DGZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | trip | 1.17Å | 1.32Å | |
| N1 | C6 | sing | 1.35Å | 1.33Å | |
| N1 | C7 | sing | 1.47Å | 1.45Å | |
| O1 | C6 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.47Å | 1.51Å | |
| N2 | C11 | sing | 1.46Å | 1.45Å | |
| N2 | C12 | sing | 1.35Å | 1.33Å | |
| O2 | C12 | doub | 1.21Å | 1.22Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| N3 | C13 | sing | 1.47Å | 1.46Å | |
| N3 | C28 | sing | 1.35Å | 1.33Å | |
| O3 | C19 | doub | 1.21Å | 1.22Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| N4 | C33 | sing | 1.46Å | 1.45Å | |
| N4 | C34 | sing | 1.35Å | 1.33Å | |
| O4 | C28 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| N5 | C35 | sing | 1.46Å | 1.44Å | |
| N5 | C47 | sing | 1.35Å | 1.33Å | |
| O5 | C29 | sing | 1.43Å | 1.43Å | |
| O5 | C30 | sing | 1.43Å | 1.43Å | |
| N6 | C49 | sing | 1.47Å | 1.45Å | |
| O6 | C31 | sing | 1.43Å | 1.42Å | |
| O6 | C32 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| N7 | C57 | sing | 1.35Å | 1.34Å | |
| O7 | C34 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| O8 | C47 | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| O9 | C48 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| O10 | C57 | doub | 1.21Å | 1.22Å | |
| C11 | C57 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.50Å | |
| C18 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.48Å | 1.51Å | |
| C20 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.51Å | 1.50Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C36 | C37 | sing | 1.51Å | 1.51Å | |
| C37 | C38 | doub | 1.39Å | 1.40Å | Aromatic |
| C37 | C46 | sing | 1.36Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.36Å | 1.40Å | Aromatic |
| C39 | C40 | doub | 1.41Å | 1.39Å | Aromatic |
| C40 | C41 | sing | 1.41Å | 1.40Å | Aromatic |
| C40 | C45 | sing | 1.42Å | 1.40Å | Aromatic |
| C41 | C42 | doub | 1.36Å | 1.40Å | Aromatic |
| C42 | C43 | sing | 1.39Å | 1.40Å | Aromatic |
| C43 | C44 | doub | 1.36Å | 1.40Å | Aromatic |
| C44 | C45 | sing | 1.41Å | 1.40Å | Aromatic |
| C45 | C46 | doub | 1.40Å | 1.40Å | Aromatic |
| C47 | C48 | sing | 1.51Å | 1.49Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C49 | C50 | sing | 1.53Å | 1.53Å | |
| C50 | C51 | sing | 1.51Å | 1.51Å | |
| C51 | C52 | doub | 1.38Å | 1.40Å | Aromatic |
| C51 | C56 | sing | 1.38Å | 1.40Å | Aromatic |
| C52 | C53 | sing | 1.38Å | 1.41Å | Aromatic |
| C53 | C54 | doub | 1.38Å | 1.40Å | Aromatic |
| C54 | C55 | sing | 1.38Å | 1.40Å | Aromatic |
| C55 | C56 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.05Å | 1.06Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| N6 | HN6 | sing | 1.01Å | 1.00Å | |
| N6 | HN6A | sing | 1.01Å | 1.00Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| N7 | HN7A | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.08Å | 1.08Å | |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C56 | H56 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 120.8° | 180.0° |
| C2 | C1 | H1 | 180.0° | 180.0° |
| C6 | N1 | C7 | 124.8° | 120.0° |
| N1 | C6 | O1 | 123.1° | 120.0° |
| N1 | C6 | C5 | 115.3° | 120.0° |
| C6 | N1 | HN1 | 117.6° | 120.1° |
| N1 | C7 | C8 | 111.2° | 109.5° |
| C7 | N1 | HN1 | 117.6° | 119.9° |
| N1 | C7 | H7 | 108.9° | 109.4° |
| N1 | C7 | H7A | 108.9° | 109.5° |
| O1 | C6 | C5 | 121.6° | 120.0° |
| C2 | C3 | C4 | 109.6° | 109.5° |
| C2 | C3 | H3 | 109.4° | 109.5° |
| C2 | C3 | H3A | 109.4° | 109.4° |
| C11 | N2 | C12 | 122.7° | 120.0° |
| N2 | C11 | C10 | 109.7° | 109.4° |
| N2 | C11 | C57 | 113.7° | 109.5° |
| C11 | N2 | HN2 | 118.6° | 120.0° |
| N2 | C11 | H11 | 107.1° | 109.5° |
| N2 | C12 | O2 | 123.3° | 120.0° |
| N2 | C12 | C13 | 117.6° | 120.0° |
| C12 | N2 | HN2 | 118.7° | 120.0° |
| O2 | C12 | C13 | 119.1° | 120.0° |
| C3 | C4 | C5 | 111.6° | 109.5° |
| C4 | C3 | H3 | 109.5° | 109.5° |
| C4 | C3 | H3A | 109.4° | 109.5° |
| C3 | C4 | H4 | 108.8° | 109.5° |
| C3 | C4 | H4A | 108.8° | 109.5° |
| C13 | N3 | C28 | 126.5° | 120.0° |
| N3 | C13 | C12 | 115.7° | 109.5° |
| N3 | C13 | C14 | 109.5° | 109.5° |
