A1JC1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| O1 | C2 | sing | 1.36Å | 1.36Å | |
| O2 | C10 | doub | 1.21Å | 1.23Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | N2 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.55Å | 1.53Å | |
| C32 | O5 | sing | 1.43Å | 1.42Å | |
| C32 | C33 | sing | 1.53Å | 1.49Å | |
| C10 | N2 | sing | 1.35Å | 1.34Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| O5 | C31 | sing | 1.43Å | 1.46Å | |
| N2 | C20 | sing | 1.47Å | 1.46Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| O3 | C21 | doub | 1.21Å | 1.23Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| O6 | C33 | sing | 1.43Å | 1.43Å | |
| O6 | C34 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | C19 | sing | 1.55Å | 1.54Å | |
| O4 | C29 | doub | 1.21Å | 1.23Å | |
| C34 | C35 | sing | 1.53Å | 1.49Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C18 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | sing | 1.51Å | 1.53Å | |
| C21 | N3 | sing | 1.35Å | 1.33Å | |
| C30 | N5 | sing | 1.46Å | 1.45Å | |
| C19 | C20 | sing | 1.54Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | O7 | sing | 1.43Å | 1.43Å | |
| C29 | N5 | sing | 1.35Å | 1.34Å | |
| C29 | C22 | sing | 1.51Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C43 | C42 | sing | 1.53Å | 1.51Å | |
| N3 | C22 | sing | 1.46Å | 1.45Å | |
| C42 | C41 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C41 | C40 | sing | 1.53Å | 1.53Å | |
| O7 | C36 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C39 | C38 | sing | 1.53Å | 1.52Å | |
| O8 | C37 | sing | 1.43Å | 1.43Å | |
| O8 | C38 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | N4 | sing | 1.32Å | 1.33Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| N4 | C27 | doub | 1.32Å | 1.33Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| N1 | H65 | sing | 1.01Å | 1.00Å | |
| N1 | H9 | sing | 1.01Å | 1.00Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| N3 | H30 | sing | 0.97Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | 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 | |
| C28 | H37 | sing | 1.08Å | 1.08Å | |
| N5 | H38 | sing | 0.97Å | 1.00Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C32 | H44 | sing | 1.09Å | 1.10Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| C33 | H46 | sing | 1.09Å | 1.10Å | |
| C34 | H47 | sing | 1.09Å | 1.10Å | |
| C34 | H48 | sing | 1.09Å | 1.10Å | |
| C35 | H49 | sing | 1.09Å | 1.10Å | |
| C35 | H50 | sing | 1.09Å | 1.10Å | |
| C36 | H51 | sing | 1.09Å | 1.10Å | |
| C36 | H52 | sing | 1.09Å | 1.10Å | |
| C37 | H53 | sing | 1.09Å | 1.10Å | |
| C37 | H54 | sing | 1.09Å | 1.10Å | |
| C38 | H56 | sing | 1.09Å | 1.10Å | |
| C38 | H55 | sing | 1.09Å | 1.10Å | |
| C39 | H58 | sing | 1.09Å | 1.10Å | |
| C39 | H57 | sing | 1.09Å | 1.10Å | |
| C40 | H60 | sing | 1.09Å | 1.10Å | |
| C40 | H59 | sing | 1.09Å | 1.10Å | |
| C41 | H62 | sing | 1.09Å | 1.10Å | |
| C41 | H61 | sing | 1.09Å | 1.10Å | |
| C42 | H64 | sing | 1.09Å | 1.10Å | |
| C42 | H63 | sing | 1.09Å | 1.10Å | |
| C43 | H66 | sing | 1.09Å | 1.10Å | |
| C43 | H67 | sing | 1.09Å | 1.10Å | |
| C43 | CL1 | sing | 1.80Å | 1.41Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 118.0° | 117.0° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.4° | 109.5° |
| O1 | C2 | C3 | 123.7° | 120.1° |
| O1 | C2 | C7 | 115.4° | 120.1° |
| O2 | C10 | N2 | 120.0° | 120.0° |
| O2 | C10 | C9 | 121.8° | 120.0° |
| C3 | C2 | C7 | 120.8° | 119.8° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C2 | C3 | H4 | 120.2° | 120.0° |
| C2 | C7 | C8 | 121.5° | 120.0° |
| C2 | C7 | C6 | 118.0° | 120.0° |
| C3 | C4 | C5 | 120.5° | 120.0° |
| C3 | C4 | H5 | 119.8° | 120.0° |
| C4 | C3 | H4 | 120.2° | 120.0° |
| N2 | C11 | C12 | 103.9° | 104.8° |
| C11 | N2 | C10 | 125.8° | 125.6° |
| C11 | N2 | C20 | 113.6° | 108.7° |
| N2 | C11 | H13 | 110.9° | 110.4° |
| N2 | C11 | H14 | 110.9° | 110.4° |
| C11 | C12 | C13 | 117.5° | 111.0° |
