KDW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C39 | sing | 1.51Å | 1.50Å | |
| N5 | C39 | sing | 1.35Å | 1.33Å | |
| N5 | C38 | sing | 1.46Å | 1.45Å | |
| C39 | O4 | doub | 1.21Å | 1.23Å | |
| C38 | C37 | sing | 1.53Å | 1.51Å | |
| C36 | N4 | sing | 1.47Å | 1.46Å | |
| C36 | C35 | sing | 1.51Å | 1.51Å | |
| N4 | C37 | sing | 1.47Å | 1.46Å | |
| C35 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C41 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| O5 | C34 | sing | 1.36Å | 1.36Å | |
| O5 | C44 | sing | 1.43Å | 1.42Å | |
| C43 | C42 | sing | 1.51Å | 1.50Å | |
| C42 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.39Å | 1.37Å | Aromatic |
| C46 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| C46 | C45 | sing | 1.38Å | 1.38Å | Aromatic |
| N6 | C47 | sing | 1.32Å | 1.33Å | Aromatic |
| C44 | C45 | sing | 1.51Å | 1.49Å | |
| C45 | C49 | doub | 1.38Å | 1.39Å | Aromatic |
| C47 | C48 | doub | 1.40Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.37Å | Aromatic |
| C32 | O3 | sing | 1.36Å | 1.36Å | |
| C49 | C48 | sing | 1.40Å | 1.39Å | Aromatic |
| C48 | C50 | sing | 1.43Å | 1.44Å | |
| C50 | N7 | trip | 1.14Å | 1.14Å | |
| O3 | C31 | sing | 1.43Å | 1.42Å | |
| C31 | C28 | sing | 1.51Å | 1.50Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C29 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C21 | sing | 1.48Å | 1.49Å | |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.50Å | |
| C22 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | O2 | sing | 1.43Å | 1.42Å | |
| O2 | C15 | sing | 1.36Å | 1.36Å | |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C51 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C53 | C51 | sing | 1.51Å | 1.50Å | |
| N3 | C13 | trip | 1.14Å | 1.14Å | |
| C51 | C52 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C7 | O1 | sing | 1.43Å | 1.42Å | |
| C12 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C11 | sing | 1.43Å | 1.44Å | |
| C6 | O1 | sing | 1.36Å | 1.36Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C52 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C9 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | N2 | sing | 1.32Å | 1.33Å | Aromatic |
| C4 | N1 | sing | 1.47Å | 1.45Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | N | sing | 1.46Å | 1.45Å | |
| N | C1 | sing | 1.35Å | 1.33Å | |
| O | C1 | doub | 1.21Å | 1.22Å | |
| C1 | C | sing | 1.51Å | 1.50Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| N | H17 | sing | 0.97Å | 1.00Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C38 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C40 | H42 | sing | 1.09Å | 1.10Å | |
| C40 | H43 | sing | 1.09Å | 1.10Å | |
| C40 | H44 | sing | 1.09Å | 1.10Å | |
| C41 | H45 | sing | 1.08Å | 1.08Å | |
| C43 | H46 | sing | 1.09Å | 1.10Å | |
| C43 | H47 | sing | 1.09Å | 1.10Å | |
| C43 | H48 | sing | 1.09Å | 1.10Å | |
| C44 | H49 | sing | 1.09Å | 1.10Å | |
| C44 | H50 | sing | 1.09Å | 1.10Å | |
| C46 | H51 | sing | 1.08Å | 1.08Å | |
| C47 | H52 | sing | 1.08Å | 1.08Å | |
| C49 | H53 | sing | 1.08Å | 1.08Å | |
| C52 | H54 | sing | 1.08Å | 1.08Å | |
| C53 | H55 | sing | 1.09Å | 1.10Å | |
| C53 | H56 | sing | 1.09Å | 1.10Å | |
| C53 | H57 | sing | 1.09Å | 1.10Å | |
| N4 | H58 | sing | 1.01Å | 1.00Å | |
| N5 | H60 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C39 | N5 | 116.1° | 120.0° |
| C40 | C39 | O4 | 122.0° | 120.0° |
| C39 | C40 | H42 | 109.5° | 109.5° |
| C39 | C40 | H43 | 109.5° | 109.5° |
| C39 | C40 | H44 | 109.4° | 109.5° |
| C39 | N5 | C38 | 122.5° | 120.1° |
