ZNI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C28 | sing | 1.53Å | 1.53Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C29 | O4 | sing | 1.43Å | 1.43Å | |
| C28 | O4 | sing | 1.43Å | 1.44Å | |
| C28 | C27 | sing | 1.51Å | 1.52Å | |
| N6 | C27 | doub | 1.32Å | 1.35Å | Aromatic |
| N6 | C31 | sing | 1.32Å | 1.34Å | Aromatic |
| C45 | C43 | sing | 1.53Å | 1.53Å | |
| O6 | C47 | doub | 1.21Å | 1.20Å | |
| C46 | C43 | sing | 1.53Å | 1.53Å | |
| C46 | O5 | sing | 1.44Å | 1.46Å | |
| C43 | C42 | sing | 1.53Å | 1.56Å | |
| C27 | C26 | sing | 1.40Å | 1.41Å | Aromatic |
| C31 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C47 | O5 | sing | 1.34Å | 1.33Å | |
| C47 | C2 | sing | 1.50Å | 1.51Å | |
| C1 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.52Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | N2 | sing | 1.46Å | 1.45Å | |
| C32 | N7 | sing | 1.40Å | 1.37Å | |
| C32 | C40 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.48Å | 1.47Å | |
| N1 | N2 | sing | 1.39Å | 1.42Å | |
| C26 | C40 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.48Å | 1.47Å | |
| C39 | C38 | sing | 1.53Å | 1.51Å | |
| C39 | N7 | sing | 1.47Å | 1.47Å | |
| C42 | C41 | sing | 1.50Å | 1.49Å | |
| C38 | N8 | sing | 1.47Å | 1.47Å | |
| N7 | C33 | sing | 1.47Å | 1.46Å | |
| N2 | C5 | sing | 1.35Å | 1.36Å | |
| C25 | C41 | doub | 1.36Å | 1.40Å | Aromatic |
| C25 | N5 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | C19 | sing | 1.47Å | 1.43Å | Aromatic |
| O2 | C7 | doub | 1.21Å | 1.23Å | |
| N5 | C23 | sing | 1.46Å | 1.46Å | |
| N5 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.41Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| N8 | C35 | sing | 1.47Å | 1.45Å | |
| N8 | C34 | sing | 1.47Å | 1.47Å | |
| C5 | O1 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C35 | C37 | sing | 1.53Å | 1.49Å | |
| C35 | C36 | sing | 1.53Å | 1.49Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.55Å | 1.50Å | |
| C9 | C12 | sing | 1.55Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | N3 | sing | 1.35Å | 1.34Å | |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| C37 | C36 | sing | 1.53Å | 1.49Å | |
| C6 | N3 | sing | 1.46Å | 1.45Å | |
| C6 | C13 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | doub | 1.37Å | 1.39Å | Aromatic |
| C10 | C8 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.54Å | 1.51Å | |
| C17 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C15 | sing | 1.48Å | 1.47Å | |
| C12 | O3 | sing | 1.44Å | 1.45Å | |
| N4 | C15 | sing | 1.33Å | 1.40Å | Aromatic |
| N4 | C14 | doub | 1.28Å | 1.30Å | Aromatic |
| C15 | C16 | doub | 1.34Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.50Å | 1.53Å | |
| C14 | S1 | sing | 1.71Å | 1.72Å | Aromatic |
| C16 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C11 | O3 | sing | 1.45Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.10Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.10Å | 1.10Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.09Å | 1.10Å | |
| C38 | H40 | sing | 1.09Å | 1.10Å | |
| C39 | H41 | sing | 1.09Å | 1.10Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C4 | H44 | sing | 1.09Å | 1.10Å | |
| C40 | H45 | sing | 1.08Å | 1.08Å | |
| C42 | H46 | sing | 1.10Å | 1.10Å | |
| C42 | H47 | sing | 1.09Å | 1.10Å | |
| C44 | H48 | sing | 1.09Å | 1.10Å | |
| C44 | H49 | sing | 1.09Å | 1.10Å | |
| C44 | H50 | sing | 1.09Å | 1.10Å | |
| C45 | H51 | sing | 1.09Å | 1.10Å | |
| C45 | H52 | sing | 1.09Å | 1.10Å | |
| C45 | H53 | sing | 1.09Å | 1.10Å | |
| C46 | H54 | sing | 1.09Å | 1.10Å | |
| C46 | H55 | sing | 1.09Å | 1.10Å | |
| C6 | H56 | sing | 1.10Å | 1.10Å | |
| C8 | H57 | sing | 1.09Å | 1.10Å | |
| C9 | H58 | sing | 1.09Å | 1.10Å | |
| N1 | H59 | sing | 1.07Å | 1.00Å | |
| N3 | H60 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C28 | O4 | 108.4° | 109.4° |
| C30 | C28 | C27 | 113.0° | 109.5° |
| C30 | C28 | H20 | 108.2° | 109.5° |
| C28 | C30 | H26 | 109.5° | 109.5° |
| C28 | C30 | H27 | 109.5° | 109.4° |
| C28 | C30 | H28 | 109.5° | 109.5° |
| C44 | C43 | C45 | 108.2° | 109.4° |
| C44 | C43 | C46 | 109.1° | 108.6° |
| C44 | C43 | C42 | 111.8° | 110.2° |
| C43 | C44 | H48 | 109.5° | 109.5° |
