1K1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| O4 | P1 | doub | 1.48Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| P1 | O3 | sing | 1.61Å | 1.61Å | |
| P1 | O5 | sing | 1.61Å | 1.51Å | |
| P1 | O6 | sing | 1.61Å | 1.61Å | |
| C19 | O3 | sing | 1.43Å | 1.47Å | |
| C19 | C1 | sing | 1.53Å | 1.51Å | |
| O2 | C3 | doub | 1.21Å | 1.20Å | |
| O1 | C3 | sing | 1.34Å | 1.34Å | |
| O1 | C2 | sing | 1.45Å | 1.44Å | |
| O6 | C20 | sing | 1.43Å | 1.45Å | |
| O10 | C1 | sing | 1.45Å | 1.47Å | |
| O10 | C29 | sing | 1.34Å | 1.36Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| O11 | C29 | doub | 1.21Å | 1.21Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| O7 | C21 | sing | 1.43Å | 1.43Å | |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C22 | O8 | sing | 1.45Å | 1.44Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| O8 | C23 | sing | 1.34Å | 1.32Å | |
| N2 | C28 | sing | 1.47Å | 1.47Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C23 | O9 | doub | 1.21Å | 1.21Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | N1 | sing | 1.47Å | 1.49Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.51Å | |
| C35 | C36 | sing | 1.53Å | 1.50Å | |
| C36 | C37 | sing | 1.51Å | 1.50Å | |
| C37 | C38 | doub | 1.31Å | 1.32Å | |
| C38 | C39 | sing | 1.51Å | 1.51Å | |
| C39 | C40 | sing | 1.53Å | 1.51Å | |
| C40 | C41 | sing | 1.53Å | 1.54Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C42 | C43 | sing | 1.53Å | 1.54Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.09Å | 1.10Å | |
| O5 | H37 | sing | 0.97Å | 0.95Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C20 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| O7 | H41 | sing | 0.97Å | 0.95Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C22 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| N1 | H45 | sing | 1.01Å | 1.00Å | |
| N1 | H46 | sing | 1.01Å | 1.00Å | |
| C25 | H48 | sing | 1.09Å | 1.10Å | |
| C25 | H49 | sing | 1.09Å | 1.10Å | |
| C26 | H50 | sing | 1.09Å | 1.10Å | |
| C26 | H51 | sing | 1.09Å | 1.10Å | |
| C27 | H52 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | sing | 1.09Å | 1.10Å | |
| C28 | H54 | sing | 1.09Å | 1.10Å | |
| C28 | H55 | sing | 1.09Å | 1.10Å | |
| N2 | H56 | sing | 1.01Å | 1.00Å | |
| N2 | H57 | sing | 1.01Å | 1.00Å | |
| C30 | H59 | sing | 1.09Å | 1.10Å | |
| C30 | H60 | sing | 1.09Å | 1.10Å | |
| C31 | H61 | sing | 1.09Å | 1.10Å | |
| C31 | H62 | sing | 1.09Å | 1.10Å | |
| C32 | H63 | sing | 1.09Å | 1.10Å | |
| C32 | H64 | sing | 1.09Å | 1.10Å | |
| C33 | H65 | sing | 1.09Å | 1.10Å | |
| C33 | H66 | sing | 1.09Å | 1.10Å | |
| C34 | H67 | sing | 1.09Å | 1.10Å | |
| C34 | H68 | sing | 1.09Å | 1.10Å | |
| C35 | H69 | sing | 1.09Å | 1.10Å | |
