8IM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | O1 | sing | 1.43Å | 1.40Å | |
| C6 | O4 | sing | 1.43Å | 1.40Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C7 | O4 | sing | 1.43Å | 1.41Å | |
| C8 | N1 | sing | 1.46Å | 1.47Å | |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| O3 | C5 | sing | 1.43Å | 1.41Å | |
| O3 | C4 | sing | 1.43Å | 1.41Å | |
| C33 | C28 | sing | 1.39Å | 1.41Å | Aromatic |
| C34 | O7 | sing | 1.43Å | 1.42Å | |
| C34 | C35 | sing | 1.51Å | 1.56Å | |
| C24 | C25 | sing | 1.53Å | 1.56Å | |
| C24 | N9 | sing | 1.47Å | 1.50Å | |
| C25 | N10 | sing | 1.47Å | 1.49Å | |
| O7 | C31 | sing | 1.36Å | 1.38Å | |
| N1 | C35 | sing | 1.35Å | 1.39Å | |
| C31 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| O2 | C3 | sing | 1.43Å | 1.41Å | |
| O2 | C2 | sing | 1.43Å | 1.41Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C35 | O8 | doub | 1.21Å | 1.22Å | |
| C28 | N10 | sing | 1.40Å | 1.47Å | |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| N10 | C26 | sing | 1.47Å | 1.49Å | |
| C23 | N9 | sing | 1.47Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.56Å | |
| N9 | C27 | sing | 1.47Å | 1.51Å | |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.56Å | |
| C22 | N5 | sing | 1.46Å | 1.50Å | |
| N6 | N5 | sing | 1.40Å | 1.37Å | Aromatic |
| N6 | C19 | doub | 1.30Å | 1.35Å | Aromatic |
| N5 | C15 | sing | 1.36Å | 1.40Å | Aromatic |
| C19 | C16 | sing | 1.41Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
| C15 | N2 | sing | 1.34Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.46Å | 1.42Å | Aromatic |
| N2 | C18 | doub | 1.31Å | 1.36Å | Aromatic |
| C17 | N7 | doub | 1.32Å | 1.35Å | Aromatic |
| C17 | N3 | sing | 1.37Å | 1.43Å | Aromatic |
| C18 | N3 | sing | 1.36Å | 1.42Å | Aromatic |
| C18 | N4 | sing | 1.38Å | 1.37Å | |
| N7 | C20 | sing | 1.34Å | 1.41Å | Aromatic |
| N3 | N8 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | N8 | doub | 1.32Å | 1.36Å | Aromatic |
| C20 | C21 | sing | 1.48Å | 1.45Å | |
| C21 | C36 | doub | 1.36Å | 1.37Å | Aromatic |
| C21 | O9 | sing | 1.35Å | 1.37Å | Aromatic |
| C36 | C37 | sing | 1.41Å | 1.43Å | Aromatic |
| O9 | C38 | sing | 1.34Å | 1.37Å | Aromatic |
| C37 | C38 | doub | 1.35Å | 1.37Å | Aromatic |
| C29 | H1 | sing | 1.08Å | 1.08Å | |
| C30 | H2 | sing | 1.08Å | 1.08Å | |
| C32 | H3 | sing | 1.08Å | 1.08Å | |
| C34 | H4 | sing | 1.09Å | 1.10Å | |
| C34 | H5 | sing | 1.09Å | 1.10Å | |
| C36 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.08Å | 1.08Å | |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C38 | H28 | sing | 1.08Å | 1.08Å | |
| C4 | H29 | sing | 1.09Å | 1.10Å | |
| C4 | H30 | sing | 1.09Å | 1.10Å | |
| C5 | H31 | sing | 1.09Å | 1.10Å | |
| C5 | H32 | sing | 1.09Å | 1.10Å | |
| C6 | H33 | sing | 1.09Å | 1.10Å | |
| C6 | H34 | sing | 1.09Å | 1.10Å | |
| C7 | H35 | sing | 1.09Å | 1.10Å | |
| C7 | H36 | sing | 1.09Å | 1.10Å | |
| C8 | H37 | sing | 1.09Å | 1.10Å | |
| C8 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.09Å | 1.10Å | |
| C9 | H40 | sing | 1.09Å | 1.10Å | |
| N1 | H42 | sing | 0.97Å | 1.00Å | |
| N4 | H43 | sing | 0.97Å | 1.00Å | |
| N4 | H44 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 23.22Å | |
| C10 | N11 | sing | 1.35Å | 0.00Å | |
| N11 | C12 | sing | 1.47Å | 0.00Å | |
| C12 | C13 | sing | 1.53Å | 0.00Å | |
| C13 | C14 | sing | 1.53Å | 0.00Å | |
| C14 | C39 | sing | 1.53Å | 0.00Å | |
| C39 | C40 | sing | 1.53Å | 0.00Å | |
| C10 | O5 | doub | 1.21Å | 0.00Å | |
| C40 | C11 | sing | 1.51Å | 0.00Å | |
| C11 | C41 | sing | 1.39Å | 0.00Å | |
| C41 | N12 | sing | 1.37Å | 0.00Å | Aromatic |
| N12 | B1 | sing | 1.52Å | 0.00Å | |
| B1 | N13 | sing | 1.52Å | 0.00Å | |
| N13 | C45 | sing | 1.37Å | 0.00Å | |
| C45 | C11 | doub | 1.40Å | 0.00Å | |
| B1 | F2 | sing | 1.37Å | 0.00Å | |
| B1 | F1 | sing | 1.37Å | 0.00Å | |
| N12 | C42 | sing | 1.33Å | 0.00Å | Aromatic |
| C42 | C43 | doub | 1.38Å | 0.00Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 0.00Å | Aromatic |
| C44 | C41 | doub | 1.40Å | 0.00Å | Aromatic |
| N13 | C46 | doub | 1.33Å | 0.00Å | |
| C46 | C47 | sing | 1.38Å | 0.00Å | |
| C47 | C48 | doub | 1.38Å | 0.00Å | |
| C48 | C45 | sing | 1.40Å | 0.00Å | |
| N11 | H16 | sing | 0.97Å | 0.00Å | |
| C12 | H41 | sing | 1.09Å | 0.00Å | |
| C12 | H45 | sing | 1.09Å | 0.00Å | |
| C13 | H46 | sing | 1.09Å | 0.00Å | |
| C13 | H47 | sing | 1.09Å | 0.00Å | |
| C14 | H48 | sing | 1.09Å | 0.00Å | |
| C14 | H49 | sing | 1.09Å | 0.00Å | |
| C39 | H50 | sing | 1.09Å | 0.00Å | |
| C39 | H51 | sing | 1.09Å | 0.00Å | |
| C40 | H52 | sing | 1.09Å | 0.00Å | |
| C40 | H53 | sing | 1.09Å | 0.00Å | |
| C43 | H59 | sing | 1.08Å | 0.00Å | |