| C43 | C44 | H49 | 109.5° | 109.4° |
| C43 | C44 | H50 | 109.5° | 109.5° |
| C29 | O4 | C28 | 113.8° | 114.0° |
| O4 | C29 | H21 | 109.5° | 109.5° |
| O4 | C29 | H22 | 109.4° | 109.5° |
| O4 | C29 | H23 | 109.5° | 109.4° |
| O4 | C28 | C27 | 109.6° | 109.5° |
| O4 | C28 | H20 | 109.3° | 109.5° |
| C28 | C27 | N6 | 117.9° | 119.6° |
| C28 | C27 | C26 | 121.5° | 119.7° |
| C27 | C28 | H20 | 108.3° | 109.5° |
| C27 | N6 | C31 | 120.3° | 122.0° |
| N6 | C27 | C26 | 120.6° | 120.7° |
| N6 | C31 | C32 | 122.2° | 121.0° |
| N6 | C31 | H29 | 118.9° | 119.5° |
| C45 | C43 | C46 | 109.6° | 109.6° |
| C45 | C43 | C42 | 106.9° | 111.3° |
| C43 | C45 | H51 | 109.5° | 109.5° |
| C43 | C45 | H52 | 109.5° | 109.5° |
| C43 | C45 | H53 | 109.5° | 109.5° |
| O6 | C47 | O5 | 124.2° | 119.1° |
| O6 | C47 | C2 | 124.0° | 120.5° |
| C43 | C46 | O5 | 108.2° | 111.4° |
| C46 | C43 | C42 | 111.1° | 107.7° |
| C43 | C46 | H54 | 109.8° | 108.8° |
| C43 | C46 | H55 | 109.8° | 108.5° |
| C46 | O5 | C47 | 116.5° | 117.9° |
| O5 | C46 | H54 | 109.8° | 110.2° |
| O5 | C46 | H55 | 109.8° | 109.3° |
| C43 | C42 | C41 | 118.3° | 113.4° |
| C43 | C42 | H46 | 107.2° | 108.7° |
| C43 | C42 | H47 | 107.2° | 109.0° |
| C27 | C26 | C40 | 118.5° | 119.0° |
| C27 | C26 | C25 | 124.2° | 120.5° |
| C31 | C32 | N7 | 120.6° | 120.4° |
| C31 | C32 | C40 | 118.2° | 119.2° |
| C32 | C31 | H29 | 118.9° | 119.5° |
| O5 | C47 | C2 | 111.7° | 120.5° |
| C47 | C2 | C1 | 108.9° | 110.2° |
| C47 | C2 | N1 | 106.4° | 111.1° |
| C47 | C2 | H12 | 110.1° | 109.4° |
| C4 | C1 | C2 | 109.6° | 109.8° |
| C1 | C4 | C3 | 110.2° | 109.4° |
| C4 | C1 | H1 | 109.4° | 109.3° |
| C4 | C1 | H2 | 109.4° | 109.3° |
| C1 | C4 | H43 | 109.3° | 110.1° |
| C1 | C4 | H44 | 109.3° | 109.2° |
| C1 | C2 | N1 | 111.1° | 109.5° |
| C2 | C1 | H1 | 109.4° | 109.6° |
| C2 | C1 | H2 | 109.5° | 109.6° |
| C1 | C2 | H12 | 109.7° | 109.0° |
| C4 | C3 | N2 | 107.6° | 111.8° |
| C4 | C3 | H24 | 110.0° | 109.2° |
| C4 | C3 | H25 | 109.9° | 109.0° |
| C3 | C4 | H43 | 109.3° | 109.8° |
| C3 | C4 | H44 | 109.3° | 109.2° |
| C3 | N2 | N1 | 116.1° | 120.5° |
| C3 | N2 | C5 | 123.6° | 121.0° |
| N2 | C3 | H24 | 109.9° | 109.3° |
| N2 | C3 | H25 | 109.9° | 109.3° |
| N7 | C32 | C40 | 121.1° | 120.4° |
| C32 | N7 | C39 | 121.7° | 111.0° |
| C32 | N7 | C33 | 121.0° | 111.0° |
| C32 | C40 | C26 | 119.9° | 118.2° |
| C32 | C40 | H45 | 120.0° | 120.9° |
| C2 | N1 | N2 | 109.3° | 107.7° |
| N1 | C2 | H12 | 110.6° | 107.5° |
| C2 | N1 | H59 | 109.5° | 101.6° |
| N1 | N2 | C5 | 120.3° | 118.6° |
| N2 | N1 | H59 | 109.5° | 100.8° |
| C40 | C26 | C25 | 117.1° | 120.5° |
| C26 | C40 | H45 | 120.1° | 120.9° |
| C26 | C25 | C41 | 127.3° | 126.0° |
| C26 | C25 | N5 | 124.5° | 124.1° |
| C38 | C39 | N7 | 112.1° | 109.4° |
| C39 | C38 | N8 | 112.8° | 109.3° |
| C39 | C38 | H39 | 108.6° | 109.4° |
| C39 | C38 | H40 | 108.6° | 109.5° |
| C38 | C39 | H41 | 108.8° | 109.5° |
| C38 | C39 | H42 | 108.8° | 109.5° |
| C39 | N7 | C33 | 116.2° | 110.9° |
| N7 | C39 | H41 | 108.8° | 109.5° |
| N7 | C39 | H42 | 108.8° | 109.5° |
| C42 | C41 | C25 | 126.2° | 127.5° |
| C42 | C41 | C19 | 126.1° | 126.1° |
| C41 | C42 | H46 | 107.2° | 108.5° |
| C41 | C42 | H47 | 107.2° | 109.5° |
| C38 | N8 | C35 | 108.5° | 111.0° |
| C38 | N8 | C34 | 108.3° | 110.9° |
| N8 | C38 | H39 | 108.6° | 109.5° |
| N8 | C38 | H40 | 108.6° | 109.5° |
| N7 | C33 | C34 | 115.1° | 109.3° |
| N7 | C33 | H30 | 108.1° | 109.5° |
| N7 | C33 | H31 | 108.1° | 109.5° |
| N2 | C5 | O1 | 122.5° | 120.4° |
| N2 | C5 | C6 | 117.2° | 120.6° |
| C41 | C25 | N5 | 108.0° | 109.8° |
| C25 | C41 | C19 | 107.7° | 106.4° |
| C25 | N5 | C23 | 125.5° | 124.8° |
| C25 | N5 | C20 | 109.7° | 109.9° |
| C41 | C19 | C20 | 106.9° | 106.8° |
| C41 | C19 | C18 | 133.3° | 133.3° |
| O2 | C7 | N3 | 122.8° | 120.0° |
| O2 | C7 | C8 | 122.7° | 120.0° |
| C23 | N5 | C20 | 123.9° | 125.3° |
| N5 | C23 | C24 | 109.1° | 109.5° |
| N5 | C23 | H15 | 109.6° | 109.5° |
| N5 | C23 | H16 | 109.6° | 109.5° |
| N5 | C20 | C19 | 107.7° | 107.1° |
| N5 | C20 | C21 | 130.5° | 133.3° |
| C20 | C19 | C18 | 119.8° | 119.9° |
| C19 | C20 | C21 | 121.8° | 119.6° |
| C19 | C18 | C17 | 119.1° | 119.5° |
