2A4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | doub | 1.38Å | 1.35Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.36Å | Aromatic |
| C27 | N3 | sing | 1.47Å | 1.43Å | |
| C27 | C25 | sing | 1.51Å | 1.49Å | |
| C23 | C22 | sing | 1.38Å | 1.36Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.36Å | Aromatic |
| C26 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C21 | C18 | sing | 1.51Å | 1.47Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C16 | N2 | sing | 1.47Å | 1.44Å | |
| O6 | C1 | sing | 1.43Å | 1.41Å | |
| C12 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.37Å | Aromatic |
| N2 | C20 | sing | 1.47Å | 1.43Å | |
| N2 | C15 | sing | 1.35Å | 1.32Å | |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| O7 | C29 | doub | 1.21Å | 1.19Å | |
| C13 | C15 | sing | 1.48Å | 1.47Å | |
| C13 | C14 | doub | 1.39Å | 1.36Å | Aromatic |
| C15 | O5 | doub | 1.22Å | 1.20Å | |
| C10 | C9 | doub | 1.39Å | 1.37Å | Aromatic |
| C1 | C29 | sing | 1.51Å | 1.48Å | |
| C1 | O3 | sing | 1.44Å | 1.41Å | |
| C1 | C2 | sing | 1.54Å | 1.53Å | |
| C29 | N4 | sing | 1.35Å | 1.31Å | |
| C28 | C2 | sing | 1.53Å | 1.52Å | |
| C14 | C9 | sing | 1.39Å | 1.36Å | Aromatic |
| C9 | N1 | sing | 1.40Å | 1.33Å | |
| O3 | C4 | sing | 1.44Å | 1.40Å | |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | O1 | sing | 1.44Å | 1.41Å | |
| O4 | C8 | doub | 1.21Å | 1.22Å | |
| N4 | C30 | sing | 1.40Å | 1.34Å | |
| N1 | C8 | sing | 1.35Å | 1.32Å | |
| C8 | C4 | sing | 1.51Å | 1.49Å | |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C35 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | O1 | sing | 1.44Å | 1.41Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | doub | 1.40Å | 1.38Å | Aromatic |
| C7 | C5 | sing | 1.53Å | 1.51Å | |
| C35 | C34 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | O2 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C34 | C36 | sing | 1.48Å | 1.48Å | |
| O8 | C36 | doub | 1.22Å | 1.18Å | |
| C36 | N5 | sing | 1.35Å | 1.31Å | |
| N5 | C41 | sing | 1.47Å | 1.44Å | |
| N5 | C37 | sing | 1.47Å | 1.44Å | |
| C41 | C40 | sing | 1.53Å | 1.51Å | |
| C37 | C38 | sing | 1.54Å | 1.52Å | |
| C40 | C39 | sing | 1.53Å | 1.51Å | |
| C38 | C39 | sing | 1.53Å | 1.51Å | |
| C39 | C42 | sing | 1.51Å | 1.47Å | |
| C42 | C47 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.37Å | Aromatic |
| C47 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| N6 | C48 | sing | 1.47Å | 1.42Å | |
| C43 | C44 | doub | 1.38Å | 1.36Å | Aromatic |
| C46 | C48 | sing | 1.51Å | 1.49Å | |
| C46 | C45 | doub | 1.38Å | 1.37Å | Aromatic |
| C44 | C45 | sing | 1.38Å | 1.36Å | Aromatic |
| C41 | H1 | sing | 1.09Å | 1.10Å | |
| C41 | H2 | sing | 1.09Å | 1.10Å | |
| C40 | H3 | sing | 1.09Å | 1.10Å | |
| C40 | H4 | sing | 1.09Å | 1.10Å | |
| C39 | H5 | sing | 1.09Å | 1.10Å | |
| C47 | H6 | sing | 1.08Å | 1.08Å | |
| C48 | H7 | sing | 1.09Å | 1.10Å | |
| C48 | H8 | sing | 1.09Å | 1.10Å | |
| N6 | H9 | sing | 1.01Å | 1.00Å | |
| N6 | H10 | sing | 1.01Å | 1.00Å | |
| C45 | H12 | sing | 1.08Å | 1.08Å | |
| C44 | H13 | sing | 1.08Å | 1.08Å | |
| C43 | H14 | sing | 1.08Å | 1.08Å | |
| C38 | H15 | sing | 1.09Å | 1.10Å | |
| C38 | H16 | sing | 1.09Å | 1.10Å | |
| C37 | H17 | sing | 1.09Å | 1.10Å | |
| C37 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.08Å | 1.08Å | |
| C32 | H20 | sing | 1.08Å | 1.08Å | |
| C31 | H21 | sing | 1.08Å | 1.08Å | |
| C35 | H22 | sing | 1.08Å | 1.08Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| O6 | H24 | sing | 0.97Å | 0.95Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H30 | sing | 1.09Å | 1.10Å | |
| C7 | H31 | sing | 1.09Å | 1.10Å | |
| C7 | H32 | sing | 1.09Å | 1.10Å | |
| C7 | H33 | sing | 1.09Å | 1.10Å | |
| O2 | H34 | sing | 0.97Å | 0.95Å | |
| C6 | H35 | sing | 1.09Å | 1.10Å | |
| C6 | H36 | sing | 1.09Å | 1.10Å | |
| C6 | H37 | sing | 1.09Å | 1.10Å | |
| N1 | H38 | sing | 0.97Å | 1.00Å | |
| C14 | H39 | sing | 1.08Å | 1.08Å | |
| C12 | H40 | sing | 1.08Å | 1.08Å | |
| C11 | H41 | sing | 1.08Å | 1.08Å | |
