ZWW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C40 | doub | 1.21Å | 1.25Å | |
| C40 | O16 | sing | 1.34Å | 1.26Å | |
| C40 | C39 | sing | 1.51Å | 1.50Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C38 | C6 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | sing | 1.51Å | 1.56Å | |
| C4 | C5 | sing | 1.51Å | 1.55Å | |
| O2 | C5 | doub | 1.21Å | 1.27Å | |
| C6 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.35Å | 1.37Å | Aromatic |
| C3 | C2 | doub | 1.35Å | 1.37Å | Aromatic |
| C5 | O1 | sing | 1.34Å | 1.25Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | N4 | sing | 1.36Å | 1.33Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.57Å | |
| C2 | N4 | sing | 1.36Å | 1.32Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| O6 | C19 | doub | 1.21Å | 1.25Å | |
| O4 | C12 | doub | 1.21Å | 1.26Å | |
| C9 | N3 | sing | 1.36Å | 1.32Å | Aromatic |
| C9 | C10 | doub | 1.35Å | 1.42Å | Aromatic |
| N3 | C14 | sing | 1.36Å | 1.32Å | Aromatic |
| C19 | O5 | sing | 1.34Å | 1.24Å | |
| C19 | C18 | sing | 1.51Å | 1.47Å | |
| O3 | C12 | sing | 1.34Å | 1.28Å | |
| C12 | C11 | sing | 1.51Å | 1.54Å | |
| C14 | C15 | sing | 1.51Å | 1.58Å | |
| C14 | C13 | doub | 1.35Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.58Å | |
| C10 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.55Å | |
| C18 | C17 | sing | 1.51Å | 1.52Å | |
| C13 | C35 | sing | 1.51Å | 1.54Å | |
| C16 | C17 | doub | 1.35Å | 1.40Å | Aromatic |
| C16 | N2 | sing | 1.36Å | 1.33Å | Aromatic |
| C17 | C20 | sing | 1.41Å | 1.40Å | Aromatic |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| N2 | C21 | sing | 1.36Å | 1.33Å | Aromatic |
| C20 | C32 | sing | 1.51Å | 1.55Å | |
| C20 | C21 | doub | 1.35Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.51Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C21 | C22 | sing | 1.51Å | 1.57Å | |
| C33 | C34 | sing | 1.51Å | 1.56Å | |
| O14 | C37 | doub | 1.21Å | 1.27Å | |
| C34 | O11 | doub | 1.21Å | 1.26Å | |
| C34 | O12 | sing | 1.34Å | 1.27Å | |
| C37 | O13 | sing | 1.34Å | 1.26Å | |
| C22 | C23 | sing | 1.51Å | 1.56Å | |
| N1 | C23 | sing | 1.36Å | 1.34Å | Aromatic |
| N1 | C28 | sing | 1.36Å | 1.34Å | Aromatic |
| C23 | C24 | doub | 1.35Å | 1.38Å | Aromatic |
| C28 | C41 | sing | 1.51Å | 1.56Å | |
| C28 | C27 | doub | 1.35Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.55Å | |
| C24 | C27 | sing | 1.41Å | 1.41Å | Aromatic |
| C41 | C42 | sing | 1.51Å | 1.55Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| N5 | C42 | sing | 1.36Å | 1.33Å | Aromatic |
| N5 | C45 | sing | 1.36Å | 1.32Å | Aromatic |
| C27 | C29 | sing | 1.51Å | 1.58Å | |
| C42 | C43 | doub | 1.35Å | 1.37Å | Aromatic |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.51Å | 1.55Å | |
| C45 | C44 | doub | 1.35Å | 1.39Å | Aromatic |
| C26 | O8 | doub | 1.21Å | 1.26Å | |
| C26 | O7 | sing | 1.34Å | 1.26Å | |
| O10 | C31 | doub | 1.21Å | 1.25Å | |
| C31 | O9 | sing | 1.34Å | 1.27Å | |
| C43 | C44 | sing | 1.41Å | 1.40Å | Aromatic |
| C43 | C46 | sing | 1.51Å | 1.59Å | |
| C44 | C48 | sing | 1.51Å | 1.59Å | |
| O17 | C49 | doub | 1.21Å | 1.26Å | |
| C46 | C47 | sing | 1.51Å | 1.53Å | |
| O18 | C49 | sing | 1.34Å | 1.25Å | |
| C49 | C50 | sing | 1.51Å | 1.49Å | |
| C48 | C50 | sing | 1.53Å | 1.55Å | |
| O20 | C47 | doub | 1.21Å | 1.25Å | |
| C47 | O19 | sing | 1.34Å | 1.27Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.09Å | 1.10Å | |
| C32 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C4 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C45 | H35 | sing | 1.08Å | 1.08Å | |
| C46 | H36 | sing | 1.09Å | 1.10Å | |
| C46 | H37 | sing | 1.09Å | 1.10Å | |
| C48 | H38 | sing | 1.09Å | 1.10Å | |
| C48 | H39 | sing | 1.09Å | 1.10Å | |
| C50 | H40 | sing | 1.09Å | 1.10Å | |
| C50 | H41 | sing | 1.09Å | 1.10Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| N1 | H44 | sing | 0.97Å | 1.00Å | |
| N2 | H45 | sing | 0.97Å | 1.00Å | |
| N3 | H46 | sing | 0.97Å | 1.00Å | |
| N5 | H47 | sing | 0.97Å | 1.00Å | |