| C11 | C12 | C19 | 104.6° | 101.5° |
| C12 | C11 | H13 | 110.8° | 110.3° |
| C12 | C11 | H14 | 110.8° | 110.4° |
| C11 | C12 | H15 | 106.1° | 111.0° |
| O5 | C32 | C33 | 108.7° | 109.5° |
| C32 | O5 | C31 | 97.2° | 114.0° |
| O5 | C32 | H43 | 109.7° | 109.5° |
| O5 | C32 | H44 | 109.7° | 109.5° |
| C32 | C33 | O6 | 110.3° | 109.4° |
| C33 | C32 | H43 | 109.6° | 109.5° |
| C33 | C32 | H44 | 109.6° | 109.4° |
| C32 | C33 | H45 | 109.3° | 109.5° |
| C32 | C33 | H46 | 109.2° | 109.5° |
| N2 | C10 | C9 | 118.2° | 120.1° |
| C10 | N2 | C20 | 120.6° | 125.7° |
| C10 | C9 | C8 | 114.0° | 109.5° |
| C10 | C9 | H12 | 108.3° | 109.4° |
| C10 | C9 | H11 | 108.3° | 109.5° |
| O5 | C31 | C30 | 86.6° | 109.5° |
| O5 | C31 | H42 | 114.8° | 109.4° |
| O5 | C31 | H41 | 114.8° | 109.5° |
| N2 | C20 | C21 | 112.7° | 109.8° |
| N2 | C20 | C19 | 104.0° | 107.2° |
| N2 | C20 | H29 | 110.3° | 109.9° |
| C7 | C8 | C9 | 111.7° | 109.5° |
| C7 | C8 | N1 | 113.3° | 109.5° |
| C8 | C7 | C6 | 120.5° | 120.0° |
| C7 | C8 | H8 | 106.5° | 109.5° |
| C9 | C8 | N1 | 111.5° | 109.5° |
| C9 | C8 | H8 | 106.2° | 109.4° |
| C8 | C9 | H12 | 108.3° | 109.5° |
| C8 | C9 | H11 | 108.3° | 109.5° |
| N1 | C8 | H8 | 107.0° | 109.4° |
| C8 | N1 | H65 | 109.5° | 111.0° |
| C8 | N1 | H9 | 109.5° | 111.0° |
| O3 | C21 | C20 | 121.3° | 120.0° |
| O3 | C21 | N3 | 123.5° | 120.0° |
| C7 | C6 | C5 | 121.2° | 120.1° |
| C7 | C6 | H7 | 119.4° | 120.0° |
| C33 | O6 | C34 | 112.1° | 114.0° |
| O6 | C33 | H45 | 109.2° | 109.5° |
| O6 | C33 | H46 | 109.3° | 109.5° |
| O6 | C34 | C35 | 109.9° | 109.4° |
| O6 | C34 | H47 | 109.4° | 109.5° |
| O6 | C34 | H48 | 109.3° | 109.5° |
| C4 | C5 | C6 | 119.8° | 120.1° |
| C5 | C4 | H5 | 119.7° | 120.0° |
| C4 | C5 | H6 | 120.1° | 119.9° |
| C13 | C12 | C19 | 115.5° | 111.0° |
| C12 | C13 | C14 | 112.8° | 109.5° |
| C12 | C13 | C18 | 112.2° | 109.5° |
| C13 | C12 | H15 | 106.3° | 110.9° |
| C12 | C13 | H16 | 107.3° | 109.5° |
| C12 | C19 | C20 | 105.8° | 103.0° |
| C19 | C12 | H15 | 106.0° | 111.0° |
| C12 | C19 | H27 | 110.4° | 110.7° |
| C12 | C19 | H28 | 110.4° | 110.7° |
| O4 | C29 | N5 | 123.0° | 120.0° |
| O4 | C29 | C22 | 120.9° | 120.0° |
| C34 | C35 | O7 | 110.2° | 109.5° |
| C35 | C34 | H47 | 109.4° | 109.5° |
| C35 | C34 | H48 | 109.4° | 109.5° |
| C34 | C35 | H49 | 109.3° | 109.5° |
| C34 | C35 | H50 | 109.3° | 109.5° |
| C14 | C13 | C18 | 109.8° | 109.5° |
| C13 | C14 | C15 | 112.1° | 109.5° |
| C13 | C14 | H17 | 108.8° | 109.4° |
| C13 | C14 | H18 | 108.8° | 109.4° |
| C14 | C13 | H16 | 107.2° | 109.5° |
| C13 | C18 | C17 | 112.3° | 109.5° |
| C18 | C13 | H16 | 107.2° | 109.5° |
| C13 | C18 | H26 | 108.7° | 109.5° |
| C13 | C18 | H25 | 108.8° | 109.5° |
| C31 | C30 | N5 | 112.2° | 109.5° |
| C31 | C30 | H40 | 108.8° | 109.5° |
| C31 | C30 | H39 | 108.8° | 109.5° |
| C30 | C31 | H42 | 114.9° | 109.5° |
| C30 | C31 | H41 | 114.9° | 109.5° |
| C20 | C21 | N3 | 115.1° | 119.9° |
| C21 | C20 | C19 | 111.1° | 109.9° |
| C21 | C20 | H29 | 109.3° | 110.0° |
| C21 | N3 | C22 | 123.1° | 120.0° |
| C21 | N3 | H30 | 118.5° | 120.0° |
| C30 | N5 | C29 | 123.7° | 120.0° |
| C30 | N5 | H38 | 118.1° | 120.0° |
| N5 | C30 | H40 | 108.8° | 109.5° |
| N5 | C30 | H39 | 108.8° | 109.5° |
| C20 | C19 | H27 | 110.4° | 110.8° |
| C20 | C19 | H28 | 110.4° | 110.7° |
| C19 | C20 | H29 | 109.3° | 109.9° |
| C14 | C15 | C16 | 111.6° | 109.5° |
| C15 | C14 | H17 | 108.8° | 109.5° |
| C15 | C14 | H18 | 108.8° | 109.5° |
| C14 | C15 | H19 | 108.9° | 109.4° |
| C14 | C15 | H20 | 109.0° | 109.4° |
| C6 | C5 | H6 | 120.1° | 120.0° |
| C5 | C6 | H7 | 119.4° | 120.0° |
| C35 | O7 | C36 | 114.1° | 114.0° |
| O7 | C35 | H49 | 109.3° | 109.4° |
| O7 | C35 | H50 | 109.3° | 109.4° |
| N5 | C29 | C22 | 116.1° | 120.0° |
| C29 | N5 | H38 | 118.1° | 120.0° |
| C29 | C22 | N3 | 114.2° | 109.5° |
| C29 | C22 | C23 | 111.2° | 109.4° |
| C29 | C22 | H31 | 106.1° | 109.5° |
| C15 | C16 | C17 | 111.2° | 109.5° |