| C47 | H65 | sing | 1.08Å | 0.00Å | |
| C2 | H68 | sing | 1.09Å | 1.10Å | |
| C44 | C49 | sing | 1.51Å | 0.00Å | |
| C42 | C50 | sing | 1.51Å | 0.00Å | |
| C46 | C51 | sing | 1.51Å | 0.00Å | |
| C48 | C52 | sing | 1.51Å | 0.00Å | |
| C49 | H55 | sing | 1.09Å | 0.00Å | |
| C49 | H56 | sing | 1.09Å | 0.00Å | |
| C49 | H57 | sing | 1.09Å | 0.00Å | |
| C50 | H58 | sing | 1.09Å | 0.00Å | |
| C50 | H60 | sing | 1.09Å | 0.00Å | |
| C50 | H61 | sing | 1.09Å | 0.00Å | |
| C51 | H62 | sing | 1.09Å | 0.00Å | |
| C51 | H63 | sing | 1.09Å | 0.00Å | |
| C51 | H64 | sing | 1.09Å | 0.00Å | |
| C52 | H66 | sing | 1.09Å | 0.00Å | |
| C52 | H67 | sing | 1.09Å | 0.00Å | |
| C52 | H69 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | O1 | C1 | 113.3° | 114.0° |
| O1 | C9 | H39 | 104.3° | 109.5° |
| O1 | C9 | H40 | 104.3° | 109.5° |
| O1 | C9 | C10 | 129.4° | 109.5° |
| O4 | C6 | C5 | 113.3° | 109.5° |
| C6 | O4 | C7 | 114.5° | 114.0° |
| O4 | C6 | H33 | 108.5° | 109.4° |
| O4 | C6 | H34 | 108.5° | 109.5° |
| C6 | C5 | O3 | 110.4° | 109.5° |
| C6 | C5 | H31 | 109.2° | 109.5° |
| C6 | C5 | H32 | 109.2° | 109.4° |
| C5 | C6 | H33 | 108.5° | 109.5° |
| C5 | C6 | H34 | 108.5° | 109.5° |
| C8 | C7 | O4 | 108.4° | 109.5° |
| C7 | C8 | N1 | 110.2° | 109.5° |
| C8 | C7 | H35 | 109.7° | 109.4° |
| C8 | C7 | H36 | 109.7° | 109.5° |
| C7 | C8 | H37 | 109.3° | 109.5° |
| C7 | C8 | H38 | 109.3° | 109.5° |
| O4 | C7 | H35 | 109.7° | 109.5° |
| O4 | C7 | H36 | 109.7° | 109.5° |
| C8 | N1 | C35 | 125.3° | 120.0° |
| N1 | C8 | H37 | 109.3° | 109.4° |
| N1 | C8 | H38 | 109.3° | 109.5° |
| C8 | N1 | H42 | 117.3° | 120.0° |
| O1 | C1 | C2 | 106.1° | 109.4° |
| O1 | C1 | H14 | 110.3° | 109.5° |
| O1 | C1 | H15 | 110.3° | 109.5° |
| C33 | C32 | C31 | 120.6° | 120.0° |
| C32 | C33 | C28 | 122.2° | 120.0° |
| C33 | C32 | H3 | 119.7° | 120.0° |
| C32 | C33 | H26 | 118.9° | 120.0° |
| C32 | C31 | O7 | 120.4° | 120.0° |
| C32 | C31 | C30 | 118.2° | 120.1° |
| C31 | C32 | H3 | 119.7° | 120.0° |
| C1 | C2 | O2 | 105.6° | 109.5° |
| C2 | C1 | H14 | 110.3° | 109.5° |
| C2 | C1 | H15 | 110.3° | 109.4° |
| C1 | C2 | H17 | 110.4° | 109.4° |
| C1 | C2 | H68 | 110.4° | 109.5° |
| C5 | O3 | C4 | 114.3° | 114.0° |
| O3 | C5 | H31 | 109.2° | 109.5° |
| O3 | C5 | H32 | 109.2° | 109.5° |
| O3 | C4 | C3 | 108.0° | 109.4° |
| O3 | C4 | H29 | 109.8° | 109.4° |
| O3 | C4 | H30 | 109.8° | 109.5° |
| C33 | C28 | N10 | 115.9° | 120.0° |
| C33 | C28 | C29 | 116.4° | 120.0° |
| C28 | C33 | H26 | 118.9° | 120.0° |
| O7 | C34 | C35 | 112.8° | 109.5° |
| C34 | O7 | C31 | 117.6° | 117.0° |
| O7 | C34 | H4 | 108.6° | 109.5° |
| O7 | C34 | H5 | 108.6° | 109.5° |
| C34 | C35 | N1 | 118.6° | 120.0° |
| C34 | C35 | O8 | 120.6° | 120.0° |
| C35 | C34 | H4 | 108.6° | 109.5° |
| C35 | C34 | H5 | 108.6° | 109.5° |
| C25 | C24 | N9 | 112.6° | 109.3° |
| C24 | C25 | N10 | 110.8° | 109.3° |
| C24 | C25 | H12 | 109.1° | 109.5° |
| C24 | C25 | H13 | 109.2° | 109.5° |
| C25 | C24 | H18 | 108.7° | 109.5° |
| C25 | C24 | H19 | 108.7° | 109.5° |
| C24 | N9 | C23 | 110.7° | 111.0° |
| C24 | N9 | C27 | 107.6° | 110.9° |
| N9 | C24 | H18 | 108.7° | 109.5° |
| N9 | C24 | H19 | 108.7° | 109.5° |
| C25 | N10 | C28 | 114.3° | 111.0° |
| C25 | N10 | C26 | 106.9° | 110.9° |
| N10 | C25 | H12 | 109.1° | 109.5° |
| N10 | C25 | H13 | 109.1° | 109.6° |
| O7 | C31 | C30 | 121.3° | 120.0° |
| N1 | C35 | O8 | 120.8° | 120.0° |
| C35 | N1 | H42 | 117.3° | 120.0° |
| C31 | C30 | C29 | 120.6° | 120.0° |
| C31 | C30 | H2 | 119.7° | 120.0° |
| C3 | O2 | C2 | 115.8° | 114.0° |
| O2 | C3 | C4 | 107.6° | 109.5° |
| O2 | C3 | H24 | 109.9° | 109.5° |
| O2 | C3 | H25 | 109.9° | 109.5° |
| O2 | C2 | H17 | 110.4° | 109.5° |
| O2 | C2 | H68 | 110.4° | 109.5° |
| C4 | C3 | H24 | 110.0° | 109.4° |
| C4 | C3 | H25 | 110.0° | 109.5° |
| C3 | C4 | H29 | 109.9° | 109.5° |
| C3 | C4 | H30 | 109.8° | 109.5° |
| N10 | C28 | C29 | 127.7° | 120.0° |
| C28 | N10 | C26 | 116.3° | 111.0° |
| C28 | C29 | C30 | 121.9° | 120.0° |
| C28 | C29 | H1 | 119.1° | 120.0° |
| N10 | C26 | C27 | 110.8° | 109.3° |
| N10 | C26 | H20 | 109.1° | 109.4° |
| N10 | C26 | H21 | 109.1° | 109.5° |
| N9 | C23 | C22 | 111.1° | 109.5° |
| C23 | N9 | C27 | 112.0° | 111.0° |
| N9 | C23 | H9 | 109.1° | 109.5° |
| N9 | C23 | H10 | 109.0° | 109.4° |
| C23 | C22 | N5 | 113.8° | 109.4° |
| C23 | C22 | H7 | 108.4° | 109.5° |
| C23 | C22 | H8 | 108.4° | 109.5° |
| C22 | C23 | H9 | 109.1° | 109.5° |
| C22 | C23 | H10 | 109.1° | 109.5° |
| N9 | C27 | C26 | 112.7° | 109.4° |
| N9 | C27 | H22 | 108.7° | 109.5° |
| N9 | C27 | H23 | 108.6° | 109.5° |
| C30 | C29 | H1 | 119.1° | 119.9° |