| C19 | C18 | H11 | 120.5° | 120.4° |
| C24 | C23 | H15 | 109.6° | 109.5° |
| C24 | C23 | H16 | 109.6° | 109.5° |
| C23 | C24 | H17 | 109.5° | 109.5° |
| C23 | C24 | H18 | 109.4° | 109.5° |
| C23 | C24 | H19 | 109.5° | 109.5° |
| C35 | N8 | C34 | 110.8° | 111.0° |
| N8 | C35 | C37 | 116.3° | 117.5° |
| N8 | C35 | C36 | 119.4° | 117.5° |
| N8 | C35 | H34 | 116.8° | 115.5° |
| N8 | C34 | C33 | 111.5° | 109.4° |
| N8 | C34 | H32 | 109.0° | 109.5° |
| N8 | C34 | H33 | 108.9° | 109.5° |
| O1 | C5 | C6 | 120.3° | 119.0° |
| C5 | C6 | N3 | 108.4° | 109.9° |
| C5 | C6 | C13 | 107.7° | 109.8° |
| C5 | C6 | H56 | 109.2° | 107.8° |
| C37 | C35 | C36 | 60.2° | 60.0° |
| C35 | C37 | C36 | 60.0° | 60.0° |
| C37 | C35 | H34 | 116.0° | 117.5° |
| C35 | C37 | H37 | 120.0° | 117.5° |
| C35 | C37 | H38 | 120.0° | 117.4° |
| C35 | C36 | C37 | 59.8° | 60.0° |
| C36 | C35 | H34 | 116.0° | 117.5° |
| C35 | C36 | H35 | 120.0° | 117.5° |
| C35 | C36 | H36 | 120.0° | 117.5° |
| C34 | C33 | H30 | 108.0° | 109.5° |
| C34 | C33 | H31 | 108.1° | 109.6° |
| C33 | C34 | H32 | 108.9° | 109.5° |
| C33 | C34 | H33 | 108.9° | 109.5° |
| C20 | C21 | C22 | 117.1° | 120.3° |
| C20 | C21 | H13 | 121.5° | 120.0° |
| C18 | C17 | C22 | 119.7° | 120.2° |
| C18 | C17 | C15 | 120.0° | 118.3° |
| C17 | C18 | H11 | 120.5° | 120.1° |
| C10 | C9 | C12 | 107.6° | 104.0° |
| C10 | C9 | C8 | 60.3° | 59.7° |
| C9 | C10 | C8 | 60.2° | 59.6° |
| C9 | C10 | C11 | 105.5° | 104.1° |
| C9 | C10 | H3 | 119.7° | 123.1° |
| C10 | C9 | H58 | 120.6° | 122.4° |
| C12 | C9 | C8 | 112.9° | 118.1° |
| C9 | C12 | O3 | 103.5° | 104.8° |
| C9 | C12 | H6 | 111.0° | 110.4° |
| C9 | C12 | H7 | 111.0° | 110.5° |
| C12 | C9 | H58 | 120.4° | 117.8° |
| C9 | C8 | C7 | 114.6° | 117.5° |
| C9 | C8 | C10 | 59.4° | 60.7° |
| C9 | C8 | H57 | 117.4° | 117.4° |
| C8 | C9 | H58 | 120.3° | 120.3° |
| N3 | C7 | C8 | 114.4° | 120.0° |
| C7 | N3 | C6 | 122.7° | 120.0° |
| C7 | N3 | H60 | 118.6° | 119.9° |
| C7 | C8 | C10 | 116.9° | 117.4° |
| C7 | C8 | H57 | 117.9° | 115.5° |
| C37 | C36 | H35 | 120.0° | 117.6° |
| C37 | C36 | H36 | 120.0° | 117.5° |
| C36 | C37 | H37 | 120.0° | 117.5° |
| C36 | C37 | H38 | 120.0° | 117.4° |
| N3 | C6 | C13 | 113.1° | 111.7° |
| N3 | C6 | H56 | 109.8° | 108.6° |
| C6 | N3 | H60 | 118.6° | 120.1° |
| C6 | C13 | C14 | 109.0° | 111.5° |
| C6 | C13 | H8 | 109.6° | 109.2° |
| C6 | C13 | H9 | 109.6° | 109.9° |
| C13 | C6 | H56 | 108.6° | 108.9° |
| C21 | C22 | C17 | 122.5° | 120.6° |
| C22 | C21 | H13 | 121.4° | 119.7° |
| C21 | C22 | H14 | 118.7° | 119.4° |
| C8 | C10 | C11 | 117.2° | 118.1° |
| C8 | C10 | H3 | 119.4° | 119.7° |
| C10 | C8 | H57 | 117.4° | 117.4° |
| C10 | C11 | O3 | 103.9° | 104.8° |
| C11 | C10 | H3 | 119.5° | 117.9° |
| C10 | C11 | H4 | 110.9° | 110.4° |
| C10 | C11 | H5 | 110.8° | 110.4° |
| C22 | C17 | C15 | 120.3° | 121.5° |
| C17 | C22 | H14 | 118.8° | 120.0° |
| C17 | C15 | N4 | 118.7° | 121.0° |
| C17 | C15 | C16 | 126.4° | 125.1° |
| C12 | O3 | C11 | 109.8° | 105.2° |
| O3 | C12 | H6 | 110.9° | 110.4° |
| O3 | C12 | H7 | 110.9° | 110.4° |
| C15 | N4 | C14 | 110.9° | 117.4° |
| N4 | C15 | C16 | 114.8° | 114.0° |
| N4 | C14 | C13 | 123.1° | 125.2° |
| N4 | C14 | S1 | 114.4° | 110.1° |
| C15 | C16 | S1 | 109.9° | 107.9° |
| C15 | C16 | H10 | 125.1° | 126.3° |
| C13 | C14 | S1 | 122.5° | 124.6° |
| C14 | C13 | H8 | 109.6° | 108.8° |
| C14 | C13 | H9 | 109.6° | 109.3° |
| C14 | S1 | C16 | 90.0° | 90.5° |
| S1 | C16 | H10 | 125.1° | 125.8° |
| O3 | C11 | H4 | 110.9° | 110.3° |
| O3 | C11 | H5 | 110.9° | 110.3° |
| H1 | C1 | H2 | 109.5° | 109.1° |
| H4 | C11 | H5 | 109.5° | 110.5° |
| H6 | C12 | H7 | 109.5° | 110.3° |
| H8 | C13 | H9 | 109.5° | 108.2° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H17 | C24 | H18 | 109.5° | 109.4° |
| H17 | C24 | H19 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.5° |
| H21 | C29 | H22 | 109.5° | 109.4° |
| H21 | C29 | H23 | 109.5° | 109.5° |
| H22 | C29 | H23 | 109.5° | 109.5° |
| H24 | C3 | H25 | 109.5° | 108.2° |
| H26 | C30 | H27 | 109.5° | 109.5° |
| H26 | C30 | H28 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H30 | C33 | H31 | 109.4° | 109.5° |
| H32 | C34 | H33 | 109.5° | 109.5° |