| C16 | C15 | H19 | 109.0° | 109.5° |
| C16 | C15 | H20 | 108.9° | 109.5° |
| C15 | C16 | H21 | 109.0° | 109.5° |
| C15 | C16 | H22 | 109.1° | 109.5° |
| C43 | C42 | C41 | 113.6° | 109.5° |
| C43 | C42 | H64 | 108.4° | 109.4° |
| C43 | C42 | H63 | 108.4° | 109.5° |
| C42 | C43 | H66 | 106.6° | 109.5° |
| C42 | C43 | H67 | 106.6° | 109.5° |
| C42 | C43 | CL1 | 120.7° | 109.5° |
| N3 | C22 | C23 | 111.9° | 109.5° |
| C22 | N3 | H30 | 118.4° | 120.0° |
| N3 | C22 | H31 | 106.9° | 109.5° |
| C42 | C41 | C40 | 115.8° | 109.4° |
| C42 | C41 | H62 | 107.9° | 109.4° |
| C42 | C41 | H61 | 107.9° | 109.5° |
| C41 | C42 | H64 | 108.4° | 109.5° |
| C41 | C42 | H63 | 108.4° | 109.5° |
| C18 | C17 | C16 | 111.6° | 109.5° |
| C18 | C17 | H24 | 108.9° | 109.5° |
| C18 | C17 | H23 | 109.0° | 109.5° |
| C17 | C18 | H26 | 108.8° | 109.4° |
| C17 | C18 | H25 | 108.8° | 109.5° |
| C41 | C40 | C39 | 113.6° | 109.5° |
| C41 | C40 | H60 | 108.4° | 109.5° |
| C41 | C40 | H59 | 108.4° | 109.5° |
| C40 | C41 | H62 | 107.9° | 109.5° |
| C40 | C41 | H61 | 107.9° | 109.5° |
| O7 | C36 | C37 | 111.4° | 109.5° |
| O7 | C36 | H51 | 109.0° | 109.5° |
| O7 | C36 | H52 | 109.0° | 109.5° |
| C22 | C23 | C24 | 115.0° | 109.5° |
| C23 | C22 | H31 | 106.0° | 109.5° |
| C22 | C23 | H32 | 108.1° | 109.5° |
| C22 | C23 | H33 | 108.1° | 109.5° |
| C17 | C16 | H21 | 109.0° | 109.4° |
| C17 | C16 | H22 | 109.0° | 109.5° |
| C16 | C17 | H24 | 108.9° | 109.4° |
| C16 | C17 | H23 | 108.9° | 109.4° |
| C36 | C37 | O8 | 111.5° | 109.5° |
| C37 | C36 | H51 | 109.0° | 109.5° |
| C37 | C36 | H52 | 109.0° | 109.5° |
| C36 | C37 | H53 | 108.9° | 109.5° |
| C36 | C37 | H54 | 109.0° | 109.5° |
| C40 | C39 | C38 | 115.0° | 109.5° |
| C40 | C39 | H58 | 108.0° | 109.5° |
| C40 | C39 | H57 | 108.0° | 109.4° |
| C39 | C40 | H60 | 108.4° | 109.4° |
| C39 | C40 | H59 | 108.5° | 109.5° |
| C39 | C38 | O8 | 109.6° | 109.5° |
| C39 | C38 | H56 | 109.4° | 109.4° |
| C39 | C38 | H55 | 109.4° | 109.4° |
| C38 | C39 | H58 | 108.1° | 109.5° |
| C38 | C39 | H57 | 108.1° | 109.5° |
| C37 | O8 | C38 | 113.3° | 114.0° |
| O8 | C37 | H53 | 109.0° | 109.5° |
| O8 | C37 | H54 | 108.9° | 109.4° |
| O8 | C38 | H56 | 109.5° | 109.5° |
| O8 | C38 | H55 | 109.4° | 109.5° |
| C26 | C25 | C24 | 119.8° | 119.1° |
| C25 | C26 | N4 | 123.6° | 120.7° |
| C26 | C25 | H34 | 120.1° | 120.4° |
| C25 | C26 | H35 | 118.2° | 119.6° |
| C25 | C24 | C23 | 121.7° | 120.8° |
| C25 | C24 | C28 | 116.6° | 118.5° |
| C24 | C25 | H34 | 120.1° | 120.5° |
| C26 | N4 | C27 | 116.7° | 121.8° |
| N4 | C26 | H35 | 118.2° | 119.7° |
| C23 | C24 | C28 | 121.8° | 120.8° |
| C24 | C23 | H32 | 108.1° | 109.4° |
| C24 | C23 | H33 | 108.1° | 109.5° |
| C24 | C28 | C27 | 119.6° | 119.2° |
| C24 | C28 | H37 | 120.2° | 120.4° |
| N4 | C27 | C28 | 123.7° | 120.7° |
| N4 | C27 | H36 | 118.1° | 119.6° |
| C28 | C27 | H36 | 118.2° | 119.6° |
| C27 | C28 | H37 | 120.2° | 120.4° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 110.3° |
| H12 | C9 | H11 | 109.5° | 109.5° |
| H65 | N1 | H9 | 109.5° | 111.0° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.4° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H24 | C17 | H23 | 109.5° | 109.5° |
| H26 | C18 | H25 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 110.7° |
| H32 | C23 | H33 | 109.5° | 109.5° |
| H40 | C30 | H39 | 109.5° | 109.5° |
| H42 | C31 | H41 | 109.5° | 109.5° |
| H43 | C32 | H44 | 109.5° | 109.5° |
| H45 | C33 | H46 | 109.5° | 109.5° |
| H47 | C34 | H48 | 109.4° | 109.5° |
| H49 | C35 | H50 | 109.5° | 109.4° |
| H51 | C36 | H52 | 109.5° | 109.4° |
| H53 | C37 | H54 | 109.4° | 109.4° |
| H56 | C38 | H55 | 109.5° | 109.5° |
| H58 | C39 | H57 | 109.5° | 109.5° |
| H60 | C40 | H59 | 109.5° | 109.5° |
| H62 | C41 | H61 | 109.5° | 109.5° |
| H64 | C42 | H63 | 109.5° | 109.5° |
| H66 | C43 | H67 | 109.5° | 109.4° |
| H66 | C43 | CL1 | 106.6° | 109.4° |
| H67 | C43 | CL1 | 106.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 18.6° | 0.0° |