| C29 | C30 | H2 | 119.7° | 120.0° |
| C27 | C26 | H20 | 109.1° | 109.5° |
| C27 | C26 | H21 | 109.2° | 109.5° |
| C26 | C27 | H22 | 108.6° | 109.5° |
| C26 | C27 | H23 | 108.6° | 109.5° |
| C22 | N5 | N6 | 121.1° | 125.9° |
| C22 | N5 | C15 | 129.2° | 125.8° |
| N5 | C22 | H7 | 108.4° | 109.5° |
| N5 | C22 | H8 | 108.4° | 109.4° |
| N5 | N6 | C19 | 107.7° | 109.5° |
| N6 | N5 | C15 | 109.7° | 108.2° |
| N6 | C19 | C16 | 110.5° | 108.4° |
| N6 | C19 | H11 | 124.7° | 125.8° |
| N5 | C15 | C16 | 106.7° | 106.5° |
| N5 | C15 | N2 | 128.2° | 133.9° |
| C19 | C16 | C15 | 105.5° | 107.3° |
| C19 | C16 | C17 | 134.8° | 134.7° |
| C16 | C19 | H11 | 124.8° | 125.8° |
| C16 | C15 | N2 | 125.1° | 119.6° |
| C15 | C16 | C17 | 119.7° | 118.0° |
| C15 | N2 | C18 | 115.0° | 122.3° |
| C16 | C17 | N7 | 136.3° | 134.4° |
| C16 | C17 | N3 | 115.0° | 117.7° |
| N2 | C18 | N3 | 123.2° | 122.5° |
| N2 | C18 | N4 | 118.9° | 118.7° |
| N7 | C17 | N3 | 108.7° | 107.9° |
| C17 | N7 | C20 | 104.0° | 109.6° |
| C17 | N3 | C18 | 121.9° | 119.9° |
| C17 | N3 | N8 | 110.1° | 106.2° |
| N3 | C18 | N4 | 117.8° | 118.7° |
| C18 | N3 | N8 | 128.0° | 133.8° |
| C18 | N4 | H43 | 109.5° | 120.0° |
| C18 | N4 | H44 | 109.4° | 120.0° |
| N7 | C20 | N8 | 114.7° | 109.3° |
| N7 | C20 | C21 | 121.7° | 125.3° |
| N3 | N8 | C20 | 102.5° | 107.0° |
| N8 | C20 | C21 | 123.6° | 125.4° |
| C20 | C21 | C36 | 130.2° | 125.9° |
| C20 | C21 | O9 | 118.9° | 126.0° |
| C36 | C21 | O9 | 110.9° | 108.1° |
| C21 | C36 | C37 | 106.2° | 106.8° |
| C21 | C36 | H6 | 126.9° | 126.6° |
| C21 | O9 | C38 | 105.9° | 109.4° |
| C36 | C37 | C38 | 105.8° | 107.0° |
| C37 | C36 | H6 | 126.9° | 126.6° |
| C36 | C37 | H27 | 127.1° | 126.5° |
| O9 | C38 | C37 | 111.2° | 108.7° |
| O9 | C38 | H28 | 124.4° | 125.7° |
| C38 | C37 | H27 | 127.1° | 126.5° |
| C37 | C38 | H28 | 124.4° | 125.7° |
| H4 | C34 | H5 | 109.5° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H9 | C23 | H10 | 109.5° | 109.5° |
| H12 | C25 | H13 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H17 | C2 | H68 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.6° |
| H20 | C26 | H21 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| H24 | C3 | H25 | 109.4° | 109.5° |
| H29 | C4 | H30 | 109.5° | 109.5° |
| H31 | C5 | H32 | 109.5° | 109.5° |
| H33 | C6 | H34 | 109.4° | 109.5° |
| H35 | C7 | H36 | 109.5° | 109.5° |
| H37 | C8 | H38 | 109.5° | 109.4° |
| H39 | C9 | H40 | 109.5° | 109.5° |
| H39 | C9 | C10 | 104.3° | 109.4° |
| H40 | C9 | C10 | 104.3° | 109.4° |
| H43 | N4 | H44 | 109.5° | 120.0° |
| C9 | C10 | N11 | 90.0° | 120.0° |
| C9 | C10 | O5 | 90.0° | 120.0° |
| C10 | N11 | C12 | 90.0° | 120.0° |
| N11 | C10 | O5 | 90.0° | 120.0° |
| C10 | N11 | H16 | 90.0° | 120.0° |
| N11 | C12 | C13 | 90.0° | 109.4° |
| C12 | N11 | H16 | 90.0° | 120.0° |
| N11 | C12 | H41 | 90.0° | 109.5° |
| N11 | C12 | H45 | 90.0° | 109.4° |
| C12 | C13 | C14 | 90.0° | 109.4° |
| C13 | C12 | H41 | 90.0° | 109.5° |
| C13 | C12 | H45 | 90.0° | 109.5° |
| C12 | C13 | H46 | 90.0° | 109.5° |
| C12 | C13 | H47 | 90.0° | 109.5° |
| C13 | C14 | C39 | 90.0° | 109.5° |
| C14 | C13 | H46 | 90.0° | 109.5° |
| C14 | C13 | H47 | 90.0° | 109.4° |
| C13 | C14 | H48 | 90.0° | 109.5° |
| C13 | C14 | H49 | 90.0° | 109.5° |
| C14 | C39 | C40 | 90.0° | 109.5° |
| C39 | C14 | H48 | 90.0° | 109.4° |
| C39 | C14 | H49 | 90.0° | 109.4° |
| C14 | C39 | H50 | 90.0° | 109.5° |
| C14 | C39 | H51 | 90.0° | 109.4° |
| C39 | C40 | C11 | 90.0° | 109.5° |
| C40 | C39 | H50 | 90.0° | 109.5° |
| C40 | C39 | H51 | 90.0° | 109.5° |
| C39 | C40 | H52 | 90.0° | 109.5° |
| C39 | C40 | H53 | 90.0° | 109.5° |
| C40 | C11 | C41 | 90.0° | 118.4° |
| C40 | C11 | C45 | 90.0° | 118.3° |
| C11 | C40 | H52 | 90.0° | 109.5° |
| C11 | C40 | H53 | 90.0° | 109.4° |
| C11 | C41 | N12 | 90.0° | 121.2° |
| C41 | C11 | C45 | 90.0° | 123.3° |
| C11 | C41 | C44 | 90.0° | 131.5° |
| C41 | N12 | B1 | 90.0° | 118.6° |
| C41 | N12 | C42 | 90.0° | 109.5° |
| N12 | C41 | C44 | 90.0° | 107.4° |
| N12 | B1 | N13 | 90.0° | 117.3° |
| N12 | B1 | F2 | 90.0° | 107.9° |
| N12 | B1 | F1 | 90.0° | 107.9° |
| B1 | N12 | C42 | 90.0° | 132.0° |
| B1 | N13 | C45 | 90.0° | 118.5° |
| N13 | B1 | F2 | 90.0° | 107.9° |
| N13 | B1 | F1 | 90.0° | 107.9° |
| B1 | N13 | C46 | 90.0° | 132.0° |
| N13 | C45 | C11 | 90.0° | 121.2° |
| C45 | N13 | C46 | 90.0° | 109.5° |
| N13 | C45 | C48 | 90.0° | 107.3° |
| C11 | C45 | C48 | 90.0° | 131.5° |
| F2 | B1 | F1 | 90.0° | 107.6° |
| N12 | C42 | C43 | 90.0° | 109.1° |
| N12 | C42 | C50 | 90.0° | 125.4° |
| C42 | C43 | C44 | 90.0° | 107.4° |
| C42 | C43 | H59 | 90.0° | 126.2° |
| C43 | C42 | C50 | 90.0° | 125.5° |
