BHW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C54 | C52 | sing | 1.40Å | 1.40Å | Aromatic |
| C54 | C53 | doub | 1.35Å | 1.37Å | Aromatic |
| C52 | C51 | doub | 1.38Å | 1.54Å | Aromatic |
| C53 | C55 | sing | 1.51Å | 1.50Å | |
| C53 | N5 | sing | 1.35Å | 1.45Å | Aromatic |
| C49 | O17 | sing | 1.43Å | 1.41Å | |
| C51 | N5 | sing | 1.38Å | 1.30Å | Aromatic |
| C51 | C50 | sing | 1.46Å | 1.48Å | |
| O18 | C43 | sing | 1.43Å | 1.43Å | |
| O19 | C50 | sing | 1.35Å | 1.35Å | |
| O19 | C44 | sing | 1.45Å | 1.44Å | |
| O17 | C45 | sing | 1.43Å | 1.42Å | |
| C45 | C44 | sing | 1.53Å | 1.52Å | |
| C45 | C46 | sing | 1.53Å | 1.58Å | |
| C50 | O20 | doub | 1.22Å | 1.21Å | |
| C47 | C46 | sing | 1.53Å | 1.52Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C43 | C42 | sing | 1.53Å | 1.53Å | |
| C46 | O16 | sing | 1.43Å | 1.46Å | |
| C46 | C48 | sing | 1.53Å | 1.52Å | |
| O16 | C42 | sing | 1.43Å | 1.43Å | |
| C42 | O13 | sing | 1.43Å | 1.41Å | |
| O13 | C38 | sing | 1.36Å | 1.38Å | |
| C37 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | C36 | sing | 1.37Å | 1.38Å | Aromatic |
| C38 | C39 | sing | 1.39Å | 1.41Å | Aromatic |
| C36 | C34 | doub | 1.40Å | 1.40Å | Aromatic |
| C39 | C40 | sing | 1.51Å | 1.51Å | |
| C39 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.41Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.47Å | 1.46Å | |
| C33 | O11 | sing | 1.35Å | 1.38Å | |
| O12 | C35 | sing | 1.35Å | 1.34Å | |
| O11 | C32 | sing | 1.34Å | 1.38Å | |
| C35 | C31 | doub | 1.38Å | 1.37Å | |
| C31 | C32 | sing | 1.41Å | 1.51Å | |
| C31 | N4 | sing | 1.40Å | 1.39Å | |
| C32 | O14 | doub | 1.22Å | 1.21Å | |
| N4 | C30 | sing | 1.35Å | 1.37Å | |
| O10 | C30 | doub | 1.22Å | 1.23Å | |
| C30 | C27 | sing | 1.47Å | 1.46Å | |
| C27 | N3 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | doub | 1.36Å | 1.52Å | Aromatic |
| N3 | C26 | sing | 1.34Å | 1.36Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.50Å | |
| C28 | C25 | sing | 1.41Å | 1.44Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.47Å | 1.50Å | |
| C24 | N2 | sing | 1.35Å | 1.37Å | |
| C24 | O9 | doub | 1.22Å | 1.24Å | |
| N2 | C22 | sing | 1.41Å | 1.40Å | |
| O8 | C23 | doub | 1.22Å | 1.21Å | |
| C23 | C22 | sing | 1.41Å | 1.52Å | |
| C23 | O7 | sing | 1.34Å | 1.38Å | |
| C22 | C21 | doub | 1.38Å | 1.37Å | |
| O7 | C17 | sing | 1.35Å | 1.38Å | |
| C21 | O6 | sing | 1.35Å | 1.34Å | |
| C21 | C18 | sing | 1.47Å | 1.45Å | |
| C17 | C18 | doub | 1.41Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C41 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.37Å | 1.38Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | O5 | sing | 1.36Å | 1.38Å | |
| O5 | C9 | sing | 1.43Å | 1.41Å | |
| C14 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | O3 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| O1 | C6 | doub | 1.22Å | 1.21Å | |
| O3 | C10 | sing | 1.43Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.60Å | |
| C10 | C13 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C11 | sing | 1.53Å | 1.52Å | |
| C7 | O2 | sing | 1.45Å | 1.44Å | |
| C8 | O15 | sing | 1.43Å | 1.43Å | |
| C6 | O2 | sing | 1.35Å | 1.34Å | |
| C6 | C5 | sing | 1.46Å | 1.47Å | |
| O4 | C11 | sing | 1.43Å | 1.42Å | |
| O4 | C12 | sing | 1.43Å | 1.41Å | |
| N1 | C5 | sing | 1.38Å | 1.26Å | Aromatic |
| N1 | C2 | sing | 1.35Å | 1.44Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.54Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.35Å | 1.36Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| O6 | H8 | sing | 0.97Å | 0.95Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| N3 | H25 | sing | 0.97Å | 1.00Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å | |
| O12 | H30 | sing | 0.97Å | 0.95Å | |
| C36 | H31 | sing | 1.08Å | 1.08Å | |
| C37 | H32 | sing | 1.08Å | 1.08Å | |
| C40 | H33 | sing | 1.09Å | 1.10Å | |
| C40 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C41 | H36 | sing | 1.09Å | 1.10Å | |
| C41 | H37 | sing | 1.09Å | 1.10Å | |
| C41 | H38 | sing | 1.09Å | 1.10Å | |
| O15 | H39 | sing | 0.97Å | 0.95Å | |
| C42 | H40 | sing | 1.09Å | 1.10Å | |
| C43 | H41 | sing | 1.09Å | 1.10Å | |
| C44 | H42 | sing | 1.09Å | 1.10Å | |
| C45 | H43 | sing | 1.09Å | 1.10Å | |
| C47 | H44 | sing | 1.09Å | 1.10Å | |
| C47 | H45 | sing | 1.09Å | 1.10Å | |
| C47 | H46 | sing | 1.09Å | 1.10Å | |