| N5 | C39 | O4 | 122.0° | 120.0° |
| C39 | N5 | H60 | 118.7° | 120.0° |
| N5 | C38 | C37 | 111.2° | 109.5° |
| N5 | C38 | H40 | 109.0° | 109.5° |
| N5 | C38 | H41 | 109.0° | 109.5° |
| C38 | N5 | H60 | 118.8° | 119.9° |
| C38 | C37 | N4 | 110.9° | 109.5° |
| C38 | C37 | H38 | 109.1° | 109.4° |
| C38 | C37 | H39 | 109.1° | 109.5° |
| C37 | C38 | H40 | 109.0° | 109.5° |
| C37 | C38 | H41 | 109.0° | 109.4° |
| N4 | C36 | C35 | 113.9° | 109.5° |
| C36 | N4 | C37 | 112.6° | 111.0° |
| N4 | C36 | H36 | 108.3° | 109.4° |
| N4 | C36 | H37 | 108.3° | 109.5° |
| C36 | N4 | H58 | 108.7° | 111.0° |
| C36 | C35 | C41 | 121.2° | 120.1° |
| C36 | C35 | C34 | 120.9° | 119.9° |
| C35 | C36 | H36 | 108.3° | 109.5° |
| C35 | C36 | H37 | 108.3° | 109.5° |
| N4 | C37 | H38 | 109.1° | 109.4° |
| N4 | C37 | H39 | 109.1° | 109.5° |
| C37 | N4 | H58 | 108.7° | 111.0° |
| C41 | C35 | C34 | 117.9° | 120.0° |
| C35 | C41 | C42 | 122.2° | 120.2° |
| C35 | C41 | H45 | 118.9° | 119.9° |
| C35 | C34 | O5 | 115.8° | 120.0° |
| C35 | C34 | C33 | 121.0° | 119.9° |
| C41 | C42 | C43 | 121.0° | 120.0° |
| C41 | C42 | C32 | 117.8° | 120.1° |
| C42 | C41 | H45 | 118.9° | 120.0° |
| C34 | O5 | C44 | 116.6° | 117.0° |
| O5 | C34 | C33 | 123.2° | 120.1° |
| O5 | C44 | C45 | 107.0° | 109.4° |
| O5 | C44 | H49 | 110.1° | 109.5° |
| O5 | C44 | H50 | 110.1° | 109.5° |
| C43 | C42 | C32 | 121.3° | 119.9° |
| C42 | C43 | H46 | 109.5° | 109.5° |
| C42 | C43 | H47 | 109.5° | 109.5° |
| C42 | C43 | H48 | 109.5° | 109.5° |
| C42 | C32 | C33 | 121.3° | 119.9° |
| C42 | C32 | O3 | 115.5° | 120.0° |
| C34 | C33 | C32 | 119.8° | 120.0° |
| C34 | C33 | H35 | 120.1° | 120.0° |
| N6 | C46 | C45 | 124.5° | 121.1° |
| C46 | N6 | C47 | 117.3° | 121.9° |
| N6 | C46 | H51 | 117.7° | 119.4° |
| C46 | C45 | C44 | 121.4° | 120.3° |
| C46 | C45 | C49 | 117.1° | 119.3° |
| C45 | C46 | H51 | 117.7° | 119.5° |
| N6 | C47 | C48 | 123.2° | 120.5° |
| N6 | C47 | H52 | 118.4° | 119.7° |
| C44 | C45 | C49 | 121.6° | 120.3° |
| C45 | C44 | H49 | 110.1° | 109.4° |
| C45 | C44 | H50 | 110.1° | 109.4° |
| C45 | C49 | C48 | 119.8° | 118.3° |
| C45 | C49 | H53 | 120.1° | 120.9° |
| C47 | C48 | C49 | 118.1° | 118.9° |
| C47 | C48 | C50 | 121.7° | 120.5° |
| C48 | C47 | H52 | 118.4° | 119.7° |
| C33 | C32 | O3 | 123.2° | 120.1° |
| C32 | C33 | H35 | 120.1° | 120.0° |
| C32 | O3 | C31 | 116.8° | 117.0° |
| C49 | C48 | C50 | 120.2° | 120.6° |
| C48 | C49 | H53 | 120.1° | 120.9° |
| C48 | C50 | N7 | 178.3° | 180.0° |
| O3 | C31 | C28 | 106.9° | 109.5° |
| O3 | C31 | H33 | 110.1° | 109.5° |
| O3 | C31 | H34 | 110.1° | 109.5° |
| C31 | C28 | C27 | 118.8° | 119.9° |
| C31 | C28 | C29 | 121.3° | 119.9° |
| C28 | C31 | H33 | 110.1° | 109.5° |
| C28 | C31 | H34 | 110.1° | 109.4° |
| C28 | C27 | C26 | 120.8° | 120.2° |
| C27 | C28 | C29 | 119.9° | 120.1° |
| C28 | C27 | H29 | 119.6° | 119.9° |
| C27 | C26 | C25 | 120.1° | 120.1° |
| C27 | C26 | H28 | 119.9° | 119.9° |
| C26 | C27 | H29 | 119.6° | 119.9° |
| C28 | C29 | C30 | 120.2° | 120.1° |
| C28 | C29 | C24 | 118.6° | 119.9° |
| C26 | C25 | C24 | 120.1° | 119.9° |
| C26 | C25 | H27 | 120.0° | 120.0° |
| C25 | C26 | H28 | 119.9° | 120.0° |
| C30 | C29 | C24 | 121.2° | 120.1° |
| C29 | C30 | H30 | 109.5° | 109.5° |
| C29 | C30 | H31 | 109.5° | 109.5° |
| C29 | C30 | H32 | 109.5° | 109.4° |
| C29 | C24 | C25 | 120.5° | 119.8° |
| C29 | C24 | C21 | 121.4° | 120.1° |
| C25 | C24 | C21 | 118.1° | 120.1° |
| C24 | C25 | H27 | 120.0° | 120.1° |
| C24 | C21 | C20 | 118.9° | 120.1° |
| C24 | C21 | C22 | 120.7° | 120.1° |