| C43 | C44 | C41 | 90.0° | 106.6° |
| C44 | C43 | H59 | 90.0° | 126.3° |
| C43 | C44 | C49 | 90.0° | 126.7° |
| C41 | C44 | C49 | 90.0° | 126.7° |
| N13 | C46 | C47 | 90.0° | 109.1° |
| N13 | C46 | C51 | 90.0° | 125.4° |
| C46 | C47 | C48 | 90.0° | 107.4° |
| C46 | C47 | H65 | 90.0° | 126.2° |
| C47 | C46 | C51 | 90.0° | 125.5° |
| C47 | C48 | C45 | 90.0° | 106.7° |
| C48 | C47 | H65 | 90.0° | 126.3° |
| C47 | C48 | C52 | 90.0° | 126.7° |
| C45 | C48 | C52 | 90.0° | 126.7° |
| H41 | C12 | H45 | 90.0° | 109.5° |
| H46 | C13 | H47 | 90.0° | 109.5° |
| H48 | C14 | H49 | 90.0° | 109.5° |
| H50 | C39 | H51 | 90.0° | 109.4° |
| H52 | C40 | H53 | 90.0° | 109.4° |
| C44 | C49 | H55 | 90.0° | 109.4° |
| C44 | C49 | H56 | 90.0° | 109.4° |
| C44 | C49 | H57 | 90.0° | 109.5° |
| C42 | C50 | H58 | 90.0° | 109.5° |
| C42 | C50 | H60 | 90.0° | 109.5° |
| C42 | C50 | H61 | 90.0° | 109.5° |
| C46 | C51 | H62 | 90.0° | 109.5° |
| C46 | C51 | H63 | 90.0° | 109.4° |
| C46 | C51 | H64 | 90.0° | 109.5° |
| C48 | C52 | H66 | 90.0° | 109.5° |
| C48 | C52 | H67 | 90.0° | 109.5° |
| C48 | C52 | H69 | 90.0° | 109.5° |
| H55 | C49 | H56 | 90.0° | 109.5° |
| H55 | C49 | H57 | 90.0° | 109.5° |
| H56 | C49 | H57 | 90.0° | 109.4° |
| H58 | C50 | H60 | 90.0° | 109.5° |
| H58 | C50 | H61 | 90.0° | 109.5° |
| H60 | C50 | H61 | 90.0° | 109.5° |
| H62 | C51 | H63 | 90.0° | 109.5° |
| H62 | C51 | H64 | 90.0° | 109.5° |
| H63 | C51 | H64 | 90.0° | 109.4° |
| H66 | C52 | H67 | 90.0° | 109.5° |
| H66 | C52 | H69 | 90.0° | 109.4° |
| H67 | C52 | H69 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | O1 | C1 | C2 | 165.4° | 180.0° |
| C9 | O1 | C1 | H14 | 46.0° | 60.0° |
| C9 | O1 | C1 | H15 | 75.1° | 60.0° |
| O1 | C9 | H39 | H40 | 111.1° | 120.1° |
| O1 | C9 | H39 | C10 | 137.8° | 120.0° |
| O1 | C9 | H40 | C10 | 137.8° | 120.0° |
| O1 | C9 | C10 | N11 | 90.0° | 180.0° |
| O1 | C9 | C10 | O5 | 90.0° | 0.0° |
| O4 | C6 | C5 | H33 | 120.6° | 120.0° |
| O4 | C6 | C5 | H34 | 120.6° | 120.0° |
| C6 | O4 | C7 | C8 | 166.9° | 180.0° |
| O4 | C6 | C5 | O3 | 89.8° | 65.0° |
| O4 | C6 | C5 | H31 | 150.1° | 175.0° |
| O4 | C6 | C5 | H32 | 30.4° | 55.0° |
| O4 | C6 | H33 | H34 | 118.3° | 120.0° |
| C6 | O4 | C7 | H35 | 73.3° | 60.0° |
| C6 | O4 | C7 | H36 | 47.1° | 60.0° |
| C5 | C6 | O4 | C7 | 88.5° | 180.0° |
| C6 | C5 | O3 | H31 | 120.1° | 120.0° |
| C6 | C5 | O3 | H32 | 120.1° | 119.9° |
| C6 | C5 | O3 | C4 | 170.3° | 180.0° |
| C6 | C5 | H31 | H32 | 119.6° | 119.9° |
| C5 | C6 | H33 | H34 | 118.2° | 120.0° |
| C8 | C7 | O4 | H35 | 119.8° | 120.0° |
| C8 | C7 | O4 | H36 | 119.8° | 120.0° |
| C7 | C8 | N1 | H37 | 120.1° | 120.0° |
| C7 | C8 | N1 | H38 | 120.1° | 120.0° |
| C7 | C8 | N1 | C35 | 121.7° | 180.0° |
| C8 | C7 | H35 | H36 | 120.5° | 120.0° |
| C7 | C8 | H37 | H38 | 119.7° | 120.0° |
| C7 | C8 | N1 | H42 | 58.3° | 0.0° |
| O4 | C7 | C8 | N1 | 65.9° | 65.0° |
| C7 | O4 | C6 | H33 | 32.1° | 60.0° |
| C7 | O4 | C6 | H34 | 150.9° | 60.0° |
| O4 | C7 | H35 | H36 | 120.5° | 120.0° |
| O4 | C7 | C8 | H37 | 54.1° | 175.0° |
| O4 | C7 | C8 | H38 | 173.9° | 55.0° |
| C8 | N1 | C35 | C34 | 0.0° | 180.0° |
| C8 | N1 | C35 | H42 | 180.0° | 180.0° |
| C8 | N1 | C35 | O8 | 179.8° | 0.1° |
| N1 | C8 | C7 | H35 | 53.9° | 175.0° |
| N1 | C8 | C7 | H36 | 174.2° | 55.0° |
| N1 | C8 | H37 | H38 | 119.7° | 120.0° |
| O1 | C1 | C2 | H14 | 119.5° | 120.0° |
| O1 | C1 | C2 | H15 | 119.5° | 120.0° |
| O1 | C1 | C2 | O2 | 95.3° | 65.0° |
| O1 | C1 | H14 | H15 | 121.6° | 120.1° |
| O1 | C1 | C2 | H17 | 145.3° | 175.0° |
| C1 | O1 | C9 | H39 | 4.4° | 60.0° |
| C1 | O1 | C9 | H40 | 119.2° | 60.0° |
| C1 | O1 | C9 | C10 | 118.2° | 180.0° |
| O1 | C1 | C2 | H68 | 24.1° | 55.0° |
| C33 | C32 | C31 | H3 | 180.0° | 179.8° |
| C32 | C33 | C28 | H26 | 180.0° | 179.8° |
| C33 | C32 | C31 | O7 | 179.9° | 180.0° |
| C33 | C32 | C31 | C30 | 0.0° | 0.0° |
| C32 | C33 | C28 | N10 | 179.9° | 179.7° |
| C32 | C33 | C28 | C29 | 0.2° | 0.4° |
| C31 | C32 | C33 | C28 | 0.0° | 0.2° |
| C32 | C31 | O7 | C34 | 88.0° | 0.0° |
| C32 | C31 | O7 | C30 | 179.9° | 180.0° |
| C32 | C31 | C30 | C29 | 0.1° | 0.0° |
| C32 | C31 | C30 | H2 | 179.9° | 179.9° |
| C31 | C32 | C33 | H26 | 179.9° | 180.0° |
| C1 | C2 | O2 | C3 | 101.8° | 180.0° |
| C1 | C2 | O2 | H17 | 119.4° | 119.9° |
| C1 | C2 | O2 | H68 | 119.4° | 120.0° |
| C2 | C1 | H14 | H15 | 121.5° | 120.0° |
| C1 | C2 | H17 | H68 | 121.8° | 120.0° |
| C5 | O3 | C4 | C3 | 75.7° | 180.0° |
| C5 | O3 | C4 | H29 | 44.1° | 60.0° |
| C5 | O3 | C4 | H30 | 164.5° | 60.0° |
| O3 | C5 | H31 | H32 | 119.6° | 120.0° |
| O3 | C5 | C6 | H33 | 30.8° | 175.0° |
| O3 | C5 | C6 | H34 | 149.6° | 55.0° |