| O1 | H48 | sing | 0.97Å | 0.95Å | |
| O12 | H49 | sing | 0.97Å | 0.95Å | |
| O13 | H50 | sing | 0.97Å | 0.95Å | |
| O16 | H51 | sing | 0.97Å | 0.95Å | |
| O18 | H52 | sing | 0.97Å | 0.95Å | |
| O19 | H53 | sing | 0.97Å | 0.95Å | |
| O3 | H54 | sing | 0.97Å | 0.95Å | |
| O5 | H55 | sing | 0.97Å | 0.95Å | |
| O7 | H56 | sing | 0.97Å | 0.95Å | |
| O9 | H57 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C40 | O16 | 121.4° | 120.0° |
| O15 | C40 | C39 | 118.4° | 120.0° |
| O16 | C40 | C39 | 120.2° | 120.0° |
| C40 | O16 | H51 | 109.5° | 117.0° |
| C40 | C39 | C38 | 106.9° | 109.5° |
| C40 | C39 | H29 | 110.1° | 109.5° |
| C40 | C39 | H30 | 110.1° | 109.5° |
| C39 | C38 | C6 | 118.1° | 109.5° |
| C39 | C38 | H27 | 107.3° | 109.4° |
| C39 | C38 | H28 | 107.3° | 109.5° |
| C38 | C39 | H29 | 110.1° | 109.5° |
| C38 | C39 | H30 | 110.1° | 109.4° |
| C38 | C6 | C3 | 121.4° | 126.3° |
| C38 | C6 | C7 | 131.1° | 126.3° |
| C6 | C38 | H27 | 107.3° | 109.5° |
| C6 | C38 | H28 | 107.3° | 109.5° |
| C3 | C4 | C5 | 112.6° | 109.4° |
| C4 | C3 | C6 | 125.6° | 126.3° |
| C4 | C3 | C2 | 128.3° | 126.3° |
| C3 | C4 | H31 | 108.7° | 109.4° |
| C3 | C4 | H32 | 108.7° | 109.5° |
| C4 | C5 | O2 | 119.9° | 120.0° |
| C4 | C5 | O1 | 120.5° | 120.0° |
| C5 | C4 | H31 | 108.7° | 109.5° |
| C5 | C4 | H32 | 108.7° | 109.5° |
| O2 | C5 | O1 | 119.6° | 120.0° |
| C3 | C6 | C7 | 107.4° | 107.4° |
| C6 | C3 | C2 | 106.1° | 107.4° |
| C6 | C7 | C8 | 126.5° | 125.9° |
| C6 | C7 | N4 | 107.0° | 108.2° |
| C3 | C2 | N4 | 108.3° | 108.2° |
| C3 | C2 | C1 | 124.9° | 125.9° |
| C5 | O1 | H48 | 109.5° | 117.0° |
| C8 | C7 | N4 | 126.6° | 125.9° |
| C7 | C8 | C9 | 115.7° | 109.4° |
| C7 | C8 | H42 | 107.9° | 109.5° |
| C7 | C8 | H43 | 107.9° | 109.5° |
| C7 | N4 | C2 | 111.2° | 108.7° |
| C7 | N4 | H12 | 124.4° | 125.6° |
| C8 | C9 | N3 | 124.2° | 125.9° |
| C8 | C9 | C10 | 127.8° | 125.9° |
| C9 | C8 | H42 | 107.9° | 109.5° |
| C9 | C8 | H43 | 107.9° | 109.5° |
| N4 | C2 | C1 | 126.8° | 125.9° |
| C2 | N4 | H12 | 124.4° | 125.7° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| O6 | C19 | O5 | 121.0° | 120.0° |
| O6 | C19 | C18 | 117.5° | 120.0° |
| O4 | C12 | O3 | 122.2° | 120.0° |
| O4 | C12 | C11 | 120.0° | 120.0° |
| N3 | C9 | C10 | 108.0° | 108.3° |
| C9 | N3 | C14 | 111.3° | 108.7° |
| C9 | N3 | H46 | 124.4° | 125.7° |
| C9 | C10 | C11 | 129.2° | 126.3° |
| C9 | C10 | C13 | 106.1° | 107.4° |
| N3 | C14 | C15 | 124.0° | 125.9° |
| N3 | C14 | C13 | 108.5° | 108.3° |
| C14 | N3 | H46 | 124.4° | 125.6° |
| O5 | C19 | C18 | 121.5° | 120.0° |
| C19 | O5 | H55 | 109.5° | 117.0° |
| C19 | C18 | C17 | 117.6° | 109.5° |
| C19 | C18 | H13 | 107.4° | 109.5° |
| C19 | C18 | H14 | 107.4° | 109.5° |
| O3 | C12 | C11 | 117.8° | 120.0° |
| C12 | O3 | H54 | 109.5° | 117.0° |
| C12 | C11 | C10 | 115.9° | 109.5° |
| C12 | C11 | H4 | 107.9° | 109.5° |
| C12 | C11 | H5 | 107.8° | 109.5° |
| C15 | C14 | C13 | 127.5° | 125.8° |
| C14 | C15 | C16 | 104.5° | 109.4° |
| C14 | C15 | H6 | 110.7° | 109.5° |
| C14 | C15 | H7 | 110.7° | 109.5° |
| C14 | C13 | C10 | 106.1° | 107.4° |
| C14 | C13 | C35 | 126.6° | 126.4° |
| C11 | C10 | C13 | 124.7° | 126.3° |
| C10 | C11 | H4 | 107.8° | 109.4° |
| C10 | C11 | H5 | 107.8° | 109.5° |
| C10 | C13 | C35 | 127.2° | 126.3° |
| C15 | C16 | C17 | 127.2° | 125.9° |
| C15 | C16 | N2 | 123.6° | 125.9° |
| C16 | C15 | H6 | 110.7° | 109.5° |
| C16 | C15 | H7 | 110.7° | 109.4° |
| C18 | C17 | C16 | 128.5° | 126.2° |
| C18 | C17 | C20 | 125.7° | 126.3° |
| C17 | C18 | H13 | 107.4° | 109.5° |
| C17 | C18 | H14 | 107.4° | 109.4° |
| C13 | C35 | C36 | 119.7° | 109.5° |
| C13 | C35 | H23 | 106.8° | 109.5° |
| C13 | C35 | H24 | 106.9° | 109.5° |
| C17 | C16 | N2 | 109.2° | 108.2° |
| C16 | C17 | C20 | 105.7° | 107.4° |
| C16 | N2 | C21 | 109.6° | 108.8° |
| C16 | N2 | H45 | 125.2° | 125.6° |
| C17 | C20 | C32 | 126.9° | 126.3° |
| C17 | C20 | C21 | 106.4° | 107.4° |
| C35 | C36 | C37 | 109.6° | 109.5° |
| C36 | C35 | H23 | 106.9° | 109.5° |