| C20 | C21 | C22 | 120.4° | 119.8° |
| C21 | C20 | C19 | 120.0° | 119.9° |
| C21 | C20 | H23 | 120.0° | 120.1° |
| C21 | C22 | C23 | 121.0° | 120.1° |
| C21 | C22 | C17 | 118.8° | 119.8° |
| C20 | C19 | C18 | 120.2° | 120.1° |
| C20 | C19 | H22 | 119.9° | 120.0° |
| C19 | C20 | H23 | 120.0° | 120.0° |
| C23 | C22 | C17 | 120.2° | 120.0° |
| C22 | C23 | H24 | 109.5° | 109.5° |
| C22 | C23 | H25 | 109.4° | 109.5° |
| C22 | C23 | H26 | 109.5° | 109.4° |
| C22 | C17 | C18 | 119.9° | 120.1° |
| C22 | C17 | C16 | 120.0° | 119.9° |
| C19 | C18 | C17 | 120.7° | 120.2° |
| C19 | C18 | H21 | 119.6° | 119.9° |
| C18 | C19 | H22 | 119.9° | 119.9° |
| C18 | C17 | C16 | 120.1° | 119.9° |
| C17 | C18 | H21 | 119.6° | 119.9° |
| C17 | C16 | O2 | 108.8° | 109.5° |
| C17 | C16 | H10 | 109.6° | 109.5° |
| C17 | C16 | H11 | 109.6° | 109.5° |
| C16 | O2 | C15 | 117.5° | 117.0° |
| O2 | C16 | H10 | 109.6° | 109.5° |
| O2 | C16 | H11 | 109.6° | 109.5° |
| O2 | C15 | C14 | 125.1° | 120.0° |
| O2 | C15 | C51 | 113.4° | 120.0° |
| C14 | C15 | C51 | 121.4° | 119.9° |
| C15 | C14 | C6 | 119.5° | 119.9° |
| C15 | C14 | H9 | 120.2° | 120.1° |
| C15 | C51 | C53 | 121.1° | 120.0° |
| C15 | C51 | C52 | 117.8° | 120.0° |
| C14 | C6 | O1 | 123.7° | 120.0° |
| C14 | C6 | C5 | 120.9° | 120.0° |
| C6 | C14 | H9 | 120.2° | 120.0° |
| C53 | C51 | C52 | 121.1° | 120.0° |
| C51 | C53 | H55 | 109.5° | 109.4° |
| C51 | C53 | H56 | 109.5° | 109.5° |
| C51 | C53 | H57 | 109.5° | 109.5° |
| N3 | C13 | C11 | 178.4° | 179.9° |
| C51 | C52 | C5 | 122.2° | 120.1° |
| C51 | C52 | H54 | 118.9° | 119.9° |
| C8 | C7 | O1 | 108.7° | 109.5° |
| C7 | C8 | C12 | 121.6° | 120.3° |
| C7 | C8 | C9 | 121.4° | 120.3° |
| C8 | C7 | H5 | 109.7° | 109.4° |
| C8 | C7 | H6 | 109.7° | 109.5° |
| C7 | O1 | C6 | 116.9° | 117.0° |
| O1 | C7 | H5 | 109.7° | 109.5° |
| O1 | C7 | H6 | 109.7° | 109.5° |
| C8 | C12 | C11 | 119.8° | 118.3° |
| C12 | C8 | C9 | 117.0° | 119.3° |
| C8 | C12 | H8 | 120.1° | 120.9° |
| C12 | C11 | C13 | 120.3° | 120.6° |
| C12 | C11 | C10 | 118.1° | 118.8° |
| C11 | C12 | H8 | 120.1° | 120.8° |
| C13 | C11 | C10 | 121.5° | 120.6° |
| O1 | C6 | C5 | 115.4° | 120.0° |
| C6 | C5 | C52 | 118.1° | 120.0° |
| C6 | C5 | C4 | 120.7° | 120.0° |
| C8 | C9 | N2 | 124.6° | 121.1° |
| C8 | C9 | H16 | 117.7° | 119.5° |
| C11 | C10 | N2 | 123.2° | 120.6° |
| C11 | C10 | H7 | 118.4° | 119.7° |
| C52 | C5 | C4 | 121.2° | 120.0° |
| C5 | C52 | H54 | 118.9° | 120.0° |
| C5 | C4 | N1 | 112.9° | 109.4° |
| C5 | C4 | H3 | 108.6° | 109.5° |
| C5 | C4 | H4 | 108.6° | 109.5° |
| C9 | N2 | C10 | 117.3° | 121.9° |
| N2 | C9 | H16 | 117.7° | 119.4° |
| N2 | C10 | H7 | 118.4° | 119.7° |
| C4 | N1 | C3 | 112.5° | 111.0° |
| C4 | N1 | H1 | 108.7° | 111.0° |
| N1 | C4 | H3 | 108.6° | 109.4° |
| N1 | C4 | H4 | 108.6° | 109.5° |
| N1 | C3 | C2 | 110.5° | 109.5° |
| C3 | N1 | H1 | 108.7° | 111.1° |
| N1 | C3 | H14 | 109.2° | 109.5° |
| N1 | C3 | H15 | 109.2° | 109.5° |
| C3 | C2 | N | 110.3° | 109.5° |
| C3 | C2 | H12 | 109.3° | 109.5° |
| C3 | C2 | H13 | 109.3° | 109.5° |
| C2 | C3 | H14 | 109.2° | 109.4° |
| C2 | C3 | H15 | 109.2° | 109.5° |
| C2 | N | C1 | 122.2° | 120.0° |
| N | C2 | H12 | 109.3° | 109.5° |
| N | C2 | H13 | 109.3° | 109.5° |
| C2 | N | H17 | 118.9° | 120.0° |
| N | C1 | O | 121.8° | 120.0° |
| N | C1 | C | 116.1° | 120.0° |
| C1 | N | H17 | 118.9° | 120.0° |
| O | C1 | C | 122.0° | 120.1° |
| C1 | C | H18 | 109.5° | 109.4° |
| C1 | C | H19 | 109.4° | 109.4° |
| C1 | C | H20 | 109.5° | 109.5° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.4° | 109.4° |