| C10 | H42 | sing | 1.08Å | 1.08Å | |
| C20 | H43 | sing | 1.09Å | 1.10Å | |
| C20 | H44 | sing | 1.09Å | 1.10Å | |
| C19 | H45 | sing | 1.09Å | 1.10Å | |
| C19 | H46 | sing | 1.09Å | 1.10Å | |
| C18 | H47 | sing | 1.09Å | 1.10Å | |
| C17 | H48 | sing | 1.09Å | 1.10Å | |
| C17 | H49 | sing | 1.09Å | 1.10Å | |
| C16 | H50 | sing | 1.09Å | 1.10Å | |
| C16 | H51 | sing | 1.09Å | 1.10Å | |
| C26 | H52 | sing | 1.08Å | 1.08Å | |
| C27 | H53 | sing | 1.09Å | 1.10Å | |
| C27 | H54 | sing | 1.09Å | 1.10Å | |
| N3 | H55 | sing | 1.01Å | 1.00Å | |
| N3 | H56 | sing | 1.01Å | 1.00Å | |
| C24 | H58 | sing | 1.08Å | 1.08Å | |
| C23 | H59 | sing | 1.08Å | 1.08Å | |
| C22 | H60 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C24 | C25 | 119.1° | 120.0° |
| C24 | C23 | C22 | 121.2° | 120.0° |
| C23 | C24 | H58 | 120.4° | 120.0° |
| C24 | C23 | H59 | 119.4° | 119.9° |
| C24 | C25 | C27 | 117.4° | 120.0° |
| C24 | C25 | C26 | 120.5° | 120.0° |
| C25 | C24 | H58 | 120.5° | 120.0° |
| N3 | C27 | C25 | 107.9° | 109.5° |
| N3 | C27 | H53 | 109.9° | 109.5° |
| N3 | C27 | H54 | 109.9° | 109.5° |
| C27 | N3 | H55 | 109.5° | 111.0° |
| C27 | N3 | H56 | 109.5° | 111.0° |
| C27 | C25 | C26 | 122.1° | 120.0° |
| C25 | C27 | H53 | 109.9° | 109.5° |
| C25 | C27 | H54 | 109.9° | 109.5° |
| C23 | C22 | C21 | 119.9° | 120.0° |
| C22 | C23 | H59 | 119.4° | 120.0° |
| C23 | C22 | H60 | 120.1° | 120.0° |
| C25 | C26 | C21 | 119.9° | 120.0° |
| C25 | C26 | H52 | 120.1° | 120.0° |
| C22 | C21 | C26 | 119.4° | 119.9° |
| C22 | C21 | C18 | 117.3° | 120.0° |
| C21 | C22 | H60 | 120.1° | 120.0° |
| C26 | C21 | C18 | 123.3° | 120.0° |
| C21 | C26 | H52 | 120.0° | 119.9° |
| C21 | C18 | C17 | 109.1° | 109.4° |
| C21 | C18 | C19 | 112.9° | 109.6° |
| C21 | C18 | H47 | 108.8° | 109.5° |
| C17 | C18 | C19 | 109.4° | 109.5° |
| C18 | C17 | C16 | 107.9° | 109.4° |
| C17 | C18 | H47 | 108.3° | 109.4° |
| C18 | C17 | H48 | 109.9° | 109.5° |
| C18 | C17 | H49 | 109.9° | 109.5° |
| C18 | C19 | C20 | 109.7° | 109.3° |
| C18 | C19 | H45 | 109.4° | 109.5° |
| C18 | C19 | H46 | 109.4° | 109.6° |
| C19 | C18 | H47 | 108.3° | 109.4° |
| C17 | C16 | N2 | 103.9° | 109.0° |
| C16 | C17 | H48 | 109.9° | 109.6° |
| C16 | C17 | H49 | 109.9° | 109.3° |
| C17 | C16 | H50 | 110.9° | 109.7° |
| C17 | C16 | H51 | 110.8° | 109.6° |
| C19 | C20 | N2 | 104.3° | 108.8° |
| C19 | C20 | H43 | 110.8° | 109.6° |
| C19 | C20 | H44 | 110.8° | 109.7° |
| C20 | C19 | H45 | 109.4° | 109.5° |
| C20 | C19 | H46 | 109.4° | 109.5° |
| C16 | N2 | C20 | 114.3° | 118.8° |
| C16 | N2 | C15 | 123.4° | 120.6° |
| N2 | C16 | H50 | 110.8° | 109.6° |
| N2 | C16 | H51 | 110.8° | 109.3° |
| O6 | C1 | C29 | 110.2° | 110.3° |
| O6 | C1 | O3 | 108.4° | 110.4° |
| O6 | C1 | C2 | 112.8° | 110.4° |
| C1 | O6 | H24 | 109.5° | 114.0° |
| C11 | C12 | C13 | 118.5° | 120.0° |
| C12 | C11 | C10 | 121.0° | 120.2° |
| C11 | C12 | H40 | 120.8° | 120.0° |
| C12 | C11 | H41 | 119.5° | 119.9° |
| C12 | C13 | C15 | 124.6° | 120.1° |
| C12 | C13 | C14 | 120.9° | 119.7° |
| C13 | C12 | H40 | 120.8° | 120.0° |
| C20 | N2 | C15 | 122.3° | 120.6° |
| N2 | C20 | H43 | 110.7° | 109.6° |
| N2 | C20 | H44 | 110.8° | 109.6° |
| N2 | C15 | C13 | 119.8° | 120.0° |
| N2 | C15 | O5 | 123.3° | 120.0° |
| C11 | C10 | C9 | 119.1° | 120.2° |
| C10 | C11 | H41 | 119.5° | 119.9° |
| C11 | C10 | H42 | 120.5° | 119.9° |
| O7 | C29 | C1 | 118.5° | 120.0° |
| O7 | C29 | N4 | 125.9° | 120.0° |
| C15 | C13 | C14 | 114.5° | 120.1° |
| C13 | C15 | O5 | 116.9° | 120.0° |
| C13 | C14 | C9 | 120.5° | 119.8° |
| C13 | C14 | H39 | 119.8° | 120.1° |
| C10 | C9 | C14 | 120.0° | 120.0° |
| C10 | C9 | N1 | 121.9° | 120.0° |
| C9 | C10 | H42 | 120.5° | 119.9° |
| C29 | C1 | O3 | 103.3° | 110.3° |
| C29 | C1 | C2 | 115.1° | 110.3° |
| C1 | C29 | N4 | 115.6° | 120.0° |
| O3 | C1 | C2 | 106.3° | 105.0° |
| C1 | O3 | C4 | 112.1° | 104.6° |
| C1 | C2 | C28 | 113.8° | 110.4° |
| C1 | C2 | C3 | 116.4° | 110.4° |
| C1 | C2 | O1 | 101.3° | 104.9° |
| C29 | N4 | C30 | 124.8° | 120.0° |
| C29 | N4 | H23 | 117.6° | 120.0° |