| C36 | C35 | H24 | 106.8° | 109.5° |
| C35 | C36 | H25 | 109.4° | 109.5° |
| C35 | C36 | H26 | 109.5° | 109.5° |
| N2 | C21 | C20 | 109.2° | 108.2° |
| N2 | C21 | C22 | 124.2° | 125.9° |
| C21 | N2 | H45 | 125.2° | 125.6° |
| C32 | C20 | C21 | 126.7° | 126.3° |
| C20 | C32 | C33 | 105.9° | 109.5° |
| C20 | C32 | H10 | 110.4° | 109.4° |
| C20 | C32 | H11 | 110.4° | 109.5° |
| C20 | C21 | C22 | 126.6° | 125.9° |
| C36 | C37 | O14 | 119.9° | 120.0° |
| C36 | C37 | O13 | 118.9° | 120.0° |
| C37 | C36 | H25 | 109.4° | 109.5° |
| C37 | C36 | H26 | 109.4° | 109.5° |
| C32 | C33 | C34 | 111.6° | 109.4° |
| C33 | C32 | H10 | 110.3° | 109.5° |
| C33 | C32 | H11 | 110.3° | 109.5° |
| C32 | C33 | H21 | 109.0° | 109.4° |
| C32 | C33 | H22 | 108.9° | 109.5° |
| C21 | C22 | C23 | 113.9° | 109.5° |
| C21 | C22 | H17 | 108.4° | 109.4° |
| C21 | C22 | H18 | 108.4° | 109.5° |
| C33 | C34 | O11 | 120.4° | 120.0° |
| C33 | C34 | O12 | 119.4° | 120.0° |
| C34 | C33 | H21 | 108.9° | 109.5° |
| C34 | C33 | H22 | 108.9° | 109.5° |
| O14 | C37 | O13 | 121.2° | 120.0° |
| O11 | C34 | O12 | 120.2° | 120.0° |
| C34 | O12 | H49 | 109.5° | 117.0° |
| C37 | O13 | H50 | 109.5° | 116.9° |
| C22 | C23 | N1 | 128.1° | 125.9° |
| C22 | C23 | C24 | 122.1° | 125.9° |
| C23 | C22 | H17 | 108.3° | 109.5° |
| C23 | C22 | H18 | 108.3° | 109.4° |
| C23 | N1 | C28 | 109.5° | 108.7° |
| N1 | C23 | C24 | 109.8° | 108.2° |
| C23 | N1 | H44 | 125.2° | 125.6° |
| N1 | C28 | C41 | 125.9° | 125.8° |
| N1 | C28 | C27 | 108.4° | 108.2° |
| C28 | N1 | H44 | 125.3° | 125.7° |
| C23 | C24 | C25 | 125.5° | 126.3° |
| C23 | C24 | C27 | 105.8° | 107.4° |
| C41 | C28 | C27 | 125.7° | 125.9° |
| C28 | C41 | C42 | 108.5° | 109.5° |
| C28 | C41 | H33 | 109.7° | 109.5° |
| C28 | C41 | H34 | 109.7° | 109.5° |
| C28 | C27 | C24 | 106.5° | 107.4° |
| C28 | C27 | C29 | 126.6° | 126.3° |
| C25 | C24 | C27 | 128.7° | 126.3° |
| C24 | C25 | C26 | 115.6° | 109.5° |
| C24 | C25 | H15 | 107.9° | 109.4° |
| C24 | C25 | H16 | 107.9° | 109.5° |
| C24 | C27 | C29 | 126.9° | 126.3° |
| C41 | C42 | N5 | 126.2° | 125.9° |
| C41 | C42 | C43 | 126.1° | 125.8° |
| C42 | C41 | H33 | 109.7° | 109.5° |
| C42 | C41 | H34 | 109.7° | 109.4° |
| C25 | C26 | O8 | 118.1° | 120.0° |
| C25 | C26 | O7 | 121.9° | 120.0° |
| C26 | C25 | H15 | 107.9° | 109.5° |
| C26 | C25 | H16 | 107.9° | 109.5° |
| C42 | N5 | C45 | 111.3° | 108.7° |
| N5 | C42 | C43 | 107.7° | 108.2° |
| C42 | N5 | H47 | 124.4° | 125.6° |
| N5 | C45 | C44 | 108.1° | 108.2° |
| N5 | C45 | H35 | 126.0° | 126.0° |
| C45 | N5 | H47 | 124.4° | 125.6° |
| C27 | C29 | C30 | 110.3° | 109.5° |
| C27 | C29 | H19 | 109.3° | 109.4° |
| C27 | C29 | H20 | 109.2° | 109.5° |
| C42 | C43 | C44 | 107.2° | 107.4° |
| C42 | C43 | C46 | 124.8° | 126.3° |
| C29 | C30 | C31 | 116.3° | 109.5° |
| C29 | C30 | H8 | 107.7° | 109.4° |
| C29 | C30 | H9 | 107.7° | 109.5° |
| C30 | C29 | H19 | 109.3° | 109.5° |
| C30 | C29 | H20 | 109.3° | 109.5° |
| C30 | C31 | O10 | 118.0° | 120.0° |
| C30 | C31 | O9 | 122.1° | 120.0° |
| C31 | C30 | H8 | 107.7° | 109.5° |
| C31 | C30 | H9 | 107.7° | 109.5° |
| C45 | C44 | C43 | 105.8° | 107.4° |
| C45 | C44 | C48 | 126.6° | 126.3° |
| C44 | C45 | H35 | 125.9° | 125.8° |
| O8 | C26 | O7 | 119.9° | 120.0° |
| C26 | O7 | H56 | 109.5° | 117.0° |
| O10 | C31 | O9 | 119.9° | 120.0° |
| C31 | O9 | H57 | 109.5° | 117.0° |
| C44 | C43 | C46 | 128.0° | 126.3° |
| C43 | C44 | C48 | 127.6° | 126.2° |
| C43 | C46 | C47 | 116.7° | 109.4° |
| C43 | C46 | H36 | 107.6° | 109.5° |
| C43 | C46 | H37 | 107.6° | 109.5° |
| C44 | C48 | C50 | 112.0° | 109.5° |
| C44 | C48 | H38 | 108.8° | 109.4° |
| C44 | C48 | H39 | 108.9° | 109.5° |
| O17 | C49 | O18 | 119.6° | 120.0° |
| O17 | C49 | C50 | 121.7° | 120.0° |
| C46 | C47 | O20 | 121.3° | 120.0° |
| C46 | C47 | O19 | 118.6° | 120.0° |
| C47 | C46 | H36 | 107.6° | 109.5° |
| C47 | C46 | H37 | 107.6° | 109.4° |
| O18 | C49 | C50 | 118.7° | 120.0° |
| C49 | O18 | H52 | 109.5° | 117.0° |
| C49 | C50 | C48 | 115.2° | 109.5° |