| C48 | H47 | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H49 | sing | 1.09Å | 1.10Å | |
| O18 | H50 | sing | 0.97Å | 0.95Å | |
| C49 | H51 | sing | 1.09Å | 1.10Å | |
| C49 | H52 | sing | 1.09Å | 1.10Å | |
| C49 | H53 | sing | 1.09Å | 1.10Å | |
| C52 | H54 | sing | 1.08Å | 1.08Å | |
| N5 | H55 | sing | 0.97Å | 1.00Å | |
| C54 | H56 | sing | 1.08Å | 1.08Å | |
| C55 | H57 | sing | 1.09Å | 1.10Å | |
| C55 | H58 | sing | 1.09Å | 1.10Å | |
| C55 | H59 | sing | 1.09Å | 1.10Å | |
| N2 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C52 | C54 | C53 | 108.4° | 107.8° |
| C54 | C52 | C51 | 103.5° | 107.0° |
| C54 | C52 | H54 | 128.2° | 126.5° |
| C52 | C54 | H56 | 125.8° | 126.1° |
| C54 | C53 | C55 | 133.8° | 125.5° |
| C54 | C53 | N5 | 111.2° | 109.0° |
| C53 | C54 | H56 | 125.8° | 126.1° |
| C52 | C51 | N5 | 110.5° | 107.5° |
| C52 | C51 | C50 | 128.9° | 126.2° |
| C51 | C52 | H54 | 128.3° | 126.6° |
| C55 | C53 | N5 | 115.0° | 125.5° |
| C53 | C55 | H57 | 109.5° | 109.5° |
| C53 | C55 | H58 | 109.5° | 109.5° |
| C53 | C55 | H59 | 109.5° | 109.4° |
| C53 | N5 | C51 | 106.3° | 108.7° |
| C53 | N5 | H55 | 126.8° | 125.6° |
| C49 | O17 | C45 | 114.6° | 114.0° |
| O17 | C49 | H51 | 109.5° | 109.5° |
| O17 | C49 | H52 | 109.5° | 109.5° |
| O17 | C49 | H53 | 109.5° | 109.4° |
| N5 | C51 | C50 | 120.5° | 126.3° |
| C51 | N5 | H55 | 126.8° | 125.7° |
| C51 | C50 | O19 | 109.9° | 120.0° |
| C51 | C50 | O20 | 124.8° | 120.0° |
| O18 | C43 | C44 | 113.4° | 109.5° |
| O18 | C43 | C42 | 110.7° | 109.5° |
| O18 | C43 | H41 | 108.4° | 109.5° |
| C43 | O18 | H50 | 109.5° | 114.0° |
| C50 | O19 | C44 | 119.8° | 117.0° |
| O19 | C50 | O20 | 125.3° | 120.0° |
| O19 | C44 | C45 | 108.8° | 109.6° |
| O19 | C44 | C43 | 114.0° | 109.6° |
| O19 | C44 | H42 | 108.2° | 109.6° |
| O17 | C45 | C44 | 110.0° | 109.5° |
| O17 | C45 | C46 | 111.0° | 109.5° |
| O17 | C45 | H43 | 110.0° | 109.6° |
| C44 | C45 | C46 | 109.1° | 109.2° |
| C45 | C44 | C43 | 111.2° | 109.0° |
| C45 | C44 | H42 | 107.2° | 109.5° |
| C44 | C45 | H43 | 108.7° | 109.5° |
| C45 | C46 | C47 | 109.7° | 109.5° |
| C45 | C46 | O16 | 113.0° | 109.4° |
| C45 | C46 | C48 | 113.3° | 109.5° |
| C46 | C45 | H43 | 107.9° | 109.5° |
| C47 | C46 | O16 | 101.2° | 109.5° |
| C47 | C46 | C48 | 109.4° | 109.5° |
| C46 | C47 | H44 | 109.5° | 109.5° |
| C46 | C47 | H45 | 109.5° | 109.5° |
| C46 | C47 | H46 | 109.5° | 109.5° |
| C44 | C43 | C42 | 109.8° | 109.2° |
| C44 | C43 | H41 | 107.1° | 109.5° |
| C43 | C44 | H42 | 107.2° | 109.6° |
| C43 | C42 | O16 | 116.4° | 109.5° |
| C43 | C42 | O13 | 106.2° | 109.5° |
| C43 | C42 | H40 | 107.2° | 109.5° |
| C42 | C43 | H41 | 107.1° | 109.5° |
| O16 | C46 | C48 | 109.5° | 109.5° |
| C46 | O16 | C42 | 123.9° | 114.1° |
| C46 | C48 | H47 | 109.5° | 109.5° |
| C46 | C48 | H48 | 109.5° | 109.5° |
| C46 | C48 | H49 | 109.5° | 109.5° |
| O16 | C42 | O13 | 109.7° | 109.5° |
| O16 | C42 | H40 | 108.4° | 109.4° |
| C42 | O13 | C38 | 119.9° | 117.0° |
| O13 | C42 | H40 | 108.7° | 109.5° |
| O13 | C38 | C37 | 123.6° | 119.7° |
| O13 | C38 | C39 | 114.5° | 119.7° |
| C38 | C37 | C36 | 119.7° | 120.4° |
| C37 | C38 | C39 | 121.8° | 120.5° |
| C38 | C37 | H32 | 120.2° | 119.8° |
| C37 | C36 | C34 | 120.5° | 119.8° |
| C37 | C36 | H31 | 119.7° | 120.1° |
| C36 | C37 | H32 | 120.1° | 119.8° |
| C38 | C39 | C40 | 121.7° | 120.1° |
| C38 | C39 | C33 | 116.7° | 119.8° |
| C36 | C34 | C33 | 118.7° | 120.1° |
| C36 | C34 | C35 | 123.4° | 120.9° |
| C34 | C36 | H31 | 119.8° | 120.1° |
| C40 | C39 | C33 | 121.4° | 120.1° |
| C39 | C40 | H33 | 109.5° | 109.4° |
| C39 | C40 | H34 | 109.4° | 109.5° |
| C39 | C40 | H35 | 109.5° | 109.5° |
| C39 | C33 | C34 | 122.5° | 119.4° |
| C39 | C33 | O11 | 115.7° | 120.6° |
| C33 | C34 | C35 | 118.0° | 119.0° |
| C34 | C33 | O11 | 121.8° | 120.0° |
| C34 | C35 | O12 | 116.1° | 121.0° |
| C34 | C35 | C31 | 120.8° | 117.9° |
| C33 | O11 | C32 | 122.6° | 121.9° |
| O12 | C35 | C31 | 123.0° | 121.1° |
| C35 | O12 | H30 | 109.5° | 114.0° |
| O11 | C32 | C31 | 116.9° | 121.7° |
| O11 | C32 | O14 | 116.2° | 119.1° |
| C35 | C31 | C32 | 119.6° | 119.5° |
| C35 | C31 | N4 | 128.1° | 120.2° |
| C32 | C31 | N4 | 111.6° | 120.2° |
| C31 | C32 | O14 | 126.9° | 119.1° |
| C31 | N4 | C30 | 126.9° | 120.0° |
| C31 | N4 | H29 | 116.6° | 120.0° |
| N4 | C30 | O10 | 123.1° | 120.0° |