| C28 | C2 | C3 | 106.0° | 110.3° |
| C28 | C2 | O1 | 111.0° | 110.4° |
| C2 | C28 | H25 | 109.5° | 109.4° |
| C2 | C28 | H26 | 109.5° | 109.5° |
| C2 | C28 | H27 | 109.4° | 109.5° |
| C14 | C9 | N1 | 118.0° | 120.0° |
| C9 | C14 | H39 | 119.7° | 120.1° |
| C9 | N1 | C8 | 125.0° | 120.0° |
| C9 | N1 | H38 | 117.5° | 120.0° |
| O3 | C4 | C8 | 108.8° | 110.4° |
| O3 | C4 | O1 | 103.7° | 104.7° |
| O3 | C4 | C5 | 112.2° | 110.4° |
| C32 | C31 | C30 | 119.3° | 120.2° |
| C31 | C32 | C33 | 120.0° | 120.2° |
| C31 | C32 | H20 | 120.0° | 119.9° |
| C32 | C31 | H21 | 120.3° | 119.9° |
| C31 | C30 | N4 | 123.6° | 120.0° |
| C31 | C30 | C35 | 120.1° | 120.0° |
| C30 | C31 | H21 | 120.3° | 119.9° |
| C3 | C2 | O1 | 108.1° | 110.4° |
| C2 | C3 | H28 | 109.5° | 109.5° |
| C2 | C3 | H29 | 109.5° | 109.4° |
| C2 | C3 | H30 | 109.4° | 109.5° |
| C2 | O1 | C4 | 114.1° | 104.6° |
| O4 | C8 | N1 | 125.1° | 120.0° |
| O4 | C8 | C4 | 124.7° | 120.0° |
| N4 | C30 | C35 | 116.3° | 120.0° |
| C30 | N4 | H23 | 117.6° | 120.0° |
| N1 | C8 | C4 | 110.2° | 120.0° |
| C8 | N1 | H38 | 117.5° | 120.0° |
| C8 | C4 | O1 | 104.0° | 110.4° |
| C8 | C4 | C5 | 117.9° | 110.4° |
| C32 | C33 | C34 | 120.2° | 120.0° |
| C32 | C33 | H19 | 119.9° | 120.1° |
| C33 | C32 | H20 | 120.0° | 119.9° |
| C30 | C35 | C34 | 120.9° | 119.8° |
| C30 | C35 | H22 | 119.6° | 120.1° |
| O1 | C4 | C5 | 109.0° | 110.4° |
| C4 | C5 | C7 | 112.2° | 109.4° |
| C4 | C5 | O2 | 106.3° | 109.5° |
| C4 | C5 | C6 | 112.4° | 109.5° |
| C33 | C34 | C35 | 119.5° | 119.8° |
| C33 | C34 | C36 | 120.8° | 120.1° |
| C34 | C33 | H19 | 119.9° | 120.0° |
| C7 | C5 | O2 | 108.0° | 109.4° |
| C7 | C5 | C6 | 109.0° | 109.5° |
| C5 | C7 | H31 | 109.5° | 109.5° |
| C5 | C7 | H32 | 109.4° | 109.4° |
| C5 | C7 | H33 | 109.5° | 109.5° |
| C35 | C34 | C36 | 119.7° | 120.1° |
| C34 | C35 | H22 | 119.6° | 120.1° |
| O2 | C5 | C6 | 108.7° | 109.5° |
| C5 | O2 | H34 | 109.5° | 114.1° |
| C5 | C6 | H35 | 109.5° | 109.5° |
| C5 | C6 | H36 | 109.5° | 109.4° |
| C5 | C6 | H37 | 109.5° | 109.5° |
| C34 | C36 | O8 | 116.2° | 120.0° |
| C34 | C36 | N5 | 122.9° | 120.0° |
| O8 | C36 | N5 | 120.9° | 120.0° |
| C36 | N5 | C41 | 122.6° | 120.6° |
| C36 | N5 | C37 | 122.6° | 120.7° |
| C41 | N5 | C37 | 114.8° | 118.8° |
| N5 | C41 | C40 | 105.7° | 108.8° |
| N5 | C41 | H1 | 110.4° | 109.6° |
| N5 | C41 | H2 | 110.4° | 109.6° |
| N5 | C37 | C38 | 107.6° | 108.5° |
| N5 | C37 | H17 | 110.0° | 109.6° |
| N5 | C37 | H18 | 109.9° | 109.6° |
| C41 | C40 | C39 | 111.3° | 109.3° |
| C40 | C41 | H1 | 110.4° | 109.6° |
| C40 | C41 | H2 | 110.4° | 109.6° |
| C41 | C40 | H3 | 109.0° | 109.5° |
| C41 | C40 | H4 | 109.0° | 109.5° |
| C37 | C38 | C39 | 110.0° | 109.3° |
| C37 | C38 | H15 | 109.3° | 109.7° |
| C37 | C38 | H16 | 109.3° | 109.5° |
| C38 | C37 | H17 | 109.9° | 109.7° |
| C38 | C37 | H18 | 109.9° | 109.7° |
| C40 | C39 | C38 | 110.3° | 109.6° |
| C40 | C39 | C42 | 107.7° | 109.5° |
| C39 | C40 | H3 | 109.0° | 109.5° |
| C39 | C40 | H4 | 109.0° | 109.5° |
| C40 | C39 | H5 | 107.7° | 109.4° |
| C38 | C39 | C42 | 115.0° | 109.5° |
| C38 | C39 | H5 | 107.7° | 109.4° |
| C39 | C38 | H15 | 109.3° | 109.5° |
| C39 | C38 | H16 | 109.4° | 109.5° |
| C39 | C42 | C47 | 127.2° | 120.0° |
| C39 | C42 | C43 | 112.8° | 120.0° |
| C42 | C39 | H5 | 108.2° | 109.4° |
| C47 | C42 | C43 | 119.9° | 120.0° |
| C42 | C47 | C46 | 117.7° | 120.0° |
| C42 | C47 | H6 | 121.2° | 120.0° |
| C42 | C43 | C44 | 121.8° | 120.0° |
| C42 | C43 | H14 | 119.1° | 120.0° |
| C47 | C46 | C48 | 126.1° | 120.0° |
| C47 | C46 | C45 | 121.1° | 120.0° |
| C46 | C47 | H6 | 121.1° | 120.0° |
| N6 | C48 | C46 | 113.5° | 109.4° |
| N6 | C48 | H7 | 108.4° | 109.5° |
| N6 | C48 | H8 | 108.5° | 109.4° |
| C48 | N6 | H9 | 109.5° | 111.0° |
| C48 | N6 | H10 | 109.5° | 111.1° |
| C43 | C44 | C45 | 118.7° | 120.0° |
| C43 | C44 | H13 | 120.7° | 120.0° |
| C44 | C43 | H14 | 119.1° | 120.0° |
| C48 | C46 | C45 | 112.8° | 120.0° |
| C46 | C48 | H7 | 108.5° | 109.5° |
| C46 | C48 | H8 | 108.4° | 109.4° |