| C49 | C50 | H40 | 108.0° | 109.4° |
| C49 | C50 | H41 | 108.0° | 109.5° |
| C50 | C48 | H38 | 108.8° | 109.4° |
| C50 | C48 | H39 | 108.8° | 109.5° |
| C48 | C50 | H40 | 108.0° | 109.4° |
| C48 | C50 | H41 | 108.0° | 109.5° |
| O20 | C47 | O19 | 120.1° | 120.1° |
| C47 | O19 | H53 | 109.5° | 116.9° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H8 | C30 | H9 | 109.5° | 109.5° |
| H10 | C32 | H11 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.5° |
| H15 | C25 | H16 | 109.5° | 109.5° |
| H17 | C22 | H18 | 109.5° | 109.5° |
| H19 | C29 | H20 | 109.5° | 109.5° |
| H21 | C33 | H22 | 109.5° | 109.5° |
| H23 | C35 | H24 | 109.5° | 109.5° |
| H25 | C36 | H26 | 109.5° | 109.4° |
| H27 | C38 | H28 | 109.5° | 109.5° |
| H29 | C39 | H30 | 109.5° | 109.5° |
| H31 | C4 | H32 | 109.5° | 109.5° |
| H33 | C41 | H34 | 109.5° | 109.5° |
| H36 | C46 | H37 | 109.5° | 109.5° |
| H38 | C48 | H39 | 109.4° | 109.4° |
| H40 | C50 | H41 | 109.5° | 109.4° |
| H42 | C8 | H43 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C40 | O16 | C39 | 178.6° | 180.0° |
| O15 | C40 | C39 | C38 | 52.6° | 0.0° |
| O15 | C40 | C39 | H29 | 172.2° | 120.0° |
| O15 | C40 | C39 | H30 | 67.0° | 120.0° |
| O15 | C40 | O16 | H51 | 0.0° | 0.0° |
| O16 | C40 | C39 | C38 | 126.0° | 180.0° |
| O16 | C40 | C39 | H29 | 6.4° | 60.0° |
| O16 | C40 | C39 | H30 | 114.3° | 60.0° |
| C40 | C39 | C38 | H29 | 119.6° | 120.0° |
| C40 | C39 | C38 | H30 | 119.6° | 120.0° |
| C40 | C39 | C38 | C6 | 151.1° | 180.0° |
| C40 | C39 | C38 | H27 | 29.9° | 60.0° |
| C40 | C39 | C38 | H28 | 87.6° | 60.0° |
| C40 | C39 | H29 | H30 | 121.2° | 120.1° |
| C39 | C40 | O16 | H51 | 178.7° | 180.0° |
| C39 | C38 | C6 | H27 | 121.3° | 120.0° |
| C39 | C38 | C6 | H28 | 121.2° | 120.0° |
| C39 | C38 | C6 | C3 | 174.1° | 90.0° |
| C39 | C38 | C6 | C7 | 6.0° | 90.3° |
| C39 | C38 | H27 | H28 | 116.1° | 120.0° |
| C38 | C39 | H29 | H30 | 121.2° | 119.9° |
| C38 | C6 | C3 | C4 | 0.0° | 0.0° |
| C38 | C6 | C3 | C7 | 179.9° | 179.8° |
| C38 | C6 | C3 | C2 | 179.9° | 180.0° |
| C38 | C6 | C7 | C8 | 0.7° | 0.0° |
| C38 | C6 | C7 | N4 | 179.9° | 179.9° |
| C6 | C38 | H27 | H28 | 116.1° | 120.1° |
| C6 | C38 | C39 | H29 | 89.3° | 60.0° |
| C6 | C38 | C39 | H30 | 31.5° | 60.0° |
| C3 | C4 | C5 | H31 | 120.5° | 119.9° |
| C3 | C4 | C5 | H32 | 120.5° | 120.0° |
| C3 | C4 | C5 | O2 | 161.2° | 0.0° |
| C4 | C3 | C6 | C2 | 179.8° | 180.0° |
| C4 | C3 | C6 | C7 | 180.0° | 179.8° |
| C3 | C4 | C5 | O1 | 18.6° | 180.0° |
| C4 | C3 | C2 | N4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.3° |
| C3 | C4 | H31 | H32 | 118.6° | 120.0° |
| C4 | C5 | O2 | O1 | 179.8° | 180.0° |
| C5 | C4 | C3 | C6 | 70.5° | 90.0° |
| C5 | C4 | C3 | C2 | 109.3° | 90.0° |
| C5 | C4 | H31 | H32 | 118.6° | 120.1° |
| C4 | C5 | O1 | H48 | 179.8° | 179.9° |
| O2 | C5 | C4 | H31 | 78.4° | 120.0° |
| O2 | C5 | C4 | H32 | 40.7° | 120.0° |
| O2 | C5 | O1 | H48 | 0.0° | 0.1° |
| C3 | C6 | C7 | C8 | 179.3° | 179.8° |
| C3 | C6 | C7 | N4 | 0.2° | 0.4° |
| C6 | C3 | C2 | N4 | 0.1° | 0.0° |
| C6 | C3 | C2 | C1 | 180.0° | 179.7° |
| C3 | C6 | C38 | H27 | 64.7° | 30.0° |
| C3 | C6 | C38 | H28 | 52.9° | 150.0° |
| C6 | C3 | C4 | H31 | 169.1° | 30.0° |
| C6 | C3 | C4 | H32 | 50.0° | 149.9° |
| C7 | C6 | C3 | C2 | 0.2° | 0.2° |
| C6 | C7 | C8 | N4 | 178.9° | 179.8° |
| C6 | C7 | C8 | C9 | 163.9° | 85.0° |
| C6 | C7 | N4 | C2 | 0.2° | 0.4° |
| C6 | C7 | N4 | H12 | 179.8° | 179.5° |
| C7 | C6 | C38 | H27 | 115.3° | 149.7° |
| C7 | C6 | C38 | H28 | 127.2° | 29.7° |
| C6 | C7 | C8 | H42 | 43.0° | 35.0° |
| C6 | C7 | C8 | H43 | 75.2° | 155.0° |
| C3 | C2 | N4 | C7 | 0.0° | 0.2° |
| C3 | C2 | N4 | C1 | 179.9° | 179.7° |
| C3 | C2 | C1 | H1 | 90.0° | 89.7° |
| C3 | C2 | C1 | H2 | 149.9° | 30.3° |
| C3 | C2 | C1 | H3 | 29.9° | 150.3° |
| C3 | C2 | N4 | H12 | 180.0° | 179.7° |
| C2 | C3 | C4 | H31 | 11.1° | 150.0° |
| C2 | C3 | C4 | H32 | 130.2° | 30.1° |
| O1 | C5 | C4 | H31 | 101.9° | 60.0° |
| O1 | C5 | C4 | H32 | 139.1° | 60.0° |