| N4 | C30 | C27 | 116.5° | 120.0° |
| C30 | N4 | H29 | 116.6° | 120.0° |
| O10 | C30 | C27 | 120.4° | 120.0° |
| C30 | C27 | N3 | 126.7° | 125.9° |
| C30 | C27 | C28 | 129.1° | 125.8° |
| N3 | C27 | C28 | 104.2° | 108.3° |
| C27 | N3 | C26 | 110.8° | 109.2° |
| C27 | N3 | H25 | 124.6° | 125.3° |
| C27 | C28 | C29 | 127.0° | 126.5° |
| C27 | C28 | C25 | 106.6° | 107.0° |
| N3 | C26 | C25 | 112.4° | 108.4° |
| N3 | C26 | H24 | 123.8° | 125.8° |
| C26 | N3 | H25 | 124.6° | 125.5° |
| C29 | C28 | C25 | 126.3° | 126.5° |
| C28 | C29 | H26 | 109.5° | 109.5° |
| C28 | C29 | H27 | 109.5° | 109.4° |
| C28 | C29 | H28 | 109.5° | 109.5° |
| C28 | C25 | C26 | 105.9° | 107.0° |
| C28 | C25 | C24 | 129.9° | 126.5° |
| C26 | C25 | C24 | 124.2° | 126.5° |
| C25 | C26 | H24 | 123.8° | 125.8° |
| C25 | C24 | N2 | 115.6° | 120.0° |
| C25 | C24 | O9 | 121.1° | 120.0° |
| N2 | C24 | O9 | 123.2° | 120.0° |
| C24 | N2 | C22 | 128.2° | 120.0° |
| C24 | N2 | H23 | 115.9° | 120.0° |
| N2 | C22 | C23 | 111.3° | 120.3° |
| N2 | C22 | C21 | 129.6° | 120.2° |
| C22 | N2 | H23 | 115.9° | 120.0° |
| O8 | C23 | C22 | 126.4° | 119.1° |
| O8 | C23 | O7 | 116.2° | 119.2° |
| C22 | C23 | O7 | 117.3° | 121.7° |
| C23 | C22 | C21 | 118.8° | 119.5° |
| C23 | O7 | C17 | 122.8° | 121.9° |
| C22 | C21 | O6 | 123.2° | 121.1° |
| C22 | C21 | C18 | 121.4° | 117.9° |
| O7 | C17 | C18 | 121.6° | 120.1° |
| O7 | C17 | C16 | 116.0° | 120.6° |
| O6 | C21 | C18 | 115.3° | 121.0° |
| C21 | O6 | H8 | 109.5° | 114.0° |
| C21 | C18 | C17 | 118.0° | 118.9° |
| C21 | C18 | C19 | 123.1° | 120.9° |
| C18 | C17 | C16 | 122.4° | 119.3° |
| C17 | C18 | C19 | 118.7° | 120.1° |
| C17 | C16 | C41 | 121.7° | 120.1° |
| C17 | C16 | C15 | 116.8° | 119.8° |
| C18 | C19 | C20 | 120.4° | 119.8° |
| C18 | C19 | H21 | 119.8° | 120.1° |
| C41 | C16 | C15 | 121.4° | 120.2° |
| C16 | C41 | H36 | 109.5° | 109.5° |
| C16 | C41 | H37 | 109.4° | 109.5° |
| C16 | C41 | H38 | 109.5° | 109.5° |
| C16 | C15 | C20 | 121.8° | 120.6° |
| C16 | C15 | O5 | 114.3° | 119.7° |
| C19 | C20 | C15 | 119.7° | 120.4° |
| C20 | C19 | H21 | 119.8° | 120.1° |
| C19 | C20 | H22 | 120.2° | 119.8° |
| C20 | C15 | O5 | 123.9° | 119.7° |
| C15 | C20 | H22 | 120.1° | 119.8° |
| C15 | O5 | C9 | 119.6° | 117.0° |
| O5 | C9 | O3 | 112.2° | 109.5° |
| O5 | C9 | C8 | 106.3° | 109.5° |
| O5 | C9 | H10 | 108.9° | 109.5° |
| C14 | C10 | O3 | 109.6° | 109.5° |
| C14 | C10 | C11 | 115.4° | 109.5° |
| C14 | C10 | C13 | 109.3° | 109.5° |
| C10 | C14 | H18 | 109.5° | 109.4° |
| C10 | C14 | H19 | 109.5° | 109.5° |
| C10 | C14 | H20 | 109.5° | 109.4° |
| O3 | C9 | C8 | 113.0° | 109.5° |
| C9 | O3 | C10 | 125.1° | 114.1° |
| O3 | C9 | H10 | 108.7° | 109.4° |
| C9 | C8 | C7 | 109.3° | 109.1° |
| C9 | C8 | O15 | 109.9° | 109.5° |
| C9 | C8 | H9 | 107.2° | 109.5° |
| C8 | C9 | H10 | 107.5° | 109.5° |
| O1 | C6 | O2 | 125.4° | 120.0° |
| O1 | C6 | C5 | 124.6° | 120.0° |
| O3 | C10 | C11 | 110.0° | 109.4° |
| O3 | C10 | C13 | 103.0° | 109.5° |
| C11 | C10 | C13 | 108.8° | 109.5° |
| C10 | C11 | C7 | 110.8° | 109.2° |
| C10 | C11 | O4 | 109.7° | 109.5° |
| C10 | C11 | H11 | 107.8° | 109.6° |
| C10 | C13 | H15 | 109.5° | 109.4° |
| C10 | C13 | H16 | 109.5° | 109.5° |
| C10 | C13 | H17 | 109.5° | 109.4° |
| C8 | C7 | C11 | 111.4° | 109.1° |
| C8 | C7 | O2 | 112.9° | 109.6° |
| C7 | C8 | O15 | 114.6° | 109.5° |
| C8 | C7 | H6 | 107.8° | 109.5° |
| C7 | C8 | H9 | 107.1° | 109.5° |
| C11 | C7 | O2 | 107.8° | 109.6° |
| C7 | C11 | O4 | 109.6° | 109.5° |
| C11 | C7 | H6 | 107.9° | 109.5° |
| C7 | C11 | H11 | 108.8° | 109.5° |
| C7 | O2 | C6 | 119.0° | 117.0° |
| O2 | C7 | H6 | 108.9° | 109.6° |
| O15 | C8 | H9 | 108.4° | 109.6° |
| C8 | O15 | H39 | 109.5° | 114.0° |
| O2 | C6 | C5 | 110.0° | 120.0° |
| C6 | C5 | N1 | 123.7° | 126.3° |
| C6 | C5 | C4 | 123.8° | 126.3° |
| C11 | O4 | C12 | 114.7° | 114.0° |
| O4 | C11 | H11 | 110.1° | 109.5° |
| O4 | C12 | H12 | 109.5° | 109.5° |
| O4 | C12 | H13 | 109.5° | 109.5° |
| O4 | C12 | H14 | 109.5° | 109.5° |
| C5 | N1 | C2 | 106.1° | 108.7° |
| N1 | C5 | C4 | 112.5° | 107.4° |
| C5 | N1 | H7 | 126.9° | 125.6° |
| N1 | C2 | C1 | 116.3° | 125.5° |
| N1 | C2 | C3 | 111.3° | 109.0° |
| C2 | N1 | H7 | 127.0° | 125.7° |
| C5 | C4 | C3 | 101.7° | 107.0° |
| C5 | C4 | H5 | 129.1° | 126.5° |
