A1DEZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C43 | doub | 1.21Å | 1.24Å | |
| C43 | N7 | sing | 1.35Å | 1.33Å | |
| C43 | C44 | sing | 1.51Å | 1.52Å | |
| C17 | N7 | sing | 1.46Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| N5 | C16 | sing | 1.35Å | 1.34Å | |
| N5 | C14 | sing | 1.47Å | 1.45Å | |
| C16 | O4 | doub | 1.21Å | 1.24Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| O5 | C22 | doub | 1.22Å | 1.23Å | |
| N6 | C22 | sing | 1.35Å | 1.34Å | |
| N6 | C21 | sing | 1.47Å | 1.46Å | |
| C22 | C23 | sing | 1.48Å | 1.51Å | |
| N2 | C8 | sing | 1.47Å | 1.47Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C13 | O3 | doub | 1.21Å | 1.24Å | |
| C13 | N4 | sing | 1.35Å | 1.34Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| N4 | C12 | sing | 1.46Å | 1.45Å | |
| C23 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| O6 | C29 | doub | 1.21Å | 1.26Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C29 | C27 | sing | 1.48Å | 1.50Å | |
| C29 | O7 | sing | 1.35Å | 1.25Å | |
| C27 | C26 | doub | 1.41Å | 1.41Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C45 | sing | 1.51Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| O12 | C45 | doub | 1.21Å | 1.23Å | |
| C45 | N8 | sing | 1.35Å | 1.33Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| O2 | C9 | doub | 1.21Å | 1.24Å | |
| C25 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C30 | sing | 1.47Å | 1.50Å | |
| C9 | N3 | sing | 1.35Å | 1.34Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| N3 | C4 | sing | 1.47Å | 1.45Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C30 | C38 | sing | 1.46Å | 1.42Å | |
| C30 | C31 | doub | 1.41Å | 1.41Å | |
| C39 | C38 | sing | 1.40Å | 1.41Å | Aromatic |
| C39 | C40 | doub | 1.36Å | 1.36Å | Aromatic |
| C32 | C31 | sing | 1.41Å | 1.44Å | |
| C32 | C33 | doub | 1.36Å | 1.34Å | |
| C38 | C37 | doub | 1.41Å | 1.41Å | Aromatic |
| C40 | C41 | sing | 1.40Å | 1.40Å | Aromatic |
| C31 | C36 | sing | 1.42Å | 1.45Å | |
| C33 | C34 | sing | 1.41Å | 1.47Å | |
| C3 | N1 | sing | 1.35Å | 1.34Å | |
| C3 | O1 | doub | 1.21Å | 1.24Å | |
| N1 | C2 | sing | 1.47Å | 1.45Å | |
| C37 | C42 | sing | 1.39Å | 1.38Å | Aromatic |
| C37 | O9 | sing | 1.35Å | 1.37Å | |
| C41 | O10 | sing | 1.36Å | 1.35Å | |
| C41 | C42 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | O9 | sing | 1.35Å | 1.37Å | |
| C36 | C35 | doub | 1.38Å | 1.36Å | |
| C34 | C35 | sing | 1.40Å | 1.44Å | |
| C34 | O8 | doub | 1.23Å | 1.24Å | |
| O13 | C46 | doub | 1.21Å | 1.21Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C46 | sing | 1.51Å | 1.53Å | |
| C46 | C47 | sing | 1.51Å | 1.49Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H23 | sing | 1.08Å | 1.08Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C2 | H27 | sing | 1.09Å | 1.10Å | |
| N2 | H28 | sing | 1.01Å | 1.00Å | |
| N2 | H29 | sing | 1.01Å | 1.00Å | |
| C11 | H31 | sing | 1.09Å | 1.10Å | |
| C11 | H32 | sing | 1.09Å | 1.10Å | |
| C12 | H33 | sing | 1.09Å | 1.10Å | |
| N4 | H34 | sing | 0.97Å | 1.00Å | |
| C14 | H35 | sing | 1.09Å | 1.10Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C18 | H38 | sing | 1.09Å | 1.10Å | |
| C19 | H39 | sing | 1.09Å | 1.10Å | |
| C19 | H40 | sing | 1.09Å | 1.10Å | |
| N6 | H41 | sing | 0.97Å | 1.00Å | |
| C25 | H42 | sing | 1.08Å | 1.08Å | |
| O7 | H43 | sing | 0.97Å | 0.95Å | |
| C32 | H44 | sing | 1.08Å | 1.08Å | |
| C33 | H45 | sing | 1.08Å | 1.08Å | |
| C35 | H46 | sing | 1.08Å | 1.08Å | |
| C39 | H48 | sing | 1.08Å | 1.08Å | |
| C40 | H49 | sing | 1.08Å | 1.08Å | |
| O10 | H50 | sing | 0.97Å | 0.95Å | |
| C42 | H51 | sing | 1.08Å | 1.08Å | |
| N7 | H52 | sing | 0.97Å | 1.00Å | |
| C44 | H53 | sing | 1.09Å | 1.10Å | |
| C44 | H54 | sing | 1.09Å | 1.10Å | |
| C44 | H55 | sing | 1.09Å | 1.10Å | |
| N8 | H56 | sing | 0.97Å | 1.00Å | |