| H14 | C3 | H15 | 109.5° | 109.4° |
| H18 | C | H19 | 109.5° | 109.5° |
| H18 | C | H20 | 109.5° | 109.5° |
| H19 | C | H20 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.4° |
| H24 | C23 | H26 | 109.4° | 109.4° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H30 | C30 | H31 | 109.4° | 109.5° |
| H30 | C30 | H32 | 109.5° | 109.5° |
| H31 | C30 | H32 | 109.5° | 109.5° |
| H33 | C31 | H34 | 109.4° | 109.4° |
| H36 | C36 | H37 | 109.5° | 109.5° |
| H38 | C37 | H39 | 109.5° | 109.5° |
| H40 | C38 | H41 | 109.5° | 109.5° |
| H42 | C40 | H43 | 109.4° | 109.5° |
| H42 | C40 | H44 | 109.5° | 109.4° |
| H43 | C40 | H44 | 109.5° | 109.5° |
| H46 | C43 | H47 | 109.5° | 109.5° |
| H46 | C43 | H48 | 109.5° | 109.4° |
| H47 | C43 | H48 | 109.5° | 109.5° |
| H49 | C44 | H50 | 109.5° | 109.5° |
| H55 | C53 | H56 | 109.4° | 109.5° |
| H55 | C53 | H57 | 109.5° | 109.5° |
| H56 | C53 | H57 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C39 | N5 | O4 | 180.0° | 179.9° |
| C40 | C39 | N5 | C38 | 125.4° | 180.0° |
| C39 | C40 | H42 | H43 | 120.0° | 120.0° |
| C39 | C40 | H42 | H44 | 120.0° | 120.0° |
| C39 | C40 | H43 | H44 | 120.0° | 120.0° |
| C40 | C39 | N5 | H60 | 54.6° | 0.0° |
| C39 | N5 | C38 | H60 | 180.0° | 180.0° |
| C39 | N5 | C38 | C37 | 37.8° | 180.0° |
| C39 | N5 | C38 | H40 | 82.5° | 60.0° |
| C39 | N5 | C38 | H41 | 158.0° | 60.0° |
| N5 | C39 | C40 | H42 | 180.0° | 90.0° |
| N5 | C39 | C40 | H43 | 60.1° | 30.0° |
| N5 | C39 | C40 | H44 | 60.0° | 150.0° |
| C38 | N5 | C39 | O4 | 54.6° | 0.0° |
| N5 | C38 | C37 | H40 | 120.3° | 120.0° |
| N5 | C38 | C37 | H41 | 120.2° | 120.0° |
| N5 | C38 | C37 | N4 | 67.5° | 180.0° |
| N5 | C38 | C37 | H38 | 52.7° | 60.0° |
| N5 | C38 | C37 | H39 | 172.3° | 60.0° |
| N5 | C38 | H40 | H41 | 119.2° | 120.0° |
| O4 | C39 | C40 | H42 | 0.0° | 90.0° |
| O4 | C39 | C40 | H43 | 120.0° | 150.0° |
| O4 | C39 | C40 | H44 | 120.0° | 29.9° |
| O4 | C39 | N5 | H60 | 125.4° | 179.9° |
| C38 | C37 | N4 | C36 | 66.9° | 180.0° |
| C38 | C37 | N4 | H38 | 120.2° | 120.0° |
| C38 | C37 | N4 | H39 | 120.2° | 120.0° |
| C38 | C37 | H38 | H39 | 119.3° | 120.0° |
| C37 | C38 | H40 | H41 | 119.2° | 119.9° |
| C38 | C37 | N4 | H58 | 172.6° | 56.0° |
| C37 | C38 | N5 | H60 | 142.2° | 0.0° |
| N4 | C36 | C35 | H36 | 120.7° | 119.9° |
| N4 | C36 | C35 | H37 | 120.7° | 120.0° |
| C36 | N4 | C37 | H58 | 120.5° | 124.0° |
| N4 | C36 | C35 | C41 | 112.2° | 100.0° |
| N4 | C36 | C35 | C34 | 67.3° | 80.3° |
| N4 | C36 | H36 | H37 | 118.0° | 120.0° |
| C36 | N4 | C37 | H38 | 172.9° | 60.0° |
| C36 | N4 | C37 | H39 | 53.3° | 60.0° |
| C35 | C36 | N4 | C37 | 68.9° | 180.0° |
| C36 | C35 | C41 | C34 | 179.5° | 179.7° |
| C36 | C35 | C41 | C42 | 179.1° | 180.0° |
| C36 | C35 | C34 | O5 | 0.3° | 0.2° |
| C36 | C35 | C34 | C33 | 179.3° | 179.7° |
| C35 | C36 | H36 | H37 | 118.0° | 120.0° |
| C36 | C35 | C41 | H45 | 0.9° | 0.3° |
| C35 | C36 | N4 | H58 | 51.6° | 56.1° |
| C37 | N4 | C36 | H36 | 51.7° | 60.0° |
| C37 | N4 | C36 | H37 | 170.4° | 60.0° |
| N4 | C37 | H38 | H39 | 119.4° | 120.0° |
| N4 | C37 | C38 | H40 | 172.2° | 60.0° |
| N4 | C37 | C38 | H41 | 52.7° | 60.0° |
| C35 | C41 | C42 | H45 | 180.0° | 179.7° |
| C41 | C35 | C34 | O5 | 179.8° | 179.9° |
| C35 | C41 | C42 | C43 | 179.4° | 180.0° |
| C35 | C41 | C42 | C32 | 0.3° | 0.5° |
| C41 | C35 | C34 | C33 | 0.3° | 0.0° |
| C41 | C35 | C36 | H36 | 8.5° | 20.0° |
| C41 | C35 | C36 | H37 | 127.2° | 140.0° |
| C34 | C35 | C41 | C42 | 0.4° | 0.3° |
| C35 | C34 | O5 | C33 | 179.5° | 179.9° |