| O3 | C4 | C3 | O2 | 124.3° | 65.0° |
| O3 | C4 | C3 | H29 | 119.8° | 120.0° |
| O3 | C4 | C3 | H30 | 119.8° | 120.0° |
| O3 | C4 | C3 | H24 | 116.0° | 175.0° |
| O3 | C4 | C3 | H25 | 4.6° | 55.0° |
| O3 | C4 | H29 | H30 | 120.6° | 120.0° |
| C4 | O3 | C5 | H31 | 69.5° | 60.0° |
| C4 | O3 | C5 | H32 | 50.2° | 60.1° |
| C33 | C28 | N10 | C25 | 62.0° | 0.2° |
| C33 | C28 | N10 | C29 | 179.7° | 179.9° |
| C33 | C28 | N10 | C26 | 172.6° | 123.6° |
| C33 | C28 | C29 | C30 | 0.4° | 0.4° |
| C33 | C28 | C29 | H1 | 179.7° | 179.8° |
| C28 | C33 | C32 | H3 | 180.0° | 180.0° |
| O7 | C34 | C35 | H4 | 120.5° | 120.0° |
| O7 | C34 | C35 | H5 | 120.5° | 120.0° |
| O7 | C34 | C35 | N1 | 142.4° | 180.0° |
| C34 | O7 | C31 | C30 | 91.9° | 180.0° |
| O7 | C34 | C35 | O8 | 37.3° | 0.0° |
| O7 | C34 | H4 | H5 | 118.5° | 120.0° |
| C35 | C34 | O7 | C31 | 68.2° | 180.0° |
| C34 | C35 | N1 | O8 | 179.7° | 180.0° |
| C35 | C34 | H4 | H5 | 118.5° | 120.0° |
| C34 | C35 | N1 | H42 | 180.0° | 0.0° |
| C25 | C24 | N9 | H18 | 120.5° | 119.9° |
| C25 | C24 | N9 | H19 | 120.4° | 119.9° |
| C24 | C25 | N10 | H12 | 120.2° | 119.9° |
| C24 | C25 | N10 | H13 | 120.2° | 120.0° |
| C24 | C25 | N10 | C28 | 169.5° | 176.8° |
| C24 | C25 | N10 | C26 | 60.4° | 59.3° |
| C25 | C24 | N9 | C23 | 177.3° | 176.8° |
| C25 | C24 | N9 | C27 | 54.6° | 59.4° |
| C24 | C25 | H12 | H13 | 119.4° | 120.0° |
| C25 | C24 | H18 | H19 | 118.6° | 120.0° |
| N9 | C24 | C25 | N10 | 60.5° | 58.4° |
| C24 | N9 | C23 | C27 | 120.0° | 123.8° |
| C24 | N9 | C23 | C22 | 169.2° | 170.0° |
| C24 | N9 | C27 | C26 | 54.1° | 59.4° |
| C24 | N9 | C23 | H9 | 49.0° | 70.0° |
| C24 | N9 | C23 | H10 | 70.5° | 50.0° |
| N9 | C24 | C25 | H12 | 179.3° | 178.4° |
| N9 | C24 | C25 | H13 | 59.7° | 61.6° |
| N9 | C24 | H18 | H19 | 118.6° | 120.1° |
| C24 | N9 | C27 | H22 | 174.5° | 60.6° |
| C24 | N9 | C27 | H23 | 66.4° | 179.3° |
| C25 | N10 | C28 | C26 | 125.4° | 123.8° |
| C25 | N10 | C28 | C29 | 117.6° | 180.0° |
| C25 | N10 | C26 | C27 | 59.6° | 59.3° |
| N10 | C25 | H12 | H13 | 119.4° | 120.1° |
| N10 | C25 | C24 | H18 | 179.0° | 178.4° |
| N10 | C25 | C24 | H19 | 60.0° | 61.5° |
| C25 | N10 | C26 | H20 | 179.8° | 60.6° |
| C25 | N10 | C26 | H21 | 60.6° | 179.3° |
| O7 | C31 | C30 | C29 | 179.8° | 180.0° |
| O7 | C31 | C30 | H2 | 0.2° | 0.1° |
| O7 | C31 | C32 | H3 | 0.0° | 0.2° |
| C31 | O7 | C34 | H4 | 171.3° | 60.0° |
| C31 | O7 | C34 | H5 | 52.3° | 60.0° |
| N1 | C35 | C34 | H4 | 97.1° | 60.0° |
| N1 | C35 | C34 | H5 | 21.9° | 60.0° |
| C35 | N1 | C8 | H37 | 1.6° | 60.0° |
| C35 | N1 | C8 | H38 | 118.2° | 60.0° |
| C31 | C30 | C29 | C28 | 0.3° | 0.2° |
| C31 | C30 | C29 | H2 | 180.0° | 180.0° |
| C31 | C30 | C29 | H1 | 179.7° | 180.0° |
| C30 | C31 | C32 | H3 | 179.9° | 179.8° |
| O2 | C3 | C4 | H24 | 119.7° | 120.0° |
| O2 | C3 | C4 | H25 | 119.7° | 120.0° |
| C3 | O2 | C2 | H17 | 138.8° | 60.1° |
| O2 | C3 | H24 | H25 | 120.8° | 120.0° |
| O2 | C3 | C4 | H29 | 115.9° | 175.0° |
| O2 | C3 | C4 | H30 | 4.5° | 55.0° |
| C3 | O2 | C2 | H68 | 17.6° | 60.0° |
| C2 | O2 | C3 | C4 | 166.4° | 180.0° |
| O2 | C2 | C1 | H14 | 24.2° | 175.0° |
| O2 | C2 | C1 | H15 | 145.2° | 54.9° |
| O2 | C2 | H17 | H68 | 121.8° | 120.1° |
| C2 | O2 | C3 | H24 | 46.6° | 60.0° |
| C2 | O2 | C3 | H25 | 73.9° | 60.0° |
| C4 | C3 | H24 | H25 | 120.9° | 120.0° |
| C3 | C4 | H29 | H30 | 120.7° | 120.1° |
| O8 | C35 | C34 | H4 | 83.2° | 120.0° |
| O8 | C35 | C34 | H5 | 157.8° | 119.9° |
| O8 | C35 | N1 | H42 | 0.3° | 180.0° |
| N10 | C28 | C29 | C30 | 180.0° | 179.7° |
| C28 | N10 | C26 | C27 | 171.3° | 176.8° |
| N10 | C28 | C29 | H1 | 0.0° | 0.0° |
| C28 | N10 | C25 | H12 | 49.3° | 56.9° |
| C28 | N10 | C25 | H13 | 70.3° | 63.2° |
| C28 | N10 | C26 | H20 | 51.1° | 63.2° |
| C28 | N10 | C26 | H21 | 68.5° | 56.8° |
| N10 | C28 | C33 | H26 | 0.1° | 0.1° |
| C29 | C28 | N10 | C26 | 7.7° | 56.2° |
| C28 | C29 | C30 | H1 | 180.0° | 179.7° |
| C28 | C29 | C30 | H2 | 179.7° | 179.7° |
| C29 | C28 | C33 | H26 | 179.8° | 179.8° |
| N10 | C26 | C27 | N9 | 59.0° | 58.4° |
| N10 | C26 | C27 | H20 | 120.2° | 119.9° |
| N10 | C26 | C27 | H21 | 120.2° | 120.0° |
| C26 | N10 | C25 | H12 | 179.5° | 179.3° |
| C26 | N10 | C25 | H13 | 59.9° | 60.6° |
| N10 | C26 | H20 | H21 | 119.4° | 120.1° |
| N10 | C26 | C27 | H22 | 179.5° | 61.6° |
| N10 | C26 | C27 | H23 | 61.5° | 178.4° |
| N9 | C23 | C22 | H9 | 120.3° | 120.0° |
| N9 | C23 | C22 | H10 | 120.2° | 120.0° |
| C23 | N9 | C27 | C26 | 175.9° | 176.8° |
| N9 | C23 | C22 | N5 | 142.2° | 179.9° |
| N9 | C23 | C22 | H7 | 21.5° | 60.0° |
| N9 | C23 | C22 | H8 | 97.2° | 60.0° |
| N9 | C23 | H9 | H10 | 119.2° | 120.0° |