| N8 | H57 | sing | 0.97Å | 1.00Å | |
| C47 | H58 | sing | 1.09Å | 1.10Å | |
| C47 | H59 | sing | 1.09Å | 1.10Å | |
| C47 | H60 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C43 | N7 | 122.2° | 120.0° |
| O11 | C43 | C44 | 121.5° | 120.0° |
| N7 | C43 | C44 | 116.3° | 120.0° |
| C43 | N7 | C17 | 124.4° | 120.0° |
| C43 | N7 | H52 | 117.8° | 120.0° |
| C43 | C44 | H53 | 109.5° | 109.5° |
| C43 | C44 | H54 | 109.5° | 109.4° |
| C43 | C44 | H55 | 109.4° | 109.5° |
| N7 | C17 | C18 | 112.7° | 109.5° |
| N7 | C17 | C16 | 109.6° | 109.5° |
| N7 | C17 | H17 | 108.5° | 109.5° |
| C17 | N7 | H52 | 117.8° | 120.0° |
| C18 | C17 | C16 | 111.0° | 109.5° |
| C17 | C18 | C19 | 117.9° | 109.4° |
| C18 | C17 | H17 | 107.4° | 109.5° |
| C17 | C18 | H37 | 107.3° | 109.5° |
| C17 | C18 | H38 | 107.3° | 109.5° |
| C17 | C16 | N5 | 116.5° | 120.0° |
| C17 | C16 | O4 | 120.7° | 120.0° |
| C16 | C17 | H17 | 107.5° | 109.5° |
| C18 | C19 | C20 | 118.4° | 109.5° |
| C19 | C18 | H37 | 107.3° | 109.5° |
| C19 | C18 | H38 | 107.3° | 109.4° |
| C18 | C19 | H39 | 107.2° | 109.5° |
| C18 | C19 | H40 | 107.2° | 109.5° |
| C16 | N5 | C14 | 121.5° | 120.0° |
| N5 | C16 | O4 | 122.8° | 120.0° |
| C16 | N5 | H36 | 119.2° | 120.1° |
| N5 | C14 | C15 | 110.6° | 109.4° |
| N5 | C14 | C13 | 109.4° | 109.5° |
| N5 | C14 | H35 | 109.6° | 109.4° |
| C14 | N5 | H36 | 119.2° | 120.0° |
| C15 | C14 | C13 | 110.1° | 109.5° |
| C14 | C15 | H14 | 109.5° | 109.4° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H16 | 109.5° | 109.5° |
| C15 | C14 | H35 | 108.6° | 109.5° |
| C14 | C13 | O3 | 120.1° | 120.0° |
| C14 | C13 | N4 | 116.8° | 120.0° |
| C13 | C14 | H35 | 108.6° | 109.5° |
| C19 | C20 | C21 | 116.3° | 109.5° |
| C19 | C20 | H18 | 107.7° | 109.5° |
| C19 | C20 | H19 | 107.7° | 109.5° |
| C20 | C19 | H39 | 107.2° | 109.4° |
| C20 | C19 | H40 | 107.2° | 109.4° |
| O5 | C22 | N6 | 119.6° | 120.1° |
| O5 | C22 | C23 | 119.1° | 120.0° |
| C22 | N6 | C21 | 128.5° | 119.9° |
| N6 | C22 | C23 | 121.3° | 119.9° |
| C22 | N6 | H41 | 115.7° | 120.1° |
| N6 | C21 | C20 | 112.8° | 109.4° |
| N6 | C21 | H20 | 108.7° | 109.4° |
| N6 | C21 | H21 | 108.7° | 109.5° |
| C21 | N6 | H41 | 115.8° | 120.0° |
| C22 | C23 | C28 | 113.2° | 119.9° |
| C22 | C23 | C24 | 128.2° | 119.9° |
| N2 | C8 | C7 | 114.0° | 109.5° |
| N2 | C8 | H10 | 108.3° | 109.5° |
| N2 | C8 | H11 | 108.3° | 109.5° |
| C8 | N2 | H28 | 109.5° | 111.0° |
| C8 | N2 | H29 | 109.5° | 111.0° |
| C21 | C20 | H18 | 107.7° | 109.5° |
| C21 | C20 | H19 | 107.8° | 109.5° |
| C20 | C21 | H20 | 108.6° | 109.5° |
| C20 | C21 | H21 | 108.6° | 109.5° |
| O3 | C13 | N4 | 123.1° | 120.0° |
| C13 | N4 | C12 | 122.1° | 120.0° |
| C13 | N4 | H34 | 119.0° | 120.0° |
| C8 | C7 | C6 | 113.5° | 109.5° |
| C8 | C7 | H8 | 108.5° | 109.5° |
| C8 | C7 | H9 | 108.5° | 109.5° |
| C7 | C8 | H10 | 108.3° | 109.5° |
| C7 | C8 | H11 | 108.3° | 109.5° |
| N4 | C12 | C45 | 111.6° | 109.5° |
| N4 | C12 | C11 | 109.5° | 109.5° |
| N4 | C12 | H33 | 109.1° | 109.5° |
| C12 | N4 | H34 | 118.9° | 120.0° |
| C28 | C23 | C24 | 118.5° | 120.2° |
| C23 | C28 | C27 | 121.4° | 119.8° |
| C23 | C28 | H23 | 119.3° | 120.1° |
| C23 | C24 | C25 | 120.6° | 120.3° |
| C23 | C24 | H22 | 119.7° | 119.9° |
| C28 | C27 | C29 | 117.7° | 120.1° |
| C28 | C27 | C26 | 119.5° | 119.7° |
| C27 | C28 | H23 | 119.3° | 120.1° |
| O6 | C29 | C27 | 118.2° | 120.0° |
| O6 | C29 | O7 | 123.1° | 120.0° |
| C7 | C6 | C5 | 113.0° | 109.5° |
| C7 | C6 | H6 | 108.6° | 109.5° |
| C7 | C6 | H7 | 108.6° | 109.5° |
| C6 | C7 | H8 | 108.4° | 109.5° |
| C6 | C7 | H9 | 108.4° | 109.4° |
| C27 | C29 | O7 | 118.7° | 120.0° |
| C29 | C27 | C26 | 122.8° | 120.1° |
| C29 | O7 | H43 | 109.5° | 117.0° |
| C27 | C26 | C25 | 119.0° | 119.8° |
| C27 | C26 | C30 | 122.9° | 120.1° |
| C24 | C25 | C26 | 120.9° | 120.2° |