| C13 | N3 | HN3 | 116.7° | 120.0° |
| N3 | C13 | H13 | 104.4° | 109.5° |
| N3 | C28 | O4 | 122.3° | 120.0° |
| N3 | C28 | C29 | 116.9° | 120.0° |
| C28 | N3 | HN3 | 116.7° | 120.0° |
| O3 | C19 | C18 | 117.4° | 120.1° |
| O3 | C19 | C20 | 120.8° | 120.0° |
| C4 | C5 | C6 | 112.4° | 109.5° |
| C5 | C4 | H4 | 108.8° | 109.5° |
| C5 | C4 | H4A | 108.7° | 109.5° |
| C4 | C5 | H5 | 108.5° | 109.5° |
| C4 | C5 | H5A | 108.5° | 109.4° |
| C33 | N4 | C34 | 123.0° | 120.0° |
| N4 | C33 | C32 | 112.8° | 109.5° |
| C33 | N4 | HN4 | 118.5° | 120.0° |
| N4 | C33 | H33 | 108.4° | 109.5° |
| N4 | C33 | H33A | 108.4° | 109.5° |
| N4 | C34 | O7 | 123.9° | 120.0° |
| N4 | C34 | C35 | 115.6° | 120.0° |
| C34 | N4 | HN4 | 118.5° | 120.0° |
| O4 | C28 | C29 | 120.8° | 120.0° |
| C6 | C5 | H5 | 108.5° | 109.5° |
| C6 | C5 | H5A | 108.5° | 109.5° |
| C35 | N5 | C47 | 121.8° | 120.0° |
| N5 | C35 | C34 | 107.4° | 109.5° |
| N5 | C35 | C36 | 110.5° | 109.5° |
| C35 | N5 | HN5 | 119.1° | 120.0° |
| N5 | C35 | H35 | 110.9° | 109.5° |
| N5 | C47 | O8 | 125.6° | 120.0° |
| N5 | C47 | C48 | 114.6° | 120.0° |
| C47 | N5 | HN5 | 119.1° | 120.0° |
| C29 | O5 | C30 | 113.8° | 113.9° |
| O5 | C29 | C28 | 112.8° | 109.4° |
| O5 | C29 | H29 | 108.4° | 109.5° |
| O5 | C29 | H29A | 108.4° | 109.5° |
| O5 | C30 | C31 | 110.8° | 109.4° |
| O5 | C30 | H30 | 109.0° | 109.5° |
| O5 | C30 | H30A | 109.0° | 109.5° |
| N6 | C49 | C48 | 109.2° | 109.4° |
| N6 | C49 | C50 | 106.8° | 109.5° |
| C49 | N6 | HN6 | 109.5° | 111.0° |
| C49 | N6 | HN6A | 109.5° | 111.0° |
| N6 | C49 | H49 | 110.8° | 109.5° |
| C31 | O6 | C32 | 109.6° | 114.0° |
| O6 | C31 | C30 | 109.0° | 109.5° |
| O6 | C31 | H31 | 109.6° | 109.5° |
| O6 | C31 | H31A | 109.6° | 109.4° |
| O6 | C32 | C33 | 111.8° | 109.5° |
| O6 | C32 | H32 | 108.7° | 109.5° |
| O6 | C32 | H32A | 108.7° | 109.5° |
| C7 | C8 | C9 | 112.4° | 109.5° |
| C8 | C7 | H7 | 108.9° | 109.5° |
| C8 | C7 | H7A | 108.9° | 109.5° |
| C7 | C8 | H8 | 108.5° | 109.5° |
| C7 | C8 | H8A | 108.5° | 109.5° |
| N7 | C57 | O10 | 121.8° | 120.0° |
| N7 | C57 | C11 | 119.5° | 120.0° |
| C57 | N7 | HN7 | 120.0° | 120.0° |
| C57 | N7 | HN7A | 120.0° | 120.0° |
| O7 | C34 | C35 | 120.3° | 119.9° |
| C8 | C9 | C10 | 111.1° | 109.5° |
| C9 | C8 | H8 | 108.5° | 109.4° |
| C9 | C8 | H8A | 108.5° | 109.5° |
| C8 | C9 | H9 | 109.0° | 109.4° |
| C8 | C9 | H9A | 108.9° | 109.5° |
| O8 | C47 | C48 | 119.7° | 120.0° |
| C9 | C10 | C11 | 110.7° | 109.5° |
| C10 | C9 | H9 | 108.9° | 109.5° |
| C10 | C9 | H9A | 108.9° | 109.5° |
| C9 | C10 | H10 | 109.1° | 109.5° |
| C9 | C10 | H10A | 109.1° | 109.5° |
| O9 | C48 | C47 | 105.8° | 109.5° |
| O9 | C48 | C49 | 115.2° | 109.5° |
| C48 | O9 | HO9 | 109.5° | 114.0° |
| O9 | C48 | H48 | 108.0° | 109.5° |
| C10 | C11 | C57 | 111.5° | 109.5° |
| C11 | C10 | H10 | 109.1° | 109.4° |
| C11 | C10 | H10A | 109.0° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| O10 | C57 | C11 | 118.7° | 120.0° |
| C57 | C11 | H11 | 105.1° | 109.5° |
| C12 | C13 | C14 | 107.3° | 109.5° |
| C12 | C13 | H13 | 106.7° | 109.5° |
| C13 | C14 | C15 | 110.6° | 109.5° |
| C14 | C13 | H13 | 113.3° | 109.5° |
| C13 | C14 | H14 | 109.1° | 109.5° |
| C13 | C14 | H14A | 109.1° | 109.5° |
| C14 | C15 | C16 | 121.1° | 119.8° |
| C14 | C15 | C27 | 119.3° | 119.9° |
| C15 | C14 | H14 | 109.1° | 109.4° |
| C15 | C14 | H14A | 109.1° | 109.5° |
| C16 | C15 | C27 | 119.6° | 120.3° |
| C15 | C16 | C17 | 120.1° | 120.1° |
| C15 | C16 | H16 | 119.9° | 119.9° |
| C15 | C27 | C26 | 120.1° | 120.2° |
| C15 | C27 | H27 | 119.9° | 119.9° |
| C16 | C17 | C18 | 119.8° | 119.9° |
| C17 | C16 | H16 | 119.9° | 119.9° |
| C16 | C17 | H17 | 120.1° | 120.1° |
| C17 | C18 | C19 | 121.6° | 120.2° |
| C17 | C18 | C26 | 120.1° | 119.7° |
| C18 | C17 | H17 | 120.1° | 120.0° |
| C19 | C18 | C26 | 118.2° | 120.2° |
| C18 | C19 | C20 | 121.8° | 119.9° |
| C18 | C26 | C27 | 120.2° | 119.8° |
| C18 | C26 | H26 | 119.9° | 120.1° |
| C19 | C20 | C21 | 120.7° | 120.1° |
| C19 | C20 | C25 | 120.3° | 120.2° |
| C21 | C20 | C25 | 119.0° | 119.7° |
| C20 | C21 | C22 | 121.2° | 119.8° |