| C1 | O1 | C2 | C7 | 161.4° | 179.5° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| O1 | C2 | C3 | C7 | 180.0° | 179.5° |
| O1 | C2 | C3 | C4 | 179.8° | 180.0° |
| O1 | C2 | C7 | C8 | 0.2° | 0.2° |
| O1 | C2 | C7 | C6 | 179.9° | 179.7° |
| O1 | C2 | C3 | H4 | 0.2° | 0.5° |
| C2 | O1 | C1 | H2 | 180.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| C2 | O1 | C1 | H1 | 60.0° | 60.0° |
| O2 | C10 | N2 | C11 | 60.1° | 179.9° |
| O2 | C10 | N2 | C9 | 179.8° | 180.0° |
| O2 | C10 | N2 | C20 | 120.7° | 0.0° |
| O2 | C10 | C9 | C8 | 55.8° | 0.0° |
| O2 | C10 | C9 | H12 | 176.5° | 120.0° |
| O2 | C10 | C9 | H11 | 64.9° | 120.0° |
| C2 | C3 | C4 | H4 | 180.0° | 179.5° |
| C3 | C2 | C7 | C8 | 179.8° | 179.7° |
| C3 | C2 | C7 | C6 | 0.1° | 0.3° |
| C2 | C3 | C4 | C5 | 0.2° | 0.5° |
| C2 | C3 | C4 | H5 | 179.8° | 179.7° |
| C7 | C2 | C3 | C4 | 0.2° | 0.5° |
| C2 | C7 | C8 | C6 | 179.7° | 180.0° |
| C2 | C7 | C8 | C9 | 95.3° | 80.0° |
| C2 | C7 | C8 | N1 | 137.7° | 160.0° |
| C2 | C7 | C6 | C5 | 0.0° | 0.0° |
| C2 | C7 | C6 | H7 | 180.0° | 179.9° |
| C2 | C7 | C8 | H8 | 20.2° | 40.0° |
| C7 | C2 | C3 | H4 | 179.8° | 180.0° |
| C3 | C4 | C5 | H5 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.1° | 0.2° |
| C3 | C4 | C5 | H6 | 179.9° | 179.7° |
| N2 | C11 | C12 | H13 | 119.1° | 118.9° |
| N2 | C11 | C12 | H14 | 119.1° | 118.9° |
| C11 | N2 | C10 | C20 | 179.2° | 179.9° |
| C11 | N2 | C10 | C9 | 120.0° | 0.1° |
| N2 | C11 | C12 | C13 | 104.0° | 155.1° |
| N2 | C11 | C12 | C19 | 25.5° | 37.0° |
| C11 | N2 | C20 | C21 | 124.9° | 120.5° |
| C11 | N2 | C20 | C19 | 4.5° | 1.1° |
| N2 | C11 | H13 | H14 | 122.6° | 122.3° |
| N2 | C11 | C12 | H15 | 137.3° | 81.1° |
| C11 | N2 | C20 | H29 | 112.6° | 118.3° |
| C12 | C11 | N2 | C10 | 165.8° | 155.9° |
| C12 | C11 | N2 | C20 | 13.4° | 24.2° |
| C11 | C12 | C13 | C19 | 124.2° | 112.1° |
| C11 | C12 | C13 | H15 | 118.6° | 123.9° |
| C11 | C12 | C19 | H15 | 111.9° | 118.1° |
| C11 | C12 | C13 | C14 | 29.3° | 178.5° |
| C11 | C12 | C13 | C18 | 154.0° | 61.5° |
| C11 | C12 | C19 | C20 | 28.9° | 35.5° |
| C12 | C11 | H13 | H14 | 122.6° | 122.3° |
| C11 | C12 | C13 | H16 | 88.5° | 58.5° |
| C11 | C12 | C19 | H27 | 148.3° | 82.9° |
| C11 | C12 | C19 | H28 | 90.5° | 153.9° |
| O5 | C32 | C33 | H43 | 119.9° | 120.0° |
| O5 | C32 | C33 | H44 | 119.9° | 120.0° |
| O5 | C32 | C33 | O6 | 160.2° | 65.0° |
| C32 | O5 | C31 | C30 | 154.9° | 180.0° |
| C32 | O5 | C31 | H42 | 39.0° | 60.0° |
| C32 | O5 | C31 | H41 | 89.2° | 60.0° |
| O5 | C32 | H43 | H44 | 120.4° | 120.0° |
| O5 | C32 | C33 | H45 | 79.7° | 175.0° |
| O5 | C32 | C33 | H46 | 40.1° | 55.0° |
| C33 | C32 | O5 | C31 | 47.1° | 180.0° |
| C32 | C33 | O6 | H45 | 120.1° | 120.0° |
| C32 | C33 | O6 | H46 | 120.1° | 120.0° |
| C32 | C33 | O6 | C34 | 160.0° | 180.0° |
| C33 | C32 | H43 | H44 | 120.3° | 119.9° |
| C32 | C33 | H45 | H46 | 119.6° | 120.0° |
| N2 | C10 | C9 | C8 | 124.4° | 180.0° |
| C10 | N2 | C20 | C21 | 55.8° | 59.6° |
| C10 | N2 | C20 | C19 | 176.2° | 179.0° |
| C10 | N2 | C11 | H13 | 46.7° | 37.1° |
| C10 | N2 | C11 | H14 | 75.1° | 85.2° |
| N2 | C10 | C9 | H12 | 3.7° | 60.0° |
| N2 | C10 | C9 | H11 | 115.0° | 59.9° |
| C10 | N2 | C20 | H29 | 66.7° | 61.6° |
| C9 | C10 | N2 | C20 | 59.2° | 180.0° |
| C10 | C9 | C8 | C7 | 81.9° | 175.0° |
| C10 | C9 | C8 | H12 | 120.7° | 120.0° |
| C10 | C9 | C8 | H11 | 120.7° | 120.0° |
| C10 | C9 | C8 | N1 | 150.1° | 64.9° |
| C10 | C9 | C8 | H8 | 33.8° | 55.0° |
| C10 | C9 | H12 | H11 | 117.9° | 119.9° |
| O5 | C31 | C30 | H42 | 115.9° | 120.0° |
| O5 | C31 | C30 | H41 | 115.8° | 120.0° |
| O5 | C31 | C30 | N5 | 126.3° | 65.0° |
| O5 | C31 | C30 | H40 | 113.2° | 55.0° |
| O5 | C31 | C30 | H39 | 6.0° | 175.0° |
| O5 | C31 | H42 | H41 | 130.9° | 120.0° |
| C31 | O5 | C32 | H43 | 167.0° | 60.0° |
| C31 | O5 | C32 | H44 | 72.7° | 60.0° |
| N2 | C20 | C21 | O3 | 32.3° | 18.5° |