| C1 | C2 | C3 | 132.3° | 125.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C3 | C4 | 108.4° | 107.9° |
| C2 | C3 | H4 | 125.8° | 126.1° |
| C4 | C3 | H4 | 125.8° | 126.0° |
| C3 | C4 | H5 | 129.2° | 126.6° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H12 | C12 | H14 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.4° | 109.5° |
| H15 | C13 | H16 | 109.4° | 109.5° |
| H15 | C13 | H17 | 109.5° | 109.4° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.4° | 109.5° |
| H18 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H26 | C29 | H27 | 109.5° | 109.5° |
| H26 | C29 | H28 | 109.4° | 109.5° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| H33 | C40 | H34 | 109.5° | 109.5° |
| H33 | C40 | H35 | 109.4° | 109.5° |
| H34 | C40 | H35 | 109.5° | 109.5° |
| H36 | C41 | H37 | 109.5° | 109.4° |
| H36 | C41 | H38 | 109.5° | 109.5° |
| H37 | C41 | H38 | 109.5° | 109.5° |
| H44 | C47 | H45 | 109.4° | 109.4° |
| H44 | C47 | H46 | 109.4° | 109.4° |
| H45 | C47 | H46 | 109.5° | 109.4° |
| H47 | C48 | H48 | 109.5° | 109.5° |
| H47 | C48 | H49 | 109.5° | 109.4° |
| H48 | C48 | H49 | 109.4° | 109.4° |
| H51 | C49 | H52 | 109.5° | 109.4° |
| H51 | C49 | H53 | 109.4° | 109.4° |
| H52 | C49 | H53 | 109.5° | 109.5° |
| H57 | C55 | H58 | 109.4° | 109.5° |
| H57 | C55 | H59 | 109.5° | 109.4° |
| H58 | C55 | H59 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C52 | C54 | C53 | H56 | 180.0° | 179.7° |
| C54 | C52 | C51 | H54 | 180.0° | 180.0° |
| C52 | C54 | C53 | C55 | 178.1° | 180.0° |
| C52 | C54 | C53 | N5 | 0.5° | 0.5° |
| C54 | C52 | C51 | N5 | 0.4° | 0.0° |
| C54 | C52 | C51 | C50 | 178.7° | 179.7° |
| C53 | C54 | C52 | C51 | 0.1° | 0.3° |
| C54 | C53 | C55 | N5 | 178.5° | 179.5° |
| C54 | C53 | N5 | C51 | 0.7° | 0.5° |
| C53 | C54 | C52 | H54 | 179.9° | 179.8° |
| C54 | C53 | N5 | H55 | 179.3° | 179.6° |
| C54 | C53 | C55 | H57 | 91.0° | 90.6° |
| C54 | C53 | C55 | H58 | 149.0° | 29.5° |
| C54 | C53 | C55 | H59 | 29.0° | 149.5° |
| C52 | C51 | N5 | C53 | 0.7° | 0.3° |
| C52 | C51 | N5 | C50 | 179.2° | 179.7° |
| C52 | C51 | C50 | O19 | 15.3° | 179.7° |
| C52 | C51 | C50 | O20 | 165.1° | 0.3° |
| C52 | C51 | N5 | H55 | 179.4° | 179.8° |
| C51 | C52 | C54 | H56 | 179.9° | 179.9° |
| C55 | C53 | N5 | C51 | 178.1° | 180.0° |
| C55 | C53 | N5 | H55 | 1.9° | 0.0° |
| C55 | C53 | C54 | H56 | 1.9° | 0.3° |
| C53 | C55 | H57 | H58 | 120.0° | 120.0° |
| C53 | C55 | H57 | H59 | 120.0° | 120.0° |
| C53 | C55 | H58 | H59 | 120.0° | 120.0° |
| C53 | N5 | C51 | H55 | 180.0° | 180.0° |
| C53 | N5 | C51 | C50 | 178.6° | 180.0° |
| N5 | C53 | C54 | H56 | 179.5° | 179.9° |
| N5 | C53 | C55 | H57 | 90.5° | 89.9° |
| N5 | C53 | C55 | H58 | 29.5° | 150.0° |
| N5 | C53 | C55 | H59 | 149.5° | 30.0° |
| C49 | O17 | C45 | C44 | 117.0° | 90.0° |
| C49 | O17 | C45 | C46 | 122.2° | 150.3° |
| C49 | O17 | C45 | H43 | 2.8° | 30.2° |
| O17 | C49 | H51 | H52 | 120.0° | 120.1° |
| O17 | C49 | H51 | H53 | 120.0° | 120.0° |
| O17 | C49 | H52 | H53 | 120.0° | 120.0° |
| N5 | C51 | C50 | O19 | 165.6° | 0.1° |
| N5 | C51 | C50 | O20 | 14.0° | 179.9° |
| N5 | C51 | C52 | H54 | 179.6° | 179.9° |
| C51 | C50 | O19 | O20 | 179.6° | 180.0° |
| C51 | C50 | O19 | C44 | 170.8° | 180.0° |
| C50 | C51 | C52 | H54 | 1.2° | 0.3° |
| C50 | C51 | N5 | H55 | 1.4° | 0.1° |
| O18 | C43 | C44 | O19 | 58.6° | 57.0° |
| O18 | C43 | C44 | C45 | 64.8° | 176.9° |
| O18 | C43 | C44 | C42 | 124.4° | 119.9° |
| O18 | C43 | C44 | H41 | 119.5° | 120.1° |
| O18 | C43 | C42 | H41 | 118.0° | 120.2° |
| O18 | C43 | C42 | O16 | 85.8° | 177.5° |
| O18 | C43 | C42 | O13 | 151.7° | 62.5° |
| O18 | C43 | C42 | H40 | 35.6° | 57.6° |
| O18 | C43 | C44 | H42 | 178.3° | 63.2° |
| C50 | O19 | C44 | C45 | 158.5° | 150.4° |
| C50 | O19 | C44 | C43 | 76.7° | 90.0° |
| C50 | O19 | C44 | H42 | 42.4° | 30.2° |
| O19 | C44 | C45 | O17 | 50.4° | 177.2° |
| O19 | C44 | C45 | C43 | 126.3° | 119.9° |
| O19 | C44 | C45 | H42 | 116.8° | 120.2° |
| O19 | C44 | C45 | C46 | 172.4° | 62.9° |
| C44 | O19 | C50 | O20 | 9.5° | 0.0° |
| O19 | C44 | C43 | H42 | 119.7° | 120.2° |
| O19 | C44 | C43 | C42 | 177.0° | 63.0° |
| O19 | C44 | C43 | H41 | 61.0° | 177.1° |
| O19 | C44 | C45 | H43 | 70.1° | 56.9° |
| O17 | C45 | C44 | C46 | 122.0° | 119.9° |
| O17 | C45 | C44 | H43 | 120.6° | 120.2° |
| O17 | C45 | C46 | H43 | 120.7° | 120.2° |
| O17 | C45 | C46 | C47 | 83.3° | 177.7° |