| C35 | C34 | O5 | C44 | 120.6° | 180.0° |
| C35 | C34 | C33 | C32 | 0.0° | 0.1° |
| C35 | C34 | C33 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | H36 | 172.0° | 159.8° |
| C34 | C35 | C36 | H37 | 53.3° | 39.8° |
| C34 | C35 | C41 | H45 | 179.6° | 180.0° |
| C41 | C42 | C43 | C32 | 179.7° | 179.5° |
| C41 | C42 | C32 | C33 | 0.1° | 0.5° |
| C41 | C42 | C32 | O3 | 179.9° | 179.7° |
| C41 | C42 | C43 | H46 | 90.1° | 90.0° |
| C41 | C42 | C43 | H47 | 149.8° | 150.0° |
| C41 | C42 | C43 | H48 | 29.8° | 29.9° |
| C34 | O5 | C44 | C45 | 163.4° | 180.0° |
| O5 | C34 | C33 | C32 | 179.6° | 180.0° |
| O5 | C34 | C33 | H35 | 0.4° | 0.1° |
| C34 | O5 | C44 | H49 | 77.0° | 60.0° |
| C34 | O5 | C44 | H50 | 43.8° | 60.1° |
| C44 | O5 | C34 | C33 | 58.9° | 0.1° |
| O5 | C44 | C45 | C46 | 8.6° | 89.7° |
| O5 | C44 | C45 | H49 | 119.6° | 120.0° |
| O5 | C44 | C45 | H50 | 119.6° | 120.0° |
| O5 | C44 | C45 | C49 | 170.9° | 90.0° |
| O5 | C44 | H49 | H50 | 121.2° | 120.1° |
| C43 | C42 | C32 | C33 | 179.6° | 180.0° |
| C43 | C42 | C32 | O3 | 0.4° | 0.2° |
| C43 | C42 | C41 | H45 | 0.6° | 0.3° |
| C42 | C43 | H46 | H47 | 120.0° | 120.1° |
| C42 | C43 | H46 | H48 | 120.0° | 119.9° |
| C42 | C43 | H47 | H48 | 120.0° | 120.0° |
| C42 | C32 | C33 | C34 | 0.1° | 0.2° |
| C42 | C32 | C33 | O3 | 179.9° | 179.8° |
| C42 | C32 | O3 | C31 | 159.2° | 179.7° |
| C42 | C32 | C33 | H35 | 179.9° | 179.8° |
| C32 | C42 | C41 | H45 | 179.7° | 179.8° |
| C32 | C42 | C43 | H46 | 90.2° | 90.5° |
| C32 | C42 | C43 | H47 | 29.8° | 29.5° |
| C32 | C42 | C43 | H48 | 149.8° | 149.5° |
| C34 | C33 | C32 | H35 | 180.0° | 180.0° |
| C34 | C33 | C32 | O3 | 180.0° | 180.0° |
| N6 | C46 | C45 | H51 | 180.0° | 180.0° |
| N6 | C46 | C45 | C44 | 179.7° | 180.0° |
| N6 | C46 | C45 | C49 | 0.2° | 0.3° |
| C46 | N6 | C47 | C48 | 0.3° | 0.3° |
| C46 | N6 | C47 | H52 | 179.7° | 180.0° |
| C45 | C46 | N6 | C47 | 0.0° | 0.0° |
| C46 | C45 | C44 | C49 | 179.5° | 179.7° |
| C46 | C45 | C49 | C48 | 0.0° | 0.3° |
| C46 | C45 | C44 | H49 | 128.2° | 30.3° |
| C46 | C45 | C44 | H50 | 111.0° | 150.3° |
| C46 | C45 | C49 | H53 | 180.0° | 179.7° |
| N6 | C47 | C48 | H52 | 180.0° | 179.7° |
| N6 | C47 | C48 | C49 | 0.4° | 0.3° |
| N6 | C47 | C48 | C50 | 179.1° | 179.7° |
| C47 | N6 | C46 | H51 | 180.0° | 180.0° |
| C44 | C45 | C49 | C48 | 179.6° | 180.0° |
| C45 | C44 | H49 | H50 | 121.2° | 120.0° |
| C44 | C45 | C46 | H51 | 0.3° | 0.0° |
| C44 | C45 | C49 | H53 | 0.4° | 0.0° |
| C45 | C49 | C48 | C47 | 0.2° | 0.0° |
| C45 | C49 | C48 | H53 | 180.0° | 180.0° |
| C45 | C49 | C48 | C50 | 179.3° | 180.0° |
| C49 | C45 | C44 | H49 | 51.3° | 150.0° |
| C49 | C45 | C44 | H50 | 69.5° | 30.0° |
| C49 | C45 | C46 | H51 | 179.8° | 179.7° |
| C47 | C48 | C49 | C50 | 179.5° | 180.0° |
| C47 | C48 | C50 | N7 | 175.6° | 129.3° |
| C47 | C48 | C49 | H53 | 179.8° | 180.0° |
| C33 | C32 | O3 | C31 | 20.9° | 0.1° |
| C32 | O3 | C31 | C28 | 165.5° | 180.0° |
| C32 | O3 | C31 | H33 | 74.9° | 59.9° |
| C32 | O3 | C31 | H34 | 45.9° | 60.1° |
| O3 | C32 | C33 | H35 | 0.0° | 0.0° |
| C49 | C48 | C50 | N7 | 4.9° | 50.7° |
| C49 | C48 | C47 | H52 | 179.6° | 180.0° |
| C50 | C48 | C47 | H52 | 0.9° | 0.0° |
| C50 | C48 | C49 | H53 | 0.7° | 0.0° |
| O3 | C31 | C28 | H33 | 119.6° | 120.1° |
| O3 | C31 | C28 | H34 | 119.6° | 120.0° |
| O3 | C31 | C28 | C27 | 24.9° | 0.1° |
| O3 | C31 | C28 | C29 | 153.6° | 179.8° |
| O3 | C31 | H33 | H34 | 121.2° | 120.0° |
| C31 | C28 | C27 | C29 | 178.5° | 179.9° |
| C31 | C28 | C27 | C26 | 177.9° | 179.9° |
| C31 | C28 | C29 | C30 | 4.5° | 0.1° |