| N2 | C20 | C19 | C12 | 20.6° | 22.2° |
| N2 | C20 | C21 | C19 | 116.2° | 117.7° |
| N2 | C20 | C21 | H29 | 123.0° | 121.1° |
| N2 | C20 | C21 | N3 | 150.2° | 161.4° |
| N2 | C20 | C19 | H29 | 117.7° | 119.4° |
| C20 | N2 | C11 | H13 | 132.5° | 143.0° |
| C20 | N2 | C11 | H14 | 105.7° | 94.7° |
| N2 | C20 | C19 | H27 | 140.0° | 96.2° |
| N2 | C20 | C19 | H28 | 98.8° | 140.6° |
| C7 | C8 | C9 | N1 | 128.0° | 120.0° |
| C7 | C8 | C9 | H8 | 115.7° | 120.0° |
| C7 | C8 | N1 | H8 | 117.1° | 120.0° |
| C8 | C7 | C6 | C5 | 179.7° | 180.0° |
| C8 | C7 | C6 | H7 | 0.3° | 0.1° |
| C7 | C8 | C9 | H12 | 38.7° | 65.0° |
| C7 | C8 | C9 | H11 | 157.4° | 55.0° |
| C7 | C8 | N1 | H65 | 180.0° | 63.9° |
| C7 | C8 | N1 | H9 | 60.0° | 60.0° |
| C9 | C8 | N1 | H8 | 115.8° | 120.0° |
| C9 | C8 | C7 | C6 | 85.0° | 100.0° |
| C8 | C9 | H12 | H11 | 117.9° | 120.0° |
| C9 | C8 | N1 | H65 | 52.9° | 176.0° |
| C9 | C8 | N1 | H9 | 173.0° | 60.0° |
| N1 | C8 | C7 | C6 | 42.0° | 20.0° |
| N1 | C8 | C9 | H12 | 89.2° | 55.0° |
| N1 | C8 | C9 | H11 | 29.4° | 175.0° |
| C8 | N1 | H65 | H9 | 120.0° | 123.9° |
| O3 | C21 | C20 | N3 | 177.6° | 179.9° |
| O3 | C21 | C20 | C19 | 84.0° | 99.3° |
| O3 | C21 | N3 | C22 | 80.4° | 0.1° |
| O3 | C21 | N3 | H30 | 99.6° | 180.0° |
| O3 | C21 | C20 | H29 | 155.3° | 139.6° |
| C7 | C6 | C5 | C4 | 0.0° | 0.0° |
| C7 | C6 | C5 | H7 | 180.0° | 179.9° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | C7 | C8 | H8 | 159.5° | 140.0° |
| C33 | O6 | C34 | C35 | 137.2° | 180.0° |
| O6 | C33 | C32 | H43 | 40.3° | 55.0° |
| O6 | C33 | C32 | H44 | 79.9° | 175.0° |
| O6 | C33 | H45 | H46 | 119.6° | 120.0° |
| C33 | O6 | C34 | H47 | 17.1° | 60.0° |
| C33 | O6 | C34 | H48 | 102.7° | 60.0° |
| O6 | C34 | C35 | H47 | 120.1° | 120.0° |
| O6 | C34 | C35 | H48 | 120.1° | 120.0° |
| O6 | C34 | C35 | O7 | 113.0° | 65.0° |
| C34 | O6 | C33 | H45 | 79.9° | 60.0° |
| C34 | O6 | C33 | H46 | 39.9° | 60.1° |
| O6 | C34 | H47 | H48 | 119.8° | 120.0° |
| O6 | C34 | C35 | H49 | 126.9° | 175.0° |
| O6 | C34 | C35 | H50 | 7.2° | 55.0° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C4 | C5 | C6 | H7 | 180.0° | 180.0° |
| C5 | C4 | C3 | H4 | 179.8° | 180.0° |
| C13 | C12 | C19 | H15 | 117.4° | 123.8° |
| C12 | C13 | C14 | C18 | 126.0° | 120.0° |
| C12 | C13 | C14 | H16 | 117.9° | 120.0° |
| C12 | C13 | C18 | H16 | 117.5° | 120.0° |
| C13 | C12 | C19 | C20 | 101.8° | 153.6° |
| C12 | C13 | C14 | C15 | 179.1° | 180.0° |
| C12 | C13 | C18 | C17 | 179.0° | 180.0° |
| C12 | C13 | C14 | H17 | 60.4° | 60.0° |
| C12 | C13 | C14 | H18 | 58.8° | 60.0° |
| C13 | C12 | C11 | H13 | 15.1° | 86.0° |
| C13 | C12 | C11 | H14 | 136.9° | 36.2° |
| C12 | C13 | C18 | H26 | 58.6° | 60.0° |
| C12 | C13 | C18 | H25 | 60.6° | 60.0° |
| C13 | C12 | C19 | H27 | 17.6° | 35.1° |
| C13 | C12 | C19 | H28 | 138.8° | 88.0° |
| C19 | C12 | C13 | C14 | 94.9° | 66.4° |
| C19 | C12 | C13 | C18 | 29.8° | 173.6° |
| C12 | C19 | C20 | C21 | 142.1° | 97.2° |
| C12 | C19 | C20 | H27 | 119.4° | 118.4° |
| C12 | C19 | C20 | H28 | 119.4° | 118.4° |
| C19 | C12 | C11 | H13 | 144.7° | 155.9° |
| C19 | C12 | C11 | H14 | 93.6° | 81.9° |
| C19 | C12 | C13 | H16 | 147.3° | 53.7° |
| C12 | C19 | H27 | H28 | 121.7° | 123.2° |
| C12 | C19 | C20 | H29 | 97.1° | 141.6° |
| O4 | C29 | N5 | C30 | 19.0° | 0.1° |
| O4 | C29 | N5 | C22 | 178.9° | 179.9° |
| O4 | C29 | C22 | N3 | 70.7° | 0.1° |
| O4 | C29 | C22 | C23 | 161.5° | 120.0° |
| O4 | C29 | C22 | H31 | 46.7° | 120.0° |
| O4 | C29 | N5 | H38 | 161.0° | 180.0° |
| C34 | C35 | O7 | H49 | 120.1° | 120.0° |
| C34 | C35 | O7 | H50 | 120.1° | 120.1° |
| C34 | C35 | O7 | C36 | 144.8° | 180.0° |
| C35 | C34 | H47 | H48 | 119.8° | 120.0° |
| C34 | C35 | H49 | H50 | 119.6° | 120.1° |
| C14 | C13 | C18 | H16 | 116.1° | 120.0° |
| C13 | C14 | C15 | H17 | 120.4° | 120.0° |
| C13 | C14 | C15 | H18 | 120.4° | 120.0° |
| C13 | C14 | C15 | C16 | 55.5° | 60.0° |
| C14 | C13 | C18 | C17 | 54.7° | 60.0° |