| O17 | C45 | C44 | C43 | 176.8° | 62.9° |
| O17 | C45 | C46 | O16 | 164.6° | 62.3° |
| O17 | C45 | C46 | C48 | 39.2° | 57.7° |
| O17 | C45 | C44 | H42 | 66.4° | 56.9° |
| C45 | O17 | C49 | H51 | 180.0° | 60.0° |
| C45 | O17 | C49 | H52 | 60.0° | 60.0° |
| C45 | O17 | C49 | H53 | 60.0° | 180.0° |
| C44 | C45 | C46 | H43 | 117.9° | 119.9° |
| C44 | C45 | C46 | C47 | 155.3° | 62.4° |
| C45 | C44 | C43 | H42 | 116.9° | 119.8° |
| C45 | C44 | C43 | C42 | 59.6° | 57.0° |
| C44 | C45 | C46 | O16 | 43.2° | 57.6° |
| C44 | C45 | C46 | C48 | 82.2° | 177.6° |
| C45 | C44 | C43 | H41 | 175.6° | 62.9° |
| C45 | C46 | C47 | O16 | 119.6° | 119.9° |
| C45 | C46 | C47 | C48 | 124.8° | 120.1° |
| C46 | C45 | C44 | C43 | 61.2° | 57.0° |
| C45 | C46 | O16 | C48 | 127.4° | 120.0° |
| C45 | C46 | O16 | C42 | 27.4° | 61.1° |
| C46 | C45 | C44 | H42 | 55.6° | 176.9° |
| C45 | C46 | C47 | H44 | 180.0° | 50.0° |
| C45 | C46 | C47 | H45 | 60.0° | 170.0° |
| C45 | C46 | C47 | H46 | 60.0° | 70.1° |
| C45 | C46 | C48 | H47 | 180.0° | 60.0° |
| C45 | C46 | C48 | H48 | 60.0° | 180.0° |
| C45 | C46 | C48 | H49 | 60.0° | 60.0° |
| C47 | C46 | O16 | C48 | 115.4° | 120.0° |
| C47 | C46 | O16 | C42 | 144.6° | 58.9° |
| C47 | C46 | C45 | H43 | 37.4° | 57.5° |
| C46 | C47 | H44 | H45 | 120.0° | 120.1° |
| C46 | C47 | H44 | H46 | 120.0° | 120.1° |
| C46 | C47 | H45 | H46 | 120.0° | 120.0° |
| C47 | C46 | C48 | H47 | 57.3° | 180.0° |
| C47 | C46 | C48 | H48 | 62.7° | 59.9° |
| C47 | C46 | C48 | H49 | 177.3° | 60.0° |
| C44 | C43 | C42 | H41 | 116.0° | 119.9° |
| C44 | C43 | C42 | O16 | 40.2° | 57.6° |
| C44 | C43 | C42 | O13 | 82.3° | 177.6° |
| C44 | C43 | C42 | H40 | 161.7° | 62.4° |
| C43 | C44 | C45 | H43 | 56.2° | 176.9° |
| C44 | C43 | O18 | H50 | 180.0° | 179.7° |
| C43 | C42 | O16 | C46 | 26.3° | 61.1° |
| C43 | C42 | O16 | O13 | 120.6° | 120.0° |
| C43 | C42 | O16 | H40 | 120.9° | 120.0° |
| C43 | C42 | O13 | H40 | 115.1° | 120.0° |
| C43 | C42 | O13 | C38 | 169.9° | 175.0° |
| C42 | C43 | C44 | H42 | 57.2° | 176.8° |
| C42 | C43 | O18 | H50 | 56.0° | 60.0° |
| C46 | O16 | C42 | O13 | 94.3° | 178.9° |
| C46 | O16 | C42 | H40 | 147.2° | 58.9° |
| O16 | C46 | C45 | H43 | 74.8° | 177.5° |
| O16 | C46 | C47 | H44 | 60.4° | 169.9° |
| O16 | C46 | C47 | H45 | 59.6° | 70.1° |
| O16 | C46 | C47 | H46 | 179.6° | 49.9° |
| O16 | C46 | C48 | H47 | 52.8° | 60.0° |
| O16 | C46 | C48 | H48 | 172.8° | 60.1° |
| O16 | C46 | C48 | H49 | 67.2° | 180.0° |
| C48 | C46 | O16 | C42 | 99.9° | 178.9° |
| C48 | C46 | C45 | H43 | 159.9° | 62.5° |
| C48 | C46 | C47 | H44 | 55.2° | 70.1° |
| C48 | C46 | C47 | H45 | 175.1° | 49.9° |
| C48 | C46 | C47 | H46 | 64.8° | 169.9° |
| C46 | C48 | H47 | H48 | 120.0° | 120.1° |
| C46 | C48 | H47 | H49 | 120.0° | 120.0° |
| C46 | C48 | H48 | H49 | 120.0° | 120.0° |
| O16 | C42 | O13 | H40 | 118.3° | 119.9° |
| O16 | C42 | O13 | C38 | 43.3° | 65.0° |
| O16 | C42 | C43 | H41 | 156.2° | 62.3° |
| C42 | O13 | C38 | C37 | 26.3° | 0.1° |
| C42 | O13 | C38 | C39 | 157.9° | 180.0° |
| O13 | C42 | C43 | H41 | 33.7° | 57.7° |
| O13 | C38 | C37 | C39 | 175.5° | 179.9° |
| O13 | C38 | C37 | C36 | 175.5° | 179.9° |
| O13 | C38 | C39 | C40 | 10.5° | 0.0° |
| O13 | C38 | C39 | C33 | 173.5° | 179.9° |
| O13 | C38 | C37 | H32 | 4.5° | 0.1° |
| C38 | O13 | C42 | H40 | 75.0° | 54.9° |
| C38 | C37 | C36 | H32 | 180.0° | 180.0° |
| C38 | C37 | C36 | C34 | 1.3° | 0.0° |
| C37 | C38 | C39 | C40 | 173.5° | 179.9° |
| C37 | C38 | C39 | C33 | 2.5° | 0.0° |
| C38 | C37 | C36 | H31 | 178.7° | 180.0° |
| C36 | C37 | C38 | C39 | 0.0° | 0.0° |
| C37 | C36 | C34 | H31 | 180.0° | 180.0° |
| C37 | C36 | C34 | C33 | 0.1° | 0.0° |
| C37 | C36 | C34 | C35 | 178.4° | 179.8° |
| C38 | C39 | C40 | C33 | 175.8° | 180.0° |
| C38 | C39 | C33 | C34 | 3.7° | 0.0° |
| C38 | C39 | C33 | O11 | 176.7° | 179.9° |
| C39 | C38 | C37 | H32 | 180.0° | 180.0° |
| C38 | C39 | C40 | H33 | 92.1° | 90.0° |
| C38 | C39 | C40 | H34 | 147.9° | 150.0° |
| C38 | C39 | C40 | H35 | 27.9° | 30.0° |
| C36 | C34 | C33 | C39 | 2.5° | 0.0° |
| C36 | C34 | C33 | C35 | 178.4° | 179.8° |
| C36 | C34 | C33 | O11 | 177.9° | 180.0° |
| C36 | C34 | C35 | O12 | 2.2° | 0.2° |
| C36 | C34 | C35 | C31 | 178.1° | 179.7° |
| C34 | C36 | C37 | H32 | 178.7° | 180.0° |
| C40 | C39 | C33 | C34 | 172.3° | 179.9° |
| C40 | C39 | C33 | O11 | 7.3° | 0.1° |