| C7 | C8 | C9 | H42 | 120.9° | 120.0° |
| C7 | C8 | C9 | H43 | 120.9° | 120.0° |
| C8 | C7 | N4 | C2 | 179.3° | 179.7° |
| C7 | C8 | C9 | N3 | 63.0° | 95.0° |
| C7 | C8 | C9 | C10 | 119.2° | 84.8° |
| C8 | C7 | N4 | H12 | 0.7° | 0.3° |
| C7 | C8 | H42 | H43 | 117.2° | 120.0° |
| N4 | C7 | C8 | C9 | 15.0° | 94.8° |
| C7 | N4 | C2 | H12 | 180.0° | 179.9° |
| C7 | N4 | C2 | C1 | 179.9° | 180.0° |
| N4 | C7 | C8 | H42 | 136.0° | 145.2° |
| N4 | C7 | C8 | H43 | 105.9° | 25.2° |
| C8 | C9 | N3 | C10 | 178.2° | 179.8° |
| C8 | C9 | N3 | C14 | 178.6° | 179.8° |
| C8 | C9 | C10 | C11 | 2.4° | 0.2° |
| C8 | C9 | C10 | C13 | 179.3° | 179.8° |
| C9 | C8 | H42 | H43 | 117.2° | 120.0° |
| C8 | C9 | N3 | H46 | 1.4° | 0.2° |
| N4 | C2 | C1 | H1 | 90.1° | 90.0° |
| N4 | C2 | C1 | H2 | 30.0° | 150.0° |
| N4 | C2 | C1 | H3 | 150.0° | 30.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | C2 | N4 | H12 | 0.1° | 0.1° |
| O6 | C19 | O5 | C18 | 179.6° | 180.0° |
| O6 | C19 | C18 | C17 | 161.6° | 0.0° |
| O6 | C19 | C18 | H13 | 40.4° | 120.0° |
| O6 | C19 | C18 | H14 | 77.2° | 120.0° |
| O6 | C19 | O5 | H55 | 0.0° | 0.1° |
| O4 | C12 | O3 | C11 | 178.5° | 179.9° |
| O4 | C12 | C11 | C10 | 46.3° | 0.1° |
| O4 | C12 | C11 | H4 | 167.3° | 120.0° |
| O4 | C12 | C11 | H5 | 74.6° | 120.0° |
| O4 | C12 | O3 | H54 | 0.0° | 0.0° |
| C9 | N3 | C14 | H46 | 180.0° | 180.0° |
| C9 | N3 | C14 | C15 | 179.6° | 179.9° |
| C9 | N3 | C14 | C13 | 0.5° | 0.0° |
| N3 | C9 | C10 | C11 | 179.4° | 180.0° |
| N3 | C9 | C10 | C13 | 1.1° | 0.1° |
| N3 | C9 | C8 | H42 | 176.1° | 25.0° |
| N3 | C9 | C8 | H43 | 58.0° | 145.0° |
| C10 | C9 | N3 | C14 | 0.4° | 0.1° |
| C9 | C10 | C11 | C12 | 46.4° | 90.0° |
| C9 | C10 | C13 | C14 | 1.4° | 0.0° |
| C9 | C10 | C11 | C13 | 178.0° | 180.0° |
| C9 | C10 | C13 | C35 | 178.3° | 179.9° |
| C9 | C10 | C11 | H4 | 74.5° | 30.0° |
| C9 | C10 | C11 | H5 | 167.4° | 150.0° |
| C10 | C9 | C8 | H42 | 1.7° | 155.2° |
| C10 | C9 | C8 | H43 | 119.9° | 35.2° |
| C10 | C9 | N3 | H46 | 179.6° | 180.0° |
| N3 | C14 | C15 | C13 | 178.9° | 180.0° |
| N3 | C14 | C13 | C10 | 1.2° | 0.0° |
| N3 | C14 | C15 | C16 | 107.4° | 95.0° |
| N3 | C14 | C13 | C35 | 178.1° | 180.0° |
| N3 | C14 | C15 | H6 | 133.4° | 25.0° |
| N3 | C14 | C15 | H7 | 11.8° | 145.0° |
| O5 | C19 | C18 | C17 | 18.8° | 180.0° |
| O5 | C19 | C18 | H13 | 139.9° | 60.0° |
| O5 | C19 | C18 | H14 | 102.4° | 60.0° |
| C19 | C18 | C17 | H13 | 121.1° | 120.0° |
| C19 | C18 | C17 | H14 | 121.2° | 120.0° |
| C19 | C18 | C17 | C16 | 79.6° | 90.2° |
| C19 | C18 | C17 | C20 | 104.0° | 90.0° |
| C19 | C18 | H13 | H14 | 116.3° | 120.0° |
| C18 | C19 | O5 | H55 | 179.6° | 180.0° |
| O3 | C12 | C11 | C10 | 135.1° | 180.0° |
| O3 | C12 | C11 | H4 | 14.2° | 60.1° |
| O3 | C12 | C11 | H5 | 104.0° | 60.0° |
| C12 | C11 | C10 | H4 | 120.9° | 120.0° |
| C12 | C11 | C10 | H5 | 120.9° | 120.0° |
| C12 | C11 | C10 | C13 | 135.5° | 90.0° |
| C12 | C11 | H4 | H5 | 117.1° | 120.0° |
| C11 | C12 | O3 | H54 | 178.5° | 179.9° |
| C15 | C14 | C13 | C10 | 179.7° | 180.0° |
| C14 | C15 | C16 | H6 | 119.2° | 120.0° |
| C14 | C15 | C16 | H7 | 119.2° | 120.0° |
| C15 | C14 | C13 | C35 | 2.8° | 0.0° |
| C14 | C15 | C16 | C17 | 106.4° | 85.0° |
| C14 | C15 | C16 | N2 | 74.4° | 95.1° |
| C14 | C15 | H6 | H7 | 122.3° | 120.0° |
| C15 | C14 | N3 | H46 | 0.4° | 0.0° |
| C14 | C13 | C10 | C11 | 179.8° | 180.0° |
| C14 | C13 | C10 | C35 | 176.9° | 180.0° |
| C13 | C14 | C15 | C16 | 71.5° | 85.0° |
| C14 | C13 | C35 | C36 | 120.4° | 90.0° |
| C13 | C14 | C15 | H6 | 47.7° | 155.0° |
| C13 | C14 | C15 | H7 | 169.3° | 35.0° |
| C14 | C13 | C35 | H23 | 118.1° | 29.9° |
| C14 | C13 | C35 | H24 | 1.0° | 150.0° |
| C13 | C14 | N3 | H46 | 179.5° | 180.0° |
| C11 | C10 | C13 | C35 | 3.3° | 0.0° |
| C10 | C11 | H4 | H5 | 117.1° | 120.0° |
| C10 | C13 | C35 | C36 | 63.3° | 90.0° |
| C13 | C10 | C11 | H4 | 103.5° | 150.0° |
| C13 | C10 | C11 | H5 | 14.6° | 30.0° |
| C10 | C13 | C35 | H23 | 58.2° | 150.0° |
| C10 | C13 | C35 | H24 | 175.3° | 30.0° |