| C13 | C14 | H17 | H18 | 118.8° | 119.9° |
| C14 | C13 | C12 | H15 | 147.9° | 57.6° |
| C13 | C14 | C15 | H19 | 175.9° | 180.0° |
| C13 | C14 | C15 | H20 | 64.8° | 60.0° |
| C14 | C13 | C18 | H26 | 175.1° | 180.0° |
| C14 | C13 | C18 | H25 | 65.8° | 60.0° |
| C18 | C13 | C14 | C15 | 54.9° | 60.0° |
| C13 | C18 | C17 | H26 | 120.4° | 120.0° |
| C13 | C18 | C17 | H25 | 120.4° | 120.0° |
| C13 | C18 | C17 | C16 | 55.1° | 60.0° |
| C18 | C13 | C14 | H17 | 65.6° | 60.0° |
| C18 | C13 | C14 | H18 | 175.2° | 180.0° |
| C18 | C13 | C12 | H15 | 87.4° | 62.4° |
| C13 | C18 | C17 | H24 | 65.2° | 180.0° |
| C13 | C18 | C17 | H23 | 175.5° | 60.0° |
| C13 | C18 | H26 | H25 | 118.7° | 120.0° |
| C31 | C30 | N5 | H40 | 120.4° | 120.0° |
| C31 | C30 | N5 | H39 | 120.4° | 120.0° |
| C31 | C30 | N5 | C29 | 89.3° | 180.0° |
| C31 | C30 | N5 | H38 | 90.7° | 0.0° |
| C31 | C30 | H40 | H39 | 118.8° | 120.0° |
| C30 | C31 | H42 | H41 | 130.9° | 120.0° |
| C21 | C20 | C19 | H29 | 120.7° | 121.2° |
| C20 | C21 | N3 | C22 | 102.1° | 180.0° |
| C20 | C21 | N3 | H30 | 77.9° | 0.1° |
| C21 | C20 | C19 | H27 | 98.4° | 144.4° |
| C21 | C20 | C19 | H28 | 22.7° | 21.2° |
| N3 | C21 | C20 | C19 | 93.6° | 80.8° |
| C21 | N3 | C22 | C29 | 6.8° | 155.1° |
| C21 | N3 | C22 | H30 | 180.0° | 180.0° |
| C21 | N3 | C22 | C23 | 120.6° | 85.0° |
| N3 | C21 | C20 | H29 | 27.1° | 40.3° |
| C21 | N3 | C22 | H31 | 123.8° | 35.1° |
| C30 | N5 | C29 | H38 | 180.0° | 179.9° |
| C30 | N5 | C29 | C22 | 162.1° | 180.0° |
| N5 | C30 | H40 | H39 | 118.7° | 120.0° |
| N5 | C30 | C31 | H42 | 10.5° | 175.0° |
| N5 | C30 | C31 | H41 | 117.8° | 55.0° |
| C20 | C19 | C12 | H15 | 140.8° | 82.6° |
| C20 | C19 | H27 | H28 | 121.7° | 123.2° |
| C14 | C15 | C16 | H19 | 120.3° | 120.0° |
| C14 | C15 | C16 | H20 | 120.3° | 119.9° |
| C14 | C15 | C16 | C17 | 54.5° | 60.0° |
| C15 | C14 | H17 | H18 | 118.8° | 120.1° |
| C15 | C14 | C13 | H16 | 61.3° | 60.0° |
| C14 | C15 | H19 | H20 | 119.0° | 119.9° |
| C14 | C15 | C16 | H21 | 65.7° | 60.0° |
| C14 | C15 | C16 | H22 | 174.8° | 180.0° |
| C6 | C5 | C4 | H5 | 179.9° | 180.0° |
| C35 | O7 | C36 | C37 | 110.2° | 180.0° |
| O7 | C35 | C34 | H47 | 7.1° | 55.0° |
| O7 | C35 | C34 | H48 | 127.0° | 175.0° |
| O7 | C35 | H49 | H50 | 119.7° | 119.9° |
| C35 | O7 | C36 | H51 | 10.2° | 60.0° |
| C35 | O7 | C36 | H52 | 129.5° | 59.9° |
| N5 | C29 | C22 | N3 | 110.4° | 179.9° |
| N5 | C29 | C22 | C23 | 17.4° | 60.1° |
| N5 | C29 | C22 | H31 | 132.2° | 59.9° |
| C29 | N5 | C30 | H40 | 150.3° | 60.1° |
| C29 | N5 | C30 | H39 | 31.1° | 60.0° |
| C29 | C22 | N3 | C23 | 127.4° | 119.9° |
| C29 | C22 | N3 | H31 | 116.9° | 120.0° |
| C29 | C22 | C23 | H31 | 114.8° | 119.9° |
| C29 | C22 | C23 | C24 | 97.6° | 175.0° |
| C29 | C22 | N3 | H30 | 173.2° | 24.9° |
| C29 | C22 | C23 | H32 | 141.6° | 55.0° |
| C29 | C22 | C23 | H33 | 23.2° | 65.0° |
| C22 | C29 | N5 | H38 | 17.9° | 0.1° |
| C15 | C16 | C17 | C18 | 54.3° | 60.0° |
| C15 | C16 | C17 | H21 | 120.3° | 120.0° |
| C15 | C16 | C17 | H22 | 120.3° | 120.0° |
| C16 | C15 | C14 | H17 | 64.8° | 60.0° |
| C16 | C15 | C14 | H18 | 175.9° | 180.0° |
| C16 | C15 | H19 | H20 | 119.0° | 120.1° |
| C15 | C16 | H21 | H22 | 119.2° | 120.0° |
| C15 | C16 | C17 | H24 | 66.0° | 180.0° |
| C15 | C16 | C17 | H23 | 174.6° | 60.0° |
| C43 | C42 | C41 | H64 | 120.6° | 119.9° |
| C43 | C42 | C41 | H63 | 120.6° | 120.1° |
| C43 | C42 | C41 | C40 | 169.8° | 180.0° |
| C43 | C42 | C41 | H62 | 48.9° | 60.1° |
| C43 | C42 | C41 | H61 | 69.2° | 60.0° |
| C43 | C42 | H64 | H63 | 118.1° | 120.0° |
| C42 | C43 | H66 | H67 | 114.9° | 120.0° |
| C42 | C43 | H66 | CL1 | 130.2° | 120.0° |
| C42 | C43 | H67 | CL1 | 130.2° | 120.1° |
| N3 | C22 | C23 | H31 | 116.2° | 120.1° |
| N3 | C22 | C23 | C24 | 31.4° | 65.0° |
| N3 | C22 | C23 | H32 | 89.4° | 175.0° |
| N3 | C22 | C23 | H33 | 152.2° | 55.0° |
| C42 | C41 | C40 | H62 | 120.9° | 119.9° |
| C42 | C41 | C40 | H61 | 120.9° | 120.0° |