| C25 | C24 | H22 | 119.7° | 119.8° |
| C24 | C25 | H42 | 119.6° | 119.9° |
| C45 | C12 | C11 | 110.4° | 109.4° |
| C12 | C45 | O12 | 120.0° | 120.0° |
| C12 | C45 | N8 | 116.9° | 120.0° |
| C45 | C12 | H33 | 108.1° | 109.5° |
| C12 | C11 | C10 | 113.6° | 109.5° |
| C12 | C11 | H31 | 108.4° | 109.5° |
| C12 | C11 | H32 | 108.4° | 109.5° |
| C11 | C12 | H33 | 108.1° | 109.5° |
| C6 | C5 | C4 | 114.8° | 109.5° |
| C6 | C5 | H4 | 108.1° | 109.5° |
| C6 | C5 | H5 | 108.1° | 109.4° |
| C5 | C6 | H6 | 108.6° | 109.5° |
| C5 | C6 | H7 | 108.6° | 109.4° |
| O12 | C45 | N8 | 123.1° | 120.0° |
| C45 | N8 | H56 | 120.0° | 120.0° |
| C45 | N8 | H57 | 120.0° | 120.0° |
| C11 | C10 | C9 | 113.0° | 109.4° |
| C11 | C10 | H12 | 108.6° | 109.4° |
| C11 | C10 | H13 | 108.6° | 109.4° |
| C10 | C11 | H31 | 108.4° | 109.5° |
| C10 | C11 | H32 | 108.4° | 109.5° |
| C10 | C9 | O2 | 121.6° | 120.0° |
| C10 | C9 | N3 | 116.0° | 120.0° |
| C9 | C10 | H12 | 108.6° | 109.5° |
| C9 | C10 | H13 | 108.6° | 109.5° |
| O2 | C9 | N3 | 122.4° | 120.0° |
| C25 | C26 | C30 | 118.1° | 120.1° |
| C26 | C25 | H42 | 119.5° | 119.9° |
| C26 | C30 | C38 | 121.0° | 121.2° |
| C26 | C30 | C31 | 119.9° | 121.2° |
| C9 | N3 | C4 | 122.0° | 120.0° |
| C9 | N3 | H2 | 119.0° | 120.0° |
| C5 | C4 | N3 | 110.6° | 109.5° |
| C5 | C4 | C3 | 107.6° | 109.5° |
| C5 | C4 | H3 | 107.8° | 109.5° |
| C4 | C5 | H4 | 108.1° | 109.5° |
| C4 | C5 | H5 | 108.1° | 109.5° |
| N3 | C4 | C3 | 113.9° | 109.5° |
| C4 | N3 | H2 | 119.0° | 120.0° |
| N3 | C4 | H3 | 108.9° | 109.4° |
| C4 | C3 | N1 | 115.6° | 120.0° |
| C4 | C3 | O1 | 120.7° | 120.0° |
| C3 | C4 | H3 | 107.9° | 109.5° |
| C38 | C30 | C31 | 119.1° | 117.6° |
| C30 | C38 | C39 | 124.4° | 120.8° |
| C30 | C38 | C37 | 119.6° | 119.0° |
| C30 | C31 | C32 | 124.9° | 120.3° |
| C30 | C31 | C36 | 119.1° | 119.5° |
| C38 | C39 | C40 | 122.2° | 119.8° |
| C39 | C38 | C37 | 116.0° | 120.2° |
| C38 | C39 | H48 | 118.9° | 120.1° |
| C39 | C40 | C41 | 120.1° | 120.4° |
| C40 | C39 | H48 | 118.9° | 120.1° |
| C39 | C40 | H49 | 120.0° | 119.8° |
| C31 | C32 | C33 | 121.9° | 120.0° |
| C32 | C31 | C36 | 116.1° | 120.2° |
| C31 | C32 | H44 | 119.0° | 120.0° |
| C32 | C33 | C34 | 121.8° | 120.2° |
| C33 | C32 | H44 | 119.0° | 120.0° |
| C32 | C33 | H45 | 119.1° | 119.9° |
| C38 | C37 | C42 | 122.9° | 119.2° |
| C38 | C37 | O9 | 121.3° | 120.5° |
| C40 | C41 | O10 | 118.9° | 119.7° |
| C40 | C41 | C42 | 120.0° | 120.6° |
| C41 | C40 | H49 | 119.9° | 119.8° |
| C31 | C36 | O9 | 120.5° | 121.0° |
| C31 | C36 | C35 | 122.9° | 119.2° |
| C33 | C34 | C35 | 116.5° | 120.4° |
| C33 | C34 | O8 | 120.5° | 119.8° |
| C34 | C33 | H45 | 119.1° | 119.9° |
| N1 | C3 | O1 | 123.7° | 120.0° |
| C3 | N1 | C2 | 124.2° | 120.0° |
| C3 | N1 | H1 | 117.9° | 120.1° |
| N1 | C2 | C1 | 109.9° | 109.4° |
| N1 | C2 | C46 | 110.6° | 109.5° |
| C2 | N1 | H1 | 117.9° | 120.0° |
| N1 | C2 | H27 | 109.2° | 109.5° |
| C42 | C37 | O9 | 115.8° | 120.3° |
| C37 | C42 | C41 | 118.8° | 119.9° |
| C37 | C42 | H51 | 120.6° | 120.1° |
| C37 | O9 | C36 | 120.4° | 122.4° |
| O10 | C41 | C42 | 121.1° | 119.7° |
| C41 | O10 | H50 | 109.5° | 114.0° |
| C41 | C42 | H51 | 120.6° | 120.1° |
| O9 | C36 | C35 | 116.7° | 119.7° |
| C36 | C35 | C34 | 120.8° | 119.9° |
| C36 | C35 | H46 | 119.6° | 120.0° |
| C35 | C34 | O8 | 123.0° | 119.8° |
| C34 | C35 | H46 | 119.6° | 120.1° |
| O13 | C46 | C2 | 120.8° | 120.0° |
| O13 | C46 | C47 | 122.4° | 120.0° |
| C1 | C2 | C46 | 110.5° | 109.5° |
| C2 | C1 | H24 | 109.5° | 109.5° |
| C2 | C1 | H25 | 109.5° | 109.5° |
| C2 | C1 | H26 | 109.5° | 109.5° |
| C1 | C2 | H27 | 108.4° | 109.5° |
| C2 | C46 | C47 | 116.8° | 120.0° |
| C46 | C2 | H27 | 108.2° | 109.5° |
| C46 | C47 | H58 | 109.5° | 109.4° |
| C46 | C47 | H59 | 109.5° | 109.4° |