| C46 | C45 | C44 | 120.8° | 120.0° |
| C46 | C45 | H12 | 119.6° | 120.0° |
| C44 | C45 | H12 | 119.6° | 120.0° |
| C45 | C44 | H13 | 120.7° | 120.0° |
| H1 | C41 | H2 | 109.5° | 109.7° |
| H3 | C40 | H4 | 109.5° | 109.5° |
| H7 | C48 | H8 | 109.5° | 109.5° |
| H9 | N6 | H10 | 109.5° | 111.0° |
| H15 | C38 | H16 | 109.5° | 109.5° |
| H17 | C37 | H18 | 109.5° | 109.8° |
| H25 | C28 | H26 | 109.4° | 109.5° |
| H25 | C28 | H27 | 109.5° | 109.4° |
| H26 | C28 | H27 | 109.5° | 109.5° |
| H28 | C3 | H29 | 109.4° | 109.5° |
| H28 | C3 | H30 | 109.5° | 109.5° |
| H29 | C3 | H30 | 109.5° | 109.4° |
| H31 | C7 | H32 | 109.4° | 109.4° |
| H31 | C7 | H33 | 109.5° | 109.5° |
| H32 | C7 | H33 | 109.5° | 109.5° |
| H35 | C6 | H36 | 109.5° | 109.5° |
| H35 | C6 | H37 | 109.4° | 109.5° |
| H36 | C6 | H37 | 109.5° | 109.5° |
| H43 | C20 | H44 | 109.5° | 109.6° |
| H45 | C19 | H46 | 109.4° | 109.5° |
| H48 | C17 | H49 | 109.4° | 109.5° |
| H50 | C16 | H51 | 109.4° | 109.7° |
| H53 | C27 | H54 | 109.5° | 109.4° |
| H55 | N3 | H56 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C24 | C25 | H58 | 180.0° | 179.8° |
| C23 | C24 | C25 | C27 | 179.8° | 180.0° |
| C24 | C23 | C22 | H59 | 180.0° | 179.8° |
| C23 | C24 | C25 | C26 | 0.5° | 0.1° |
| C24 | C23 | C22 | C21 | 0.3° | 0.4° |
| C24 | C23 | C22 | H60 | 179.7° | 180.0° |
| C24 | C25 | C27 | N3 | 109.2° | 90.0° |
| C24 | C25 | C27 | C26 | 179.7° | 179.9° |
| C25 | C24 | C23 | C22 | 0.4° | 0.2° |
| C24 | C25 | C26 | C21 | 0.5° | 0.0° |
| C24 | C25 | C26 | H52 | 179.5° | 180.0° |
| C24 | C25 | C27 | H53 | 10.6° | 30.0° |
| C24 | C25 | C27 | H54 | 131.1° | 149.9° |
| C25 | C24 | C23 | H59 | 179.6° | 180.0° |
| N3 | C27 | C25 | H53 | 119.8° | 120.0° |
| N3 | C27 | C25 | H54 | 119.8° | 120.1° |
| N3 | C27 | C25 | C26 | 70.5° | 90.0° |
| N3 | C27 | H53 | H54 | 120.7° | 120.0° |
| C27 | N3 | H55 | H56 | 120.0° | 124.0° |
| C27 | C25 | C26 | C21 | 179.8° | 180.0° |
| C27 | C25 | C26 | H52 | 0.2° | 0.0° |
| C25 | C27 | H53 | H54 | 120.7° | 120.0° |
| C25 | C27 | N3 | H55 | 180.0° | 56.0° |
| C25 | C27 | N3 | H56 | 60.0° | 180.0° |
| C27 | C25 | C24 | H58 | 0.2° | 0.2° |
| C23 | C22 | C21 | H60 | 180.0° | 179.6° |
| C23 | C22 | C21 | C26 | 0.3° | 0.5° |
| C23 | C22 | C21 | C18 | 179.2° | 179.8° |
| C22 | C23 | C24 | H58 | 179.6° | 180.0° |
| C25 | C26 | C21 | C22 | 0.4° | 0.2° |
| C25 | C26 | C21 | H52 | 180.0° | 180.0° |
| C25 | C26 | C21 | C18 | 179.0° | 180.0° |
| C26 | C25 | C27 | H53 | 169.7° | 149.9° |
| C26 | C25 | C27 | H54 | 49.2° | 30.0° |
| C26 | C25 | C24 | H58 | 179.5° | 179.8° |
| C22 | C21 | C26 | C18 | 179.5° | 179.7° |
| C22 | C21 | C18 | C17 | 101.5° | 60.3° |
| C22 | C21 | C18 | C19 | 136.6° | 59.8° |
| C22 | C21 | C18 | H47 | 16.4° | 179.8° |
| C22 | C21 | C26 | H52 | 179.6° | 179.7° |
| C21 | C22 | C23 | H59 | 179.7° | 179.7° |
| C26 | C21 | C18 | C17 | 78.0° | 120.0° |
| C26 | C21 | C18 | C19 | 43.9° | 119.9° |
| C26 | C21 | C18 | H47 | 164.1° | 0.1° |
| C26 | C21 | C22 | H60 | 179.7° | 180.0° |
| C21 | C18 | C17 | C19 | 123.9° | 120.1° |
| C21 | C18 | C17 | H47 | 118.3° | 120.0° |
| C21 | C18 | C19 | H47 | 120.5° | 120.0° |
| C21 | C18 | C17 | C16 | 176.2° | 178.6° |
| C21 | C18 | C19 | C20 | 179.3° | 178.6° |
| C21 | C18 | C19 | H45 | 60.6° | 58.6° |
| C21 | C18 | C19 | H46 | 59.3° | 61.4° |
| C21 | C18 | C17 | H48 | 56.5° | 58.5° |
| C21 | C18 | C17 | H49 | 64.0° | 61.5° |
| C18 | C21 | C26 | H52 | 0.9° | 0.0° |
| C18 | C21 | C22 | H60 | 0.8° | 0.2° |
| C17 | C18 | C19 | H47 | 117.8° | 120.0° |
| C18 | C17 | C16 | H48 | 119.8° | 120.1° |
| C18 | C17 | C16 | H49 | 119.8° | 119.9° |
| C17 | C18 | C19 | C20 | 59.0° | 61.4° |
| C18 | C17 | C16 | N2 | 61.4° | 54.4° |
| C17 | C18 | C19 | H45 | 61.0° | 178.7° |
| C17 | C18 | C19 | H46 | 179.1° | 58.6° |
| C18 | C17 | H48 | H49 | 120.7° | 120.1° |
| C18 | C17 | C16 | H50 | 57.7° | 174.4° |
| C18 | C17 | C16 | H51 | 179.5° | 65.1° |
| C19 | C18 | C17 | C16 | 59.9° | 61.3° |
| C18 | C19 | C20 | H45 | 120.0° | 119.9° |
| C18 | C19 | C20 | H46 | 120.0° | 120.0° |