| C42 | C41 | C40 | C39 | 171.8° | 180.0° |
| C42 | C41 | C40 | H60 | 51.2° | 60.1° |
| C42 | C41 | C40 | H59 | 67.6° | 60.0° |
| C42 | C41 | H62 | H61 | 117.1° | 120.0° |
| C41 | C42 | H64 | H63 | 118.1° | 120.0° |
| C41 | C42 | C43 | H66 | 127.0° | 60.1° |
| C41 | C42 | C43 | H67 | 10.1° | 59.9° |
| C41 | C42 | C43 | CL1 | 111.5° | 180.0° |
| C18 | C17 | C16 | H24 | 120.3° | 120.0° |
| C18 | C17 | C16 | H23 | 120.3° | 120.0° |
| C17 | C18 | C13 | H16 | 61.4° | 60.0° |
| C18 | C17 | C16 | H21 | 66.0° | 60.0° |
| C18 | C17 | C16 | H22 | 174.5° | 180.0° |
| C18 | C17 | H24 | H23 | 119.0° | 120.0° |
| C17 | C18 | H26 | H25 | 118.7° | 120.0° |
| C41 | C40 | C39 | H60 | 120.6° | 120.0° |
| C41 | C40 | C39 | H59 | 120.6° | 120.0° |
| C41 | C40 | C39 | C38 | 168.0° | 180.0° |
| C41 | C40 | C39 | H58 | 47.1° | 60.0° |
| C41 | C40 | C39 | H57 | 71.2° | 60.0° |
| C41 | C40 | H60 | H59 | 118.1° | 120.0° |
| C40 | C41 | H62 | H61 | 117.1° | 120.0° |
| C40 | C41 | C42 | H64 | 69.6° | 60.1° |
| C40 | C41 | C42 | H63 | 49.2° | 59.9° |
| O7 | C36 | C37 | H51 | 120.3° | 120.0° |
| O7 | C36 | C37 | H52 | 120.3° | 120.0° |
| O7 | C36 | C37 | O8 | 143.3° | 65.0° |
| C36 | O7 | C35 | H49 | 95.1° | 60.0° |
| C36 | O7 | C35 | H50 | 24.7° | 59.9° |
| O7 | C36 | H51 | H52 | 119.1° | 119.9° |
| O7 | C36 | C37 | H53 | 96.4° | 175.0° |
| O7 | C36 | C37 | H54 | 22.9° | 55.0° |
| C22 | C23 | C24 | C25 | 92.1° | 89.7° |
| C22 | C23 | C24 | H32 | 120.8° | 120.0° |
| C22 | C23 | C24 | H33 | 120.8° | 120.0° |
| C22 | C23 | C24 | C28 | 88.8° | 90.0° |
| C23 | C22 | N3 | H30 | 59.4° | 95.0° |
| C22 | C23 | H32 | H33 | 117.5° | 120.0° |
| C17 | C16 | C15 | H19 | 174.8° | 180.0° |
| C17 | C16 | C15 | H20 | 65.8° | 60.0° |
| C17 | C16 | H21 | H22 | 119.2° | 120.0° |
| C16 | C17 | H24 | H23 | 119.0° | 119.9° |
| C16 | C17 | C18 | H26 | 175.6° | 180.0° |
| C16 | C17 | C18 | H25 | 65.3° | 60.0° |
| C36 | C37 | O8 | H53 | 120.3° | 120.1° |
| C36 | C37 | O8 | H54 | 120.3° | 120.0° |
| C36 | C37 | O8 | C38 | 64.4° | 180.0° |
| C37 | C36 | H51 | H52 | 119.1° | 120.0° |
| C36 | C37 | H53 | H54 | 119.1° | 120.0° |
| C40 | C39 | C38 | H58 | 120.8° | 120.0° |
| C40 | C39 | C38 | H57 | 120.8° | 120.0° |
| C40 | C39 | C38 | O8 | 55.0° | 180.0° |
| C40 | C39 | C38 | H56 | 65.0° | 60.0° |
| C40 | C39 | C38 | H55 | 175.0° | 60.0° |
| C40 | C39 | H58 | H57 | 117.4° | 120.0° |
| C39 | C40 | H60 | H59 | 118.2° | 120.0° |
| C39 | C40 | C41 | H62 | 67.3° | 60.1° |
| C39 | C40 | C41 | H61 | 50.9° | 60.0° |
| C39 | C38 | O8 | C37 | 157.2° | 180.0° |
| C39 | C38 | O8 | H56 | 120.0° | 120.0° |
| C39 | C38 | O8 | H55 | 120.0° | 120.0° |
| C39 | C38 | H56 | H55 | 120.0° | 120.0° |
| C38 | C39 | H58 | H57 | 117.5° | 120.0° |
| C38 | C39 | C40 | H60 | 71.5° | 60.0° |
| C38 | C39 | C40 | H59 | 47.3° | 60.0° |
| O8 | C37 | C36 | H51 | 23.0° | 55.1° |
| O8 | C37 | C36 | H52 | 96.4° | 175.0° |
| O8 | C37 | H53 | H54 | 119.1° | 120.0° |
| C37 | O8 | C38 | H56 | 82.8° | 60.0° |
| C37 | O8 | C38 | H55 | 37.2° | 60.0° |
| C38 | O8 | C37 | H53 | 55.9° | 60.0° |
| C38 | O8 | C37 | H54 | 175.2° | 60.0° |
| O8 | C38 | H56 | H55 | 120.0° | 120.0° |
| O8 | C38 | C39 | H58 | 175.8° | 60.0° |
| O8 | C38 | C39 | H57 | 65.8° | 60.1° |
| C26 | C25 | C24 | H34 | 180.0° | 180.0° |
| C25 | C26 | N4 | H35 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 179.8° | 180.0° |
| C26 | C25 | C24 | C28 | 1.1° | 0.3° |
| C25 | C26 | N4 | C27 | 0.5° | 0.0° |
| C24 | C25 | C26 | N4 | 0.9° | 0.0° |
| C25 | C24 | C23 | C28 | 179.0° | 179.7° |
| C25 | C24 | C28 | C27 | 0.9° | 0.5° |
| C25 | C24 | C23 | H32 | 147.0° | 150.3° |
| C25 | C24 | C23 | H33 | 28.7° | 30.3° |
| C24 | C25 | C26 | H35 | 179.1° | 180.0° |
| C25 | C24 | C28 | H37 | 179.1° | 179.6° |
| C26 | N4 | C27 | C28 | 0.4° | 0.3° |
| N4 | C26 | C25 | H34 | 179.1° | 180.0° |
| C26 | N4 | C27 | H36 | 179.6° | 180.0° |
| C23 | C24 | C28 | C27 | 180.0° | 179.7° |
| C24 | C23 | C22 | H31 | 147.6° | 55.1° |