| C20 | C21 | H21 | 119.4° | 120.1° |
| C20 | C25 | C24 | 120.1° | 119.8° |
| C20 | C25 | H25 | 120.0° | 120.1° |
| C21 | C22 | C23 | 119.2° | 120.2° |
| C22 | C21 | H21 | 119.4° | 120.1° |
| C21 | C22 | H22 | 120.4° | 119.9° |
| C22 | C23 | C24 | 120.0° | 120.3° |
| C23 | C22 | H22 | 120.4° | 119.9° |
| C22 | C23 | H23 | 120.0° | 119.8° |
| C23 | C24 | C25 | 120.5° | 120.2° |
| C24 | C23 | H23 | 120.1° | 119.8° |
| C23 | C24 | H24 | 119.8° | 119.9° |
| C25 | C24 | H24 | 119.8° | 119.9° |
| C24 | C25 | H25 | 119.9° | 120.1° |
| C27 | C26 | H26 | 119.9° | 120.1° |
| C26 | C27 | H27 | 119.9° | 119.9° |
| C28 | C29 | H29 | 108.4° | 109.5° |
| C28 | C29 | H29A | 108.4° | 109.5° |
| C31 | C30 | H30 | 109.0° | 109.5° |
| C31 | C30 | H30A | 109.0° | 109.5° |
| C30 | C31 | H31 | 109.6° | 109.5° |
| C30 | C31 | H31A | 109.6° | 109.5° |
| C33 | C32 | H32 | 108.7° | 109.4° |
| C33 | C32 | H32A | 108.7° | 109.5° |
| C32 | C33 | H33 | 108.4° | 109.4° |
| C32 | C33 | H33A | 108.4° | 109.5° |
| C34 | C35 | C36 | 111.7° | 109.5° |
| C34 | C35 | H35 | 109.8° | 109.4° |
| C35 | C36 | C37 | 109.2° | 109.5° |
| C36 | C35 | H35 | 106.6° | 109.5° |
| C35 | C36 | H36 | 109.5° | 109.4° |
| C35 | C36 | H36A | 109.5° | 109.4° |
| C36 | C37 | C38 | 120.6° | 119.5° |
| C36 | C37 | C46 | 119.0° | 119.5° |
| C37 | C36 | H36 | 109.6° | 109.5° |
| C37 | C36 | H36A | 109.5° | 109.5° |
| C38 | C37 | C46 | 120.4° | 120.9° |
| C37 | C38 | C39 | 119.7° | 121.1° |
| C37 | C38 | H38 | 120.1° | 119.5° |
| C37 | C46 | C45 | 119.6° | 119.6° |
| C37 | C46 | H46 | 120.2° | 120.2° |
| C38 | C39 | C40 | 120.0° | 119.6° |
| C39 | C38 | H38 | 120.1° | 119.4° |
| C38 | C39 | H39 | 120.0° | 120.2° |
| C39 | C40 | C41 | 119.8° | 121.3° |
| C39 | C40 | C45 | 120.2° | 119.4° |
| C40 | C39 | H39 | 120.0° | 120.2° |
| C41 | C40 | C45 | 120.1° | 119.4° |
| C40 | C41 | C42 | 119.9° | 119.7° |
| C40 | C41 | H41 | 120.1° | 120.2° |
| C40 | C45 | C44 | 119.9° | 119.3° |
| C40 | C45 | C46 | 120.0° | 119.4° |
| C41 | C42 | C43 | 120.0° | 121.0° |
| C42 | C41 | H41 | 120.0° | 120.1° |
| C41 | C42 | H42 | 120.0° | 119.5° |
| C42 | C43 | C44 | 120.1° | 121.0° |
| C43 | C42 | H42 | 120.0° | 119.5° |
| C42 | C43 | H43 | 120.0° | 119.4° |
| C43 | C44 | C45 | 120.0° | 119.6° |
| C44 | C43 | H43 | 120.0° | 119.5° |
| C43 | C44 | H44 | 120.0° | 120.2° |
| C44 | C45 | C46 | 120.2° | 121.3° |
| C45 | C44 | H44 | 120.0° | 120.2° |
| C45 | C46 | H46 | 120.2° | 120.2° |
| C47 | C48 | C49 | 108.9° | 109.5° |
| C47 | C48 | H48 | 114.4° | 109.5° |
| C48 | C49 | C50 | 107.8° | 109.5° |
| C49 | C48 | H48 | 104.8° | 109.4° |
| C48 | C49 | H49 | 109.9° | 109.5° |
| C49 | C50 | C51 | 113.0° | 109.5° |
| C50 | C49 | H49 | 112.2° | 109.5° |
| C49 | C50 | H50 | 108.3° | 109.5° |
| C49 | C50 | H50A | 108.3° | 109.5° |
| C50 | C51 | C52 | 119.8° | 120.0° |
| C50 | C51 | C56 | 120.1° | 120.0° |
| C51 | C50 | H50 | 108.3° | 109.5° |
| C51 | C50 | H50A | 108.3° | 109.4° |
| C52 | C51 | C56 | 119.9° | 120.0° |
| C51 | C52 | C53 | 120.3° | 120.0° |
| C51 | C52 | H52 | 119.9° | 120.0° |
| C51 | C56 | C55 | 119.7° | 120.0° |
| C51 | C56 | H56 | 120.1° | 120.0° |
| C52 | C53 | C54 | 119.5° | 120.0° |
| C53 | C52 | H52 | 119.8° | 120.0° |
| C52 | C53 | H53 | 120.2° | 120.0° |
| C53 | C54 | C55 | 120.1° | 120.0° |
| C54 | C53 | H53 | 120.3° | 120.0° |
| C53 | C54 | H54 | 119.9° | 120.0° |
| C54 | C55 | C56 | 120.3° | 120.0° |
| C55 | C54 | H54 | 119.9° | 120.0° |
| C54 | C55 | H55 | 119.8° | 120.1° |
| C56 | C55 | H55 | 119.8° | 119.9° |
| C55 | C56 | H56 | 120.1° | 120.0° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| H4 | C4 | H4A | 110.1° | 109.4° |
| H5 | C5 | H5A | 110.4° | 109.5° |
| HN6 | N6 | HN6A | 109.5° | 111.0° |
| H7 | C7 | H7A | 110.1° | 109.5° |
| HN7 | N7 | HN7A | 120.0° | 120.0° |
| H8 | C8 | H8A | 110.4° | 109.5° |
| H9 | C9 | H9A | 110.0° | 109.5° |
| H10 | C10 | H10A | 109.8° | 109.5° |
| H14 | C14 | H14A | 109.8° | 109.5° |
| H29 | C29 | H29A | 110.5° | 109.4° |
| H30 | C30 | H30A | 109.9° | 109.5° |
| H31 | C31 | H31A | 109.4° | 109.4° |
| H32 | C32 | H32A | 110.2° | 109.5° |