| C39 | C40 | H33 | H34 | 120.0° | 120.0° |
| C39 | C40 | H33 | H35 | 120.0° | 120.0° |
| C39 | C40 | H34 | H35 | 120.0° | 120.0° |
| C39 | C33 | C34 | O11 | 179.6° | 180.0° |
| C39 | C33 | C34 | C35 | 175.9° | 179.8° |
| C39 | C33 | O11 | C32 | 176.4° | 180.0° |
| C33 | C39 | C40 | H33 | 92.1° | 90.0° |
| C33 | C39 | C40 | H34 | 27.9° | 29.9° |
| C33 | C39 | C40 | H35 | 147.9° | 150.0° |
| C33 | C34 | C35 | O12 | 179.5° | 180.0° |
| C34 | C33 | O11 | C32 | 3.2° | 0.0° |
| C33 | C34 | C35 | C31 | 0.2° | 0.5° |
| C33 | C34 | C36 | H31 | 179.9° | 180.0° |
| C35 | C34 | C33 | O11 | 3.7° | 0.3° |
| C34 | C35 | O12 | C31 | 179.8° | 179.5° |
| C34 | C35 | C31 | C32 | 4.4° | 0.5° |
| C34 | C35 | C31 | N4 | 165.3° | 179.8° |
| C34 | C35 | O12 | H30 | 175.9° | 180.0° |
| C35 | C34 | C36 | H31 | 1.6° | 0.2° |
| C33 | O11 | C32 | C31 | 1.1° | 0.0° |
| C33 | O11 | C32 | O14 | 177.4° | 180.0° |
| O12 | C35 | C31 | C32 | 175.3° | 180.0° |
| O12 | C35 | C31 | N4 | 14.9° | 0.3° |
| O11 | C32 | C31 | C35 | 4.9° | 0.2° |
| O11 | C32 | C31 | O14 | 178.3° | 180.0° |
| O11 | C32 | C31 | N4 | 166.5° | 180.0° |
| C35 | C31 | C32 | N4 | 171.4° | 179.7° |
| C35 | C31 | C32 | O14 | 173.4° | 179.7° |
| C35 | C31 | N4 | C30 | 56.9° | 120.8° |
| C35 | C31 | N4 | H29 | 123.1° | 59.2° |
| C31 | C35 | O12 | H30 | 3.9° | 0.5° |
| C32 | C31 | N4 | C30 | 132.6° | 59.5° |
| C32 | C31 | N4 | H29 | 47.4° | 120.5° |
| N4 | C31 | C32 | O14 | 15.3° | 0.0° |
| C31 | N4 | C30 | H29 | 180.0° | 180.0° |
| C31 | N4 | C30 | O10 | 71.6° | 4.8° |
| C31 | N4 | C30 | C27 | 107.1° | 175.2° |
| N4 | C30 | O10 | C27 | 178.7° | 180.0° |
| N4 | C30 | C27 | N3 | 4.1° | 0.1° |
| N4 | C30 | C27 | C28 | 177.2° | 179.8° |
| O10 | C30 | C27 | N3 | 174.7° | 180.0° |
| O10 | C30 | C27 | C28 | 4.0° | 0.2° |
| O10 | C30 | N4 | H29 | 108.4° | 175.2° |
| C30 | C27 | N3 | C28 | 179.0° | 179.8° |
| C30 | C27 | N3 | C26 | 179.6° | 179.9° |
| C30 | C27 | C28 | C29 | 3.3° | 0.1° |
| C30 | C27 | C28 | C25 | 179.6° | 179.8° |
| C30 | C27 | N3 | H25 | 0.4° | 0.0° |
| C27 | C30 | N4 | H29 | 72.9° | 4.8° |
| C27 | N3 | C26 | H25 | 180.0° | 179.9° |
| N3 | C27 | C28 | C29 | 175.6° | 179.9° |
| N3 | C27 | C28 | C25 | 1.5° | 0.3° |
| C27 | N3 | C26 | C25 | 0.6° | 0.0° |
| C27 | N3 | C26 | H24 | 179.4° | 180.0° |
| C28 | C27 | N3 | C26 | 0.6° | 0.2° |
| C27 | C28 | C29 | C25 | 176.6° | 179.7° |
| C27 | C28 | C25 | C26 | 1.8° | 0.3° |
| C27 | C28 | C25 | C24 | 178.9° | 179.9° |
| C28 | C27 | N3 | H25 | 179.4° | 179.9° |
| C27 | C28 | C29 | H26 | 91.7° | 90.0° |
| C27 | C28 | C29 | H27 | 148.2° | 150.1° |
| C27 | C28 | C29 | H28 | 28.2° | 30.1° |
| N3 | C26 | C25 | C28 | 1.5° | 0.2° |
| N3 | C26 | C25 | H24 | 180.0° | 179.9° |
| N3 | C26 | C25 | C24 | 178.8° | 180.0° |
| C29 | C28 | C25 | C26 | 175.3° | 180.0° |
| C29 | C28 | C25 | C24 | 1.7° | 0.2° |
| C28 | C29 | H26 | H27 | 120.1° | 120.0° |
| C28 | C29 | H26 | H28 | 120.0° | 120.0° |
| C28 | C29 | H27 | H28 | 120.0° | 120.0° |
| C28 | C25 | C26 | C24 | 177.3° | 179.8° |
| C28 | C25 | C24 | N2 | 8.4° | 179.7° |
| C28 | C25 | C24 | O9 | 166.8° | 0.2° |
| C28 | C25 | C26 | H24 | 178.5° | 179.8° |
| C25 | C28 | C29 | H26 | 91.7° | 90.4° |
| C25 | C28 | C29 | H27 | 28.3° | 29.6° |
| C25 | C28 | C29 | H28 | 148.3° | 149.6° |
| C26 | C25 | C24 | N2 | 175.0° | 0.0° |
| C26 | C25 | C24 | O9 | 9.8° | 180.0° |
| C25 | C26 | N3 | H25 | 179.4° | 179.9° |
| C25 | C24 | N2 | O9 | 175.1° | 179.9° |
| C25 | C24 | N2 | C22 | 155.2° | 175.4° |
| C24 | C25 | C26 | H24 | 1.2° | 0.0° |
| C25 | C24 | N2 | H23 | 24.9° | 4.7° |
| C24 | N2 | C22 | H23 | 180.0° | 179.9° |
| C24 | N2 | C22 | C23 | 166.1° | 60.9° |
| C24 | N2 | C22 | C21 | 7.2° | 119.2° |
| O9 | C24 | N2 | C22 | 29.7° | 4.5° |
| O9 | C24 | N2 | H23 | 150.2° | 175.4° |
| N2 | C22 | C23 | O8 | 8.6° | 0.0° |
| N2 | C22 | C23 | C21 | 174.2° | 179.9° |
| N2 | C22 | C23 | O7 | 172.4° | 180.0° |
| N2 | C22 | C21 | O6 | 17.3° | 0.1° |
| N2 | C22 | C21 | C18 | 168.4° | 180.0° |
| O8 | C23 | C22 | O7 | 179.1° | 180.0° |
| O8 | C23 | C22 | C21 | 177.3° | 179.9° |
| O8 | C23 | O7 | C17 | 179.6° | 180.0° |
| C22 | C23 | O7 | C17 | 0.5° | 0.0° |
| C23 | C22 | C21 | O6 | 169.7° | 180.0° |
| C23 | C22 | C21 | C18 | 4.6° | 0.1° |
| C23 | C22 | N2 | H23 | 13.9° | 119.1° |
| O7 | C23 | C22 | C21 | 1.8° | 0.1° |
| C23 | O7 | C17 | C18 | 0.1° | 0.0° |