| C18 | C19 | C20 | N2 | 59.0° | 54.6° |
| C18 | C19 | C20 | H43 | 178.2° | 65.1° |
| C18 | C19 | C20 | H44 | 60.1° | 174.5° |
| C18 | C19 | H45 | H46 | 119.9° | 120.1° |
| C19 | C18 | C17 | H48 | 179.6° | 178.6° |
| C19 | C18 | C17 | H49 | 59.9° | 58.6° |
| C17 | C16 | N2 | H50 | 119.1° | 120.0° |
| C17 | C16 | N2 | H51 | 119.1° | 119.7° |
| C17 | C16 | N2 | C20 | 69.7° | 53.3° |
| C17 | C16 | N2 | C15 | 110.5° | 126.5° |
| C16 | C17 | C18 | H47 | 58.0° | 58.7° |
| C16 | C17 | H48 | H49 | 120.7° | 119.9° |
| C17 | C16 | H50 | H51 | 122.6° | 120.4° |
| C19 | C20 | N2 | C16 | 68.0° | 53.4° |
| C19 | C20 | N2 | H43 | 119.2° | 119.8° |
| C19 | C20 | N2 | H44 | 119.2° | 119.9° |
| C19 | C20 | N2 | C15 | 112.2° | 126.4° |
| C19 | C20 | H43 | H44 | 122.4° | 120.4° |
| C20 | C19 | H45 | H46 | 119.9° | 120.0° |
| C20 | C19 | C18 | H47 | 58.8° | 58.6° |
| C16 | N2 | C20 | C15 | 179.8° | 179.8° |
| C16 | N2 | C15 | C13 | 3.9° | 4.3° |
| C16 | N2 | C15 | O5 | 178.6° | 175.6° |
| C16 | N2 | C20 | H43 | 172.8° | 66.4° |
| C16 | N2 | C20 | H44 | 51.2° | 173.3° |
| N2 | C16 | C17 | H48 | 178.8° | 174.5° |
| N2 | C16 | C17 | H49 | 58.4° | 65.5° |
| N2 | C16 | H50 | H51 | 122.6° | 120.0° |
| O6 | C1 | C29 | O7 | 28.3° | 127.5° |
| O6 | C1 | C29 | O3 | 115.6° | 122.2° |
| O6 | C1 | C29 | C2 | 128.9° | 122.2° |
| O6 | C1 | O3 | C2 | 121.5° | 119.0° |
| O6 | C1 | C29 | N4 | 151.6° | 52.4° |
| O6 | C1 | C2 | C28 | 8.0° | 0.0° |
| O6 | C1 | O3 | C4 | 120.8° | 95.3° |
| O6 | C1 | C2 | C3 | 115.8° | 122.2° |
| O6 | C1 | C2 | O1 | 127.2° | 118.9° |
| C11 | C12 | C13 | H40 | 180.0° | 179.7° |
| C12 | C11 | C10 | H41 | 180.0° | 179.7° |
| C11 | C12 | C13 | C15 | 179.9° | 179.9° |
| C11 | C12 | C13 | C14 | 0.5° | 0.1° |
| C12 | C11 | C10 | C9 | 0.0° | 0.6° |
| C12 | C11 | C10 | H42 | 180.0° | 180.0° |
| C12 | C13 | C15 | N2 | 109.5° | 35.7° |
| C13 | C12 | C11 | C10 | 0.1° | 0.4° |
| C12 | C13 | C15 | C14 | 179.7° | 180.0° |
| C12 | C13 | C15 | O5 | 72.8° | 144.4° |
| C12 | C13 | C14 | C9 | 1.2° | 0.0° |
| C12 | C13 | C14 | H39 | 178.8° | 180.0° |
| C13 | C12 | C11 | H41 | 179.9° | 180.0° |
| C20 | N2 | C15 | C13 | 175.9° | 175.9° |
| C20 | N2 | C15 | O5 | 1.6° | 4.1° |
| N2 | C20 | H43 | H44 | 122.4° | 120.3° |
| N2 | C20 | C19 | H45 | 61.0° | 174.6° |
| N2 | C20 | C19 | H46 | 179.1° | 65.4° |
| C20 | N2 | C16 | H50 | 49.4° | 173.3° |
| C20 | N2 | C16 | H51 | 171.2° | 66.4° |
| N2 | C15 | C13 | O5 | 177.7° | 180.0° |
| N2 | C15 | C13 | C14 | 70.8° | 144.3° |
| C15 | N2 | C20 | H43 | 7.0° | 113.8° |
| C15 | N2 | C20 | H44 | 128.7° | 6.5° |
| C15 | N2 | C16 | H50 | 130.4° | 6.5° |
| C15 | N2 | C16 | H51 | 8.7° | 113.8° |
| C11 | C10 | C9 | H42 | 180.0° | 179.4° |
| C11 | C10 | C9 | C14 | 0.7° | 0.6° |
| C11 | C10 | C9 | N1 | 178.6° | 179.7° |
| C10 | C11 | C12 | H40 | 179.9° | 180.0° |
| O7 | C29 | C1 | N4 | 179.9° | 179.9° |
| O7 | C29 | C1 | O3 | 143.9° | 5.2° |
| O7 | C29 | C1 | C2 | 100.6° | 110.3° |
| O7 | C29 | N4 | C30 | 11.8° | 3.4° |
| O7 | C29 | N4 | H23 | 168.2° | 176.6° |
| C15 | C13 | C14 | C9 | 179.1° | 180.0° |
| C15 | C13 | C14 | H39 | 0.9° | 0.0° |
| C15 | C13 | C12 | H40 | 0.1° | 0.3° |
| C14 | C13 | C15 | O5 | 106.8° | 35.6° |
| C13 | C14 | C9 | C10 | 1.3° | 0.3° |
| C13 | C14 | C9 | H39 | 180.0° | 180.0° |
| C13 | C14 | C9 | N1 | 179.3° | 180.0° |
| C14 | C13 | C12 | H40 | 179.5° | 179.7° |
| C10 | C9 | C14 | N1 | 178.0° | 179.7° |
| C10 | C9 | N1 | C8 | 139.1° | 29.8° |
| C10 | C9 | N1 | H38 | 40.9° | 150.1° |
| C10 | C9 | C14 | H39 | 178.7° | 179.7° |
| C9 | C10 | C11 | H41 | 180.0° | 179.7° |
| C29 | C1 | O3 | C2 | 121.6° | 118.8° |
| C29 | C1 | C2 | C28 | 135.6° | 122.2° |
| C29 | C1 | O3 | C4 | 122.3° | 142.5° |
| C29 | C1 | C2 | C3 | 11.8° | 0.0° |
| C29 | C1 | C2 | O1 | 105.2° | 118.9° |
| C1 | C29 | N4 | C30 | 168.3° | 176.5° |
| C1 | C29 | N4 | H23 | 11.8° | 3.5° |
| C29 | C1 | O6 | H24 | 12.5° | 59.4° |
| O3 | C1 | C29 | N4 | 36.0° | 174.7° |
| O3 | C1 | C2 | C28 | 110.7° | 119.0° |
| O3 | C1 | C2 | C3 | 125.5° | 118.9° |
| O3 | C1 | C2 | O1 | 8.6° | 0.0° |