| C35 | H70 | sing | 1.09Å | 1.10Å | |
| C36 | H71 | sing | 1.09Å | 1.10Å | |
| C36 | H72 | sing | 1.09Å | 1.10Å | |
| C37 | H73 | sing | 1.08Å | 1.08Å | |
| C38 | H74 | sing | 1.08Å | 1.08Å | |
| C39 | H75 | sing | 1.09Å | 1.10Å | |
| C39 | H76 | sing | 1.09Å | 1.10Å | |
| C40 | H77 | sing | 1.09Å | 1.10Å | |
| C40 | H78 | sing | 1.09Å | 1.10Å | |
| C41 | H79 | sing | 1.09Å | 1.10Å | |
| C41 | H80 | sing | 1.09Å | 1.10Å | |
| C42 | H81 | sing | 1.09Å | 1.10Å | |
| C42 | H82 | sing | 1.09Å | 1.10Å | |
| C43 | H83 | sing | 1.09Å | 1.10Å | |
| C44 | H84 | sing | 1.09Å | 1.10Å | |
| C45 | H85 | sing | 1.09Å | 1.10Å | |
| C45 | H86 | sing | 1.09Å | 1.10Å | |
| C46 | H87 | sing | 1.09Å | 1.10Å | |
| C46 | H88 | sing | 1.09Å | 1.10Å | |
| C46 | H89 | sing | 1.09Å | 1.10Å | |
| C43 | H47 | sing | 1.09Å | 1.10Å | |
| C44 | H58 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 115.6° | 109.5° |
| C18 | C17 | H30 | 107.9° | 109.5° |
| C18 | C17 | H31 | 107.9° | 109.5° |
| C17 | C18 | H32 | 109.5° | 109.5° |
| C17 | C18 | H33 | 109.5° | 109.5° |
| C17 | C18 | H34 | 109.4° | 109.5° |
| C17 | C16 | C15 | 116.8° | 109.5° |
| C17 | C16 | H28 | 107.6° | 109.4° |
| C17 | C16 | H29 | 107.6° | 109.5° |
| C16 | C17 | H30 | 107.9° | 109.4° |
| C16 | C17 | H31 | 107.9° | 109.5° |
| O4 | P1 | O3 | 117.1° | 109.4° |
| O4 | P1 | O5 | 118.9° | 109.4° |
| O4 | P1 | O6 | 98.2° | 109.4° |
| C16 | C15 | C14 | 116.7° | 109.5° |
| C16 | C15 | H26 | 107.6° | 109.5° |
| C16 | C15 | H27 | 107.7° | 109.5° |
| C15 | C16 | H28 | 107.6° | 109.5° |
| C15 | C16 | H29 | 107.6° | 109.5° |
| C15 | C14 | C13 | 115.2° | 109.5° |
| C15 | C14 | H24 | 108.0° | 109.5° |
| C15 | C14 | H25 | 108.0° | 109.5° |
| C14 | C15 | H26 | 107.6° | 109.5° |
| C14 | C15 | H27 | 107.6° | 109.4° |
| C14 | C13 | C12 | 115.0° | 109.5° |
| C14 | C13 | H22 | 108.1° | 109.5° |
| C14 | C13 | H23 | 108.0° | 109.4° |
| C13 | C14 | H24 | 108.0° | 109.5° |
| C13 | C14 | H25 | 108.0° | 109.4° |
| O3 | P1 | O5 | 106.0° | 109.5° |
| O3 | P1 | O6 | 99.7° | 109.5° |
| P1 | O3 | C19 | 122.0° | 123.0° |
| O5 | P1 | O6 | 115.4° | 109.5° |
| P1 | O5 | H37 | 109.5° | 114.0° |
| P1 | O6 | C20 | 120.4° | 123.0° |
| O3 | C19 | C1 | 109.7° | 109.5° |
| O3 | C19 | H35 | 109.4° | 109.4° |
| O3 | C19 | H36 | 109.4° | 109.4° |
| C19 | C1 | O10 | 108.8° | 109.5° |
| C19 | C1 | C2 | 112.0° | 109.5° |
| C19 | C1 | H1 | 107.7° | 109.4° |
| C1 | C19 | H35 | 109.4° | 109.5° |
| C1 | C19 | H36 | 109.4° | 109.5° |
| O2 | C3 | O1 | 123.2° | 120.0° |
| O2 | C3 | C4 | 122.5° | 120.0° |
| C3 | O1 | C2 | 113.7° | 117.0° |
| O1 | C3 | C4 | 114.3° | 120.0° |
| O1 | C2 | C1 | 112.8° | 109.4° |
| O1 | C2 | H2 | 108.6° | 109.5° |
| O1 | C2 | H3 | 108.6° | 109.5° |
| O6 | C20 | C21 | 113.2° | 109.5° |