| C15 | C16 | C17 | C18 | 2.0° | 0.1° |
| C15 | C16 | C17 | N2 | 179.3° | 179.9° |
| C15 | C16 | C17 | C20 | 179.0° | 180.0° |
| C15 | C16 | N2 | C21 | 179.5° | 179.9° |
| C16 | C15 | H6 | H7 | 122.3° | 120.0° |
| C15 | C16 | N2 | H45 | 0.5° | 0.1° |
| C18 | C17 | C16 | C20 | 177.0° | 179.9° |
| C18 | C17 | C16 | N2 | 177.2° | 179.9° |
| C18 | C17 | C20 | C32 | 4.2° | 0.0° |
| C18 | C17 | C20 | C21 | 177.7° | 180.0° |
| C17 | C18 | H13 | H14 | 116.3° | 120.0° |
| C13 | C35 | C36 | H23 | 121.4° | 120.0° |
| C13 | C35 | C36 | H24 | 121.4° | 120.0° |
| C13 | C35 | C36 | C37 | 166.5° | 180.0° |
| C13 | C35 | H23 | H24 | 115.4° | 120.0° |
| C13 | C35 | C36 | H25 | 73.5° | 60.0° |
| C13 | C35 | C36 | H26 | 46.5° | 60.0° |
| C17 | C16 | N2 | C21 | 0.2° | 0.2° |
| C16 | C17 | C20 | C32 | 178.8° | 179.9° |
| C16 | C17 | C20 | C21 | 0.6° | 0.1° |
| C17 | C16 | C15 | H6 | 134.4° | 34.9° |
| C17 | C16 | C15 | H7 | 12.7° | 155.0° |
| C16 | C17 | C18 | H13 | 41.6° | 29.9° |
| C16 | C17 | C18 | H14 | 159.2° | 149.8° |
| C17 | C16 | N2 | H45 | 179.8° | 180.0° |
| N2 | C16 | C17 | C20 | 0.3° | 0.0° |
| C16 | N2 | C21 | H45 | 180.0° | 179.8° |
| C16 | N2 | C21 | C20 | 0.6° | 0.3° |
| C16 | N2 | C21 | C22 | 178.5° | 180.0° |
| N2 | C16 | C15 | H6 | 44.8° | 145.0° |
| N2 | C16 | C15 | H7 | 166.4° | 24.9° |
| C17 | C20 | C21 | N2 | 0.8° | 0.2° |
| C17 | C20 | C32 | C21 | 177.8° | 180.0° |
| C17 | C20 | C32 | C33 | 99.7° | 90.0° |
| C17 | C20 | C21 | C22 | 178.3° | 180.0° |
| C17 | C20 | C32 | H10 | 140.9° | 150.0° |
| C17 | C20 | C32 | H11 | 19.7° | 30.0° |
| C20 | C17 | C18 | H13 | 134.8° | 150.0° |
| C20 | C17 | C18 | H14 | 17.2° | 30.0° |
| C35 | C36 | C37 | H25 | 120.0° | 120.1° |
| C35 | C36 | C37 | H26 | 120.0° | 120.0° |
| C35 | C36 | C37 | O14 | 33.9° | 0.0° |
| C35 | C36 | C37 | O13 | 146.2° | 180.0° |
| C36 | C35 | H23 | H24 | 115.4° | 120.0° |
| C35 | C36 | H25 | H26 | 120.0° | 120.0° |
| N2 | C21 | C20 | C32 | 178.9° | 179.8° |
| N2 | C21 | C20 | C22 | 179.1° | 179.7° |
| N2 | C21 | C22 | C23 | 144.8° | 94.7° |
| N2 | C21 | C22 | H17 | 94.6° | 25.3° |
| N2 | C21 | C22 | H18 | 24.1° | 145.3° |
| C20 | C32 | C33 | H10 | 119.5° | 119.9° |
| C20 | C32 | C33 | H11 | 119.4° | 120.0° |
| C32 | C20 | C21 | C22 | 0.2° | 0.0° |
| C20 | C32 | C33 | C34 | 171.8° | 180.0° |
| C20 | C32 | H10 | H11 | 121.7° | 120.0° |
| C20 | C32 | C33 | H21 | 67.9° | 60.1° |
| C20 | C32 | C33 | H22 | 51.5° | 60.0° |
| C21 | C20 | C32 | C33 | 78.1° | 90.0° |
| C20 | C21 | C22 | C23 | 36.3° | 85.0° |
| C21 | C20 | C32 | H10 | 41.4° | 30.0° |
| C21 | C20 | C32 | H11 | 162.5° | 149.9° |
| C20 | C21 | C22 | H17 | 84.3° | 155.0° |
| C20 | C21 | C22 | H18 | 157.0° | 35.0° |
| C20 | C21 | N2 | H45 | 179.4° | 179.9° |
| C36 | C37 | O14 | O13 | 179.8° | 180.0° |
| C37 | C36 | C35 | H23 | 45.0° | 60.0° |
| C37 | C36 | C35 | H24 | 72.1° | 60.0° |
| C37 | C36 | H25 | H26 | 119.9° | 119.9° |
| C36 | C37 | O13 | H50 | 179.8° | 180.0° |
| C32 | C33 | C34 | H21 | 120.4° | 119.9° |
| C32 | C33 | C34 | H22 | 120.3° | 120.0° |
| C32 | C33 | C34 | O11 | 15.4° | 0.1° |
| C32 | C33 | C34 | O12 | 163.6° | 180.0° |
| C33 | C32 | H10 | H11 | 121.6° | 120.0° |
| C32 | C33 | H21 | H22 | 119.0° | 120.1° |
| C21 | C22 | C23 | H17 | 120.7° | 119.9° |
| C21 | C22 | C23 | H18 | 120.7° | 120.0° |
| C21 | C22 | C23 | N1 | 51.4° | 95.0° |
| C21 | C22 | C23 | C24 | 129.4° | 85.0° |
| C21 | C22 | H17 | H18 | 118.0° | 120.0° |
| C22 | C21 | N2 | H45 | 1.5° | 0.2° |
| C33 | C34 | O11 | O12 | 178.9° | 179.9° |
| C34 | C33 | C32 | H10 | 52.3° | 60.0° |
| C34 | C33 | C32 | H11 | 68.8° | 60.0° |
| C34 | C33 | H21 | H22 | 119.0° | 120.0° |
| C33 | C34 | O12 | H49 | 179.0° | 180.0° |
| O14 | C37 | C36 | H25 | 153.9° | 120.1° |
| O14 | C37 | C36 | H26 | 86.1° | 120.0° |
| O14 | C37 | O13 | H50 | 0.0° | 0.0° |
| O11 | C34 | C33 | H21 | 105.0° | 120.0° |
| O11 | C34 | C33 | H22 | 135.7° | 120.0° |
| O11 | C34 | O12 | H49 | 0.0° | 0.1° |
| O12 | C34 | C33 | H21 | 76.1° | 60.1° |
| O12 | C34 | C33 | H22 | 43.3° | 60.0° |