| C1 | O3 | C4 | C8 | 100.4° | 79.5° |
| C1 | O3 | C4 | O1 | 9.8° | 39.3° |
| C1 | O3 | C4 | C5 | 127.2° | 158.2° |
| O3 | C1 | O6 | H24 | 124.9° | 62.9° |
| C2 | C1 | C29 | N4 | 79.4° | 69.8° |
| C1 | C2 | C28 | C3 | 129.3° | 122.2° |
| C1 | C2 | C28 | O1 | 113.5° | 115.6° |
| C2 | C1 | O3 | C4 | 0.7° | 23.6° |
| C1 | C2 | C3 | O1 | 113.1° | 115.5° |
| C1 | C2 | O1 | C4 | 15.6° | 23.6° |
| C2 | C1 | O6 | H24 | 117.7° | 178.5° |
| C1 | C2 | C28 | H25 | 180.0° | 63.1° |
| C1 | C2 | C28 | H26 | 60.0° | 176.8° |
| C1 | C2 | C28 | H27 | 60.0° | 56.8° |
| C1 | C2 | C3 | H28 | 180.0° | 67.2° |
| C1 | C2 | C3 | H29 | 60.0° | 172.8° |
| C1 | C2 | C3 | H30 | 60.0° | 52.9° |
| C29 | N4 | C30 | C31 | 2.1° | 27.3° |
| C29 | N4 | C30 | H23 | 180.0° | 179.9° |
| C29 | N4 | C30 | C35 | 177.3° | 152.4° |
| C28 | C2 | C3 | O1 | 119.1° | 122.3° |
| C28 | C2 | O1 | C4 | 105.6° | 95.3° |
| C2 | C28 | H25 | H26 | 120.0° | 120.0° |
| C2 | C28 | H25 | H27 | 120.0° | 119.9° |
| C2 | C28 | H26 | H27 | 120.0° | 120.0° |
| C28 | C2 | C3 | H28 | 52.3° | 55.0° |
| C28 | C2 | C3 | H29 | 172.2° | 65.0° |
| C28 | C2 | C3 | H30 | 67.8° | 175.1° |
| C14 | C9 | N1 | C8 | 42.9° | 150.4° |
| C14 | C9 | N1 | H38 | 137.0° | 29.6° |
| C14 | C9 | C10 | H42 | 179.3° | 180.0° |
| C9 | N1 | C8 | O4 | 25.4° | 4.6° |
| C9 | N1 | C8 | H38 | 180.0° | 180.0° |
| C9 | N1 | C8 | C4 | 155.2° | 175.4° |
| N1 | C9 | C14 | H39 | 0.7° | 0.0° |
| N1 | C9 | C10 | H42 | 1.4° | 0.3° |
| O3 | C4 | O1 | C2 | 16.4° | 39.3° |
| O3 | C4 | C8 | O4 | 73.7° | 22.3° |
| O3 | C4 | C8 | N1 | 106.8° | 157.7° |
| O3 | C4 | C8 | O1 | 110.0° | 115.2° |
| O3 | C4 | C8 | C5 | 129.3° | 122.3° |
| O3 | C4 | O1 | C5 | 119.7° | 118.8° |
| O3 | C4 | C5 | C7 | 26.8° | 63.0° |
| O3 | C4 | C5 | O2 | 91.1° | 177.0° |
| O3 | C4 | C5 | C6 | 150.2° | 57.0° |
| C32 | C31 | C30 | H21 | 180.0° | 179.9° |
| C32 | C31 | C30 | N4 | 179.6° | 180.0° |
| C31 | C32 | C33 | H20 | 180.0° | 179.9° |
| C32 | C31 | C30 | C35 | 0.2° | 0.2° |
| C31 | C32 | C33 | C34 | 0.1° | 0.1° |
| C31 | C32 | C33 | H19 | 179.9° | 179.9° |
| C31 | C30 | N4 | C35 | 179.4° | 179.7° |
| C30 | C31 | C32 | C33 | 0.4° | 0.1° |
| C31 | C30 | C35 | C34 | 1.2° | 0.6° |
| C30 | C31 | C32 | H20 | 179.6° | 180.0° |
| C31 | C30 | C35 | H22 | 178.8° | 179.7° |
| C31 | C30 | N4 | H23 | 178.0° | 152.7° |
| C3 | C2 | O1 | C4 | 138.5° | 142.5° |
| C3 | C2 | C28 | H25 | 50.7° | 174.7° |
| C3 | C2 | C28 | H26 | 69.2° | 54.6° |
| C3 | C2 | C28 | H27 | 170.7° | 65.4° |
| C2 | C3 | H28 | H29 | 120.0° | 120.0° |
| C2 | C3 | H28 | H30 | 120.0° | 120.0° |
| C2 | C3 | H29 | H30 | 120.0° | 119.9° |
| C2 | O1 | C4 | C8 | 97.3° | 79.5° |
| C2 | O1 | C4 | C5 | 136.1° | 158.1° |
| O1 | C2 | C28 | H25 | 66.5° | 52.4° |
| O1 | C2 | C28 | H26 | 173.6° | 67.6° |
| O1 | C2 | C28 | H27 | 53.5° | 172.3° |
| O1 | C2 | C3 | H28 | 66.8° | 177.3° |
| O1 | C2 | C3 | H29 | 53.1° | 57.3° |
| O1 | C2 | C3 | H30 | 173.1° | 62.6° |
| O4 | C8 | N1 | C4 | 179.5° | 180.0° |
| O4 | C8 | C4 | O1 | 176.3° | 137.5° |
| O4 | C8 | C4 | C5 | 55.6° | 100.0° |
| O4 | C8 | N1 | H38 | 154.6° | 175.4° |
| N4 | C30 | C35 | C34 | 179.4° | 179.7° |
| N4 | C30 | C31 | H21 | 0.4° | 0.0° |
| N4 | C30 | C35 | H22 | 0.6° | 0.0° |
| N1 | C8 | C4 | O1 | 3.2° | 42.5° |
| N1 | C8 | C4 | C5 | 123.9° | 80.0° |
| C8 | C4 | O1 | C5 | 126.6° | 122.4° |
| C8 | C4 | C5 | C7 | 100.8° | 174.6° |
| C8 | C4 | C5 | O2 | 141.2° | 54.7° |
| C8 | C4 | C5 | C6 | 22.5° | 65.3° |
| C4 | C8 | N1 | H38 | 24.8° | 4.6° |
| C32 | C33 | C34 | H19 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.9° | 0.3° |
| C32 | C33 | C34 | C36 | 179.2° | 180.0° |
| C33 | C32 | C31 | H21 | 179.6° | 180.0° |
| C30 | C35 | C34 | C33 | 1.5° | 0.6° |
| C30 | C35 | C34 | H22 | 180.0° | 179.7° |
| C30 | C35 | C34 | C36 | 179.9° | 179.7° |
| C35 | C30 | C31 | H21 | 179.8° | 179.7° |
| C35 | C30 | N4 | H23 | 2.7° | 27.6° |
| O1 | C4 | C5 | C7 | 141.0° | 52.2° |
| O1 | C4 | C5 | O2 | 23.1° | 67.7° |
| O1 | C4 | C5 | C6 | 95.6° | 172.3° |
| C4 | C5 | C7 | O2 | 116.9° | 120.0° |