| C46 | C47 | H60 | 109.4° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.4° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H16 | 109.4° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.4° | 109.5° |
| H24 | C1 | H25 | 109.5° | 109.4° |
| H24 | C1 | H26 | 109.4° | 109.5° |
| H25 | C1 | H26 | 109.4° | 109.5° |
| H28 | N2 | H29 | 109.4° | 111.0° |
| H31 | C11 | H32 | 109.4° | 109.5° |
| H37 | C18 | H38 | 109.4° | 109.5° |
| H39 | C19 | H40 | 109.5° | 109.5° |
| H53 | C44 | H54 | 109.5° | 109.4° |
| H53 | C44 | H55 | 109.5° | 109.5° |
| H54 | C44 | H55 | 109.5° | 109.5° |
| H56 | N8 | H57 | 120.0° | 120.0° |
| H58 | C47 | H59 | 109.5° | 109.5° |
| H58 | C47 | H60 | 109.5° | 109.5° |
| H59 | C47 | H60 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C43 | N7 | C44 | 178.8° | 180.0° |
| O11 | C43 | N7 | C17 | 5.8° | 0.0° |
| O11 | C43 | N7 | H52 | 174.2° | 180.0° |
| O11 | C43 | C44 | H53 | 0.0° | 90.0° |
| O11 | C43 | C44 | H54 | 120.0° | 30.0° |
| O11 | C43 | C44 | H55 | 120.0° | 150.0° |
| C43 | N7 | C17 | H52 | 180.0° | 180.0° |
| C43 | N7 | C17 | C18 | 167.2° | 60.0° |
| C43 | N7 | C17 | C16 | 68.7° | 60.0° |
| C43 | N7 | C17 | H17 | 48.4° | 180.0° |
| N7 | C43 | C44 | H53 | 178.8° | 90.0° |
| N7 | C43 | C44 | H54 | 61.2° | 150.0° |
| N7 | C43 | C44 | H55 | 58.8° | 30.0° |
| C44 | C43 | N7 | C17 | 173.0° | 180.0° |
| C44 | C43 | N7 | H52 | 7.0° | 0.0° |
| C43 | C44 | H53 | H54 | 120.0° | 119.9° |
| C43 | C44 | H53 | H55 | 120.0° | 120.1° |
| C43 | C44 | H54 | H55 | 120.0° | 120.0° |
| N7 | C17 | C18 | C16 | 123.3° | 120.0° |
| N7 | C17 | C18 | H17 | 119.4° | 120.0° |
| N7 | C17 | C16 | H17 | 117.7° | 120.0° |
| N7 | C17 | C18 | C19 | 30.6° | 65.0° |
| N7 | C17 | C16 | N5 | 52.7° | 160.0° |
| N7 | C17 | C16 | O4 | 125.3° | 20.0° |
| N7 | C17 | C18 | H37 | 90.6° | 175.0° |
| N7 | C17 | C18 | H38 | 151.8° | 55.0° |
| C18 | C17 | C16 | H17 | 117.2° | 120.0° |
| C17 | C18 | C19 | H37 | 121.2° | 120.1° |
| C17 | C18 | C19 | H38 | 121.2° | 120.0° |
| C18 | C17 | C16 | N5 | 177.8° | 80.0° |
| C18 | C17 | C16 | O4 | 0.2° | 100.0° |
| C17 | C18 | C19 | C20 | 45.2° | 180.0° |
| C17 | C18 | H37 | H38 | 116.2° | 120.0° |
| C17 | C18 | C19 | H39 | 76.1° | 60.1° |
| C17 | C18 | C19 | H40 | 166.5° | 60.0° |
| C18 | C17 | N7 | H52 | 12.8° | 120.0° |
| C16 | C17 | C18 | C19 | 92.7° | 175.0° |
| C17 | C16 | N5 | O4 | 177.9° | 180.0° |
| C17 | C16 | N5 | C14 | 167.7° | 180.0° |
| C17 | C16 | N5 | H36 | 12.3° | 0.0° |
| C16 | C17 | C18 | H37 | 146.1° | 55.0° |
| C16 | C17 | C18 | H38 | 28.5° | 65.0° |
| C16 | C17 | N7 | H52 | 111.3° | 120.0° |
| C18 | C19 | C20 | H39 | 121.2° | 120.0° |
| C18 | C19 | C20 | H40 | 121.3° | 120.1° |
| C18 | C19 | C20 | C21 | 136.4° | 180.0° |
| C19 | C18 | C17 | H17 | 150.1° | 55.1° |
| C18 | C19 | C20 | H18 | 102.6° | 60.0° |
| C18 | C19 | C20 | H19 | 15.4° | 59.9° |
| C19 | C18 | H37 | H38 | 116.2° | 120.0° |
| C18 | C19 | H39 | H40 | 116.0° | 120.1° |
| C16 | N5 | C14 | H36 | 180.0° | 180.0° |
| C16 | N5 | C14 | C15 | 176.2° | 85.0° |
| C16 | N5 | C14 | C13 | 62.4° | 155.0° |
| N5 | C16 | C17 | H17 | 65.0° | 40.0° |
| C16 | N5 | C14 | H35 | 56.5° | 35.0° |
| C14 | N5 | C16 | O4 | 10.3° | 0.0° |
| N5 | C14 | C15 | C13 | 121.0° | 120.0° |
| N5 | C14 | C15 | H35 | 120.3° | 120.0° |
| N5 | C14 | C13 | H35 | 119.6° | 120.0° |
| N5 | C14 | C13 | O3 | 38.4° | 0.0° |
| N5 | C14 | C13 | N4 | 141.3° | 180.0° |
| N5 | C14 | C15 | H14 | 180.0° | 180.0° |
| N5 | C14 | C15 | H15 | 60.0° | 60.0° |
| N5 | C14 | C15 | H16 | 60.0° | 60.0° |
| O4 | C16 | C17 | H17 | 117.0° | 140.0° |
| O4 | C16 | N5 | H36 | 169.7° | 180.0° |
| C15 | C14 | C13 | H35 | 118.8° | 120.0° |
| C15 | C14 | C13 | O3 | 83.3° | 120.0° |
| C15 | C14 | C13 | N4 | 97.0° | 60.0° |
| C14 | C15 | H14 | H15 | 120.0° | 120.0° |
| C14 | C15 | H14 | H16 | 120.0° | 120.0° |