| C31 | C28 | C29 | C24 | 177.1° | 179.7° |
| C31 | C28 | C27 | H29 | 2.1° | 0.2° |
| C28 | C31 | H33 | H34 | 121.2° | 120.0° |
| C28 | C27 | C26 | H29 | 180.0° | 179.8° |
| C28 | C27 | C26 | C25 | 0.3° | 0.0° |
| C27 | C28 | C29 | C30 | 177.0° | 180.0° |
| C27 | C28 | C29 | C24 | 1.4° | 0.5° |
| C28 | C27 | C26 | H28 | 179.7° | 180.0° |
| C27 | C28 | C31 | H33 | 94.8° | 120.0° |
| C27 | C28 | C31 | H34 | 144.5° | 120.1° |
| C26 | C27 | C28 | C29 | 0.6° | 0.2° |
| C27 | C26 | C25 | H28 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.4° | 0.0° |
| C27 | C26 | C25 | H27 | 179.7° | 180.0° |
| C28 | C29 | C30 | C24 | 178.4° | 179.5° |
| C28 | C29 | C24 | C25 | 1.3° | 0.5° |
| C28 | C29 | C24 | C21 | 177.8° | 179.8° |
| C29 | C28 | C27 | H29 | 179.4° | 180.0° |
| C28 | C29 | C30 | H30 | 90.8° | 94.7° |
| C28 | C29 | C30 | H31 | 149.2° | 145.3° |
| C28 | C29 | C30 | H32 | 29.2° | 25.3° |
| C29 | C28 | C31 | H33 | 86.7° | 60.2° |
| C29 | C28 | C31 | H34 | 34.0° | 59.8° |
| C26 | C25 | C24 | C29 | 0.4° | 0.3° |
| C26 | C25 | C24 | H27 | 180.0° | 180.0° |
| C26 | C25 | C24 | C21 | 178.7° | 180.0° |
| C25 | C26 | C27 | H29 | 179.7° | 179.7° |
| C30 | C29 | C24 | C25 | 177.1° | 179.9° |
| C30 | C29 | C24 | C21 | 3.8° | 0.3° |
| C29 | C30 | H30 | H31 | 120.0° | 120.0° |
| C29 | C30 | H30 | H32 | 120.0° | 120.0° |
| C29 | C30 | H31 | H32 | 120.0° | 120.0° |
| C29 | C24 | C25 | C21 | 179.1° | 179.7° |
| C29 | C24 | C21 | C20 | 82.7° | 110.7° |
| C29 | C24 | C21 | C22 | 97.5° | 69.1° |
| C29 | C24 | C25 | H27 | 179.5° | 179.7° |
| C24 | C29 | C30 | H30 | 90.8° | 85.8° |
| C24 | C29 | C30 | H31 | 29.1° | 34.2° |
| C24 | C29 | C30 | H32 | 149.2° | 154.2° |
| C25 | C24 | C21 | C20 | 96.5° | 69.0° |
| C25 | C24 | C21 | C22 | 83.4° | 111.2° |
| C24 | C25 | C26 | H28 | 179.7° | 179.9° |
| C24 | C21 | C20 | C22 | 179.9° | 179.7° |
| C24 | C21 | C20 | C19 | 179.9° | 180.0° |
| C24 | C21 | C22 | C23 | 0.4° | 0.2° |
| C24 | C21 | C22 | C17 | 179.8° | 179.7° |
| C24 | C21 | C20 | H23 | 0.1° | 0.0° |
| C21 | C24 | C25 | H27 | 1.3° | 0.1° |
| C21 | C20 | C19 | H23 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 179.5° | 180.0° |
| C20 | C21 | C22 | C17 | 0.4° | 0.6° |
| C21 | C20 | C19 | C18 | 0.1° | 0.0° |
| C21 | C20 | C19 | H22 | 179.9° | 180.0° |
| C22 | C21 | C20 | C19 | 0.0° | 0.3° |
| C21 | C22 | C23 | C17 | 179.8° | 179.4° |
| C21 | C22 | C17 | C18 | 0.6° | 0.6° |
| C21 | C22 | C17 | C16 | 178.2° | 179.7° |
| C22 | C21 | C20 | H23 | 180.0° | 179.7° |
| C21 | C22 | C23 | H24 | 90.1° | 95.2° |
| C21 | C22 | C23 | H25 | 149.9° | 144.8° |
| C21 | C22 | C23 | H26 | 29.9° | 24.8° |
| C20 | C19 | C18 | H22 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C20 | C19 | C18 | H21 | 179.8° | 179.9° |
| C23 | C22 | C17 | C18 | 179.2° | 180.0° |
| C23 | C22 | C17 | C16 | 2.0° | 0.3° |
| C22 | C23 | H24 | H25 | 120.0° | 120.1° |
| C22 | C23 | H24 | H26 | 120.0° | 120.0° |
| C22 | C23 | H25 | H26 | 120.0° | 120.0° |
| C22 | C17 | C18 | C19 | 0.6° | 0.3° |
| C22 | C17 | C18 | C16 | 178.8° | 179.7° |
| C22 | C17 | C16 | O2 | 136.2° | 179.7° |
| C22 | C17 | C16 | H10 | 16.3° | 59.7° |
| C22 | C17 | C16 | H11 | 103.9° | 60.3° |
| C22 | C17 | C18 | H21 | 179.5° | 179.8° |
| C17 | C22 | C23 | H24 | 90.1° | 85.4° |
| C17 | C22 | C23 | H25 | 29.9° | 34.6° |
| C17 | C22 | C23 | H26 | 149.9° | 154.7° |
| C19 | C18 | C17 | H21 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 178.2° | 180.0° |
| C18 | C19 | C20 | H23 | 179.9° | 180.0° |
| C18 | C17 | C16 | O2 | 45.0° | 0.0° |