| H35 | C36 | H36 | 109.5° | 115.5° |
| H37 | C37 | H38 | 109.5° | 115.6° |
| H39 | C38 | H40 | 109.5° | 109.5° |
| H41 | C39 | H42 | 109.5° | 109.5° |
| H43 | C4 | H44 | 109.5° | 109.0° |
| H46 | C42 | H47 | 109.4° | 107.6° |
| H48 | C44 | H49 | 109.5° | 109.5° |
| H48 | C44 | H50 | 109.4° | 109.5° |
| H49 | C44 | H50 | 109.4° | 109.5° |
| H51 | C45 | H52 | 109.4° | 109.5° |
| H51 | C45 | H53 | 109.5° | 109.4° |
| H52 | C45 | H53 | 109.5° | 109.5° |
| H54 | C46 | H55 | 109.5° | 108.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C28 | O4 | C29 | 74.0° | 90.0° |
| C30 | C28 | O4 | C27 | 123.7° | 120.0° |
| C30 | C28 | O4 | H20 | 117.7° | 120.0° |
| C30 | C28 | C27 | H20 | 119.8° | 120.0° |
| C30 | C28 | C27 | N6 | 49.1° | 75.0° |
| C30 | C28 | C27 | C26 | 132.1° | 105.1° |
| C28 | C30 | H26 | H27 | 120.0° | 119.9° |
| C28 | C30 | H26 | H28 | 120.0° | 120.1° |
| C28 | C30 | H27 | H28 | 120.0° | 120.0° |
| C44 | C43 | C45 | C46 | 118.8° | 119.0° |
| C44 | C43 | C45 | C42 | 120.6° | 122.0° |
| C44 | C43 | C46 | C42 | 123.7° | 119.3° |
| C44 | C43 | C46 | O5 | 168.0° | 100.6° |
| C44 | C43 | C42 | C41 | 63.8° | 77.6° |
| C44 | C43 | C42 | H46 | 174.9° | 161.7° |
| C44 | C43 | C42 | H47 | 57.5° | 44.7° |
| C43 | C44 | H48 | H49 | 120.0° | 120.0° |
| C43 | C44 | H48 | H50 | 120.0° | 120.0° |
| C43 | C44 | H49 | H50 | 120.0° | 120.0° |
| C44 | C43 | C45 | H51 | 180.0° | 178.6° |
| C44 | C43 | C45 | H52 | 60.0° | 61.3° |
| C44 | C43 | C45 | H53 | 60.0° | 58.7° |
| C44 | C43 | C46 | H54 | 72.2° | 137.8° |
| C44 | C43 | C46 | H55 | 48.2° | 19.7° |
| C29 | O4 | C28 | C27 | 162.3° | 150.0° |
| C29 | O4 | C28 | H20 | 43.7° | 30.0° |
| O4 | C29 | H21 | H22 | 120.0° | 120.0° |
| O4 | C29 | H21 | H23 | 120.0° | 120.0° |
| O4 | C29 | H22 | H23 | 120.0° | 120.0° |
| O4 | C28 | C27 | H20 | 119.2° | 120.0° |
| O4 | C28 | C27 | N6 | 71.8° | 45.0° |
| O4 | C28 | C27 | C26 | 106.9° | 135.0° |
| C28 | O4 | C29 | H21 | 180.0° | 60.0° |
| C28 | O4 | C29 | H22 | 60.0° | 60.0° |
| C28 | O4 | C29 | H23 | 60.0° | 180.0° |
| O4 | C28 | C30 | H26 | 180.0° | 60.0° |
| O4 | C28 | C30 | H27 | 60.0° | 180.0° |
| O4 | C28 | C30 | H28 | 60.0° | 60.0° |
| C28 | C27 | N6 | C26 | 178.8° | 179.9° |
| C28 | C27 | N6 | C31 | 178.8° | 180.0° |
| C28 | C27 | C26 | C40 | 176.5° | 180.0° |
| C28 | C27 | C26 | C25 | 1.9° | 0.2° |
| C27 | C28 | C30 | H26 | 58.3° | 60.0° |
| C27 | C28 | C30 | H27 | 178.3° | 60.0° |
| C27 | C28 | C30 | H28 | 61.7° | 180.0° |
| C27 | N6 | C31 | C32 | 2.3° | 0.3° |
| N6 | C27 | C26 | C40 | 4.8° | 0.1° |
| N6 | C27 | C26 | C25 | 179.4° | 179.7° |
| N6 | C27 | C28 | H20 | 168.9° | 165.0° |
| C27 | N6 | C31 | H29 | 177.6° | 179.7° |
| C31 | N6 | C27 | C26 | 2.4° | 0.0° |
| N6 | C31 | C32 | H29 | 180.0° | 179.5° |
| N6 | C31 | C32 | N7 | 179.6° | 179.5° |
| N6 | C31 | C32 | C40 | 4.5° | 0.5° |
| C45 | C43 | C46 | C42 | 118.0° | 121.2° |
| C45 | C43 | C46 | O5 | 49.7° | 18.9° |
| C45 | C43 | C42 | C41 | 177.9° | 43.9° |
| C45 | C43 | C42 | H46 | 56.6° | 76.8° |
| C45 | C43 | C42 | H47 | 60.8° | 166.3° |
| C45 | C43 | C44 | H48 | 180.0° | 62.6° |
| C45 | C43 | C44 | H49 | 60.0° | 57.3° |
| C45 | C43 | C44 | H50 | 60.0° | 177.4° |
| C43 | C45 | H51 | H52 | 120.0° | 120.0° |
| C43 | C45 | H51 | H53 | 120.0° | 120.0° |
| C43 | C45 | H52 | H53 | 120.0° | 120.0° |
| C45 | C43 | C46 | H54 | 169.4° | 102.8° |
| C45 | C43 | C46 | H55 | 70.1° | 139.2° |
| O6 | C47 | O5 | C46 | 5.8° | 13.5° |
| O6 | C47 | O5 | C2 | 177.4° | 179.4° |
| O6 | C47 | C2 | C1 | 110.3° | 66.6° |
| O6 | C47 | C2 | N1 | 9.6° | 54.9° |
| O6 | C47 | C2 | H12 | 129.4° | 173.5° |
| C43 | C46 | O5 | H54 | 119.8° | 120.9° |
| C43 | C46 | O5 | H55 | 119.8° | 119.9° |
| C43 | C46 | O5 | C47 | 165.6° | 120.0° |
| C46 | C43 | C42 | C41 | 58.3° | 164.1° |
| C46 | C43 | C42 | H46 | 63.0° | 43.4° |
| C46 | C43 | C42 | H47 | 179.6° | 73.6° |
| C46 | C43 | C44 | H48 | 60.8° | 177.8° |
| C46 | C43 | C44 | H49 | 179.1° | 62.3° |
| C46 | C43 | C44 | H50 | 59.2° | 57.8° |
| C46 | C43 | C45 | H51 | 61.2° | 62.4° |
| C46 | C43 | C45 | H52 | 58.8° | 57.7° |
| C46 | C43 | C45 | H53 | 178.8° | 177.7° |
| C43 | C46 | H54 | H55 | 120.6° | 118.0° |
| O5 | C46 | C43 | C42 | 68.3° | 140.1° |