| C14 | C15 | H15 | H16 | 120.0° | 120.0° |
| C15 | C14 | N5 | H36 | 3.8° | 95.0° |
| C14 | C13 | O3 | N4 | 179.7° | 180.0° |
| C14 | C13 | N4 | C12 | 179.2° | 180.0° |
| C13 | C14 | C15 | H14 | 59.0° | 60.0° |
| C13 | C14 | C15 | H15 | 179.0° | 180.0° |
| C13 | C14 | C15 | H16 | 61.0° | 60.0° |
| C14 | C13 | N4 | H34 | 0.8° | 0.0° |
| C13 | C14 | N5 | H36 | 117.6° | 25.0° |
| C19 | C20 | C21 | N6 | 37.9° | 180.0° |
| C19 | C20 | C21 | H18 | 121.0° | 120.0° |
| C19 | C20 | C21 | H19 | 121.0° | 120.0° |
| C19 | C20 | H18 | H19 | 116.9° | 120.0° |
| C19 | C20 | C21 | H20 | 158.5° | 60.1° |
| C19 | C20 | C21 | H21 | 82.6° | 60.0° |
| C20 | C19 | C18 | H37 | 166.4° | 59.9° |
| C20 | C19 | C18 | H38 | 76.0° | 60.0° |
| C20 | C19 | H39 | H40 | 116.0° | 119.9° |
| O5 | C22 | N6 | C23 | 179.7° | 179.9° |
| O5 | C22 | N6 | C21 | 178.4° | 0.0° |
| O5 | C22 | C23 | C28 | 13.5° | 0.0° |
| O5 | C22 | C23 | C24 | 164.8° | 180.0° |
| O5 | C22 | N6 | H41 | 1.6° | 179.9° |
| C22 | N6 | C21 | H41 | 180.0° | 180.0° |
| C22 | N6 | C21 | C20 | 177.4° | 180.0° |
| N6 | C22 | C23 | C28 | 166.8° | 180.0° |
| N6 | C22 | C23 | C24 | 14.9° | 0.0° |
| C22 | N6 | C21 | H20 | 56.8° | 60.0° |
| C22 | N6 | C21 | H21 | 62.1° | 60.0° |
| C21 | N6 | C22 | C23 | 1.9° | 180.0° |
| N6 | C21 | C20 | H20 | 120.5° | 119.9° |
| N6 | C21 | C20 | H21 | 120.5° | 120.0° |
| N6 | C21 | C20 | H18 | 158.9° | 60.0° |
| N6 | C21 | C20 | H19 | 83.1° | 60.0° |
| N6 | C21 | H20 | H21 | 118.5° | 120.0° |
| C22 | C23 | C28 | C24 | 178.4° | 180.0° |
| C22 | C23 | C28 | C27 | 179.3° | 179.4° |
| C22 | C23 | C24 | C25 | 179.1° | 180.0° |
| C22 | C23 | C24 | H22 | 0.9° | 0.2° |
| C22 | C23 | C28 | H23 | 0.7° | 0.3° |
| C23 | C22 | N6 | H41 | 178.1° | 0.0° |
| N2 | C8 | C7 | H10 | 120.7° | 120.0° |
| N2 | C8 | C7 | H11 | 120.7° | 120.0° |
| N2 | C8 | C7 | C6 | 117.8° | 180.0° |
| N2 | C8 | C7 | H8 | 2.8° | 60.0° |
| N2 | C8 | C7 | H9 | 121.7° | 60.0° |
| N2 | C8 | H10 | H11 | 117.9° | 120.0° |
| C8 | N2 | H28 | H29 | 120.0° | 124.0° |
| C21 | C20 | H18 | H19 | 116.9° | 120.0° |
| C20 | C21 | H20 | H21 | 118.4° | 120.0° |
| C21 | C20 | C19 | H39 | 15.2° | 60.0° |
| C21 | C20 | C19 | H40 | 102.3° | 60.0° |
| C20 | C21 | N6 | H41 | 2.7° | 0.0° |
| O3 | C13 | N4 | C12 | 1.1° | 0.0° |
| O3 | C13 | N4 | H34 | 178.9° | 180.0° |
| O3 | C13 | C14 | H35 | 158.0° | 120.0° |
| C13 | N4 | C12 | H34 | 180.0° | 180.0° |
| C13 | N4 | C12 | C45 | 102.1° | 85.0° |
| C13 | N4 | C12 | C11 | 135.4° | 155.0° |
| C13 | N4 | C12 | H33 | 17.3° | 35.0° |
| N4 | C13 | C14 | H35 | 21.8° | 60.0° |
| C8 | C7 | C6 | H8 | 120.6° | 120.0° |
| C8 | C7 | C6 | H9 | 120.6° | 120.0° |
| C8 | C7 | C6 | C5 | 171.6° | 180.0° |
| C8 | C7 | C6 | H6 | 51.1° | 60.0° |
| C8 | C7 | C6 | H7 | 67.9° | 60.0° |
| C8 | C7 | H8 | H9 | 118.2° | 120.0° |
| C7 | C8 | H10 | H11 | 117.9° | 120.0° |
| C7 | C8 | N2 | H28 | 180.0° | 56.1° |
| C7 | C8 | N2 | H29 | 60.0° | 180.0° |
| N4 | C12 | C45 | C11 | 121.9° | 120.0° |
| N4 | C12 | C45 | H33 | 120.0° | 120.1° |
| N4 | C12 | C11 | H33 | 118.8° | 120.0° |
| N4 | C12 | C45 | O12 | 48.3° | 0.0° |
| N4 | C12 | C45 | N8 | 132.0° | 180.0° |
| N4 | C12 | C11 | C10 | 80.8° | 65.0° |
| N4 | C12 | C11 | H31 | 158.5° | 55.0° |
| N4 | C12 | C11 | H32 | 39.8° | 175.0° |
| C23 | C28 | C27 | H23 | 180.0° | 179.1° |
| C23 | C28 | C27 | C29 | 179.8° | 179.2° |
| C23 | C28 | C27 | C26 | 0.3° | 0.9° |
| C28 | C23 | C24 | C25 | 0.9° | 0.0° |
| C28 | C23 | C24 | H22 | 179.1° | 179.8° |
| C24 | C23 | C28 | C27 | 0.9° | 0.6° |
| C23 | C24 | C25 | H22 | 180.0° | 179.8° |
| C23 | C24 | C25 | C26 | 0.3° | 0.2° |
| C24 | C23 | C28 | H23 | 179.1° | 179.7° |
| C23 | C24 | C25 | H42 | 179.7° | 179.8° |
| C28 | C27 | C29 | O6 | 35.8° | 179.9° |
| C28 | C27 | C29 | C26 | 179.9° | 179.9° |
| C28 | C27 | C29 | O7 | 143.6° | 0.0° |