| C23 | N9 | C24 | H18 | 62.2° | 56.9° |
| C23 | N9 | C24 | H19 | 56.9° | 63.2° |
| C23 | N9 | C27 | H22 | 63.6° | 63.3° |
| C23 | N9 | C27 | H23 | 55.4° | 56.8° |
| C22 | C23 | N9 | C27 | 70.7° | 66.2° |
| C23 | C22 | N5 | H7 | 120.6° | 120.0° |
| C23 | C22 | N5 | H8 | 120.6° | 120.0° |
| C23 | C22 | N5 | N6 | 100.6° | 90.0° |
| C23 | C22 | N5 | C15 | 78.7° | 90.1° |
| C23 | C22 | H7 | H8 | 118.0° | 120.0° |
| C22 | C23 | H9 | H10 | 119.3° | 120.0° |
| N9 | C27 | C26 | H22 | 120.5° | 119.9° |
| N9 | C27 | C26 | H23 | 120.5° | 120.0° |
| C27 | N9 | C23 | H9 | 169.0° | 53.8° |
| C27 | N9 | C23 | H10 | 49.5° | 173.8° |
| C27 | N9 | C24 | H18 | 175.1° | 179.3° |
| C27 | N9 | C24 | H19 | 65.8° | 60.6° |
| N9 | C27 | C26 | H20 | 179.2° | 61.5° |
| N9 | C27 | C26 | H21 | 61.2° | 178.4° |
| N9 | C27 | H22 | H23 | 118.5° | 120.1° |
| C27 | C26 | H20 | H21 | 119.4° | 120.1° |
| C26 | C27 | H22 | H23 | 118.5° | 120.0° |
| C22 | N5 | N6 | C15 | 179.4° | 180.0° |
| C22 | N5 | N6 | C19 | 179.8° | 179.8° |
| C22 | N5 | C15 | C16 | 179.8° | 180.0° |
| C22 | N5 | C15 | N2 | 0.7° | 0.3° |
| N5 | C22 | H7 | H8 | 118.1° | 120.0° |
| N5 | C22 | C23 | H9 | 97.6° | 60.1° |
| N5 | C22 | C23 | H10 | 21.9° | 60.0° |
| N5 | N6 | C19 | C16 | 0.2° | 0.4° |
| N6 | N5 | C15 | C16 | 0.5° | 0.0° |
| N6 | N5 | C15 | N2 | 179.9° | 179.7° |
| N6 | N5 | C22 | H7 | 138.8° | 150.0° |
| N6 | N5 | C22 | H8 | 20.1° | 30.0° |
| N5 | N6 | C19 | H11 | 179.8° | 180.0° |
| C19 | N6 | N5 | C15 | 0.5° | 0.2° |
| N6 | C19 | C16 | H11 | 180.0° | 179.7° |
| N6 | C19 | C16 | C15 | 0.1° | 0.4° |
| N6 | C19 | C16 | C17 | 179.9° | 179.6° |
| N5 | C15 | C16 | C19 | 0.4° | 0.2° |
| N5 | C15 | C16 | N2 | 179.6° | 179.7° |
| N5 | C15 | C16 | C17 | 179.8° | 179.7° |
| N5 | C15 | N2 | C18 | 179.6° | 179.6° |
| C15 | N5 | C22 | H7 | 42.0° | 30.0° |
| C15 | N5 | C22 | H8 | 160.7° | 150.0° |
| C19 | C16 | C15 | C17 | 179.8° | 180.0° |
| C19 | C16 | C15 | N2 | 179.9° | 180.0° |
| C19 | C16 | C17 | N7 | 0.1° | 0.0° |
| C19 | C16 | C17 | N3 | 179.9° | 180.0° |
| C16 | C15 | N2 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | N7 | 179.8° | 180.0° |
| C15 | C16 | C17 | N3 | 0.1° | 0.0° |
| C15 | C16 | C19 | H11 | 179.9° | 179.9° |
| N2 | C15 | C16 | C17 | 0.2° | 0.0° |
| C15 | N2 | C18 | N3 | 0.0° | 0.1° |
| C15 | N2 | C18 | N4 | 180.0° | 180.0° |
| C16 | C17 | N7 | N3 | 180.0° | 180.0° |
| C16 | C17 | N3 | C18 | 0.0° | 0.0° |
| C16 | C17 | N7 | C20 | 179.9° | 180.0° |
| C16 | C17 | N3 | N8 | 180.0° | 180.0° |
| C17 | C16 | C19 | H11 | 0.1° | 0.1° |
| N2 | C18 | N3 | C17 | 0.1° | 0.1° |
| N2 | C18 | N3 | N4 | 180.0° | 179.9° |
| N2 | C18 | N3 | N8 | 179.9° | 180.0° |
| N2 | C18 | N4 | H43 | 0.0° | 180.0° |
| N2 | C18 | N4 | H44 | 120.0° | 0.0° |
| N7 | C17 | N3 | C18 | 180.0° | 180.0° |
| N7 | C17 | N3 | N8 | 0.0° | 0.0° |
| C17 | N7 | C20 | N8 | 0.2° | 0.0° |
| C17 | N7 | C20 | C21 | 179.7° | 180.0° |
| C17 | N3 | C18 | N8 | 180.0° | 180.0° |
| C17 | N3 | C18 | N4 | 179.9° | 180.0° |
| N3 | C17 | N7 | C20 | 0.1° | 0.0° |
| C17 | N3 | N8 | C20 | 0.1° | 0.0° |
| C18 | N3 | N8 | C20 | 179.9° | 180.0° |
| N3 | C18 | N4 | H43 | 180.0° | 0.1° |
| N3 | C18 | N4 | H44 | 60.0° | 180.0° |
| N4 | C18 | N3 | N8 | 0.1° | 0.0° |
| C18 | N4 | H43 | H44 | 120.0° | 180.0° |
| N7 | C20 | N8 | N3 | 0.2° | 0.0° |
| N7 | C20 | N8 | C21 | 179.5° | 180.0° |
| N7 | C20 | C21 | C36 | 15.3° | 180.0° |
| N7 | C20 | C21 | O9 | 164.0° | 0.0° |
| N3 | N8 | C20 | C21 | 179.7° | 180.0° |
| N8 | C20 | C21 | C36 | 165.2° | 0.1° |
| N8 | C20 | C21 | O9 | 15.5° | 179.9° |
| C20 | C21 | C36 | O9 | 179.4° | 180.0° |
| C20 | C21 | C36 | C37 | 179.6° | 180.0° |
| C20 | C21 | O9 | C38 | 179.7° | 179.8° |
| C20 | C21 | C36 | H6 | 0.4° | 0.2° |
| C21 | C36 | C37 | H6 | 180.0° | 179.8° |
| C36 | C21 | O9 | C38 | 0.3° | 0.2° |
| C21 | C36 | C37 | C38 | 0.2° | 0.2° |
| C21 | C36 | C37 | H27 | 179.8° | 179.7° |
| O9 | C21 | C36 | C37 | 0.3° | 0.0° |
| C21 | O9 | C38 | C37 | 0.1° | 0.3° |
| O9 | C21 | C36 | H6 | 179.8° | 179.8° |
| C21 | O9 | C38 | H28 | 179.9° | 180.0° |
| C36 | C37 | C38 | O9 | 0.0° | 0.3° |
| C36 | C37 | C38 | H27 | 180.0° | 179.9° |
| C36 | C37 | C38 | H28 | 180.0° | 180.0° |
| O9 | C38 | C37 | H28 | 180.0° | 179.7° |
| O9 | C38 | C37 | H27 | 180.0° | 179.6° |
| C38 | C37 | C36 | H6 | 179.9° | 180.0° |
| H1 | C29 | C30 | H2 | 0.3° | 0.0° |
| H3 | C32 | C33 | H26 | 0.0° | 0.2° |
| H6 | C36 | C37 | H27 | 0.2° | 0.1° |
| H7 | C22 | C23 | H9 | 141.8° | 60.0° |
| H7 | C22 | C23 | H10 | 98.7° | 179.9° |
| H8 | C22 | C23 | H9 | 23.1° | 180.0° |
| H8 | C22 | C23 | H10 | 142.6° | 60.0° |
| H12 | C25 | C24 | H18 | 58.8° | 61.6° |