| C23 | O7 | C17 | C16 | 177.5° | 180.0° |
| C22 | C21 | O6 | C18 | 174.6° | 179.9° |
| C22 | C21 | C18 | C17 | 5.1° | 0.1° |
| C22 | C21 | C18 | C19 | 171.1° | 180.0° |
| C22 | C21 | O6 | H8 | 35.9° | 0.1° |
| C21 | C22 | N2 | H23 | 172.8° | 60.8° |
| O7 | C17 | C18 | C21 | 2.7° | 0.1° |
| O7 | C17 | C18 | C16 | 177.3° | 180.0° |
| O7 | C17 | C18 | C19 | 173.6° | 180.0° |
| O7 | C17 | C16 | C41 | 10.0° | 0.0° |
| O7 | C17 | C16 | C15 | 173.1° | 180.0° |
| O6 | C21 | C18 | C17 | 169.7° | 180.0° |
| O6 | C21 | C18 | C19 | 14.2° | 0.0° |
| C21 | C18 | C17 | C19 | 176.3° | 180.0° |
| C21 | C18 | C17 | C16 | 180.0° | 180.0° |
| C21 | C18 | C19 | C20 | 176.3° | 179.9° |
| C18 | C21 | O6 | H8 | 149.5° | 180.0° |
| C21 | C18 | C19 | H21 | 3.6° | 0.0° |
| C18 | C17 | C16 | C41 | 172.6° | 180.0° |
| C18 | C17 | C16 | C15 | 4.3° | 0.1° |
| C17 | C18 | C19 | C20 | 0.2° | 0.0° |
| C17 | C18 | C19 | H21 | 179.7° | 180.0° |
| C16 | C17 | C18 | C19 | 3.7° | 0.0° |
| C17 | C16 | C41 | C15 | 176.8° | 180.0° |
| C17 | C16 | C15 | C20 | 1.6° | 0.0° |
| C17 | C16 | C15 | O5 | 177.7° | 179.7° |
| C17 | C16 | C41 | H36 | 88.4° | 90.0° |
| C17 | C16 | C41 | H37 | 151.6° | 30.0° |
| C17 | C16 | C41 | H38 | 31.6° | 150.0° |
| C18 | C19 | C20 | H21 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 2.3° | 0.1° |
| C18 | C19 | C20 | H22 | 177.7° | 179.7° |
| C41 | C16 | C15 | C20 | 175.3° | 180.0° |
| C41 | C16 | C15 | O5 | 5.4° | 0.3° |
| C16 | C41 | H36 | H37 | 120.0° | 120.0° |
| C16 | C41 | H36 | H38 | 120.0° | 120.0° |
| C16 | C41 | H37 | H38 | 120.0° | 120.0° |
| C16 | C15 | C20 | C19 | 1.6° | 0.0° |
| C16 | C15 | C20 | O5 | 179.2° | 179.7° |
| C16 | C15 | O5 | C9 | 163.5° | 179.8° |
| C16 | C15 | C20 | H22 | 178.4° | 179.8° |
| C15 | C16 | C41 | H36 | 88.4° | 90.0° |
| C15 | C16 | C41 | H37 | 31.6° | 150.1° |
| C15 | C16 | C41 | H38 | 151.6° | 30.0° |
| C19 | C20 | C15 | H22 | 180.0° | 179.8° |
| C19 | C20 | C15 | O5 | 179.2° | 179.8° |
| C20 | C15 | O5 | C9 | 17.2° | 0.0° |
| C15 | C20 | C19 | H21 | 177.7° | 180.0° |
| C15 | O5 | C9 | O3 | 48.6° | 65.0° |
| C15 | O5 | C9 | C8 | 172.6° | 175.0° |
| C15 | O5 | C9 | H10 | 71.8° | 55.0° |
| O5 | C15 | C20 | H22 | 0.8° | 0.0° |
| O5 | C9 | O3 | C8 | 120.2° | 120.0° |
| O5 | C9 | O3 | H10 | 120.5° | 120.0° |
| O5 | C9 | C8 | H10 | 116.6° | 120.0° |
| O5 | C9 | O3 | C10 | 80.8° | 178.9° |
| O5 | C9 | C8 | C7 | 75.4° | 177.6° |
| O5 | C9 | C8 | O15 | 158.1° | 62.5° |
| O5 | C9 | C8 | H9 | 40.4° | 57.7° |
| C14 | C10 | O3 | C9 | 92.4° | 178.9° |
| C14 | C10 | O3 | C11 | 127.9° | 120.0° |
| C14 | C10 | O3 | C13 | 116.2° | 120.0° |
| C14 | C10 | C11 | C13 | 123.2° | 120.0° |
| C14 | C10 | C11 | C7 | 82.1° | 177.6° |
| C14 | C10 | C11 | O4 | 39.1° | 57.7° |
| C14 | C10 | C11 | H11 | 159.0° | 62.5° |
| C14 | C10 | C13 | H15 | 180.0° | 170.0° |
| C14 | C10 | C13 | H16 | 60.0° | 70.0° |
| C14 | C10 | C13 | H17 | 60.0° | 50.1° |
| C10 | C14 | H18 | H19 | 120.0° | 120.0° |
| C10 | C14 | H18 | H20 | 120.0° | 119.9° |
| C10 | C14 | H19 | H20 | 120.0° | 120.0° |
| O3 | C9 | C8 | H10 | 119.9° | 120.0° |
| C9 | O3 | C10 | C11 | 35.5° | 61.1° |
| C9 | O3 | C10 | C13 | 151.4° | 58.9° |
| O3 | C9 | C8 | C7 | 48.2° | 57.6° |
| O3 | C9 | C8 | O15 | 78.4° | 177.5° |
| O3 | C9 | C8 | H9 | 163.9° | 62.3° |
| C8 | C9 | O3 | C10 | 39.4° | 61.1° |
| C9 | C8 | C7 | O15 | 123.9° | 119.9° |
| C9 | C8 | C7 | H9 | 115.8° | 119.9° |
| C9 | C8 | C7 | C11 | 60.6° | 57.0° |
| C9 | C8 | C7 | O2 | 177.9° | 62.9° |
| C9 | C8 | O15 | H9 | 116.9° | 120.2° |
| C9 | C8 | C7 | H6 | 57.6° | 176.8° |
| C9 | C8 | O15 | H39 | 180.0° | 60.3° |
| O1 | C6 | O2 | C7 | 6.8° | 0.0° |
| O1 | C6 | O2 | C5 | 179.9° | 180.0° |
| O1 | C6 | C5 | N1 | 17.5° | 179.7° |
| O1 | C6 | C5 | C4 | 160.1° | 0.0° |
| O3 | C10 | C11 | C13 | 112.2° | 120.0° |
| O3 | C10 | C11 | C7 | 42.5° | 57.6° |
| O3 | C10 | C11 | O4 | 163.7° | 62.3° |
| C10 | O3 | C9 | H10 | 158.7° | 58.9° |
| O3 | C10 | C11 | H11 | 76.4° | 177.5° |
| O3 | C10 | C13 | H15 | 63.6° | 49.9° |
| O3 | C10 | C13 | H16 | 176.4° | 169.9° |
| O3 | C10 | C13 | H17 | 56.4° | 70.0° |
| O3 | C10 | C14 | H18 | 180.0° | 59.9° |
| O3 | C10 | C14 | H19 | 60.0° | 180.0° |
| O3 | C10 | C14 | H20 | 60.0° | 60.0° |
| C10 | C11 | C7 | C8 | 58.2° | 57.0° |
| C10 | C11 | C7 | O4 | 121.3° | 119.9° |
| C10 | C11 | C7 | H11 | 118.3° | 120.0° |