| O13 | C37 | C36 | H25 | 26.2° | 59.9° |
| O13 | C37 | C36 | H26 | 93.8° | 60.0° |
| C22 | C23 | N1 | C24 | 179.3° | 180.0° |
| C22 | C23 | N1 | C28 | 178.6° | 179.9° |
| C22 | C23 | C24 | C25 | 1.9° | 0.0° |
| C22 | C23 | C24 | C27 | 178.3° | 179.8° |
| C23 | C22 | H17 | H18 | 117.9° | 120.0° |
| C22 | C23 | N1 | H44 | 1.4° | 0.1° |
| C23 | N1 | C28 | H44 | 179.9° | 179.8° |
| C23 | N1 | C28 | C41 | 179.8° | 179.8° |
| C23 | N1 | C28 | C27 | 0.0° | 0.0° |
| N1 | C23 | C24 | C25 | 178.8° | 180.0° |
| N1 | C23 | C24 | C27 | 1.1° | 0.2° |
| N1 | C23 | C22 | H17 | 172.0° | 145.1° |
| N1 | C23 | C22 | H18 | 69.3° | 25.0° |
| C28 | N1 | C23 | C24 | 0.7° | 0.2° |
| N1 | C28 | C41 | C27 | 179.8° | 179.8° |
| N1 | C28 | C27 | C24 | 0.7° | 0.1° |
| N1 | C28 | C41 | C42 | 71.2° | 94.8° |
| N1 | C28 | C27 | C29 | 178.5° | 179.8° |
| N1 | C28 | C41 | H33 | 48.6° | 25.2° |
| N1 | C28 | C41 | H34 | 169.0° | 145.2° |
| C23 | C24 | C27 | C28 | 1.0° | 0.2° |
| C23 | C24 | C25 | C27 | 179.8° | 179.8° |
| C23 | C24 | C25 | C26 | 112.4° | 90.3° |
| C23 | C24 | C27 | C29 | 178.8° | 179.7° |
| C23 | C24 | C25 | H15 | 126.8° | 29.7° |
| C23 | C24 | C25 | H16 | 8.5° | 149.7° |
| C24 | C23 | C22 | H17 | 8.7° | 35.0° |
| C24 | C23 | C22 | H18 | 109.9° | 155.0° |
| C24 | C23 | N1 | H44 | 179.3° | 180.0° |
| C41 | C28 | C27 | C24 | 179.5° | 179.9° |
| C28 | C41 | C42 | H33 | 119.8° | 120.0° |
| C28 | C41 | C42 | H34 | 119.8° | 120.0° |
| C28 | C41 | C42 | N5 | 69.0° | 95.3° |
| C41 | C28 | C27 | C29 | 1.7° | 0.0° |
| C28 | C41 | C42 | C43 | 110.6° | 85.0° |
| C28 | C41 | H33 | H34 | 120.5° | 120.0° |
| C41 | C28 | N1 | H44 | 0.2° | 0.0° |
| C28 | C27 | C24 | C25 | 178.8° | 180.0° |
| C28 | C27 | C24 | C29 | 177.8° | 180.0° |
| C27 | C28 | C41 | C42 | 108.6° | 85.0° |
| C28 | C27 | C29 | C30 | 101.9° | 90.0° |
| C28 | C27 | C29 | H19 | 138.0° | 150.0° |
| C28 | C27 | C29 | H20 | 18.2° | 30.0° |
| C27 | C28 | C41 | H33 | 131.6° | 155.0° |
| C27 | C28 | C41 | H34 | 11.2° | 35.0° |
| C27 | C28 | N1 | H44 | 180.0° | 179.8° |
| C24 | C25 | C26 | H15 | 120.9° | 120.0° |
| C24 | C25 | C26 | H16 | 120.9° | 120.0° |
| C25 | C24 | C27 | C29 | 1.0° | 0.1° |
| C24 | C25 | C26 | O8 | 179.4° | 0.0° |
| C24 | C25 | C26 | O7 | 0.1° | 180.0° |
| C24 | C25 | H15 | H16 | 117.2° | 120.0° |
| C27 | C24 | C25 | C26 | 67.8° | 90.0° |
| C24 | C27 | C29 | C30 | 75.5° | 89.9° |
| C27 | C24 | C25 | H15 | 53.0° | 150.0° |
| C27 | C24 | C25 | H16 | 171.3° | 30.1° |
| C24 | C27 | C29 | H19 | 44.7° | 30.0° |
| C24 | C27 | C29 | H20 | 164.4° | 150.0° |
| C41 | C42 | N5 | C43 | 179.7° | 179.8° |
| C41 | C42 | N5 | C45 | 179.7° | 179.8° |
| C41 | C42 | C43 | C44 | 178.7° | 180.0° |
| C41 | C42 | C43 | C46 | 1.5° | 0.0° |
| C42 | C41 | H33 | H34 | 120.4° | 119.9° |
| C41 | C42 | N5 | H47 | 0.3° | 0.0° |
| C25 | C26 | O8 | O7 | 179.2° | 180.0° |
| C26 | C25 | H15 | H16 | 117.2° | 120.0° |
| C25 | C26 | O7 | H56 | 179.2° | 180.0° |
| C42 | N5 | C45 | H47 | 180.0° | 179.8° |
| C42 | N5 | C45 | C44 | 0.7° | 0.4° |
| N5 | C42 | C43 | C44 | 1.7° | 0.3° |
| N5 | C42 | C43 | C46 | 178.8° | 179.8° |
| N5 | C42 | C41 | H33 | 50.9° | 144.7° |
| N5 | C42 | C41 | H34 | 171.2° | 24.7° |
| C42 | N5 | C45 | H35 | 179.4° | 179.8° |
| C45 | N5 | C42 | C43 | 0.7° | 0.4° |
| N5 | C45 | C44 | H35 | 180.0° | 179.7° |
| N5 | C45 | C44 | C43 | 1.7° | 0.3° |
| N5 | C45 | C44 | C48 | 178.7° | 179.7° |
| C27 | C29 | C30 | H19 | 120.2° | 120.0° |
| C27 | C29 | C30 | H20 | 120.1° | 120.0° |
| C27 | C29 | C30 | C31 | 179.8° | 180.0° |
| C27 | C29 | C30 | H8 | 58.8° | 60.0° |
| C27 | C29 | C30 | H9 | 59.2° | 60.0° |
| C27 | C29 | H19 | H20 | 119.6° | 120.0° |
| C42 | C43 | C44 | C45 | 2.0° | 0.0° |
| C42 | C43 | C44 | C46 | 177.0° | 180.0° |
| C42 | C43 | C44 | C48 | 179.0° | 180.0° |
| C42 | C43 | C46 | C47 | 117.9° | 90.0° |
| C43 | C42 | C41 | H33 | 129.5° | 35.0° |
| C43 | C42 | C41 | H34 | 9.2° | 155.0° |
| C42 | C43 | C46 | H36 | 121.0° | 150.0° |
| C42 | C43 | C46 | H37 | 3.1° | 30.0° |