| H12 | C25 | C24 | H19 | 60.2° | 58.5° |
| H13 | C25 | C24 | H18 | 60.7° | 58.3° |
| H13 | C25 | C24 | H19 | 179.8° | 178.4° |
| H14 | C1 | C2 | H17 | 95.2° | 55.0° |
| H14 | C1 | C2 | H68 | 143.6° | 65.0° |
| H15 | C1 | C2 | H17 | 25.8° | 65.0° |
| H15 | C1 | C2 | H68 | 95.4° | 175.0° |
| H20 | C26 | C27 | H22 | 60.3° | 178.5° |
| H20 | C26 | C27 | H23 | 58.7° | 58.5° |
| H21 | C26 | C27 | H22 | 59.3° | 58.4° |
| H21 | C26 | C27 | H23 | 178.3° | 61.6° |
| H24 | C3 | C4 | H29 | 3.8° | 55.0° |
| H24 | C3 | C4 | H30 | 124.3° | 65.1° |
| H25 | C3 | C4 | H29 | 124.4° | 65.0° |
| H25 | C3 | C4 | H30 | 115.2° | 175.0° |
| H27 | C37 | C38 | H28 | 0.0° | 0.1° |
| H31 | C5 | C6 | H33 | 89.3° | 55.0° |
| H31 | C5 | C6 | H34 | 29.5° | 65.0° |
| H32 | C5 | C6 | H33 | 151.0° | 65.0° |
| H32 | C5 | C6 | H34 | 90.2° | 175.0° |
| H35 | C7 | C8 | H37 | 174.0° | 55.0° |
| H35 | C7 | C8 | H38 | 66.2° | 65.0° |
| H36 | C7 | C8 | H37 | 65.7° | 65.0° |
| H36 | C7 | C8 | H38 | 54.1° | 175.0° |
| H37 | C8 | N1 | H42 | 178.4° | 120.0° |
| H38 | C8 | N1 | H42 | 61.8° | 120.0° |
| H39 | C9 | H40 | C10 | 111.1° | 119.9° |
| H39 | C9 | C10 | N11 | 90.0° | 59.9° |
| H39 | C9 | C10 | O5 | 90.0° | 120.0° |
| H40 | C9 | C10 | N11 | 90.0° | 60.0° |
| H40 | C9 | C10 | O5 | 90.0° | 120.0° |
| C9 | C10 | N11 | O5 | 90.0° | 180.0° |
| C9 | C10 | N11 | C12 | 90.0° | 180.0° |
| C9 | C10 | N11 | H16 | 90.0° | 0.1° |
| C10 | N11 | C12 | H16 | 90.0° | 179.9° |
| C10 | N11 | C12 | C13 | 90.0° | 180.0° |
| C10 | N11 | C12 | H41 | 90.0° | 60.0° |
| C10 | N11 | C12 | H45 | 90.0° | 60.1° |
| N11 | C12 | C13 | H41 | 90.0° | 120.0° |
| N11 | C12 | C13 | H45 | 90.0° | 119.9° |
| N11 | C12 | C13 | C14 | 90.0° | 180.0° |
| C12 | N11 | C10 | O5 | 90.0° | 0.0° |
| N11 | C12 | H41 | H45 | 90.0° | 120.0° |
| N11 | C12 | C13 | H46 | 90.0° | 60.0° |
| N11 | C12 | C13 | H47 | 90.0° | 60.1° |
| C12 | C13 | C14 | H46 | 90.0° | 120.0° |
| C12 | C13 | C14 | H47 | 90.0° | 119.9° |
| C12 | C13 | C14 | C39 | 90.0° | 180.0° |
| C13 | C12 | N11 | H16 | 90.0° | 0.0° |
| C13 | C12 | H41 | H45 | 90.0° | 120.0° |
| C12 | C13 | H46 | H47 | 90.0° | 120.0° |
| C12 | C13 | C14 | H48 | 90.0° | 60.0° |
| C12 | C13 | C14 | H49 | 90.0° | 60.0° |
| C13 | C14 | C39 | H48 | 90.0° | 120.0° |
| C13 | C14 | C39 | H49 | 90.0° | 120.0° |
| C13 | C14 | C39 | C40 | 90.0° | 180.0° |
| C14 | C13 | C12 | H41 | 90.0° | 60.0° |
| C14 | C13 | C12 | H45 | 90.0° | 60.1° |
| C14 | C13 | H46 | H47 | 90.0° | 120.0° |
| C13 | C14 | H48 | H49 | 90.0° | 120.0° |
| C13 | C14 | C39 | H50 | 90.0° | 59.9° |
| C13 | C14 | C39 | H51 | 90.0° | 60.0° |
| C14 | C39 | C40 | H50 | 90.0° | 120.0° |
| C14 | C39 | C40 | H51 | 90.0° | 120.0° |
| C14 | C39 | C40 | C11 | 90.0° | 180.0° |
| C39 | C14 | C13 | H46 | 90.0° | 60.0° |
| C39 | C14 | C13 | H47 | 90.0° | 60.1° |
| C39 | C14 | H48 | H49 | 90.0° | 120.0° |
| C14 | C39 | H50 | H51 | 90.0° | 119.9° |
| C14 | C39 | C40 | H52 | 90.0° | 60.0° |
| C14 | C39 | C40 | H53 | 90.0° | 60.0° |
| C39 | C40 | C11 | H52 | 90.0° | 120.1° |
| C39 | C40 | C11 | H53 | 90.0° | 120.0° |
| C39 | C40 | C11 | C41 | 90.0° | 85.0° |
| C39 | C40 | C11 | C45 | 90.0° | 94.7° |
| C40 | C39 | C14 | H48 | 90.0° | 60.0° |
| C40 | C39 | C14 | H49 | 90.0° | 60.0° |
| C40 | C39 | H50 | H51 | 90.0° | 120.0° |
| C39 | C40 | H52 | H53 | 90.0° | 120.0° |
| O5 | C10 | N11 | H16 | 90.0° | 180.0° |
| C40 | C11 | C41 | C45 | 90.0° | 179.7° |
| C40 | C11 | C41 | N12 | 90.0° | 179.9° |
| C40 | C11 | C45 | N13 | 90.0° | 179.8° |
| C40 | C11 | C41 | C44 | 90.0° | 0.0° |
| C40 | C11 | C45 | C48 | 90.0° | 0.4° |
| C11 | C40 | C39 | H50 | 90.0° | 59.9° |
| C11 | C40 | C39 | H51 | 90.0° | 60.0° |
| C11 | C40 | H52 | H53 | 90.0° | 119.9° |
| C11 | C41 | N12 | C44 | 90.0° | 180.0° |
| C11 | C41 | N12 | B1 | 90.0° | 0.0° |
| C41 | C11 | C45 | N13 | 90.0° | 0.5° |
| C11 | C41 | N12 | C42 | 90.0° | 180.0° |
| C11 | C41 | C44 | C43 | 90.0° | 180.0° |
| C41 | C11 | C45 | C48 | 90.0° | 179.9° |
| C41 | C11 | C40 | H52 | 90.0° | 154.9° |
| C41 | C11 | C40 | H53 | 90.0° | 35.0° |
| C11 | C41 | C44 | C49 | 90.0° | 0.0° |
| C41 | N12 | B1 | C42 | 90.0° | 180.0° |
| C41 | N12 | B1 | N13 | 90.0° | 0.0° |
| N12 | C41 | C11 | C45 | 90.0° | 0.2° |
| C41 | N12 | B1 | F2 | 90.0° | 122.0° |
| C41 | N12 | B1 | F1 | 90.0° | 122.0° |
| C41 | N12 | C42 | C43 | 90.0° | 0.0° |
| N12 | C41 | C44 | C43 | 90.0° | 0.0° |
| N12 | C41 | C44 | C49 | 90.0° | 180.0° |
| C41 | N12 | C42 | C50 | 90.0° | 180.0° |
| N12 | B1 | N13 | F2 | 90.0° | 122.0° |
| N12 | B1 | N13 | F1 | 90.0° | 122.0° |
| N12 | B1 | N13 | C45 | 90.0° | 0.2° |
| N12 | B1 | F2 | F1 | 90.0° | 116.2° |