| H33 | C33 | H33A | 110.5° | 109.4° |
| H36 | C36 | H36A | 109.4° | 109.4° |
| H50 | C50 | H50A | 110.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 119.6° | 179.2° |
| C1 | C2 | C3 | H3 | 0.4° | 60.8° |
| C1 | C2 | C3 | H3A | 120.4° | 59.2° |
| C6 | N1 | C7 | HN1 | 180.0° | 179.7° |
| N1 | C6 | O1 | C5 | 179.6° | 180.0° |
| N1 | C6 | C5 | C4 | 164.8° | 180.0° |
| C6 | N1 | C7 | C8 | 161.5° | 180.0° |
| N1 | C6 | C5 | H5 | 44.8° | 60.0° |
| N1 | C6 | C5 | H5A | 75.2° | 60.0° |
| C6 | N1 | C7 | H7 | 78.5° | 60.0° |
| C6 | N1 | C7 | H7A | 41.5° | 60.0° |
| C7 | N1 | C6 | O1 | 0.1° | 0.0° |
| C7 | N1 | C6 | C5 | 179.7° | 180.0° |
| N1 | C7 | C8 | H7 | 120.0° | 119.9° |
| N1 | C7 | C8 | H7A | 120.0° | 120.0° |
| N1 | C7 | C8 | C9 | 139.7° | 180.0° |
| N1 | C7 | H7 | H7A | 119.3° | 120.0° |
| N1 | C7 | C8 | H8 | 100.4° | 60.1° |
| N1 | C7 | C8 | H8A | 19.6° | 59.9° |
| O1 | C6 | C5 | C4 | 15.6° | 0.0° |
| O1 | C6 | N1 | HN1 | 179.9° | 179.8° |
| O1 | C6 | C5 | H5 | 135.6° | 120.0° |
| O1 | C6 | C5 | H5A | 104.4° | 120.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 120.0° | 120.0° |
| C2 | C3 | C4 | C5 | 135.3° | 180.0° |
| C3 | C2 | C1 | H1 | 135.1° | 141.5° |
| C2 | C3 | H3 | H3A | 119.9° | 120.0° |
| C2 | C3 | C4 | H4 | 15.3° | 60.0° |
| C2 | C3 | C4 | H4A | 104.7° | 60.0° |
| C11 | N2 | C12 | HN2 | 180.0° | 180.0° |
| C11 | N2 | C12 | O2 | 0.3° | 0.0° |
| N2 | C11 | C57 | N7 | 41.3° | 180.0° |
| N2 | C11 | C10 | C9 | 74.2° | 65.1° |
| N2 | C11 | C10 | C57 | 126.8° | 120.0° |
| N2 | C11 | C10 | H11 | 117.3° | 120.0° |
| N2 | C11 | C57 | O10 | 138.5° | 0.0° |
| N2 | C11 | C57 | H11 | 116.8° | 120.0° |
| C11 | N2 | C12 | C13 | 178.4° | 180.0° |
| N2 | C11 | C10 | H10 | 165.7° | 175.0° |
| N2 | C11 | C10 | H10A | 45.8° | 55.0° |
| N2 | C12 | O2 | C13 | 178.1° | 180.0° |
| N2 | C12 | C13 | N3 | 2.6° | 180.0° |
| C12 | N2 | C11 | C10 | 153.3° | 155.0° |
| C12 | N2 | C11 | C57 | 81.1° | 85.0° |
| N2 | C12 | C13 | C14 | 119.9° | 60.0° |
| C12 | N2 | C11 | H11 | 34.5° | 35.0° |
| N2 | C12 | C13 | H13 | 118.3° | 60.0° |
| O2 | C12 | C13 | N3 | 179.1° | 0.0° |
| O2 | C12 | C13 | C14 | 58.3° | 120.0° |
| O2 | C12 | N2 | HN2 | 179.7° | 179.9° |
| O2 | C12 | C13 | H13 | 63.4° | 120.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 110.1° | 180.0° |
| C4 | C3 | H3 | H3A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4A | 119.2° | 120.0° |
| C3 | C4 | C5 | H5 | 9.8° | 60.0° |
| C3 | C4 | C5 | H5A | 129.9° | 60.0° |
| C13 | N3 | C28 | HN3 | 180.0° | 179.9° |
| C13 | N3 | C28 | O4 | 2.3° | 0.1° |
| N3 | C13 | C12 | C14 | 122.6° | 120.0° |
| N3 | C13 | C12 | H13 | 115.7° | 120.0° |
| N3 | C13 | C14 | H13 | 116.1° | 120.0° |
| N3 | C13 | C14 | C15 | 52.9° | 65.0° |
| C13 | N3 | C28 | C29 | 179.5° | 180.0° |
| N3 | C13 | C14 | H14 | 172.8° | 55.0° |
| N3 | C13 | C14 | H14A | 67.1° | 175.0° |
| N3 | C28 | O4 | C29 | 178.1° | 179.9° |
| N3 | C28 | C29 | O5 | 55.9° | 180.0° |
| C28 | N3 | C13 | C12 | 81.0° | 154.9° |
| C28 | N3 | C13 | C14 | 157.5° | 85.0° |
| C28 | N3 | C13 | H13 | 35.9° | 34.9° |
| N3 | C28 | C29 | H29 | 64.1° | 59.9° |
| N3 | C28 | C29 | H29A | 175.9° | 60.0° |
| O3 | C19 | C18 | C17 | 117.1° | 33.8° |
| O3 | C19 | C18 | C20 | 179.2° | 180.0° |
| O3 | C19 | C18 | C26 | 59.7° | 146.2° |
| O3 | C19 | C20 | C21 | 36.8° | 7.5° |
| O3 | C19 | C20 | C25 | 141.6° | 172.2° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 120.0° | 120.0° |
| C5 | C4 | C3 | H3 | 104.7° | 60.0° |
| C5 | C4 | C3 | H3A | 15.3° | 60.0° |
| C5 | C4 | H4 | H4A | 119.1° | 120.0° |
| C4 | C5 | H5 | H5A | 118.8° | 120.0° |
| C33 | N4 | C34 | HN4 | 180.0° | 180.0° |
| N4 | C33 | C32 | O6 | 35.2° | 65.0° |
| C33 | N4 | C34 | O7 | 2.9° | 0.0° |
| N4 | C33 | C32 | H33 | 120.0° | 120.0° |
| N4 | C33 | C32 | H33A | 120.0° | 120.1° |
| C33 | N4 | C34 | C35 | 179.2° | 180.0° |
| N4 | C33 | C32 | H32 | 84.8° | 55.0° |
| N4 | C33 | C32 | H32A | 155.2° | 175.0° |
| N4 | C33 | H33 | H33A | 118.7° | 120.0° |
| N4 | C34 | C35 | N5 | 123.1° | 180.0° |
| N4 | C34 | O7 | C35 | 176.1° | 180.0° |
| C34 | N4 | C33 | C32 | 120.9° | 180.0° |