| C43 | C42 | N5 | H47 | 179.4° | 179.8° |
| C29 | C30 | C31 | H8 | 121.0° | 119.9° |
| C29 | C30 | C31 | H9 | 121.0° | 120.0° |
| C29 | C30 | C31 | O10 | 169.8° | 0.0° |
| C29 | C30 | C31 | O9 | 10.5° | 179.9° |
| C29 | C30 | H8 | H9 | 116.9° | 120.0° |
| C30 | C29 | H19 | H20 | 119.6° | 120.0° |
| C30 | C31 | O10 | O9 | 179.7° | 179.9° |
| C31 | C30 | H8 | H9 | 116.9° | 120.0° |
| C31 | C30 | C29 | H19 | 60.0° | 60.0° |
| C31 | C30 | C29 | H20 | 59.7° | 60.0° |
| C30 | C31 | O9 | H57 | 179.7° | 180.0° |
| C45 | C44 | C43 | C48 | 177.0° | 180.0° |
| C45 | C44 | C43 | C46 | 179.0° | 180.0° |
| C45 | C44 | C48 | C50 | 65.8° | 94.9° |
| C45 | C44 | C48 | H38 | 54.6° | 25.0° |
| C45 | C44 | C48 | H39 | 173.8° | 145.0° |
| C44 | C45 | N5 | H47 | 179.3° | 179.8° |
| O8 | C26 | C25 | H15 | 59.7° | 120.0° |
| O8 | C26 | C25 | H16 | 58.5° | 120.0° |
| O8 | C26 | O7 | H56 | 0.0° | 0.0° |
| O7 | C26 | C25 | H15 | 121.0° | 60.0° |
| O7 | C26 | C25 | H16 | 120.7° | 60.0° |
| O10 | C31 | C30 | H8 | 69.2° | 119.9° |
| O10 | C31 | C30 | H9 | 48.8° | 120.0° |
| O10 | C31 | O9 | H57 | 0.0° | 0.1° |
| O9 | C31 | C30 | H8 | 110.5° | 60.0° |
| O9 | C31 | C30 | H9 | 131.5° | 60.1° |
| C44 | C43 | C46 | C47 | 65.6° | 90.1° |
| C43 | C44 | C48 | C50 | 110.6° | 85.0° |
| C43 | C44 | C45 | H35 | 178.4° | 180.0° |
| C44 | C43 | C46 | H36 | 55.5° | 29.9° |
| C44 | C43 | C46 | H37 | 173.4° | 150.0° |
| C43 | C44 | C48 | H38 | 129.0° | 155.0° |
| C43 | C44 | C48 | H39 | 9.8° | 35.1° |
| C46 | C43 | C44 | C48 | 4.0° | 0.1° |
| C43 | C46 | C47 | H36 | 121.1° | 120.0° |
| C43 | C46 | C47 | H37 | 121.0° | 120.0° |
| C43 | C46 | C47 | O20 | 43.3° | 0.0° |
| C43 | C46 | C47 | O19 | 138.0° | 180.0° |
| C43 | C46 | H36 | H37 | 116.7° | 120.1° |
| C44 | C48 | C50 | C49 | 65.1° | 180.0° |
| C44 | C48 | C50 | H38 | 120.4° | 120.0° |
| C44 | C48 | C50 | H39 | 120.4° | 120.1° |
| C48 | C44 | C45 | H35 | 1.3° | 0.0° |
| C44 | C48 | H38 | H39 | 118.9° | 120.0° |
| C44 | C48 | C50 | H40 | 55.7° | 60.0° |
| C44 | C48 | C50 | H41 | 174.0° | 59.9° |
| O17 | C49 | O18 | C50 | 179.7° | 180.0° |
| O17 | C49 | C50 | C48 | 44.6° | 0.1° |
| O17 | C49 | C50 | H40 | 165.4° | 120.0° |
| O17 | C49 | C50 | H41 | 76.3° | 120.0° |
| O17 | C49 | O18 | H52 | 0.0° | 0.0° |
| C46 | C47 | O20 | O19 | 178.7° | 180.0° |
| C47 | C46 | H36 | H37 | 116.7° | 120.0° |
| C46 | C47 | O19 | H53 | 178.7° | 180.0° |
| O18 | C49 | C50 | C48 | 135.7° | 179.9° |
| O18 | C49 | C50 | H40 | 14.9° | 60.0° |
| O18 | C49 | C50 | H41 | 103.4° | 60.0° |
| C49 | C50 | C48 | H40 | 120.8° | 120.0° |
| C49 | C50 | C48 | H41 | 120.8° | 120.1° |
| C49 | C50 | C48 | H38 | 55.3° | 60.0° |
| C49 | C50 | C48 | H39 | 174.5° | 59.9° |
| C49 | C50 | H40 | H41 | 117.4° | 120.0° |
| C50 | C49 | O18 | H52 | 179.7° | 179.9° |
| C50 | C48 | H38 | H39 | 118.8° | 120.0° |
| C48 | C50 | H40 | H41 | 117.4° | 120.0° |
| O20 | C47 | C46 | H36 | 164.4° | 120.0° |
| O20 | C47 | C46 | H37 | 77.7° | 120.0° |
| O20 | C47 | O19 | H53 | 0.0° | 0.1° |
| O19 | C47 | C46 | H36 | 16.9° | 60.0° |
| O19 | C47 | C46 | H37 | 101.0° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H8 | C30 | C29 | H19 | 179.0° | 180.0° |
| H8 | C30 | C29 | H20 | 61.3° | 60.0° |
| H9 | C30 | C29 | H19 | 61.0° | 60.0° |
| H9 | C30 | C29 | H20 | 179.3° | 180.0° |
| H10 | C32 | C33 | H21 | 172.7° | 180.0° |
| H10 | C32 | C33 | H22 | 68.0° | 59.9° |
| H11 | C32 | C33 | H21 | 51.6° | 60.0° |
| H11 | C32 | C33 | H22 | 170.9° | 180.0° |
| H23 | C35 | C36 | H25 | 165.0° | 180.0° |
| H23 | C35 | C36 | H26 | 75.0° | 60.0° |
| H24 | C35 | C36 | H25 | 47.9° | 60.0° |
| H24 | C35 | C36 | H26 | 167.9° | 180.0° |
| H27 | C38 | C39 | H29 | 149.5° | 60.0° |
| H27 | C38 | C39 | H30 | 89.7° | NaN° |
| H28 | C38 | C39 | H29 | 32.0° | NaN° |
| H28 | C38 | C39 | H30 | 152.8° | 60.0° |
| H35 | C45 | N5 | H47 | 0.7° | 0.0° |
| H38 | C48 | C50 | H40 | 176.1° | 180.0° |
| H38 | C48 | C50 | H41 | 65.6° | 60.1° |
| H39 | C48 | C50 | H40 | 64.7° | 60.1° |
| H39 | C48 | C50 | H41 | 53.6° | 180.0° |