| C46 | O5 | C47 | C2 | 171.6° | 167.1° |
| O5 | C46 | H54 | H55 | 120.7° | 119.6° |
| C43 | C42 | C41 | H46 | 121.3° | 120.8° |
| C43 | C42 | C41 | H47 | 121.3° | 122.0° |
| C43 | C42 | C41 | C25 | 90.0° | 97.5° |
| C43 | C42 | C41 | C19 | 86.6° | 84.8° |
| C43 | C42 | H46 | H47 | 116.0° | 117.9° |
| C42 | C43 | C44 | H48 | 62.5° | 60.0° |
| C42 | C43 | C44 | H49 | 57.6° | 180.0° |
| C42 | C43 | C44 | H50 | 177.5° | 60.0° |
| C42 | C43 | C45 | H51 | 59.4° | 56.6° |
| C42 | C43 | C45 | H52 | 179.4° | 176.7° |
| C42 | C43 | C45 | H53 | 60.6° | 63.3° |
| C42 | C43 | C46 | H54 | 51.5° | 18.4° |
| C42 | C43 | C46 | H55 | 171.9° | 99.6° |
| C27 | C26 | C40 | C32 | 2.5° | 0.2° |
| C27 | C26 | C40 | C25 | 175.0° | 179.8° |
| C27 | C26 | C25 | C41 | 117.6° | 90.3° |
| C27 | C26 | C25 | N5 | 67.6° | 88.9° |
| C26 | C27 | C28 | H20 | 12.3° | 15.0° |
| C27 | C26 | C40 | H45 | 177.5° | 179.8° |
| C31 | C32 | N7 | C40 | 175.8° | 180.0° |
| C31 | C32 | C40 | C26 | 1.9° | 0.5° |
| C31 | C32 | N7 | C39 | 12.2° | 0.0° |
| C31 | C32 | N7 | C33 | 179.9° | 123.8° |
| C31 | C32 | C40 | H45 | 178.1° | 179.5° |
| O5 | C47 | C2 | C1 | 67.2° | 114.0° |
| O5 | C47 | C2 | N1 | 173.0° | 124.5° |
| O5 | C47 | C2 | H12 | 53.1° | 5.9° |
| C47 | O5 | C46 | H54 | 74.7° | 0.8° |
| C47 | O5 | C46 | H55 | 45.8° | 120.1° |
| C47 | C2 | C1 | C4 | 171.7° | 59.7° |
| C47 | C2 | C1 | N1 | 116.9° | 122.5° |
| C47 | C2 | C1 | H12 | 120.5° | 120.1° |
| C47 | C2 | N1 | H12 | 119.5° | 119.7° |
| C47 | C2 | N1 | N2 | 174.3° | 61.8° |
| C47 | C2 | C1 | H1 | 68.3° | 60.4° |
| C47 | C2 | C1 | H2 | 51.7° | 179.9° |
| C47 | C2 | N1 | H59 | 65.7° | 167.3° |
| C4 | C1 | C2 | H1 | 120.0° | 120.2° |
| C4 | C1 | C2 | H2 | 120.0° | 120.1° |
| C1 | C4 | C3 | H43 | 120.1° | 121.0° |
| C1 | C4 | C3 | H44 | 120.1° | 119.5° |
| C1 | C4 | C3 | N2 | 55.2° | 44.3° |
| C4 | C1 | C2 | N1 | 54.8° | 62.7° |
| C4 | C1 | H1 | H2 | 119.9° | 119.5° |
| C4 | C1 | C2 | H12 | 67.8° | 179.9° |
| C1 | C4 | C3 | H24 | 64.5° | 165.4° |
| C1 | C4 | C3 | H25 | 174.9° | 76.6° |
| C1 | C4 | H43 | H44 | 119.7° | 119.8° |
| C2 | C1 | C4 | C3 | 54.5° | 53.6° |
| C1 | C2 | N1 | H12 | 122.1° | 118.3° |
| C1 | C2 | N1 | N2 | 55.9° | 60.2° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | C4 | H43 | 174.6° | 67.2° |
| C2 | C1 | C4 | H44 | 65.6° | 173.1° |
| C1 | C2 | N1 | H59 | 175.9° | 45.3° |
| C4 | C3 | N2 | H24 | 119.7° | 121.0° |
| C4 | C3 | N2 | H25 | 119.7° | 120.7° |
| C4 | C3 | N2 | N1 | 60.4° | 48.5° |
| C4 | C3 | N2 | C5 | 118.3° | 131.4° |
| C3 | C4 | C1 | H1 | 174.5° | 174.0° |
| C3 | C4 | C1 | H2 | 65.5° | 66.7° |
| C4 | C3 | H24 | H25 | 120.9° | 118.5° |
| C3 | C4 | H43 | H44 | 119.6° | 119.6° |
| C3 | N2 | N1 | C2 | 61.1° | 55.5° |
| C3 | N2 | N1 | C5 | 178.7° | 179.9° |
| C3 | N2 | C5 | O1 | 5.6° | 32.4° |
| C3 | N2 | C5 | C6 | 173.1° | 144.8° |
| N2 | C3 | H24 | H25 | 120.8° | 119.0° |
| N2 | C3 | C4 | H43 | 175.3° | 76.7° |
| N2 | C3 | C4 | H44 | 64.9° | 163.8° |
| C3 | N2 | N1 | H59 | 178.9° | 50.6° |
| N7 | C32 | C40 | C26 | 177.8° | 179.5° |
| C32 | N7 | C39 | C38 | 152.0° | 176.8° |
| C32 | N7 | C39 | C33 | 168.3° | 123.9° |
| C32 | N7 | C33 | C34 | 152.9° | 176.8° |
| N7 | C32 | C31 | H29 | 0.5° | 0.0° |
| C32 | N7 | C33 | H30 | 86.2° | 56.9° |
| C32 | N7 | C33 | H31 | 32.1° | 63.2° |
| C32 | N7 | C39 | H41 | 87.7° | 63.2° |
| C32 | N7 | C39 | H42 | 31.5° | 56.8° |
| N7 | C32 | C40 | H45 | 2.2° | 0.5° |
| C32 | C40 | C26 | H45 | 180.0° | 180.0° |
| C32 | C40 | C26 | C25 | 177.5° | 180.0° |
| C40 | C32 | N7 | C39 | 163.6° | 180.0° |
| C40 | C32 | N7 | C33 | 4.1° | 56.2° |
| C40 | C32 | C31 | H29 | 175.5° | 180.0° |
| C2 | N1 | N2 | H59 | 120.0° | 106.1° |
| C2 | N1 | N2 | C5 | 117.6° | 124.5° |
| N1 | C2 | C1 | H1 | 174.8° | 177.1° |
| N1 | C2 | C1 | H2 | 65.2° | 57.4° |
| N1 | N2 | C5 | O1 | 175.8° | 147.5° |
| N1 | N2 | C5 | C6 | 5.5° | 35.3° |
| N2 | N1 | C2 | H12 | 66.2° | 178.5° |
| N1 | N2 | C3 | H24 | 59.4° | 169.5° |
| N1 | N2 | C3 | H25 | 179.9° | 72.2° |
| C40 | C26 | C25 | C41 | 57.1° | 89.9° |
| C40 | C26 | C25 | N5 | 117.7° | 90.9° |
| C26 | C25 | C41 | C42 | 6.7° | 1.4° |
| C26 | C25 | C41 | N5 | 175.5° | 179.3° |
| C26 | C25 | C41 | C19 | 176.3° | 179.5° |