| N4 | C34 | C35 | C36 | 115.5° | 60.0° |
| C34 | N4 | C33 | H33 | 0.9° | 60.0° |
| C34 | N4 | C33 | H33A | 119.1° | 60.0° |
| N4 | C34 | C35 | H35 | 2.4° | 60.0° |
| O4 | C28 | C29 | O5 | 125.9° | 0.0° |
| O4 | C28 | N3 | HN3 | 177.6° | 180.0° |
| O4 | C28 | C29 | H29 | 114.1° | 120.0° |
| O4 | C28 | C29 | H29A | 5.9° | 120.0° |
| C5 | C6 | N1 | HN1 | 0.2° | 0.3° |
| C6 | C5 | C4 | H4 | 129.9° | 60.0° |
| C6 | C5 | C4 | H4A | 9.9° | 60.0° |
| C6 | C5 | H5 | H5A | 118.8° | 120.0° |
| C35 | N5 | C47 | HN5 | 180.0° | 180.0° |
| N5 | C35 | C34 | O7 | 53.4° | 0.0° |
| C35 | N5 | C47 | O8 | 5.1° | 0.1° |
| N5 | C35 | C34 | C36 | 121.4° | 120.0° |
| N5 | C35 | C34 | H35 | 120.7° | 120.0° |
| N5 | C35 | C36 | H35 | 120.6° | 120.0° |
| N5 | C35 | C36 | C37 | 159.7° | 65.0° |
| C35 | N5 | C47 | C48 | 178.5° | 180.0° |
| N5 | C35 | C36 | H36 | 39.6° | 55.0° |
| N5 | C35 | C36 | H36A | 80.3° | 175.0° |
| N5 | C47 | O8 | C48 | 176.2° | 179.9° |
| N5 | C47 | C48 | O9 | 104.8° | 175.0° |
| C47 | N5 | C35 | C34 | 81.6° | 155.0° |
| C47 | N5 | C35 | C36 | 156.3° | 85.0° |
| N5 | C47 | C48 | C49 | 130.8° | 65.0° |
| C47 | N5 | C35 | H35 | 38.3° | 35.0° |
| N5 | C47 | C48 | H48 | 14.0° | 54.9° |
| O5 | C29 | C28 | H29 | 120.0° | 120.0° |
| O5 | C29 | C28 | H29A | 120.0° | 120.0° |
| C29 | O5 | C30 | C31 | 62.8° | 180.0° |
| O5 | C29 | H29 | H29A | 118.6° | 120.0° |
| C29 | O5 | C30 | H30 | 57.2° | 60.0° |
| C29 | O5 | C30 | H30A | 177.2° | 60.0° |
| O5 | C30 | C31 | O6 | 178.4° | 65.0° |
| C30 | O5 | C29 | C28 | 96.8° | 180.0° |
| O5 | C30 | C31 | H30 | 120.0° | 120.0° |
| O5 | C30 | C31 | H30A | 120.0° | 120.0° |
| C30 | O5 | C29 | H29 | 23.2° | 60.0° |
| C30 | O5 | C29 | H29A | 143.2° | 60.0° |
| O5 | C30 | H30 | H30A | 119.4° | 120.0° |
| O5 | C30 | C31 | H31 | 58.4° | 55.0° |
| O5 | C30 | C31 | H31A | 61.6° | 175.0° |
| N6 | C49 | C48 | O9 | 43.2° | 65.0° |
| N6 | C49 | C48 | C47 | 161.8° | 55.0° |
| N6 | C49 | C48 | C50 | 115.7° | 120.0° |
| N6 | C49 | C48 | H49 | 121.8° | 120.0° |
| N6 | C49 | C50 | H49 | 121.6° | 120.0° |
| N6 | C49 | C50 | C51 | 96.2° | 65.0° |
| C49 | N6 | HN6 | HN6A | 120.0° | 123.9° |
| N6 | C49 | C48 | H48 | 75.4° | 174.9° |
| N6 | C49 | C50 | H50 | 143.8° | 175.0° |
| N6 | C49 | C50 | H50A | 23.8° | 55.0° |
| O6 | C31 | C30 | H31 | 120.0° | 120.0° |
| O6 | C31 | C30 | H31A | 120.0° | 120.0° |
| C31 | O6 | C32 | C33 | 128.8° | 180.0° |
| O6 | C31 | C30 | H30 | 58.3° | 55.0° |
| O6 | C31 | C30 | H30A | 61.6° | 175.0° |
| O6 | C31 | H31 | H31A | 120.2° | 119.9° |
| C31 | O6 | C32 | H32 | 8.8° | 60.1° |
| C31 | O6 | C32 | H32A | 111.2° | 60.0° |
| C32 | O6 | C31 | C30 | 108.0° | 180.0° |
| O6 | C32 | C33 | H32 | 120.0° | 120.0° |
| O6 | C32 | C33 | H32A | 120.0° | 120.1° |
| C32 | O6 | C31 | H31 | 12.0° | 59.9° |
| C32 | O6 | C31 | H31A | 132.0° | 60.0° |
| O6 | C32 | H32 | H32A | 119.0° | 120.1° |
| O6 | C32 | C33 | H33 | 84.8° | 55.0° |
| O6 | C32 | C33 | H33A | 155.2° | 175.0° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 120.0° | 120.1° |
| C7 | C8 | C9 | C10 | 152.0° | 180.0° |
| C8 | C7 | N1 | HN1 | 18.6° | 0.3° |
| C8 | C7 | H7 | H7A | 119.3° | 120.1° |
| C7 | C8 | H8 | H8A | 118.8° | 120.0° |
| C7 | C8 | C9 | H9 | 87.9° | 60.0° |
| C7 | C8 | C9 | H9A | 32.1° | 59.9° |
| N7 | C57 | C11 | C10 | 83.3° | 60.0° |
| N7 | C57 | O10 | C11 | 179.8° | 180.0° |
| C57 | N7 | HN7 | HN7A | 180.0° | 179.9° |
| N7 | C57 | C11 | H11 | 158.1° | 60.0° |
| O7 | C34 | C35 | C36 | 68.0° | 120.0° |
| O7 | C34 | N4 | HN4 | 177.1° | 180.0° |
| O7 | C34 | C35 | H35 | 174.0° | 120.0° |
| C8 | C9 | C10 | H9 | 120.0° | 119.9° |
| C8 | C9 | C10 | H9A | 120.0° | 120.0° |
| C8 | C9 | C10 | C11 | 115.0° | 180.0° |
| C9 | C8 | C7 | H7 | 19.7° | 60.1° |
| C9 | C8 | C7 | H7A | 100.3° | 60.0° |
| C9 | C8 | H8 | H8A | 118.8° | 120.0° |
| C8 | C9 | H9 | H9A | 119.3° | 120.0° |
| C8 | C9 | C10 | H10 | 5.1° | 60.1° |
| C8 | C9 | C10 | H10A | 125.0° | 59.9° |
| O8 | C47 | C48 | O9 | 71.9° | 4.9° |
| O8 | C47 | C48 | C49 | 52.5° | 115.1° |
| O8 | C47 | N5 | HN5 | 174.9° | 179.9° |
| O8 | C47 | C48 | H48 | 169.4° | 125.0° |