| C18 | C17 | C16 | H10 | 164.9° | 120.0° |
| C18 | C17 | C16 | H11 | 74.9° | 120.0° |
| C17 | C18 | C19 | H22 | 179.8° | 180.0° |
| C17 | C16 | O2 | H10 | 119.9° | 120.0° |
| C17 | C16 | O2 | H11 | 119.9° | 120.0° |
| C17 | C16 | O2 | C15 | 179.9° | 180.0° |
| C17 | C16 | H10 | H11 | 120.3° | 120.0° |
| C16 | C17 | C18 | H21 | 1.8° | 0.1° |
| C16 | O2 | C15 | C14 | 9.7° | 0.1° |
| C16 | O2 | C15 | C51 | 170.7° | 179.7° |
| O2 | C16 | H10 | H11 | 120.3° | 120.0° |
| O2 | C15 | C14 | C51 | 179.6° | 179.6° |
| O2 | C15 | C14 | C6 | 179.6° | 179.9° |
| O2 | C15 | C51 | C53 | 2.1° | 0.4° |
| O2 | C15 | C51 | C52 | 178.9° | 180.0° |
| O2 | C15 | C14 | H9 | 0.4° | 0.1° |
| C15 | O2 | C16 | H10 | 60.1° | 60.0° |
| C15 | O2 | C16 | H11 | 60.2° | 60.0° |
| C15 | C14 | C6 | H9 | 180.0° | 180.0° |
| C14 | C15 | C51 | C53 | 178.3° | 180.0° |
| C14 | C15 | C51 | C52 | 0.8° | 0.3° |
| C15 | C14 | C6 | O1 | 177.7° | 179.9° |
| C15 | C14 | C6 | C5 | 0.8° | 0.0° |
| C51 | C15 | C14 | C6 | 0.0° | 0.3° |
| C15 | C51 | C53 | C52 | 179.0° | 179.7° |
| C15 | C51 | C52 | C5 | 0.8° | 0.0° |
| C51 | C15 | C14 | H9 | 180.0° | 179.7° |
| C15 | C51 | C52 | H54 | 179.2° | 179.9° |
| C15 | C51 | C53 | H55 | 90.5° | 90.0° |
| C15 | C51 | C53 | H56 | 149.5° | 150.0° |
| C15 | C51 | C53 | H57 | 29.5° | 29.9° |
| C14 | C6 | O1 | C7 | 13.5° | 0.1° |
| C14 | C6 | O1 | C5 | 178.6° | 179.9° |
| C14 | C6 | C5 | C52 | 0.8° | 0.3° |
| C14 | C6 | C5 | C4 | 179.0° | 180.0° |
| C53 | C51 | C52 | C5 | 178.3° | 179.7° |
| C53 | C51 | C52 | H54 | 1.7° | 0.3° |
| C51 | C53 | H55 | H56 | 120.0° | 120.0° |
| C51 | C53 | H55 | H57 | 120.0° | 120.0° |
| C51 | C53 | H56 | H57 | 120.0° | 120.0° |
| N3 | C13 | C11 | C12 | 163.0° | 45.9° |
| N3 | C13 | C11 | C10 | 14.2° | 134.4° |
| C51 | C52 | C5 | C6 | 0.0° | 0.3° |
| C51 | C52 | C5 | H54 | 180.0° | 179.9° |
| C51 | C52 | C5 | C4 | 179.8° | 179.9° |
| C52 | C51 | C53 | H55 | 90.5° | 90.3° |
| C52 | C51 | C53 | H56 | 29.5° | 29.7° |
| C52 | C51 | C53 | H57 | 149.5° | 149.7° |
| C8 | C7 | O1 | H5 | 119.9° | 120.0° |
| C8 | C7 | O1 | H6 | 119.9° | 120.0° |
| C7 | C8 | C12 | C9 | 179.4° | 179.7° |
| C7 | C8 | C12 | C11 | 179.3° | 180.0° |
| C8 | C7 | O1 | C6 | 175.4° | 180.0° |
| C7 | C8 | C9 | N2 | 178.8° | 179.9° |
| C8 | C7 | H5 | H6 | 120.4° | 120.0° |
| C7 | C8 | C12 | H8 | 0.7° | 0.0° |
| C7 | C8 | C9 | H16 | 1.2° | 0.0° |
| O1 | C7 | C8 | C12 | 120.3° | 89.7° |
| C7 | O1 | C6 | C5 | 165.1° | 180.0° |
| O1 | C7 | C8 | C9 | 60.3° | 90.0° |
| O1 | C7 | H5 | H6 | 120.4° | 120.0° |
| C8 | C12 | C11 | H8 | 180.0° | 180.0° |
| C8 | C12 | C11 | C13 | 176.8° | 179.7° |
| C8 | C12 | C11 | C10 | 0.5° | 0.0° |
| C12 | C8 | C9 | N2 | 0.5° | 0.2° |
| C12 | C8 | C7 | H5 | 119.8° | 30.2° |
| C12 | C8 | C7 | H6 | 0.4° | 150.3° |
| C12 | C8 | C9 | H16 | 179.5° | 179.7° |
| C12 | C11 | C13 | C10 | 177.3° | 179.8° |
| C11 | C12 | C8 | C9 | 0.1° | 0.3° |
| C12 | C11 | C10 | N2 | 0.8° | 0.2° |
| C12 | C11 | C10 | H7 | 179.2° | 179.9° |
| C13 | C11 | C10 | N2 | 176.5° | 180.0° |
| C13 | C11 | C10 | H7 | 3.5° | 0.3° |
| C13 | C11 | C12 | H8 | 3.2° | 0.3° |
| O1 | C6 | C5 | C52 | 177.8° | 179.8° |
| O1 | C6 | C5 | C4 | 2.3° | 0.1° |
| C6 | O1 | C7 | H5 | 55.5° | 60.1° |
| C6 | O1 | C7 | H6 | 64.7° | 60.0° |
| O1 | C6 | C14 | H9 | 2.3° | 0.1° |
| C6 | C5 | C52 | C4 | 179.9° | 179.6° |
| C6 | C5 | C4 | N1 | 40.9° | 80.0° |
| C6 | C5 | C4 | H3 | 79.6° | 39.9° |
| C6 | C5 | C4 | H4 | 161.4° | 160.0° |
| C5 | C6 | C14 | H9 | 179.2° | 180.0° |
| C6 | C5 | C52 | H54 | 180.0° | 179.7° |
| C8 | C9 | N2 | H16 | 180.0° | 179.9° |