| C26 | C25 | N5 | C23 | 6.0° | 0.8° |
| C26 | C25 | N5 | C20 | 175.0° | 179.0° |
| C25 | C26 | C40 | H45 | 2.5° | 0.0° |
| C38 | C39 | N7 | H41 | 120.4° | 120.0° |
| C38 | C39 | N7 | H42 | 120.4° | 120.0° |
| C39 | C38 | N8 | H39 | 120.5° | 119.9° |
| C39 | C38 | N8 | H40 | 120.5° | 120.0° |
| C38 | C39 | N7 | C33 | 39.7° | 59.3° |
| C39 | C38 | N8 | C35 | 178.0° | 176.8° |
| C39 | C38 | N8 | C34 | 61.6° | 59.3° |
| C39 | C38 | H39 | H40 | 118.5° | 120.1° |
| C38 | C39 | H41 | H42 | 118.8° | 120.0° |
| N7 | C39 | C38 | N8 | 52.0° | 58.4° |
| C39 | N7 | C33 | C34 | 38.6° | 59.3° |
| C39 | N7 | C33 | H30 | 82.2° | 179.3° |
| C39 | N7 | C33 | H31 | 159.5° | 60.7° |
| N7 | C39 | C38 | H39 | 68.5° | 61.5° |
| N7 | C39 | C38 | H40 | 172.5° | 178.4° |
| N7 | C39 | H41 | H42 | 118.8° | 120.1° |
| C42 | C41 | C25 | C19 | 177.1° | 178.0° |
| C42 | C41 | C25 | N5 | 177.8° | 177.9° |
| C42 | C41 | C19 | C20 | 178.9° | 177.5° |
| C42 | C41 | C19 | C18 | 4.1° | 2.7° |
| C41 | C42 | H46 | H47 | 116.0° | 118.4° |
| C38 | N8 | C35 | C34 | 118.8° | 123.8° |
| C38 | N8 | C35 | C37 | 92.7° | 174.9° |
| C38 | N8 | C35 | C36 | 161.7° | 116.4° |
| C38 | N8 | C34 | C33 | 58.3° | 59.4° |
| C38 | N8 | C34 | H32 | 62.0° | 179.3° |
| C38 | N8 | C34 | H33 | 178.6° | 60.6° |
| C38 | N8 | C35 | H34 | 50.3° | 29.3° |
| N8 | C38 | H39 | H40 | 118.5° | 120.1° |
| N8 | C38 | C39 | H41 | 68.4° | 61.6° |
| N8 | C38 | C39 | H42 | 172.4° | 178.3° |
| N7 | C33 | C34 | N8 | 47.9° | 58.4° |
| N7 | C33 | C34 | H30 | 120.8° | 119.9° |
| N7 | C33 | C34 | H31 | 120.8° | 120.0° |
| N7 | C33 | H30 | H31 | 117.4° | 120.0° |
| N7 | C33 | C34 | H32 | 72.4° | 178.4° |
| N7 | C33 | C34 | H33 | 168.2° | 61.6° |
| C33 | N7 | C39 | H41 | 80.7° | 60.6° |
| C33 | N7 | C39 | H42 | 160.1° | 179.3° |
| N2 | C5 | O1 | C6 | 178.7° | 177.3° |
| N2 | C5 | C6 | N3 | 150.4° | 78.7° |
| N2 | C5 | C6 | C13 | 86.9° | 158.1° |
| C5 | N2 | C3 | H24 | 121.9° | 10.4° |
| C5 | N2 | C3 | H25 | 1.4° | 107.9° |
| N2 | C5 | C6 | H56 | 30.8° | 39.5° |
| C5 | N2 | N1 | H59 | 2.4° | 129.5° |
| C41 | C25 | N5 | C23 | 169.6° | 179.8° |
| C41 | C25 | N5 | C20 | 0.7° | 0.3° |
| C25 | C41 | C19 | C20 | 1.8° | 0.6° |
| C25 | C41 | C19 | C18 | 178.9° | 179.2° |
| C25 | C41 | C42 | H46 | 148.8° | 141.7° |
| C25 | C41 | C42 | H47 | 31.3° | 24.5° |
| N5 | C25 | C41 | C19 | 0.7° | 0.2° |
| C25 | N5 | C23 | C20 | 167.5° | 179.8° |
| C25 | N5 | C20 | C19 | 1.8° | 0.7° |
| C25 | N5 | C23 | C24 | 90.4° | 90.0° |
| C25 | N5 | C20 | C21 | 177.6° | 179.5° |
| C25 | N5 | C23 | H15 | 29.6° | 30.0° |
| C25 | N5 | C23 | H16 | 149.7° | 150.0° |
| C41 | C19 | C20 | N5 | 2.2° | 0.7° |
| C41 | C19 | C20 | C18 | 177.5° | 179.8° |
| C41 | C19 | C20 | C21 | 177.3° | 179.4° |
| C41 | C19 | C18 | C17 | 178.6° | 178.3° |
| C41 | C19 | C18 | H11 | 1.4° | 1.2° |
| C19 | C41 | C42 | H46 | 34.7° | 36.0° |
| C19 | C41 | C42 | H47 | 152.2° | 153.2° |
| O2 | C7 | C8 | C9 | 38.8° | 61.1° |
| O2 | C7 | N3 | C8 | 176.3° | 179.9° |
| O2 | C7 | N3 | C6 | 7.4° | 5.3° |
| O2 | C7 | C8 | C10 | 28.0° | 8.3° |
| O2 | C7 | C8 | H57 | 176.5° | 153.6° |
| O2 | C7 | N3 | H60 | 172.6° | 174.8° |
| C23 | N5 | C20 | C19 | 171.0° | 179.5° |
| N5 | C23 | C24 | H15 | 119.9° | 120.0° |
| N5 | C23 | C24 | H16 | 119.9° | 120.0° |
| C23 | N5 | C20 | C21 | 8.4° | 0.3° |
| N5 | C23 | H15 | H16 | 120.2° | 120.0° |
| N5 | C23 | C24 | H17 | 180.0° | 180.0° |
| N5 | C23 | C24 | H18 | 60.0° | 60.0° |
| N5 | C23 | C24 | H19 | 60.0° | 60.0° |
| N5 | C20 | C19 | C21 | 179.5° | 179.9° |
| N5 | C20 | C19 | C18 | 179.7° | 179.1° |
| C20 | N5 | C23 | C24 | 77.1° | 89.8° |
| N5 | C20 | C21 | C22 | 178.9° | 178.2° |
| N5 | C20 | C21 | H13 | 1.1° | 1.8° |
| C20 | N5 | C23 | H15 | 162.9° | 150.2° |
| C20 | N5 | C23 | H16 | 42.8° | 30.2° |
| C20 | C19 | C18 | C17 | 1.9° | 1.4° |
| C19 | C20 | C21 | C22 | 1.7° | 1.6° |
| C20 | C19 | C18 | H11 | 178.1° | 179.1° |
| C19 | C20 | C21 | H13 | 178.2° | 178.4° |
| C18 | C19 | C20 | C21 | 0.3° | 0.8° |
| C19 | C18 | C17 | H11 | 180.0° | 179.5° |
| C19 | C18 | C17 | C22 | 2.4° | 2.8° |
| C19 | C18 | C17 | C15 | 176.0° | 176.5° |
| C24 | C23 | H15 | H16 | 120.2° | 120.0° |
| C23 | C24 | H17 | H18 | 120.0° | 120.0° |