| C9 | C10 | C11 | H10 | 120.0° | 119.9° |
| C9 | C10 | C11 | H10A | 120.0° | 120.1° |
| C9 | C10 | C11 | C57 | 158.9° | 175.0° |
| C10 | C9 | C8 | H8 | 32.0° | 60.0° |
| C10 | C9 | C8 | H8A | 88.0° | 59.9° |
| C10 | C9 | H9 | H9A | 119.3° | 120.1° |
| C9 | C10 | H10 | H10A | 119.5° | 120.0° |
| C9 | C10 | C11 | H11 | 43.0° | 55.0° |
| O9 | C48 | C47 | C49 | 124.4° | 120.0° |
| O9 | C48 | C47 | H48 | 118.7° | 120.0° |
| O9 | C48 | C49 | H48 | 118.6° | 120.0° |
| O9 | C48 | C49 | C50 | 158.9° | 55.0° |
| O9 | C48 | C49 | H49 | 78.5° | 175.0° |
| C10 | C11 | C57 | O10 | 96.9° | 119.9° |
| C10 | C11 | C57 | H11 | 118.6° | 120.0° |
| C10 | C11 | N2 | HN2 | 26.7° | 25.0° |
| C11 | C10 | C9 | H9 | 125.0° | 60.1° |
| C11 | C10 | C9 | H9A | 5.0° | 60.0° |
| C11 | C10 | H10 | H10A | 119.5° | 120.0° |
| O10 | C57 | N7 | HN7 | 0.0° | 0.0° |
| O10 | C57 | N7 | HN7A | 180.0° | 179.9° |
| O10 | C57 | C11 | H11 | 21.7° | 120.0° |
| C57 | C11 | N2 | HN2 | 98.8° | 94.9° |
| C11 | C57 | N7 | HN7 | 179.8° | 180.0° |
| C11 | C57 | N7 | HN7A | 0.2° | 0.0° |
| C57 | C11 | C10 | H10 | 38.9° | 55.0° |
| C57 | C11 | C10 | H10A | 81.1° | 65.0° |
| C12 | C13 | C14 | H13 | 117.5° | 120.0° |
| C12 | C13 | C14 | C15 | 73.5° | 175.0° |
| C13 | C12 | N2 | HN2 | 1.6° | 0.0° |
| C12 | C13 | N3 | HN3 | 98.9° | 25.0° |
| C12 | C13 | C14 | H14 | 46.5° | 65.0° |
| C12 | C13 | C14 | H14A | 166.5° | 55.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | C15 | C16 | 93.5° | 90.0° |
| C13 | C14 | C15 | C27 | 85.6° | 90.3° |
| C14 | C13 | N3 | HN3 | 22.5° | 95.1° |
| C13 | C14 | H14 | H14A | 119.6° | 120.0° |
| C14 | C15 | C16 | C27 | 179.1° | 179.7° |
| C14 | C15 | C16 | C17 | 178.7° | 180.0° |
| C14 | C15 | C27 | C26 | 179.4° | 179.8° |
| C15 | C14 | C13 | H13 | 169.0° | 55.0° |
| C15 | C14 | H14 | H14A | 119.5° | 120.0° |
| C14 | C15 | C16 | H16 | 1.3° | 0.1° |
| C14 | C15 | C27 | H27 | 0.7° | 0.1° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C16 | C15 | C27 | C26 | 0.2° | 0.5° |
| C16 | C15 | C14 | H14 | 26.5° | 30.0° |
| C16 | C15 | C14 | H14A | 146.5° | 150.0° |
| C15 | C16 | C17 | H17 | 179.9° | 179.9° |
| C16 | C15 | C27 | H27 | 179.8° | 179.7° |
| C27 | C15 | C16 | C17 | 0.4° | 0.3° |
| C15 | C27 | C26 | C18 | 1.2° | 0.5° |
| C15 | C27 | C26 | H27 | 180.0° | 179.7° |
| C27 | C15 | C14 | H14 | 154.4° | 149.7° |
| C27 | C15 | C14 | H14A | 34.4° | 29.7° |
| C27 | C15 | C16 | H16 | 179.6° | 179.8° |
| C15 | C27 | C26 | H26 | 178.8° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 177.7° | 180.0° |
| C16 | C17 | C18 | C26 | 0.9° | 0.0° |
| C17 | C18 | C19 | C26 | 176.8° | 180.0° |
| C17 | C18 | C19 | C20 | 63.6° | 146.1° |
| C17 | C18 | C26 | C27 | 1.5° | 0.3° |
| C18 | C17 | C16 | H16 | 179.9° | 179.9° |
| C17 | C18 | C26 | H26 | 178.4° | 180.0° |
| C18 | C19 | C20 | C21 | 144.0° | 172.5° |
| C18 | C19 | C20 | C25 | 37.6° | 7.8° |
| C19 | C18 | C26 | C27 | 178.4° | 179.8° |
| C19 | C18 | C17 | H17 | 2.3° | 0.1° |
| C19 | C18 | C26 | H26 | 1.5° | 0.0° |
| C26 | C18 | C19 | C20 | 119.5° | 33.9° |
| C18 | C26 | C27 | H26 | 180.0° | 179.8° |
| C26 | C18 | C17 | H17 | 179.1° | 179.9° |
| C18 | C26 | C27 | H27 | 178.8° | 179.8° |
| C19 | C20 | C21 | C25 | 178.4° | 179.7° |
| C19 | C20 | C21 | C22 | 179.1° | 180.0° |
| C19 | C20 | C25 | C24 | 179.5° | 179.7° |
| C19 | C20 | C21 | H21 | 0.8° | 0.1° |
| C19 | C20 | C25 | H25 | 0.5° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 2.7° | 0.1° |
| C21 | C20 | C25 | C24 | 1.1° | 0.6° |
| C20 | C21 | C22 | H22 | 177.3° | 180.0° |
| C21 | C20 | C25 | H25 | 178.9° | 179.7° |
| C25 | C20 | C21 | C22 | 2.4° | 0.4° |
| C20 | C25 | C24 | C23 | 0.0° | 0.6° |
| C20 | C25 | C24 | H25 | 180.0° | 179.7° |
| C25 | C20 | C21 | H21 | 177.6° | 179.8° |
| C20 | C25 | C24 | H24 | 180.0° | 179.7° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 1.6° | 0.0° |
| C21 | C22 | C23 | H23 | 178.5° | 179.9° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.3° | 0.3° |
| C23 | C22 | C21 | H21 | 177.4° | 180.0° |
| C22 | C23 | C24 | H24 | 179.8° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.7° |