| C24 | C23 | H32 | H33 | 117.5° | 120.0° |
| C23 | C24 | C25 | H34 | 0.1° | 0.0° |
| C23 | C24 | C28 | H37 | 0.0° | 0.1° |
| C24 | C28 | C27 | N4 | 0.6° | 0.6° |
| C24 | C28 | C27 | H37 | 180.0° | 179.8° |
| C28 | C24 | C23 | H32 | 32.0° | 30.0° |
| C28 | C24 | C23 | H33 | 150.3° | 150.0° |
| C28 | C24 | C25 | H34 | 178.9° | 179.8° |
| C24 | C28 | C27 | H36 | 179.4° | 179.7° |
| N4 | C27 | C28 | H36 | 180.0° | 179.7° |
| C27 | N4 | C26 | H35 | 179.5° | 180.0° |
| N4 | C27 | C28 | H37 | 179.4° | 179.6° |
| H5 | C4 | C5 | H6 | 0.1° | 0.1° |
| H5 | C4 | C3 | H4 | 0.2° | 0.2° |
| H17 | C14 | C13 | H16 | 178.3° | 180.0° |
| H17 | C14 | C15 | H19 | 55.5° | 60.0° |
| H17 | C14 | C15 | H20 | 174.8° | 180.0° |
| H18 | C14 | C13 | H16 | 59.1° | 60.1° |
| H18 | C14 | C15 | H19 | 63.7° | 60.0° |
| H18 | C14 | C15 | H20 | 55.6° | 60.0° |
| H6 | C5 | C6 | H7 | 0.0° | 0.1° |
| H13 | C11 | C12 | H15 | 103.5° | 37.8° |
| H14 | C11 | C12 | H15 | 18.2° | 160.0° |
| H8 | C8 | C9 | H12 | 154.5° | 175.0° |
| H8 | C8 | C9 | H11 | 86.9° | 65.0° |
| H8 | C8 | N1 | H65 | 62.9° | 56.0° |
| H8 | C8 | N1 | H9 | 57.1° | 180.0° |
| H15 | C12 | C13 | H16 | 30.1° | 177.6° |
| H15 | C12 | C19 | H27 | 99.8° | 159.0° |
| H15 | C12 | C19 | H28 | 21.4° | 35.8° |
| H16 | C13 | C18 | H26 | 59.0° | 59.9° |
| H16 | C13 | C18 | H25 | 178.1° | 180.0° |
| H30 | N3 | C22 | H31 | 56.3° | 145.0° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H19 | C15 | C16 | H21 | 54.6° | 60.0° |
| H19 | C15 | C16 | H22 | 64.9° | 60.1° |
| H20 | C15 | C16 | H21 | 173.9° | 179.9° |
| H20 | C15 | C16 | H22 | 54.4° | 60.0° |
| H21 | C16 | C17 | H24 | 173.7° | 60.1° |
| H21 | C16 | C17 | H23 | 54.3° | NaN° |
| H22 | C16 | C17 | H24 | 54.2° | 60.0° |
| H22 | C16 | C17 | H23 | 65.1° | 60.0° |
| H24 | C17 | C18 | H26 | 55.2° | 60.0° |
| H24 | C17 | C18 | H25 | 174.4° | 60.0° |
| H23 | C17 | C18 | H26 | 64.1° | 60.0° |
| H23 | C17 | C18 | H25 | 55.0° | 180.0° |
| H27 | C19 | C20 | H29 | 22.3° | 23.2° |
| H28 | C19 | C20 | H29 | 143.5° | 100.0° |
| H31 | C22 | C23 | H32 | 26.8° | 64.9° |
| H31 | C22 | C23 | H33 | 91.6° | 175.1° |
| H34 | C25 | C26 | H35 | 0.9° | 0.0° |
| H36 | C27 | C28 | H37 | 0.6° | 0.1° |
| H38 | N5 | C30 | H40 | 29.7° | 120.0° |
| H38 | N5 | C30 | H39 | 148.9° | 120.0° |
| H40 | C30 | C31 | H42 | 130.9° | 65.0° |
| H40 | C30 | C31 | H41 | 2.6° | 175.0° |
| H39 | C30 | C31 | H42 | 109.9° | 55.0° |
| H39 | C30 | C31 | H41 | 121.8° | 65.0° |
| H43 | C32 | C33 | H45 | 160.4° | 65.0° |
| H43 | C32 | C33 | H46 | 79.8° | 175.0° |
| H44 | C32 | C33 | H45 | 40.2° | 55.0° |
| H44 | C32 | C33 | H46 | 159.9° | 65.0° |
| H47 | C34 | C35 | H49 | 113.0° | 65.0° |
| H47 | C34 | C35 | H50 | 127.3° | 175.0° |
| H48 | C34 | C35 | H49 | 6.9° | 55.0° |
| H48 | C34 | C35 | H50 | 112.9° | 65.0° |
| H51 | C36 | C37 | H53 | 143.3° | 65.0° |
| H51 | C36 | C37 | H54 | 97.3° | 175.0° |
| H52 | C36 | C37 | H53 | 23.9° | 54.9° |
| H52 | C36 | C37 | H54 | 143.2° | 65.0° |
| H56 | C38 | C39 | H58 | 55.8° | 180.0° |
| H56 | C38 | C39 | H57 | 174.2° | 60.0° |
| H55 | C38 | C39 | H58 | 64.2° | 60.0° |
| H55 | C38 | C39 | H57 | 54.2° | 180.0° |
| H58 | C39 | C40 | H60 | 167.7° | 180.0° |
| H58 | C39 | C40 | H59 | 73.5° | 60.0° |
| H57 | C39 | C40 | H60 | 49.4° | 60.0° |
| H57 | C39 | C40 | H59 | 168.2° | 180.0° |
| H60 | C40 | C41 | H62 | 172.1° | 180.0° |
| H60 | C40 | C41 | H61 | 69.7° | 60.0° |
| H59 | C40 | C41 | H62 | 53.3° | 60.0° |
| H59 | C40 | C41 | H61 | 171.5° | 180.0° |
| H62 | C41 | C42 | H64 | 169.5° | 180.0° |
| H62 | C41 | C42 | H63 | 71.7° | 60.0° |
| H61 | C41 | C42 | H64 | 51.3° | 59.9° |
| H61 | C41 | C42 | H63 | 170.1° | 179.9° |
| H64 | C42 | C43 | H66 | 6.4° | 180.0° |
| H64 | C42 | C43 | H67 | 110.5° | 60.0° |
| H64 | C42 | C43 | CL1 | 127.9° | 60.0° |
| H63 | C42 | C43 | H66 | 112.4° | 60.0° |
| H63 | C42 | C43 | H67 | 130.7° | 180.0° |
| H63 | C42 | C43 | CL1 | 9.2° | 59.9° |
| H66 | C43 | H67 | CL1 | 114.9° | 119.9° |