| B1 | N12 | C42 | C43 | 90.0° | 180.0° |
| B1 | N12 | C41 | C44 | 90.0° | 180.0° |
| N12 | B1 | N13 | C46 | 90.0° | 180.0° |
| B1 | N12 | C42 | C50 | 90.0° | 0.0° |
| B1 | N13 | C45 | C46 | 90.0° | 179.8° |
| B1 | N13 | C45 | C11 | 90.0° | 0.5° |
| N13 | B1 | F2 | F1 | 90.0° | 116.2° |
| N13 | B1 | N12 | C42 | 90.0° | 180.0° |
| B1 | N13 | C46 | C47 | 90.0° | 180.0° |
| B1 | N13 | C45 | C48 | 90.0° | 180.0° |
| B1 | N13 | C46 | C51 | 90.0° | 0.0° |
| N13 | C45 | C11 | C48 | 90.0° | 179.4° |
| C45 | N13 | B1 | F2 | 90.0° | 122.2° |
| C45 | N13 | B1 | F1 | 90.0° | 121.8° |
| C45 | N13 | C46 | C47 | 90.0° | 0.2° |
| N13 | C45 | C48 | C47 | 90.0° | 0.1° |
| C45 | N13 | C46 | C51 | 90.0° | 179.8° |
| N13 | C45 | C48 | C52 | 90.0° | 179.9° |
| C45 | C11 | C41 | C44 | 90.0° | 179.7° |
| C11 | C45 | N13 | C46 | 90.0° | 179.7° |
| C11 | C45 | C48 | C47 | 90.0° | 179.5° |
| C45 | C11 | C40 | H52 | 90.0° | 25.3° |
| C45 | C11 | C40 | H53 | 90.0° | 145.3° |
| C11 | C45 | C48 | C52 | 90.0° | 0.4° |
| F2 | B1 | N12 | C42 | 90.0° | 58.0° |
| F2 | B1 | N13 | C46 | 90.0° | 58.0° |
| F1 | B1 | N12 | C42 | 90.0° | 58.0° |
| F1 | B1 | N13 | C46 | 90.0° | 58.0° |
| N12 | C42 | C43 | C50 | 90.0° | 180.0° |
| N12 | C42 | C43 | C44 | 90.0° | 0.0° |
| C42 | N12 | C41 | C44 | 90.0° | 0.0° |
| N12 | C42 | C43 | H59 | 90.0° | 180.0° |
| N12 | C42 | C50 | H58 | 90.0° | 90.0° |
| N12 | C42 | C50 | H60 | 90.0° | 150.0° |
| N12 | C42 | C50 | H61 | 90.0° | 30.0° |
| C42 | C43 | C44 | H59 | 90.0° | 180.0° |
| C42 | C43 | C44 | C41 | 90.0° | 0.0° |
| C42 | C43 | C44 | C49 | 90.0° | 180.0° |
| C43 | C42 | C50 | H58 | 90.0° | 90.0° |
| C43 | C42 | C50 | H60 | 90.0° | 30.0° |
| C43 | C42 | C50 | H61 | 90.0° | 150.0° |
| C43 | C44 | C41 | C49 | 90.0° | 180.0° |
| C44 | C43 | C42 | C50 | 90.0° | 180.0° |
| C43 | C44 | C49 | H55 | 90.0° | 90.0° |
| C43 | C44 | C49 | H56 | 90.0° | 150.0° |
| C43 | C44 | C49 | H57 | 90.0° | 30.0° |
| C41 | C44 | C43 | H59 | 90.0° | 180.0° |
| C41 | C44 | C49 | H55 | 90.0° | 90.0° |
| C41 | C44 | C49 | H56 | 90.0° | 30.0° |
| C41 | C44 | C49 | H57 | 90.0° | 149.9° |
| N13 | C46 | C47 | C51 | 90.0° | 180.0° |
| N13 | C46 | C47 | C48 | 90.0° | 0.2° |
| C46 | N13 | C45 | C48 | 90.0° | 0.2° |
| N13 | C46 | C47 | H65 | 90.0° | 180.0° |
| N13 | C46 | C51 | H62 | 90.0° | 90.0° |
| N13 | C46 | C51 | H63 | 90.0° | 150.0° |
| N13 | C46 | C51 | H64 | 90.0° | 30.0° |
| C46 | C47 | C48 | H65 | 90.0° | 179.8° |
| C46 | C47 | C48 | C45 | 90.0° | 0.1° |
| C46 | C47 | C48 | C52 | 90.0° | 180.0° |
| C47 | C46 | C51 | H62 | 90.0° | 90.0° |
| C47 | C46 | C51 | H63 | 90.0° | 30.0° |
| C47 | C46 | C51 | H64 | 90.0° | 149.9° |
| C47 | C48 | C45 | C52 | 90.0° | 179.9° |
| C48 | C47 | C46 | C51 | 90.0° | 179.8° |
| C47 | C48 | C52 | H66 | 90.0° | 0.0° |
| C47 | C48 | C52 | H67 | 90.0° | 120.0° |
| C47 | C48 | C52 | H69 | 90.0° | 120.0° |
| C45 | C48 | C47 | H65 | 90.0° | 179.9° |
| C45 | C48 | C52 | H66 | 90.0° | 179.9° |
| C45 | C48 | C52 | H67 | 90.0° | 60.1° |
| C45 | C48 | C52 | H69 | 90.0° | 59.9° |
| H16 | N11 | C12 | H41 | 90.0° | 120.0° |
| H16 | N11 | C12 | H45 | 90.0° | 120.0° |
| H41 | C12 | C13 | H46 | 90.0° | 180.0° |
| H41 | C12 | C13 | H47 | 90.0° | 59.9° |
| H45 | C12 | C13 | H46 | 90.0° | 59.9° |
| H45 | C12 | C13 | H47 | 90.0° | 180.0° |
| H46 | C13 | C14 | H48 | 90.0° | 180.0° |
| H46 | C13 | C14 | H49 | 90.0° | 60.0° |
| H47 | C13 | C14 | H48 | 90.0° | 59.9° |
| H47 | C13 | C14 | H49 | 90.0° | 180.0° |
| H48 | C14 | C39 | H50 | 90.0° | 179.9° |
| H48 | C14 | C39 | H51 | 90.0° | 60.0° |
| H49 | C14 | C39 | H50 | 90.0° | 60.1° |
| H49 | C14 | C39 | H51 | 90.0° | 180.0° |
| H50 | C39 | C40 | H52 | 90.0° | 180.0° |
| H50 | C39 | C40 | H53 | 90.0° | 60.0° |
| H51 | C39 | C40 | H52 | 90.0° | 60.0° |
| H51 | C39 | C40 | H53 | 90.0° | 180.0° |
| H59 | C43 | C44 | C49 | 90.0° | 0.0° |
| H59 | C43 | C42 | C50 | 90.0° | 0.0° |
| H65 | C47 | C46 | C51 | 90.0° | 0.0° |
| H65 | C47 | C48 | C52 | 90.0° | 0.2° |
| C44 | C49 | H55 | H56 | 90.0° | 120.0° |
| C44 | C49 | H55 | H57 | 90.0° | 120.0° |
| C44 | C49 | H56 | H57 | 90.0° | 120.0° |
| C42 | C50 | H58 | H60 | 90.0° | 120.0° |
| C42 | C50 | H58 | H61 | 90.0° | 120.0° |
| C42 | C50 | H60 | H61 | 90.0° | 120.0° |
| C46 | C51 | H62 | H63 | 90.0° | 120.0° |
| C46 | C51 | H62 | H64 | 90.0° | 120.1° |
| C46 | C51 | H63 | H64 | 90.0° | 120.0° |
| C48 | C52 | H66 | H67 | 90.0° | 120.0° |
| C48 | C52 | H66 | H69 | 90.0° | 120.0° |
| C48 | C52 | H67 | H69 | 90.0° | 120.0° |
| H55 | C49 | H56 | H57 | 90.0° | 120.0° |
| H58 | C50 | H60 | H61 | 90.0° | 120.0° |
| H62 | C51 | H63 | H64 | 90.0° | 120.0° |
| H66 | C52 | H67 | H69 | 90.0° | 119.9° |