| C28 | C27 | C26 | C25 | 0.4° | 0.6° |
| C28 | C27 | C26 | C30 | 179.7° | 179.4° |
| O6 | C29 | C27 | O7 | 179.4° | 180.0° |
| O6 | C29 | C27 | C26 | 144.3° | 0.0° |
| O6 | C29 | O7 | H43 | 0.0° | 0.0° |
| C7 | C6 | C5 | H6 | 120.5° | 120.1° |
| C7 | C6 | C5 | H7 | 120.5° | 120.0° |
| C7 | C6 | C5 | C4 | 161.8° | 179.9° |
| C7 | C6 | C5 | H4 | 77.4° | 59.9° |
| C7 | C6 | C5 | H5 | 41.0° | 60.0° |
| C7 | C6 | H6 | H7 | 118.4° | 120.0° |
| C6 | C7 | H8 | H9 | 118.1° | 119.9° |
| C6 | C7 | C8 | H10 | 121.5° | 60.0° |
| C6 | C7 | C8 | H11 | 2.9° | 60.1° |
| C29 | C27 | C26 | C25 | 179.6° | 179.4° |
| C29 | C27 | C26 | C30 | 0.3° | 0.5° |
| C29 | C27 | C28 | H23 | 0.2° | 0.1° |
| C27 | C29 | O7 | H43 | 179.4° | 180.0° |
| O7 | C29 | C27 | C26 | 36.3° | 180.0° |
| C27 | C26 | C25 | C24 | 0.4° | 0.1° |
| C27 | C26 | C25 | C30 | 179.3° | 180.0° |
| C27 | C26 | C30 | C38 | 68.4° | 105.0° |
| C27 | C26 | C30 | C31 | 111.8° | 74.7° |
| C26 | C27 | C28 | H23 | 179.7° | 180.0° |
| C27 | C26 | C25 | H42 | 179.6° | 179.9° |
| C24 | C25 | C26 | H42 | 180.0° | 180.0° |
| C24 | C25 | C26 | C30 | 179.7° | 179.9° |
| C45 | C12 | C11 | H33 | 118.0° | 120.0° |
| C12 | C45 | O12 | N8 | 179.6° | 180.0° |
| C45 | C12 | C11 | C10 | 156.0° | 175.0° |
| C45 | C12 | C11 | H31 | 35.4° | 65.0° |
| C45 | C12 | C11 | H32 | 83.4° | 55.0° |
| C45 | C12 | N4 | H34 | 77.9° | 95.0° |
| C12 | C45 | N8 | H56 | 179.7° | 0.0° |
| C12 | C45 | N8 | H57 | 0.3° | 180.0° |
| C11 | C12 | C45 | O12 | 73.6° | 120.0° |
| C11 | C12 | C45 | N8 | 106.1° | 60.0° |
| C12 | C11 | C10 | H31 | 120.6° | 120.0° |
| C12 | C11 | C10 | H32 | 120.6° | 120.0° |
| C12 | C11 | C10 | C9 | 165.9° | 180.0° |
| C12 | C11 | C10 | H12 | 45.4° | 60.0° |
| C12 | C11 | C10 | H13 | 73.6° | 60.0° |
| C12 | C11 | H31 | H32 | 118.1° | 120.0° |
| C11 | C12 | N4 | H34 | 44.6° | 25.0° |
| C6 | C5 | C4 | H4 | 120.8° | 120.0° |
| C6 | C5 | C4 | H5 | 120.8° | 120.0° |
| C6 | C5 | C4 | N3 | 53.0° | 65.0° |
| C6 | C5 | C4 | C3 | 178.0° | 175.0° |
| C6 | C5 | C4 | H3 | 65.9° | 55.0° |
| C6 | C5 | H4 | H5 | 117.5° | 120.0° |
| C5 | C6 | H6 | H7 | 118.4° | 119.9° |
| C5 | C6 | C7 | H8 | 67.8° | 60.0° |
| C5 | C6 | C7 | H9 | 51.0° | 60.0° |
| O12 | C45 | C12 | H33 | 168.4° | 120.0° |
| O12 | C45 | N8 | H56 | 0.0° | 180.0° |
| O12 | C45 | N8 | H57 | 180.0° | 0.0° |
| N8 | C45 | C12 | H33 | 12.0° | 60.0° |
| C45 | N8 | H56 | H57 | 180.0° | 179.9° |
| C11 | C10 | C9 | H12 | 120.5° | 119.9° |
| C11 | C10 | C9 | H13 | 120.5° | 120.0° |
| C11 | C10 | C9 | O2 | 37.4° | 0.0° |
| C11 | C10 | C9 | N3 | 143.3° | 180.0° |
| C11 | C10 | H12 | H13 | 118.4° | 119.9° |
| C10 | C11 | H31 | H32 | 118.1° | 120.0° |
| C10 | C11 | C12 | H33 | 38.0° | 55.0° |
| C10 | C9 | O2 | N3 | 179.2° | 179.9° |
| C10 | C9 | N3 | C4 | 175.1° | 180.0° |
| C10 | C9 | N3 | H2 | 5.0° | 0.0° |
| C9 | C10 | H12 | H13 | 118.4° | 120.1° |
| C9 | C10 | C11 | H31 | 73.5° | 60.0° |
| C9 | C10 | C11 | H32 | 45.3° | 60.0° |
| O2 | C9 | N3 | C4 | 4.2° | 0.1° |
| O2 | C9 | N3 | H2 | 175.7° | 180.0° |
| O2 | C9 | C10 | H12 | 83.1° | 119.9° |
| O2 | C9 | C10 | H13 | 157.9° | 120.0° |
| C25 | C26 | C30 | C38 | 112.3° | 75.0° |
| C25 | C26 | C30 | C31 | 67.5° | 105.3° |
| C26 | C25 | C24 | H22 | 179.7° | 180.0° |
| C26 | C30 | C38 | C31 | 179.8° | 179.8° |
| C26 | C30 | C38 | C39 | 0.0° | 0.0° |
| C26 | C30 | C31 | C32 | 0.3° | 0.0° |
| C26 | C30 | C38 | C37 | 179.9° | 179.7° |
| C26 | C30 | C31 | C36 | 180.0° | 180.0° |
| C30 | C26 | C25 | H42 | 0.3° | 0.0° |
| C9 | N3 | C4 | C5 | 124.3° | 85.0° |
| C9 | N3 | C4 | H2 | 180.0° | 179.9° |
| C9 | N3 | C4 | C3 | 114.4° | 155.0° |
| C9 | N3 | C4 | H3 | 6.0° | 35.0° |
| N3 | C9 | C10 | H12 | 96.2° | 60.0° |
| N3 | C9 | C10 | H13 | 22.8° | 60.1° |
| C5 | C4 | N3 | C3 | 121.2° | 120.0° |
| C5 | C4 | N3 | H3 | 118.3° | 120.0° |
