| C39 | C37 | C38 | H36 | 118.3° | 101.9° |
| C39 | C37 | C38 | H37 | 123.3° | 138.5° |
| C37 | C39 | C40 | H38 | 97.3° | 102.4° |
| C37 | C39 | C40 | H39 | 143.5° | 138.2° |
| N8 | C37 | C39 | C30 | 4.4° | 1.0° |
| C37 | N8 | C33 | C34 | 178.8° | 179.9° |
| C37 | N8 | C33 | C31 | 0.2° | 0.0° |
| N8 | C37 | C38 | H36 | 63.8° | 78.1° |
| N8 | C37 | C38 | H37 | 54.6° | 41.4° |
| C39 | C30 | N7 | C29 | 104.6° | 96.5° |
| C39 | C30 | C31 | C33 | 2.1° | 0.2° |
| C39 | C30 | N7 | C31 | 174.5° | 179.7° |
| C39 | C30 | C31 | C32 | 177.2° | 179.8° |
| C39 | C30 | N7 | H31 | 133.5° | 139.5° |
| C30 | C39 | C40 | H38 | 83.9° | 77.9° |
| C30 | C39 | C40 | H39 | 35.3° | 41.6° |
| N8 | C33 | C34 | C31 | 178.6° | 179.8° |
| N8 | C33 | C31 | C30 | 3.1° | 0.2° |
| N8 | C33 | C34 | C35 | 178.0° | 179.8° |
| N8 | C33 | C31 | C32 | 176.2° | 179.8° |
| N8 | C33 | C34 | H33 | 2.0° | 0.3° |
| C29 | N7 | C30 | H31 | 121.9° | 123.9° |
| C29 | N7 | C30 | C31 | 80.9° | 83.8° |
| N7 | C29 | C28 | H27 | 107.0° | 60.0° |
| N7 | C29 | C28 | H28 | 12.8° | 60.0° |
| N7 | C29 | H29 | H30 | 118.6° | 119.9° |
| C34 | C33 | C31 | C30 | 178.3° | 179.9° |
| C33 | C34 | C35 | H33 | 180.0° | 179.9° |
| C34 | C33 | C31 | C32 | 2.4° | 0.0° |
| C33 | C34 | C35 | C36 | 3.5° | 0.0° |
| C33 | C34 | C35 | H34 | 176.5° | 180.0° |
| C33 | C31 | C30 | N7 | 176.7° | 179.9° |
| C33 | C31 | C30 | C32 | 179.3° | 179.9° |
| C31 | C33 | C34 | C35 | 0.6° | 0.0° |
| C33 | C31 | C32 | C36 | 0.1° | 0.0° |
| C33 | C31 | C32 | H32 | 179.9° | 180.0° |
| C31 | C33 | C34 | H33 | 179.4° | 179.9° |
| N7 | C30 | C31 | C32 | 2.6° | 0.0° |
| C30 | N7 | C29 | H29 | 34.4° | 54.7° |
| C30 | N7 | C29 | H30 | 153.4° | 65.3° |
| C30 | C31 | C32 | C36 | 179.4° | 179.9° |
| C31 | C30 | N7 | H31 | 41.0° | 40.2° |
| C30 | C31 | C32 | H32 | 0.6° | 0.1° |
| C34 | C35 | C36 | H34 | 180.0° | 179.9° |
| C34 | C35 | C36 | C32 | 5.9° | 0.0° |
| C34 | C35 | C36 | H35 | 174.1° | 180.0° |
| C31 | C32 | C36 | C35 | 3.9° | 0.0° |
| C31 | C32 | C36 | H32 | 180.0° | 180.0° |
| C31 | C32 | C36 | H35 | 176.1° | 180.0° |
| C35 | C36 | C32 | H35 | 180.0° | 180.0° |
| C35 | C36 | C32 | H32 | 176.1° | 180.0° |
| C36 | C35 | C34 | H33 | 176.6° | 179.9° |
| C32 | C36 | C35 | H34 | 174.1° | 180.0° |
| H2 | C18 | C17 | H9 | 1.8° | 0.1° |
| H5 | C11 | C12 | H6 | 2.3° | 0.0° |
| H5 | C11 | C10 | H10 | 0.3° | 0.0° |
| H6 | C12 | C13 | H7 | 1.6° | 0.1° |
| H10 | C10 | C9 | H11 | 3.7° | 0.0° |
| H12 | C3 | C2 | H13 | 1.3° | 0.1° |
| H16 | C20 | C21 | H18 | 115.3° | 175.2° |
| H16 | C20 | C21 | H19 | 126.5° | 55.2° |
| H17 | C20 | C21 | H18 | 1.9° | 64.8° |
| H17 | C20 | C21 | H19 | 116.3° | 175.2° |
| H18 | C21 | C22 | H20 | 30.7° | 180.0° |
| H18 | C21 | C22 | H21 | 148.2° | 59.9° |
| H19 | C21 | C22 | H20 | 87.6° | 60.0° |
| H19 | C21 | C22 | H21 | 30.0° | 180.0° |
| H20 | C22 | C24 | H22 | 132.8° | 180.0° |
| H20 | C22 | C24 | H23 | 107.0° | 60.0° |
| H21 | C22 | C24 | H22 | 15.2° | 59.9° |
| H21 | C22 | C24 | H23 | 135.4° | 180.0° |
| H22 | C24 | C25 | H24 | 117.0° | 179.9° |
| H22 | C24 | C25 | H25 | 124.3° | 60.0° |
| H23 | C24 | C25 | H24 | 3.2° | 60.0° |
| H23 | C24 | C25 | H25 | 115.5° | 180.0° |
| H27 | C28 | C29 | H29 | 132.5° | 180.0° |
| H27 | C28 | C29 | H30 | 13.5° | 59.9° |
| H28 | C28 | C29 | H29 | 107.7° | 60.0° |
| H28 | C28 | C29 | H30 | 133.2° | NaN° |
| H29 | C29 | N7 | H31 | 87.5° | 178.6° |
| H30 | C29 | N7 | H31 | 31.6° | 58.7° |
| H32 | C32 | C36 | H35 | 3.9° | 0.0° |
| H33 | C34 | C35 | H34 | 3.4° | 0.1° |
| H34 | C35 | C36 | H35 | 5.9° | 0.1° |
| H36 | C38 | C42 | H42 | 145.2° | 51.0° |
| H36 | C38 | C42 | H43 | 27.1° | 171.6° |
| H37 | C38 | C42 | H42 | 26.7° | 68.5° |
| H37 | C38 | C42 | H43 | 91.3° | 52.1° |
| H38 | C40 | C41 | H40 | 47.5° | 50.4° |
| H38 | C40 | C41 | H41 | 166.1° | 171.0° |
| H39 | C40 | C41 | H40 | 71.6° | 69.0° |
| H39 | C40 | C41 | H41 | 46.9° | 51.6° |
| H40 | C41 | C42 | H42 | 50.6° | 50.6° |
| H40 | C41 | C42 | H43 | 67.5° | 70.4° |
| H41 | C41 | C42 | H42 | 169.1° | 70.3° |
| H41 | C41 | C42 | H43 | 51.0° | 168.8° |