| C23 | C24 | H17 | H19 | 120.0° | 120.0° |
| C23 | C24 | H18 | H19 | 120.0° | 120.0° |
| N8 | C35 | C37 | C36 | 110.4° | 107.5° |
| N8 | C35 | C37 | H34 | 143.2° | 145.0° |
| N8 | C35 | C36 | H34 | 148.3° | 145.1° |
| C35 | N8 | C34 | C33 | 177.2° | 176.8° |
| C35 | N8 | C34 | H32 | 56.9° | 56.9° |
| C35 | N8 | C34 | H33 | 62.5° | 63.2° |
| N8 | C35 | C36 | H35 | 4.2° | 0.1° |
| N8 | C35 | C36 | H36 | 145.3° | 145.0° |
| N8 | C35 | C37 | H37 | 140.2° | 145.0° |
| N8 | C35 | C37 | H38 | 0.9° | 0.1° |
| C35 | N8 | C38 | H39 | 61.5° | 63.3° |
| C35 | N8 | C38 | H40 | 57.5° | 56.8° |
| C34 | N8 | C35 | C37 | 148.5° | 61.2° |
| C34 | N8 | C35 | C36 | 79.5° | 7.4° |
| N8 | C34 | C33 | H32 | 120.3° | 120.0° |
| N8 | C34 | C33 | H33 | 120.3° | 120.0° |
| N8 | C34 | C33 | H30 | 72.9° | 178.3° |
| N8 | C34 | C33 | H31 | 168.8° | 61.6° |
| N8 | C34 | H32 | H33 | 119.1° | 120.1° |
| C34 | N8 | C35 | H34 | 68.6° | 153.1° |
| C34 | N8 | C38 | H39 | 58.9° | 60.6° |
| C34 | N8 | C38 | H40 | 177.9° | 179.3° |
| O1 | C5 | C6 | N3 | 30.8° | 104.1° |
| O1 | C5 | C6 | C13 | 91.9° | 19.1° |
| O1 | C5 | C6 | H56 | 150.4° | 137.7° |
| C5 | C6 | N3 | C7 | 89.1° | 154.2° |
| C5 | C6 | N3 | C13 | 119.3° | 122.1° |
| C5 | C6 | N3 | H56 | 119.2° | 117.7° |
| C5 | C6 | C13 | H56 | 118.1° | 117.9° |
| C5 | C6 | C13 | C14 | 144.0° | 110.1° |
| C5 | C6 | C13 | H8 | 96.0° | 129.7° |
| C5 | C6 | C13 | H9 | 24.1° | 11.2° |
| C5 | C6 | N3 | H60 | 90.9° | 25.9° |
| C37 | C35 | C36 | H34 | 106.4° | 107.4° |
| C35 | C37 | C36 | H37 | 109.5° | 107.5° |
| C35 | C37 | C36 | H38 | 109.5° | 107.4° |
| C37 | C35 | C36 | H35 | 109.4° | 107.6° |
| C37 | C35 | C36 | H36 | 109.4° | 107.5° |
| C35 | C37 | H37 | H38 | 144.8° | 145.7° |
| C35 | C36 | H35 | H36 | 144.8° | 145.6° |
| C34 | C33 | H30 | H31 | 117.4° | 120.1° |
| C33 | C34 | H32 | H33 | 119.1° | 120.0° |
| C20 | C21 | C22 | H13 | 180.0° | 180.0° |
| C20 | C21 | C22 | C17 | 1.2° | 0.3° |
| C20 | C21 | C22 | H14 | 178.8° | 179.8° |
| C18 | C17 | C22 | C21 | 0.9° | 2.0° |
| C18 | C17 | C22 | C15 | 178.4° | 179.2° |
| C18 | C17 | C15 | N4 | 17.3° | 0.6° |
| C18 | C17 | C15 | C16 | 158.8° | 179.8° |
| C18 | C17 | C22 | H14 | 179.1° | 177.9° |
| C10 | C9 | C12 | C8 | 64.5° | 62.9° |
| C10 | C9 | C12 | H58 | 143.5° | 139.2° |
| C10 | C9 | C8 | H58 | 110.2° | 112.2° |
| C9 | C10 | C8 | C7 | 104.1° | 107.7° |
| C9 | C10 | C8 | C11 | 93.0° | 90.4° |
| C9 | C10 | C8 | H3 | 109.4° | 113.3° |
| C9 | C10 | C11 | H3 | 138.3° | 140.4° |
| C10 | C9 | C12 | O3 | 12.9° | 24.0° |
| C9 | C10 | C11 | O3 | 22.5° | 24.0° |
| C9 | C10 | C11 | H4 | 141.6° | 142.8° |
| C9 | C10 | C11 | H5 | 96.6° | 94.8° |
| C10 | C9 | C12 | H6 | 106.2° | 94.8° |
| C10 | C9 | C12 | H7 | 131.9° | 142.9° |
| C10 | C9 | C8 | H57 | 107.2° | 107.7° |
| C12 | C9 | C8 | H58 | 152.0° | 157.4° |
| C12 | C9 | C8 | C7 | 154.2° | 161.9° |
| C12 | C9 | C10 | C11 | 5.9° | 0.0° |
| C9 | C12 | O3 | H6 | 119.1° | 118.9° |
| C9 | C12 | O3 | H7 | 119.1° | 118.9° |
| C9 | C12 | O3 | C11 | 28.5° | 40.5° |
| C12 | C9 | C10 | H3 | 144.2° | 137.7° |
| C9 | C12 | H6 | H7 | 122.8° | 122.4° |
| C12 | C9 | C8 | H57 | 9.3° | 17.3° |
| C9 | C8 | C7 | N3 | 145.0° | 118.8° |
| C9 | C8 | C7 | H57 | 144.7° | 145.4° |
| C8 | C9 | C12 | O3 | 51.6° | 38.9° |
| C8 | C9 | C12 | H6 | 170.7° | 157.7° |
| C8 | C9 | C12 | H7 | 67.4° | 80.0° |
| C7 | N3 | C6 | H60 | 180.0° | 179.9° |
| C7 | N3 | C6 | C13 | 151.6° | 83.7° |
| N3 | C7 | C8 | C10 | 148.3° | 171.8° |
| C7 | N3 | C6 | H56 | 30.1° | 36.5° |
| N3 | C7 | C8 | H57 | 0.2° | 26.5° |
| C8 | C7 | N3 | C6 | 176.4° | 174.8° |
| C7 | C8 | C10 | H57 | 148.7° | 144.6° |
| C7 | C8 | C10 | C11 | 162.9° | 161.9° |
| C7 | C8 | C10 | H3 | 5.3° | 5.5° |
| C7 | C8 | C9 | H58 | 2.3° | 4.5° |
| C8 | C7 | N3 | H60 | 3.6° | 5.1° |
| C37 | C36 | H35 | H36 | 144.8° | 145.7° |
| C36 | C37 | H37 | H38 | 144.7° | 145.7° |
| N3 | C6 | C13 | H56 | 122.2° | 120.0° |
| N3 | C6 | C13 | C14 | 96.3° | 12.1° |
| N3 | C6 | C13 | H8 | 23.7° | 108.2° |
| N3 | C6 | C13 | H9 | 143.8° | 133.3° |
| C6 | C13 | C14 | N4 | 122.5° | 42.3° |
| C6 | C13 | C14 | H8 | 119.9° | 120.5° |
| C6 | C13 | C14 | H9 | 119.9° | 121.6° |
| C6 | C13 | C14 | S1 | 57.2° | 138.9° |