| C5 | C4 | C3 | H3 | 116.1° | 120.0° |
| C5 | C4 | C3 | N1 | 80.4° | 59.9° |
| C5 | C4 | C3 | O1 | 97.9° | 120.0° |
| C5 | C4 | N3 | H2 | 55.7° | 95.0° |
| C4 | C5 | H4 | H5 | 117.6° | 120.0° |
| C4 | C5 | C6 | H6 | 41.3° | 60.0° |
| C4 | C5 | C6 | H7 | 77.7° | 59.9° |
| N3 | C4 | C3 | H3 | 121.0° | 119.9° |
| N3 | C4 | C3 | N1 | 156.8° | 180.0° |
| N3 | C4 | C3 | O1 | 25.0° | 0.1° |
| N3 | C4 | C5 | H4 | 173.8° | 55.0° |
| N3 | C4 | C5 | H5 | 67.7° | 175.0° |
| C4 | C3 | N1 | O1 | 178.2° | 179.9° |
| C4 | C3 | N1 | C2 | 174.3° | 180.0° |
| C4 | C3 | N1 | H1 | 5.7° | 0.2° |
| C3 | C4 | N3 | H2 | 65.5° | 25.1° |
| C3 | C4 | C5 | H4 | 61.3° | 65.0° |
| C3 | C4 | C5 | H5 | 57.2° | 55.0° |
| C30 | C38 | C39 | C37 | 179.9° | 179.7° |
| C30 | C38 | C39 | C40 | 179.9° | 180.0° |
| C38 | C30 | C31 | C32 | 179.9° | 179.8° |
| C38 | C30 | C31 | C36 | 0.2° | 0.3° |
| C30 | C38 | C37 | C42 | 179.9° | 179.7° |
| C30 | C38 | C37 | O9 | 0.0° | 0.6° |
| C30 | C38 | C39 | H48 | 0.1° | 0.0° |
| C31 | C30 | C38 | C39 | 179.8° | 179.7° |
| C30 | C31 | C32 | C36 | 179.7° | 179.9° |
| C30 | C31 | C32 | C33 | 179.9° | 180.0° |
| C31 | C30 | C38 | C37 | 0.2° | 0.6° |
| C30 | C31 | C36 | O9 | 0.2° | 0.0° |
| C30 | C31 | C36 | C35 | 179.9° | 180.0° |
| C30 | C31 | C32 | H44 | 0.1° | 0.1° |
| C38 | C39 | C40 | H48 | 180.0° | 179.9° |
| C38 | C39 | C40 | C41 | 0.0° | 0.0° |
| C39 | C38 | C37 | C42 | 0.0° | 0.0° |
| C39 | C38 | C37 | O9 | 179.9° | 179.7° |
| C38 | C39 | C40 | H49 | 180.0° | 179.9° |
| C40 | C39 | C38 | C37 | 0.0° | 0.3° |
| C39 | C40 | C41 | H49 | 180.0° | 179.9° |
| C39 | C40 | C41 | O10 | 179.9° | 180.0° |
| C39 | C40 | C41 | C42 | 0.0° | 0.7° |
| C31 | C32 | C33 | H44 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.3° | 0.1° |
| C32 | C31 | C36 | O9 | 179.9° | 179.9° |
| C32 | C31 | C36 | C35 | 0.2° | 0.0° |
| C31 | C32 | C33 | H45 | 179.7° | 180.0° |
| C33 | C32 | C31 | C36 | 0.3° | 0.1° |
| C32 | C33 | C34 | H45 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.1° | 0.1° |
| C32 | C33 | C34 | O8 | 179.8° | 180.0° |
| C38 | C37 | C42 | O9 | 179.9° | 179.7° |
| C38 | C37 | C42 | C41 | 0.0° | 0.6° |
| C38 | C37 | O9 | C36 | 0.0° | 0.3° |
| C37 | C38 | C39 | H48 | 180.0° | 179.7° |
| C38 | C37 | C42 | H51 | 180.0° | 179.7° |
| C40 | C41 | C42 | C37 | 0.1° | 1.0° |
| C40 | C41 | O10 | C42 | 179.9° | 179.3° |
| C41 | C40 | C39 | H48 | 180.0° | 179.9° |
| C40 | C41 | O10 | H50 | 180.0° | 90.0° |
| C40 | C41 | C42 | H51 | 180.0° | 180.0° |
| C31 | C36 | O9 | C37 | 0.0° | 0.0° |
| C31 | C36 | O9 | C35 | 179.9° | 179.9° |
| C31 | C36 | C35 | C34 | 0.0° | 0.0° |
| C36 | C31 | C32 | H44 | 179.7° | 180.0° |
| C31 | C36 | C35 | H46 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.0° | 0.0° |
| C33 | C34 | C35 | O8 | 179.9° | 179.9° |
| C34 | C33 | C32 | H44 | 179.7° | 180.0° |
| C33 | C34 | C35 | H46 | 180.0° | 180.0° |
| C3 | N1 | C2 | H1 | 180.0° | 179.8° |
| C3 | N1 | C2 | C1 | 103.6° | 84.8° |
| C3 | N1 | C2 | C46 | 134.2° | 155.3° |
| N1 | C3 | C4 | H3 | 35.7° | 60.1° |
| C3 | N1 | C2 | H27 | 15.2° | 35.3° |
| O1 | C3 | N1 | C2 | 3.9° | 0.1° |
| O1 | C3 | N1 | H1 | 176.1° | 179.7° |
| O1 | C3 | C4 | H3 | 146.0° | 120.0° |
| N1 | C2 | C46 | O13 | 25.5° | 20.0° |
| N1 | C2 | C1 | C46 | 122.3° | 120.0° |
| N1 | C2 | C1 | H27 | 119.3° | 120.1° |
| N1 | C2 | C46 | H27 | 119.6° | 120.1° |
| N1 | C2 | C46 | C47 | 155.1° | 160.0° |
| N1 | C2 | C1 | H24 | 180.0° | 179.9° |
| N1 | C2 | C1 | H25 | 60.0° | 60.0° |
| N1 | C2 | C1 | H26 | 60.0° | 60.1° |
| C37 | C42 | C41 | O10 | 180.0° | 179.7° |
| C37 | C42 | C41 | H51 | 180.0° | 179.1° |
| C42 | C37 | O9 | C36 | 179.9° | 180.0° |
| O9 | C37 | C42 | C41 | 179.9° | 179.1° |
| C37 | O9 | C36 | C35 | 179.9° | 180.0° |
| O9 | C37 | C42 | H51 | 0.1° | 0.0° |
| O10 | C41 | C40 | H49 | 0.1° | 0.1° |