| C10 | C11 | C7 | O2 | 177.4° | 62.9° |
| C10 | C11 | O4 | H11 | 118.5° | 120.2° |
| C10 | C11 | O4 | C12 | 125.9° | 150.3° |
| C10 | C11 | C7 | H6 | 59.9° | 176.8° |
| C11 | C10 | C13 | H15 | 53.1° | 70.0° |
| C11 | C10 | C13 | H16 | 66.8° | 50.0° |
| C11 | C10 | C13 | H17 | 173.2° | 170.1° |
| C11 | C10 | C14 | H18 | 55.2° | 179.9° |
| C11 | C10 | C14 | H19 | 64.8° | 60.0° |
| C11 | C10 | C14 | H20 | 175.2° | 60.0° |
| C13 | C10 | C11 | C7 | 154.7° | 62.4° |
| C13 | C10 | C11 | O4 | 84.1° | 177.7° |
| C13 | C10 | C11 | H11 | 35.8° | 57.5° |
| C10 | C13 | H15 | H16 | 120.0° | 120.0° |
| C10 | C13 | H15 | H17 | 120.0° | 119.9° |
| C10 | C13 | H16 | H17 | 120.0° | 120.0° |
| C13 | C10 | C14 | H18 | 67.8° | 60.1° |
| C13 | C10 | C14 | H19 | 172.2° | 59.9° |
| C13 | C10 | C14 | H20 | 52.2° | 180.0° |
| C8 | C7 | C11 | O2 | 124.4° | 119.9° |
| C8 | C7 | C11 | H6 | 118.1° | 119.8° |
| C8 | C7 | O2 | H6 | 119.6° | 120.2° |
| C7 | C8 | O15 | H9 | 119.6° | 120.1° |
| C8 | C7 | O2 | C6 | 82.0° | 90.0° |
| C8 | C7 | C11 | O4 | 179.5° | 62.9° |
| C7 | C8 | C9 | H10 | 168.1° | 62.4° |
| C8 | C7 | C11 | H11 | 60.1° | 177.0° |
| C7 | C8 | O15 | H39 | 56.4° | 180.0° |
| C11 | C7 | O2 | H6 | 116.8° | 120.2° |
| C11 | C7 | C8 | O15 | 63.2° | 176.9° |
| C11 | C7 | O2 | C6 | 154.5° | 150.4° |
| C7 | C11 | O4 | H11 | 119.6° | 120.1° |
| C7 | C11 | O4 | C12 | 112.2° | 90.0° |
| C11 | C7 | C8 | H9 | 176.5° | 62.9° |
| O2 | C7 | C8 | O15 | 58.3° | 57.0° |
| C7 | O2 | C6 | C5 | 173.1° | 180.0° |
| O2 | C7 | C11 | O4 | 56.1° | 177.2° |
| O2 | C7 | C8 | H9 | 62.0° | 177.2° |
| O2 | C7 | C11 | H11 | 64.3° | 57.1° |
| O15 | C8 | C7 | H6 | 178.5° | 63.3° |
| O15 | C8 | C9 | H10 | 41.5° | 57.5° |
| O2 | C6 | C5 | N1 | 162.6° | 0.3° |
| O2 | C6 | C5 | C4 | 19.8° | 180.0° |
| C6 | O2 | C7 | H6 | 37.6° | 30.2° |
| C6 | C5 | N1 | C4 | 177.9° | 179.7° |
| C6 | C5 | N1 | C2 | 177.0° | 179.9° |
| C6 | C5 | C4 | C3 | 177.5° | 180.0° |
| C6 | C5 | C4 | H5 | 2.5° | 0.0° |
| C6 | C5 | N1 | H7 | 3.0° | 0.3° |
| O4 | C11 | C7 | H6 | 61.3° | 56.9° |
| C11 | O4 | C12 | H12 | 180.0° | 180.0° |
| C11 | O4 | C12 | H13 | 60.0° | 60.0° |
| C11 | O4 | C12 | H14 | 60.0° | 60.0° |
| C12 | O4 | C11 | H11 | 7.4° | 30.1° |
| O4 | C12 | H12 | H13 | 120.0° | 120.0° |
| O4 | C12 | H12 | H14 | 120.0° | 120.0° |
| O4 | C12 | H13 | H14 | 120.0° | 120.0° |
| C5 | N1 | C2 | H7 | 180.0° | 179.6° |
| C5 | N1 | C2 | C1 | 176.9° | 179.9° |
| C5 | N1 | C2 | C3 | 1.1° | 0.4° |
| N1 | C5 | C4 | C3 | 0.4° | 0.2° |
| N1 | C5 | C4 | H5 | 179.6° | 179.7° |
| C2 | N1 | C5 | C4 | 0.9° | 0.4° |
| N1 | C2 | C1 | C3 | 177.5° | 179.7° |
| N1 | C2 | C3 | C4 | 0.9° | 0.3° |
| N1 | C2 | C1 | H1 | 89.1° | 90.3° |
| N1 | C2 | C1 | H2 | 150.9° | 29.7° |
| N1 | C2 | C1 | H3 | 30.9° | 149.7° |
| N1 | C2 | C3 | H4 | 179.2° | 179.8° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C5 | C4 | C3 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | H4 | 179.7° | 180.0° |
| C4 | C5 | N1 | H7 | 179.1° | 180.0° |
| C1 | C2 | C3 | C4 | 176.8° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 3.2° | 0.1° |
| C1 | C2 | N1 | H7 | 3.1° | 0.3° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 88.4° | 90.1° |
| C3 | C2 | C1 | H2 | 31.6° | 150.0° |
| C3 | C2 | C1 | H3 | 151.6° | 29.9° |
| C2 | C3 | C4 | H5 | 179.7° | 180.0° |
| C3 | C2 | N1 | H7 | 178.9° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 0.3° | 0.1° |
| H6 | C7 | C8 | H9 | 58.2° | 56.9° |
| H6 | C7 | C11 | H11 | 178.3° | 63.2° |
| H9 | C8 | C9 | H10 | 76.1° | 177.7° |
| H9 | C8 | O15 | H39 | 63.1° | 59.9° |
| H12 | C12 | H13 | H14 | 120.0° | 120.0° |
| H15 | C13 | H16 | H17 | 120.0° | 120.0° |
| H18 | C14 | H19 | H20 | 120.0° | 120.0° |
| H21 | C19 | C20 | H22 | 2.3° | 0.2° |
| H24 | C26 | N3 | H25 | 0.6° | 0.2° |
| H26 | C29 | H27 | H28 | 119.9° | 120.0° |
| H31 | C36 | C37 | H32 | 1.4° | 0.0° |
| H33 | C40 | H34 | H35 | 120.0° | 120.0° |
| H36 | C41 | H37 | H38 | 120.0° | 120.0° |
| H40 | C42 | C43 | H41 | 82.3° | 177.7° |
| H41 | C43 | C44 | H42 | 58.8° | 56.9° |
| H41 | C43 | O18 | H50 | 61.2° | 60.2° |
| H42 | C44 | C45 | H43 | 173.0° | 63.3° |
| H44 | C47 | H45 | H46 | 120.0° | 119.9° |
| H47 | C48 | H48 | H49 | 120.0° | 119.9° |
| H51 | C49 | H52 | H53 | 119.9° | 119.9° |
| H54 | C52 | C54 | H56 | 0.1° | 0.1° |
| H57 | C55 | H58 | H59 | 120.0° | 120.0° |