| C6 | C13 | H8 | H9 | 120.2° | 119.5° |
| C13 | C6 | N3 | H60 | 28.4° | 96.2° |
| C21 | C22 | C17 | H14 | 180.0° | 179.9° |
| C21 | C22 | C17 | C15 | 177.5° | 177.2° |
| C8 | C10 | C11 | H3 | 157.6° | 156.8° |
| C8 | C10 | C11 | O3 | 41.6° | 38.9° |
| C8 | C10 | C11 | H4 | 77.5° | 79.9° |
| C8 | C10 | C11 | H5 | 160.7° | 157.6° |
| C10 | C11 | O3 | C12 | 32.5° | 40.5° |
| C10 | C11 | O3 | H4 | 119.1° | 118.8° |
| C10 | C11 | O3 | H5 | 119.1° | 118.8° |
| C10 | C11 | H4 | H5 | 122.6° | 122.4° |
| C11 | C10 | C8 | H57 | 14.2° | 17.3° |
| C11 | C10 | C9 | H58 | 137.5° | 136.7° |
| C22 | C17 | C15 | N4 | 164.3° | 178.6° |
| C22 | C17 | C15 | C16 | 19.6° | 1.0° |
| C22 | C17 | C18 | H11 | 177.5° | 177.7° |
| C17 | C22 | C21 | H13 | 178.8° | 179.8° |
| C17 | C15 | N4 | C16 | 176.5° | 179.6° |
| C17 | C15 | N4 | C14 | 172.6° | 176.3° |
| C17 | C15 | C16 | S1 | 171.9° | 178.1° |
| C17 | C15 | C16 | H10 | 8.1° | 2.1° |
| C15 | C17 | C18 | H11 | 4.0° | 3.0° |
| C15 | C17 | C22 | H14 | 2.5° | 2.8° |
| C12 | O3 | C11 | H4 | 151.6° | 159.3° |
| C12 | O3 | C11 | H5 | 86.5° | 78.3° |
| O3 | C12 | H6 | H7 | 122.7° | 122.2° |
| O3 | C12 | C9 | H58 | 156.4° | 163.2° |
| C15 | N4 | C14 | C13 | 178.0° | 177.7° |
| C15 | N4 | C14 | S1 | 1.7° | 3.4° |
| N4 | C15 | C16 | S1 | 4.2° | 1.5° |
| N4 | C15 | C16 | H10 | 175.8° | 178.3° |
| C14 | N4 | C15 | C16 | 3.9° | 3.3° |
| N4 | C14 | C13 | S1 | 179.7° | 178.7° |
| N4 | C14 | S1 | C16 | 0.6° | 2.0° |
| N4 | C14 | C13 | H8 | 117.6° | 162.8° |
| N4 | C14 | C13 | H9 | 2.6° | 79.3° |
| C15 | C16 | S1 | C14 | 2.7° | 0.2° |
| C15 | C16 | S1 | H10 | 180.0° | 179.8° |
| C13 | C14 | S1 | C16 | 179.7° | 179.1° |
| C14 | C13 | H8 | H9 | 120.2° | 118.6° |
| C14 | C13 | C6 | H56 | 26.0° | 132.0° |
| S1 | C14 | C13 | H8 | 62.7° | 18.4° |
| S1 | C14 | C13 | H9 | 177.1° | 99.5° |
| C14 | S1 | C16 | H10 | 177.3° | 179.9° |
| O3 | C11 | C10 | H3 | 160.9° | 164.4° |
| O3 | C11 | H4 | H5 | 122.6° | 122.3° |
| C11 | O3 | C12 | H6 | 90.5° | 78.3° |
| C11 | O3 | C12 | H7 | 147.6° | 159.4° |
| H1 | C1 | C2 | H12 | 52.2° | 59.7° |
| H1 | C1 | C4 | H43 | 65.3° | 53.1° |
| H1 | C1 | C4 | H44 | 54.4° | 66.6° |
| H2 | C1 | C2 | H12 | 172.2° | 60.0° |
| H2 | C1 | C4 | H43 | 54.6° | 172.5° |
| H2 | C1 | C4 | H44 | 174.4° | 52.8° |
| H3 | C10 | C11 | H4 | 80.0° | 76.8° |
| H3 | C10 | C11 | H5 | 41.8° | 45.6° |
| H3 | C10 | C8 | H57 | 143.3° | 139.1° |
| H3 | C10 | C9 | H58 | 0.7° | 1.0° |
| H6 | C12 | C9 | H58 | 37.4° | 44.3° |
| H7 | C12 | C9 | H58 | 84.5° | 78.0° |
| H8 | C13 | C6 | H56 | 145.9° | 11.8° |
| H9 | C13 | C6 | H56 | 94.0° | 106.7° |
| H12 | C2 | N1 | H59 | 53.8° | 73.0° |
| H13 | C21 | C22 | H14 | 1.2° | 0.1° |
| H15 | C23 | C24 | H17 | 60.1° | 60.0° |
| H15 | C23 | C24 | H18 | 179.9° | 60.0° |
| H15 | C23 | C24 | H19 | 60.0° | 180.0° |
| H16 | C23 | C24 | H17 | 60.1° | 60.0° |
| H16 | C23 | C24 | H18 | 59.9° | 180.0° |
| H16 | C23 | C24 | H19 | 179.9° | 60.0° |
| H17 | C24 | H18 | H19 | 120.0° | 120.0° |
| H20 | C28 | C30 | H26 | 61.6° | 180.0° |
| H20 | C28 | C30 | H27 | 58.4° | 60.0° |
| H20 | C28 | C30 | H28 | 178.4° | 59.9° |
| H21 | C29 | H22 | H23 | 120.0° | 120.0° |
| H24 | C3 | C4 | H43 | 55.6° | 44.4° |
| H24 | C3 | C4 | H44 | 175.4° | 75.1° |
| H25 | C3 | C4 | H43 | 65.0° | 162.4° |
| H25 | C3 | C4 | H44 | 54.8° | 42.9° |
| H26 | C30 | H27 | H28 | 120.0° | 120.1° |
| H30 | C33 | C34 | H32 | 166.8° | 61.7° |
| H30 | C33 | C34 | H33 | 47.4° | 58.3° |
| H31 | C33 | C34 | H32 | 48.5° | 58.4° |
| H31 | C33 | C34 | H33 | 70.9° | 178.4° |
| H34 | C35 | C36 | H35 | 144.1° | 145.0° |
| H34 | C35 | C36 | H36 | 3.0° | 0.1° |
| H34 | C35 | C37 | H37 | 3.0° | 0.0° |
| H34 | C35 | C37 | H38 | 144.2° | 145.0° |
| H35 | C36 | C37 | H37 | 141.1° | 145.0° |
| H35 | C36 | C37 | H38 | 0.0° | 0.0° |
| H36 | C36 | C37 | H37 | 0.1° | 0.0° |
| H36 | C36 | C37 | H38 | 141.1° | 145.1° |
| H39 | C38 | C39 | H41 | 171.2° | 178.5° |
| H39 | C38 | C39 | H42 | 51.9° | 58.5° |
| H40 | C38 | C39 | H41 | 52.1° | 58.4° |
| H40 | C38 | C39 | H42 | 67.1° | 61.6° |
| H48 | C44 | H49 | H50 | 120.0° | 120.0° |
| H51 | C45 | H52 | H53 | 120.0° | 120.0° |
| H56 | C6 | N3 | H60 | 149.9° | 143.6° |
| H57 | C8 | C9 | H58 | 142.6° | 140.1° |