| O10 | C41 | C42 | H51 | 0.1° | 0.6° |
| C42 | C41 | C40 | H49 | 180.0° | 179.4° |
| C42 | C41 | O10 | H50 | 0.1° | 89.3° |
| O9 | C36 | C35 | C34 | 179.9° | 179.9° |
| O9 | C36 | C35 | H46 | 0.1° | 0.1° |
| C36 | C35 | C34 | H46 | 180.0° | 180.0° |
| C36 | C35 | C34 | O8 | 179.9° | 180.0° |
| C35 | C34 | C33 | H45 | 179.9° | 180.0° |
| O8 | C34 | C33 | H45 | 0.2° | 0.1° |
| O8 | C34 | C35 | H46 | 0.1° | 0.0° |
| O13 | C46 | C2 | C1 | 96.4° | 100.0° |
| O13 | C46 | C2 | C47 | 179.4° | 180.0° |
| O13 | C46 | C2 | H27 | 145.1° | 140.0° |
| O13 | C46 | C47 | H58 | 0.0° | 180.0° |
| O13 | C46 | C47 | H59 | 120.0° | 60.1° |
| O13 | C46 | C47 | H60 | 120.0° | 60.0° |
| C1 | C2 | C46 | H27 | 118.5° | 120.0° |
| C1 | C2 | C46 | C47 | 83.0° | 80.0° |
| C1 | C2 | N1 | H1 | 76.4° | 95.0° |
| C2 | C1 | H24 | H25 | 120.0° | 120.0° |
| C2 | C1 | H24 | H26 | 120.0° | 120.0° |
| C2 | C1 | H25 | H26 | 120.0° | 120.0° |
| C46 | C2 | N1 | H1 | 45.8° | 24.9° |
| C46 | C2 | C1 | H24 | 57.7° | 60.0° |
| C46 | C2 | C1 | H25 | 62.4° | 60.0° |
| C46 | C2 | C1 | H26 | 177.7° | 180.0° |
| C2 | C46 | C47 | H58 | 179.4° | 0.0° |
| C2 | C46 | C47 | H59 | 59.4° | 120.0° |
| C2 | C46 | C47 | H60 | 60.6° | 120.0° |
| C47 | C46 | C2 | H27 | 35.5° | 40.0° |
| C46 | C47 | H58 | H59 | 120.0° | 120.0° |
| C46 | C47 | H58 | H60 | 120.0° | 120.0° |
| C46 | C47 | H59 | H60 | 120.0° | 120.0° |
| H1 | N1 | C2 | H27 | 164.9° | 145.0° |
| H2 | N3 | C4 | H3 | 174.0° | 145.0° |
| H3 | C4 | C5 | H4 | 54.9° | 175.0° |
| H3 | C4 | C5 | H5 | 173.3° | 65.0° |
| H4 | C5 | C6 | H6 | 162.1° | 180.0° |
| H4 | C5 | C6 | H7 | 43.1° | 60.1° |
| H5 | C5 | C6 | H6 | 79.5° | 60.0° |
| H5 | C5 | C6 | H7 | 161.5° | 179.9° |
| H6 | C6 | C7 | H8 | 171.7° | NaN° |
| H6 | C6 | C7 | H9 | 69.5° | 60.0° |
| H7 | C6 | C7 | H8 | 52.7° | 60.0° |
| H7 | C6 | C7 | H9 | 171.5° | 180.0° |
| H8 | C7 | C8 | H10 | 117.9° | 180.0° |
| H8 | C7 | C8 | H11 | 123.5° | 60.0° |
| H9 | C7 | C8 | H10 | 1.0° | 60.0° |
| H9 | C7 | C8 | H11 | 117.7° | 180.0° |
| H10 | C8 | N2 | H28 | 59.3° | 64.0° |
| H10 | C8 | N2 | H29 | 60.7° | 60.0° |
| H11 | C8 | N2 | H28 | 59.3° | 176.0° |
| H11 | C8 | N2 | H29 | 179.3° | 60.0° |
| H12 | C10 | C11 | H31 | 166.0° | 180.0° |
| H12 | C10 | C11 | H32 | 75.2° | 60.0° |
| H13 | C10 | C11 | H31 | 47.0° | 60.0° |
| H13 | C10 | C11 | H32 | 165.8° | 180.0° |
| H14 | C15 | H15 | H16 | 120.0° | 120.0° |
| H14 | C15 | C14 | H35 | 59.8° | 60.1° |
| H15 | C15 | C14 | H35 | 60.3° | 59.9° |
| H16 | C15 | C14 | H35 | 179.7° | 179.9° |
| H17 | C17 | C18 | H37 | 28.8° | 65.0° |
| H17 | C17 | C18 | H38 | 88.7° | 175.0° |
| H17 | C17 | N7 | H52 | 131.6° | 0.0° |
| H18 | C20 | C21 | H20 | 80.5° | 59.9° |
| H18 | C20 | C21 | H21 | 38.4° | 180.0° |
| H18 | C20 | C19 | H39 | 136.2° | 180.0° |
| H18 | C20 | C19 | H40 | 18.7° | 60.0° |
| H19 | C20 | C21 | H20 | 37.5° | 179.9° |
| H19 | C20 | C21 | H21 | 156.4° | 60.0° |
| H19 | C20 | C19 | H39 | 105.8° | 60.1° |
| H19 | C20 | C19 | H40 | 136.7° | 180.0° |
| H20 | C21 | N6 | H41 | 123.2° | 120.0° |
| H21 | C21 | N6 | H41 | 117.9° | 119.9° |
| H22 | C24 | C25 | H42 | 0.3° | 0.0° |
| H24 | C1 | H25 | H26 | 119.9° | 120.0° |
| H24 | C1 | C2 | H27 | 60.7° | 60.0° |
| H25 | C1 | C2 | H27 | 179.2° | 180.0° |
| H26 | C1 | C2 | H27 | 59.3° | 60.0° |
| H31 | C11 | C12 | H33 | 82.7° | 175.0° |
| H32 | C11 | C12 | H33 | 158.6° | 65.0° |
| H33 | C12 | N4 | H34 | 162.7° | 145.0° |
| H35 | C14 | N5 | H36 | 123.5° | 145.0° |
| H37 | C18 | C19 | H39 | 45.2° | 60.0° |
| H37 | C18 | C19 | H40 | 72.3° | 179.9° |
| H38 | C18 | C19 | H39 | 162.7° | 180.0° |
| H38 | C18 | C19 | H40 | 45.2° | 60.0° |
| H44 | C32 | C33 | H45 | 0.3° | 0.1° |
| H48 | C39 | C40 | H49 | 0.0° | 0.0° |
| H53 | C44 | H54 | H55 | 120.0° | 120.0° |
| H58 | C47 | H59 | H60 | 120.0° | 120.0° |