| C24 | C23 | C22 | H22 | 178.5° | 180.0° |
| C23 | C24 | C25 | H25 | 179.9° | 179.7° |
| C25 | C24 | C23 | H23 | 179.8° | 179.7° |
| C29 | C28 | N3 | HN3 | 0.5° | 0.1° |
| C28 | C29 | H29 | H29A | 118.7° | 120.0° |
| C31 | C30 | H30 | H30A | 119.5° | 120.0° |
| C30 | C31 | H31 | H31A | 120.2° | 120.1° |
| C32 | C33 | N4 | HN4 | 59.1° | 0.0° |
| C33 | C32 | H32 | H32A | 119.0° | 119.9° |
| C32 | C33 | H33 | H33A | 118.6° | 120.0° |
| C34 | C35 | C36 | H35 | 119.8° | 120.0° |
| C34 | C35 | C36 | C37 | 80.8° | 175.0° |
| C35 | C34 | N4 | HN4 | 0.8° | 0.0° |
| C34 | C35 | N5 | HN5 | 98.3° | 25.0° |
| C34 | C35 | C36 | H36 | 159.2° | 65.0° |
| C34 | C35 | C36 | H36A | 39.2° | 54.9° |
| C35 | C36 | C37 | H36 | 120.0° | 120.0° |
| C35 | C36 | C37 | H36A | 120.0° | 120.0° |
| C35 | C36 | C37 | C38 | 46.5° | 90.0° |
| C35 | C36 | C37 | C46 | 134.2° | 90.3° |
| C36 | C35 | N5 | HN5 | 23.7° | 95.0° |
| C35 | C36 | H36 | H36A | 120.1° | 119.9° |
| C36 | C37 | C38 | C46 | 179.3° | 179.7° |
| C36 | C37 | C38 | C39 | 177.8° | 180.0° |
| C36 | C37 | C46 | C45 | 178.7° | 179.8° |
| C37 | C36 | C35 | H35 | 39.0° | 55.0° |
| C37 | C36 | H36 | H36A | 120.1° | 120.0° |
| C36 | C37 | C38 | H38 | 2.2° | 0.1° |
| C36 | C37 | C46 | H46 | 1.3° | 0.0° |
| C37 | C38 | C39 | H38 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 3.3° | 0.0° |
| C38 | C37 | C46 | C45 | 2.0° | 0.5° |
| C38 | C37 | C36 | H36 | 73.5° | 30.0° |
| C38 | C37 | C36 | H36A | 166.5° | 150.0° |
| C37 | C38 | C39 | H39 | 176.7° | 180.0° |
| C38 | C37 | C46 | H46 | 178.0° | 179.7° |
| C46 | C37 | C38 | C39 | 3.0° | 0.3° |
| C37 | C46 | C45 | C40 | 1.4° | 0.5° |
| C37 | C46 | C45 | C44 | 178.4° | 179.7° |
| C37 | C46 | C45 | H46 | 180.0° | 179.8° |
| C46 | C37 | C36 | H36 | 105.8° | 149.7° |
| C46 | C37 | C36 | H36A | 14.2° | 29.7° |
| C46 | C37 | C38 | H38 | 177.0° | 179.8° |
| C38 | C39 | C40 | H39 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 179.2° | 180.0° |
| C38 | C39 | C40 | C45 | 2.6° | 0.0° |
| C39 | C40 | C41 | C45 | 178.2° | 180.0° |
| C39 | C40 | C41 | C42 | 178.5° | 180.0° |
| C39 | C40 | C45 | C44 | 178.1° | 180.0° |
| C39 | C40 | C45 | C46 | 1.7° | 0.2° |
| C40 | C39 | C38 | H38 | 176.7° | 179.9° |
| C39 | C40 | C41 | H41 | 1.5° | 0.0° |
| C40 | C41 | C42 | H41 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 0.8° | 0.0° |
| C41 | C40 | C45 | C44 | 0.1° | 0.1° |
| C41 | C40 | C45 | C46 | 179.9° | 179.7° |
| C41 | C40 | C39 | H39 | 0.8° | 0.1° |
| C40 | C41 | C42 | H42 | 179.2° | 180.0° |
| C45 | C40 | C41 | C42 | 0.3° | 0.0° |
| C40 | C45 | C44 | C43 | 1.6° | 0.1° |
| C40 | C45 | C44 | C46 | 179.8° | 179.8° |
| C45 | C40 | C39 | H39 | 177.4° | 180.0° |
| C45 | C40 | C41 | H41 | 179.7° | 180.0° |
| C40 | C45 | C44 | H44 | 178.4° | 179.9° |
| C40 | C45 | C46 | H46 | 178.6° | 179.7° |
| C41 | C42 | C43 | H42 | 180.0° | 180.0° |
| C41 | C42 | C43 | C44 | 2.3° | 0.0° |
| C41 | C42 | C43 | H43 | 177.8° | 180.0° |
| C42 | C43 | C44 | H43 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 2.7° | 0.0° |
| C43 | C42 | C41 | H41 | 179.2° | 180.0° |
| C42 | C43 | C44 | H44 | 177.3° | 180.0° |
| C43 | C44 | C45 | H44 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 178.6° | 179.7° |
| C44 | C43 | C42 | H42 | 177.7° | 180.0° |
| C45 | C44 | C43 | H43 | 177.3° | 179.9° |
| C44 | C45 | C46 | H46 | 1.6° | 0.1° |
| C46 | C45 | C44 | H44 | 1.3° | 0.3° |
| C47 | C48 | C49 | H48 | 122.8° | 120.0° |
| C47 | C48 | C49 | C50 | 82.5° | 175.0° |
| C48 | C47 | N5 | HN5 | 1.5° | 0.0° |
| C47 | C48 | O9 | HO9 | 25.7° | 60.0° |
| C47 | C48 | C49 | H49 | 40.1° | 65.0° |
| C48 | C49 | C50 | H49 | 121.1° | 120.0° |
| C48 | C49 | C50 | C51 | 146.6° | 175.0° |
| C48 | C49 | N6 | HN6 | 180.0° | 176.0° |
| C48 | C49 | N6 | HN6A | 60.0° | 60.1° |
| C49 | C48 | O9 | HO9 | 94.7° | 60.0° |
| C48 | C49 | C50 | H50 | 26.6° | 55.0° |
| C48 | C49 | C50 | H50A | 93.4° | 65.0° |
| C49 | C50 | C51 | H50 | 120.0° | 120.0° |
| C49 | C50 | C51 | H50A | 120.0° | 120.0° |
| C49 | C50 | C51 | C52 | 122.5° | 90.0° |
| C49 | C50 | C51 | C56 | 61.5° | 90.3° |