| C8 | C9 | N2 | C10 | 0.3° | 0.1° |
| C9 | C8 | C7 | H5 | 59.5° | 150.0° |
| C9 | C8 | C7 | H6 | 179.8° | 30.0° |
| C9 | C8 | C12 | H8 | 179.9° | 179.8° |
| C11 | C10 | N2 | C9 | 0.4° | 0.3° |
| C11 | C10 | N2 | H7 | 180.0° | 179.7° |
| C10 | C11 | C12 | H8 | 179.4° | 180.0° |
| C52 | C5 | C4 | N1 | 138.9° | 100.3° |
| C52 | C5 | C4 | H3 | 100.5° | 139.7° |
| C52 | C5 | C4 | H4 | 18.4° | 19.7° |
| C5 | C4 | N1 | H3 | 120.5° | 120.0° |
| C5 | C4 | N1 | H4 | 120.5° | 120.0° |
| C5 | C4 | N1 | C3 | 114.0° | 180.0° |
| C5 | C4 | N1 | H1 | 6.4° | 56.0° |
| C5 | C4 | H3 | H4 | 118.4° | 120.0° |
| C4 | C5 | C52 | H54 | 0.2° | 0.1° |
| C9 | N2 | C10 | H7 | 179.6° | 180.0° |
| C10 | N2 | C9 | H16 | 179.7° | 180.0° |
| C4 | N1 | C3 | H1 | 120.4° | 124.0° |
| C4 | N1 | C3 | C2 | 45.7° | 180.0° |
| N1 | C4 | H3 | H4 | 118.4° | 120.0° |
| C4 | N1 | C3 | H14 | 165.9° | 60.0° |
| C4 | N1 | C3 | H15 | 74.5° | 60.0° |
| N1 | C3 | C2 | H14 | 120.2° | 120.1° |
| N1 | C3 | C2 | H15 | 120.2° | 120.0° |
| N1 | C3 | C2 | N | 171.0° | 180.0° |
| C3 | N1 | C4 | H3 | 125.5° | 60.0° |
| C3 | N1 | C4 | H4 | 6.5° | 60.0° |
| N1 | C3 | C2 | H12 | 50.8° | 60.0° |
| N1 | C3 | C2 | H13 | 68.9° | 60.0° |
| N1 | C3 | H14 | H15 | 119.5° | 120.0° |
| C3 | C2 | N | H12 | 120.2° | 120.0° |
| C3 | C2 | N | H13 | 120.1° | 120.0° |
| C3 | C2 | N | C1 | 6.8° | 180.0° |
| C2 | C3 | N1 | H1 | 74.7° | 56.0° |
| C3 | C2 | H12 | H13 | 119.6° | 120.0° |
| C2 | C3 | H14 | H15 | 119.5° | 119.9° |
| C3 | C2 | N | H17 | 173.2° | 0.0° |
| C2 | N | C1 | H17 | 180.0° | 180.0° |
| C2 | N | C1 | O | 48.7° | 0.0° |
| C2 | N | C1 | C | 130.7° | 180.0° |
| N | C2 | H12 | H13 | 119.6° | 120.0° |
| N | C2 | C3 | H14 | 68.9° | 60.0° |
| N | C2 | C3 | H15 | 50.8° | 60.0° |
| N | C1 | O | C | 179.4° | 180.0° |
| C1 | N | C2 | H12 | 127.0° | 60.0° |
| C1 | N | C2 | H13 | 113.4° | 60.0° |
| N | C1 | C | H18 | 179.4° | 60.1° |
| N | C1 | C | H19 | 59.4° | 180.0° |
| N | C1 | C | H20 | 60.6° | 60.0° |
| O | C1 | N | H17 | 131.3° | 180.0° |
| O | C1 | C | H18 | 0.0° | 120.0° |
| O | C1 | C | H19 | 120.0° | 0.0° |
| O | C1 | C | H20 | 120.0° | 120.0° |
| C | C1 | N | H17 | 49.3° | 0.0° |
| C1 | C | H18 | H19 | 120.0° | 120.0° |
| C1 | C | H18 | H20 | 120.0° | 120.0° |
| C1 | C | H19 | H20 | 120.0° | 120.0° |
| H1 | N1 | C4 | H3 | 114.1° | 64.0° |
| H1 | N1 | C4 | H4 | 126.9° | 176.0° |
| H1 | N1 | C3 | H14 | 45.4° | 176.0° |
| H1 | N1 | C3 | H15 | 165.1° | 64.0° |
| H12 | C2 | C3 | H14 | 171.0° | 180.0° |
| H12 | C2 | C3 | H15 | 69.4° | 60.0° |
| H12 | C2 | N | H17 | 53.1° | 120.1° |
| H13 | C2 | C3 | H14 | 51.3° | 60.1° |
| H13 | C2 | C3 | H15 | 170.9° | NaN° |
| H13 | C2 | N | H17 | 66.6° | 120.0° |
| H18 | C | H19 | H20 | 120.0° | 120.0° |
| H21 | C18 | C19 | H22 | 0.2° | 0.1° |
| H22 | C19 | C20 | H23 | 0.1° | 0.0° |
| H24 | C23 | H25 | H26 | 120.0° | 119.9° |
| H27 | C25 | C26 | H28 | 0.3° | 0.0° |
| H28 | C26 | C27 | H29 | 0.3° | 0.2° |
| H30 | C30 | H31 | H32 | 120.0° | 120.0° |
| H36 | C36 | N4 | H58 | 172.2° | 176.0° |
| H37 | C36 | N4 | H58 | 69.1° | 64.0° |
| H38 | C37 | C38 | H40 | 67.6° | 60.0° |
| H38 | C37 | C38 | H41 | 173.0° | 179.9° |
| H38 | C37 | N4 | H58 | 52.4° | 64.0° |
| H39 | C37 | C38 | H40 | 52.0° | 180.0° |
| H39 | C37 | C38 | H41 | 67.5° | 60.0° |
| H39 | C37 | N4 | H58 | 67.2° | 176.0° |
| H40 | C38 | N5 | H60 | 97.5° | 120.0° |
| H41 | C38 | N5 | H60 | 22.0° | 120.0° |
| H42 | C40 | H43 | H44 | 120.0° | 120.0° |
| H46 | C43 | H47 | H48 | 120.0° | 119.9° |
| H55 | C53 | H56 | H57 | 120.0° | 120.0° |