| C4 | C5 | C7 | C6 | 125.2° | 120.0° |
| C4 | C5 | O2 | C6 | 121.2° | 120.0° |
| C4 | C5 | C7 | H31 | 180.0° | 60.0° |
| C4 | C5 | C7 | H32 | 60.0° | 179.9° |
| C4 | C5 | C7 | H33 | 60.0° | 60.1° |
| C4 | C5 | O2 | H34 | 180.0° | 180.0° |
| C4 | C5 | C6 | H35 | 180.0° | 64.6° |
| C4 | C5 | C6 | H36 | 60.0° | 175.5° |
| C4 | C5 | C6 | H37 | 60.0° | 55.4° |
| C33 | C34 | C35 | C36 | 178.3° | 179.7° |
| C33 | C34 | C36 | O8 | 61.2° | 35.6° |
| C33 | C34 | C36 | N5 | 119.1° | 144.2° |
| C34 | C33 | C32 | H20 | 179.9° | 180.0° |
| C33 | C34 | C35 | H22 | 178.5° | 179.7° |
| C7 | C5 | O2 | C6 | 118.1° | 120.0° |
| C5 | C7 | H31 | H32 | 120.0° | 120.0° |
| C5 | C7 | H31 | H33 | 120.0° | 120.0° |
| C5 | C7 | H32 | H33 | 120.0° | 120.0° |
| C7 | C5 | O2 | H34 | 59.3° | 60.0° |
| C7 | C5 | C6 | H35 | 54.9° | 55.4° |
| C7 | C5 | C6 | H36 | 174.9° | 64.5° |
| C7 | C5 | C6 | H37 | 65.1° | 175.4° |
| C35 | C34 | C36 | O8 | 117.1° | 144.1° |
| C35 | C34 | C36 | N5 | 62.6° | 36.1° |
| C35 | C34 | C33 | H19 | 179.1° | 179.7° |
| O2 | C5 | C7 | H31 | 63.1° | 60.0° |
| O2 | C5 | C7 | H32 | 176.9° | 60.0° |
| O2 | C5 | C7 | H33 | 56.9° | 179.9° |
| O2 | C5 | C6 | H35 | 62.6° | 175.4° |
| O2 | C5 | C6 | H36 | 57.4° | 55.4° |
| O2 | C5 | C6 | H37 | 177.4° | 64.6° |
| C6 | C5 | C7 | H31 | 54.8° | 180.0° |
| C6 | C5 | C7 | H32 | 65.2° | 60.0° |
| C6 | C5 | C7 | H33 | 174.8° | 60.0° |
| C6 | C5 | O2 | H34 | 58.8° | 60.0° |
| C5 | C6 | H35 | H36 | 120.0° | 120.0° |
| C5 | C6 | H35 | H37 | 120.0° | 120.0° |
| C5 | C6 | H36 | H37 | 120.0° | 120.0° |
| C34 | C36 | O8 | N5 | 179.7° | 179.8° |
| C34 | C36 | N5 | C41 | 8.0° | 3.7° |
| C34 | C36 | N5 | C37 | 172.0° | 176.0° |
| C36 | C34 | C33 | H19 | 0.8° | 0.0° |
| C36 | C34 | C35 | H22 | 0.1° | 0.0° |
| O8 | C36 | N5 | C41 | 172.4° | 176.0° |
| O8 | C36 | N5 | C37 | 7.7° | 4.2° |
| C36 | N5 | C41 | C37 | 179.9° | 179.7° |
| C36 | N5 | C41 | C40 | 115.6° | 126.4° |
| C36 | N5 | C37 | C38 | 115.5° | 126.4° |
| C36 | N5 | C41 | H1 | 3.8° | 6.6° |
| C36 | N5 | C41 | H2 | 125.0° | 113.8° |
| C36 | N5 | C37 | H17 | 124.8° | 113.8° |
| C36 | N5 | C37 | H18 | 4.2° | 6.6° |
| N5 | C41 | C40 | H1 | 119.4° | 119.8° |
| N5 | C41 | C40 | H2 | 119.4° | 119.7° |
| C41 | N5 | C37 | C38 | 64.5° | 53.9° |
| N5 | C41 | C40 | C39 | 57.7° | 54.6° |
| N5 | C41 | H1 | H2 | 121.7° | 120.4° |
| N5 | C41 | C40 | H3 | 62.6° | 65.4° |
| N5 | C41 | C40 | H4 | 178.0° | 174.6° |
| C41 | N5 | C37 | H17 | 55.1° | 65.9° |
| C41 | N5 | C37 | H18 | 175.7° | 173.6° |
| C37 | N5 | C41 | C40 | 64.4° | 53.9° |
| N5 | C37 | C38 | H17 | 119.7° | 119.7° |
| N5 | C37 | C38 | H18 | 119.7° | 119.7° |
| N5 | C37 | C38 | C39 | 56.2° | 54.8° |
| C37 | N5 | C41 | H1 | 176.2° | 173.6° |
| C37 | N5 | C41 | H2 | 55.0° | 65.9° |
| N5 | C37 | C38 | H15 | 176.3° | 65.1° |
| N5 | C37 | C38 | H16 | 63.9° | 174.7° |
| N5 | C37 | H17 | H18 | 120.9° | 120.4° |
| C41 | C40 | C39 | H3 | 120.3° | 119.9° |
| C41 | C40 | C39 | H4 | 120.3° | 120.0° |
| C41 | C40 | C39 | C38 | 55.6° | 61.3° |
| C41 | C40 | C39 | C42 | 178.2° | 178.6° |
| C40 | C41 | H1 | H2 | 121.7° | 120.3° |
| C41 | C40 | H3 | H4 | 119.2° | 120.0° |
| C41 | C40 | C39 | H5 | 61.7° | 58.7° |
| C37 | C38 | C39 | C40 | 53.9° | 61.5° |
| C37 | C38 | C39 | H15 | 120.1° | 120.1° |
| C37 | C38 | C39 | H16 | 120.1° | 119.9° |
| C37 | C38 | C39 | C42 | 175.9° | 178.5° |
| C37 | C38 | C39 | H5 | 63.4° | 58.5° |
| C37 | C38 | H15 | H16 | 119.7° | 120.1° |
| C38 | C37 | H17 | H18 | 120.9° | 120.6° |
| C40 | C39 | C38 | C42 | 122.0° | 120.1° |
| C40 | C39 | C38 | H5 | 117.3° | 120.0° |
| C40 | C39 | C42 | H5 | 116.2° | 119.9° |
| C40 | C39 | C42 | C47 | 90.2° | 120.0° |
| C40 | C39 | C42 | C43 | 88.4° | 60.3° |
| C39 | C40 | C41 | H1 | 177.1° | 174.4° |
| C39 | C40 | C41 | H2 | 61.7° | 65.1° |
| C39 | C40 | H3 | H4 | 119.2° | 120.1° |
| C40 | C39 | C38 | H15 | 174.0° | 58.6° |
| C40 | C39 | C38 | H16 | 66.1° | 178.7° |
| C38 | C39 | C42 | H5 | 120.5° | 119.9° |
| C38 | C39 | C42 | C47 | 33.2° | 119.9° |
| C38 | C39 | C42 | C43 | 148.3° | 59.8° |