| C50 | C49 | N6 | HN6 | 63.7° | 63.9° |
| C50 | C49 | N6 | HN6A | 56.3° | 59.9° |
| C50 | C49 | C48 | H48 | 40.3° | 65.0° |
| C49 | C50 | H50 | H50A | 118.6° | 120.0° |
| C50 | C51 | C52 | C56 | 176.0° | 179.7° |
| C50 | C51 | C52 | C53 | 177.8° | 180.0° |
| C50 | C51 | C56 | C55 | 177.1° | 179.8° |
| C51 | C50 | C49 | H49 | 25.4° | 55.0° |
| C51 | C50 | H50 | H50A | 118.6° | 120.0° |
| C50 | C51 | C52 | H52 | 2.2° | 0.0° |
| C50 | C51 | C56 | H56 | 2.9° | 0.0° |
| C51 | C52 | C53 | H52 | 180.0° | 180.0° |
| C51 | C52 | C53 | C54 | 0.3° | 0.0° |
| C52 | C51 | C56 | C55 | 1.1° | 0.5° |
| C52 | C51 | C50 | H50 | 117.5° | 30.0° |
| C52 | C51 | C50 | H50A | 2.5° | 150.0° |
| C51 | C52 | C53 | H53 | 179.6° | 179.9° |
| C52 | C51 | C56 | H56 | 178.9° | 179.8° |
| C56 | C51 | C52 | C53 | 1.7° | 0.3° |
| C51 | C56 | C55 | C54 | 0.9° | 0.5° |
| C51 | C56 | C55 | H56 | 180.0° | 179.7° |
| C56 | C51 | C50 | H50 | 58.5° | 149.7° |
| C56 | C51 | C50 | H50A | 178.5° | 29.7° |
| C56 | C51 | C52 | H52 | 178.3° | 179.8° |
| C51 | C56 | C55 | H55 | 179.1° | 179.7° |
| C52 | C53 | C54 | H53 | 180.0° | 179.9° |
| C52 | C53 | C54 | C55 | 1.7° | 0.1° |
| C52 | C53 | C54 | H54 | 178.3° | 180.0° |
| C53 | C54 | C55 | H54 | 180.0° | 179.9° |
| C53 | C54 | C55 | C56 | 2.4° | 0.1° |
| C54 | C53 | C52 | H52 | 179.7° | 179.9° |
| C53 | C54 | C55 | H55 | 177.7° | 180.0° |
| C54 | C55 | C56 | H55 | 180.0° | 179.9° |
| C55 | C54 | C53 | H53 | 178.3° | 180.0° |
| C54 | C55 | C56 | H56 | 179.1° | 179.8° |
| C56 | C55 | C54 | H54 | 177.6° | 179.8° |
| HN1 | N1 | C7 | H7 | 101.4° | 120.2° |
| HN1 | N1 | C7 | H7A | 138.6° | 119.8° |
| HN2 | N2 | C11 | H11 | 145.5° | 145.0° |
| H3 | C3 | C4 | H4 | 135.3° | 180.0° |
| H3 | C3 | C4 | H4A | 15.3° | 60.0° |
| H3A | C3 | C4 | H4 | 104.7° | 60.0° |
| H3A | C3 | C4 | H4A | 135.3° | 180.0° |
| HN3 | N3 | C13 | H13 | 144.1° | 145.0° |
| H4 | C4 | C5 | H5 | 110.2° | 180.0° |
| H4 | C4 | C5 | H5A | 9.8° | 60.0° |
| H4A | C4 | C5 | H5 | 129.9° | 60.1° |
| H4A | C4 | C5 | H5A | 110.1° | 179.9° |
| HN4 | N4 | C33 | H33 | 179.1° | 120.0° |
| HN4 | N4 | C33 | H33A | 60.9° | 120.0° |
| HN5 | N5 | C35 | H35 | 141.7° | 145.0° |
| HN6 | N6 | C49 | H49 | 58.8° | 56.1° |
| HN6A | N6 | C49 | H49 | 178.8° | 180.0° |
| H7 | C7 | C8 | H8 | 139.7° | 180.0° |
| H7 | C7 | C8 | H8A | 100.3° | 60.0° |
| H7A | C7 | C8 | H8 | 19.7° | 60.0° |
| H7A | C7 | C8 | H8A | 139.7° | 180.0° |
| H8 | C8 | C9 | H9 | 152.0° | 180.0° |
| H8 | C8 | C9 | H9A | 88.0° | 60.0° |
| H8A | C8 | C9 | H9 | 32.0° | 60.0° |
| H8A | C8 | C9 | H9A | 152.0° | 180.0° |
| H9 | C9 | C10 | H10 | 115.0° | 180.0° |
| H9 | C9 | C10 | H10A | 5.0° | 60.0° |
| H9A | C9 | C10 | H10 | 125.1° | 60.0° |
| H9A | C9 | C10 | H10A | 115.0° | 180.0° |
| HO9 | O9 | C48 | H48 | 148.6° | 180.0° |
| H10 | C10 | C11 | H11 | 77.0° | 65.0° |
| H10A | C10 | C11 | H11 | 163.0° | 175.0° |
| H13 | C13 | C14 | H14 | 71.0° | 175.0° |
| H13 | C13 | C14 | H14A | 49.0° | 65.0° |
| H16 | C16 | C17 | H17 | 0.1° | 0.0° |
| H21 | C21 | C22 | H22 | 2.6° | 0.1° |
| H22 | C22 | C23 | H23 | 1.5° | 0.0° |
| H23 | C23 | C24 | H24 | 0.2° | 0.0° |
| H24 | C24 | C25 | H25 | 0.0° | 0.0° |
| H26 | C26 | C27 | H27 | 1.2° | 0.0° |
| H30 | C30 | C31 | H31 | 61.6° | 175.0° |
| H30 | C30 | C31 | H31A | 178.3° | 65.0° |
| H30A | C30 | C31 | H31 | 178.4° | 65.0° |
| H30A | C30 | C31 | H31A | 58.3° | 55.1° |
| H32 | C32 | C33 | H33 | 155.2° | 175.0° |
| H32 | C32 | C33 | H33A | 35.2° | 65.0° |
| H32A | C32 | C33 | H33 | 35.2° | 65.0° |
| H32A | C32 | C33 | H33A | 84.8° | 54.9° |
| H35 | C35 | C36 | H36 | 81.0° | 175.1° |
| H35 | C35 | C36 | H36A | 159.1° | 65.0° |
| H38 | C38 | C39 | H39 | 3.3° | 0.0° |
| H41 | C41 | C42 | H42 | 0.8° | 0.1° |
| H42 | C42 | C43 | H43 | 2.3° | 0.0° |
| H43 | C43 | C44 | H44 | 2.6° | 0.1° |
| H48 | C48 | C49 | H49 | 162.9° | 55.0° |
| H49 | C49 | C50 | H50 | 94.5° | 65.0° |
| H49 | C49 | C50 | H50A | 145.5° | 175.0° |
| H52 | C52 | C53 | H53 | 0.4° | 0.0° |
| H53 | C53 | C54 | H54 | 1.7° | 0.1° |
| H54 | C54 | C55 | H55 | 2.3° | 0.1° |
| H55 | C55 | C56 | H56 | 0.9° | 0.1° |