| C38 | C39 | C40 | H3 | 64.7° | 58.6° |
| C38 | C39 | C40 | H4 | 175.9° | 178.7° |
| C39 | C38 | H15 | H16 | 119.8° | 120.0° |
| C39 | C38 | C37 | H17 | 63.5° | 64.9° |
| C39 | C38 | C37 | H18 | 175.9° | 174.5° |
| C39 | C42 | C47 | C43 | 178.4° | 179.7° |
| C39 | C42 | C47 | C46 | 178.5° | 180.0° |
| C39 | C42 | C43 | C44 | 178.9° | 179.8° |
| C42 | C39 | C40 | H3 | 61.5° | 61.5° |
| C42 | C39 | C40 | H4 | 57.9° | 58.6° |
| C39 | C42 | C47 | H6 | 1.5° | 0.0° |
| C39 | C42 | C43 | H14 | 1.1° | 0.0° |
| C42 | C39 | C38 | H15 | 64.0° | 61.4° |
| C42 | C39 | C38 | H16 | 55.8° | 58.6° |
| C42 | C47 | C46 | H6 | 180.0° | 180.0° |
| C47 | C42 | C43 | C44 | 0.2° | 0.5° |
| C42 | C47 | C46 | C48 | 179.7° | 180.0° |
| C42 | C47 | C46 | C45 | 0.4° | 0.0° |
| C47 | C42 | C39 | H5 | 153.7° | 0.0° |
| C47 | C42 | C43 | H14 | 179.7° | 179.7° |
| C43 | C42 | C47 | C46 | 0.0° | 0.3° |
| C42 | C43 | C44 | H14 | 180.0° | 179.8° |
| C42 | C43 | C44 | C45 | 0.0° | 0.5° |
| C43 | C42 | C39 | H5 | 27.8° | 179.7° |
| C43 | C42 | C47 | H6 | 179.9° | 179.7° |
| C42 | C43 | C44 | H13 | 180.0° | 179.8° |
| C47 | C46 | C48 | N6 | 10.6° | 90.0° |
| C47 | C46 | C48 | C45 | 179.4° | 180.0° |
| C47 | C46 | C45 | C44 | 0.6° | 0.0° |
| C47 | C46 | C48 | H7 | 110.0° | 150.0° |
| C47 | C46 | C48 | H8 | 131.1° | 29.9° |
| C47 | C46 | C45 | H12 | 179.4° | 180.0° |
| N6 | C48 | C46 | H7 | 120.6° | 120.1° |
| N6 | C48 | C46 | H8 | 120.6° | 119.9° |
| N6 | C48 | C46 | C45 | 170.1° | 90.1° |
| N6 | C48 | H7 | H8 | 118.2° | 120.0° |
| C48 | N6 | H9 | H10 | 120.0° | 124.1° |
| C43 | C44 | C45 | C46 | 0.4° | 0.3° |
| C43 | C44 | C45 | H13 | 180.0° | 179.7° |
| C43 | C44 | C45 | H12 | 179.6° | 179.8° |
| C48 | C46 | C45 | C44 | 180.0° | 180.0° |
| C48 | C46 | C47 | H6 | 0.3° | 0.1° |
| C46 | C48 | H7 | H8 | 118.2° | 120.0° |
| C46 | C48 | N6 | H9 | 180.0° | 180.0° |
| C46 | C48 | N6 | H10 | 60.0° | 56.0° |
| C48 | C46 | C45 | H12 | 0.0° | 0.0° |
| C46 | C45 | C44 | H12 | 180.0° | 180.0° |
| C45 | C46 | C47 | H6 | 179.7° | 179.9° |
| C45 | C46 | C48 | H7 | 69.3° | 30.0° |
| C45 | C46 | C48 | H8 | 49.5° | 150.0° |
| C46 | C45 | C44 | H13 | 179.6° | 180.0° |
| C45 | C44 | C43 | H14 | 180.0° | 179.7° |
| H1 | C41 | C40 | H3 | 56.9° | 54.4° |
| H1 | C41 | C40 | H4 | 62.6° | 65.6° |
| H2 | C41 | C40 | H3 | 178.0° | 174.9° |
| H2 | C41 | C40 | H4 | 58.6° | 54.9° |
| H3 | C40 | C39 | H5 | 178.0° | 178.6° |
| H4 | C40 | C39 | H5 | 58.5° | 61.3° |
| H5 | C39 | C38 | H15 | 56.7° | 178.6° |
| H5 | C39 | C38 | H16 | 176.5° | 61.4° |
| H7 | C48 | N6 | H9 | 59.4° | 60.0° |
| H7 | C48 | N6 | H10 | 60.6° | 176.0° |
| H8 | C48 | N6 | H9 | 59.4° | 60.1° |
| H8 | C48 | N6 | H10 | 179.4° | 63.9° |
| H12 | C45 | C44 | H13 | 0.4° | 0.0° |
| H13 | C44 | C43 | H14 | 0.0° | 0.0° |
| H15 | C38 | C37 | H17 | 56.6° | 175.2° |
| H15 | C38 | C37 | H18 | 64.0° | 54.5° |
| H16 | C38 | C37 | H17 | 176.4° | 55.0° |
| H16 | C38 | C37 | H18 | 55.8° | 65.6° |
| H19 | C33 | C32 | H20 | 0.1° | 0.0° |
| H20 | C32 | C31 | H21 | 0.4° | 0.0° |
| H25 | C28 | H26 | H27 | 120.0° | 120.0° |
| H28 | C3 | H29 | H30 | 120.0° | 120.1° |
| H31 | C7 | H32 | H33 | 120.0° | 120.0° |
| H35 | C6 | H36 | H37 | 120.0° | 120.0° |
| H40 | C12 | C11 | H41 | 0.1° | 0.3° |
| H41 | C11 | C10 | H42 | 0.0° | 0.3° |
| H43 | C20 | C19 | H45 | 58.1° | 54.8° |
| H43 | C20 | C19 | H46 | 61.8° | 174.9° |
| H44 | C20 | C19 | H45 | 179.8° | 65.6° |
| H44 | C20 | C19 | H46 | 59.9° | 54.5° |
| H45 | C19 | C18 | H47 | 178.8° | 61.4° |
| H46 | C19 | C18 | H47 | 61.3° | 178.6° |
| H47 | C18 | C17 | H48 | 61.8° | 61.5° |
| H47 | C18 | C17 | H49 | 177.7° | 178.5° |
| H48 | C17 | C16 | H50 | 62.0° | 65.5° |
| H48 | C17 | C16 | H51 | 59.7° | 55.0° |
| H49 | C17 | C16 | H50 | 177.5° | 54.5° |
| H49 | C17 | C16 | H51 | 60.8° | 174.9° |
| H53 | C27 | N3 | H55 | 60.3° | 64.0° |
| H53 | C27 | N3 | H56 | 59.8° | 60.0° |
| H54 | C27 | N3 | H55 | 60.2° | 176.0° |
| H54 | C27 | N3 | H56 | 179.7° | 60.0° |
| H58 | C24 | C23 | H59 | 0.4° | 0.2° |
| H59 | C23 | C22 | H60 | 0.3° | 0.2° |