| O6 | C20 | H38 | 108.5° | 109.5° |
| O6 | C20 | H39 | 108.5° | 109.4° |
| C1 | O10 | C29 | 118.9° | 117.0° |
| O10 | C1 | C2 | 112.4° | 109.5° |
| O10 | C1 | H1 | 108.2° | 109.5° |
| O10 | C29 | O11 | 121.1° | 120.0° |
| O10 | C29 | C30 | 116.1° | 120.0° |
| C3 | C4 | C5 | 114.2° | 109.5° |
| C3 | C4 | H4 | 108.3° | 109.5° |
| C3 | C4 | H5 | 108.3° | 109.5° |
| C2 | C1 | H1 | 107.6° | 109.4° |
| C1 | C2 | H2 | 108.6° | 109.5° |
| C1 | C2 | H3 | 108.6° | 109.4° |
| C13 | C12 | C11 | 114.4° | 109.5° |
| C13 | C12 | H20 | 108.2° | 109.5° |
| C13 | C12 | H21 | 108.2° | 109.4° |
| C12 | C13 | H22 | 108.1° | 109.5° |
| C12 | C13 | H23 | 108.1° | 109.5° |
| C4 | C5 | C6 | 113.5° | 109.4° |
| C5 | C4 | H4 | 108.3° | 109.4° |
| C5 | C4 | H5 | 108.3° | 109.5° |
| C4 | C5 | H6 | 108.4° | 109.4° |
| C4 | C5 | H7 | 108.5° | 109.5° |
| C5 | C6 | C7 | 116.5° | 109.4° |
| C6 | C5 | H6 | 108.5° | 109.4° |
| C6 | C5 | H7 | 108.5° | 109.5° |
| C5 | C6 | H8 | 107.7° | 109.4° |
| C5 | C6 | H9 | 107.7° | 109.5° |
| O11 | C29 | C30 | 122.7° | 120.0° |
| C8 | C7 | C6 | 116.0° | 109.5° |
| C7 | C8 | C9 | 116.2° | 109.5° |
| C8 | C7 | H10 | 107.8° | 109.5° |
| C8 | C7 | H11 | 107.8° | 109.4° |
| C7 | C8 | H12 | 107.8° | 109.4° |
| C7 | C8 | H13 | 107.8° | 109.4° |
| C7 | C6 | H8 | 107.7° | 109.4° |
| C7 | C6 | H9 | 107.7° | 109.5° |
| C6 | C7 | H10 | 107.8° | 109.4° |
| C6 | C7 | H11 | 107.8° | 109.5° |
| C8 | C9 | C10 | 115.9° | 109.5° |
| C9 | C8 | H12 | 107.7° | 109.5° |
| C9 | C8 | H13 | 107.7° | 109.5° |
| C8 | C9 | H14 | 107.9° | 109.5° |
| C8 | C9 | H15 | 107.8° | 109.4° |
| O7 | C21 | C20 | 113.6° | 109.5° |
| O7 | C21 | C22 | 110.2° | 109.4° |
| O7 | C21 | H40 | 108.6° | 109.5° |
| C21 | O7 | H41 | 109.5° | 114.0° |
| C29 | C30 | C31 | 115.5° | 109.5° |
| C29 | C30 | H59 | 107.9° | 109.5° |
| C29 | C30 | H60 | 108.0° | 109.5° |
| C12 | C11 | C10 | 114.0° | 109.5° |
| C12 | C11 | H18 | 108.3° | 109.5° |
| C12 | C11 | H19 | 108.3° | 109.5° |
| C11 | C12 | H20 | 108.2° | 109.5° |
| C11 | C12 | H21 | 108.2° | 109.5° |
| C20 | C21 | C22 | 109.1° | 109.5° |
| C21 | C20 | H38 | 108.5° | 109.5° |
| C21 | C20 | H39 | 108.5° | 109.5° |
| C20 | C21 | H40 | 107.6° | 109.5° |
| C21 | C22 | O8 | 105.4° | 109.5° |
| C22 | C21 | H40 | 107.7° | 109.4° |
| C21 | C22 | H42 | 110.5° | 109.5° |
| C21 | C22 | H43 | 110.5° | 109.4° |
| C9 | C10 | C11 | 116.0° | 109.5° |
| C10 | C9 | H14 | 107.9° | 109.5° |
| C10 | C9 | H15 | 107.9° | 109.5° |
| C9 | C10 | H16 | 107.8° | 109.4° |
| C9 | C10 | H17 | 107.8° | 109.5° |
| C11 | C10 | H16 | 107.8° | 109.4° |
| C11 | C10 | H17 | 107.8° | 109.5° |
| C10 | C11 | H18 | 108.3° | 109.4° |
| C10 | C11 | H19 | 108.3° | 109.5° |
| C30 | C31 | C32 | 111.6° | 109.5° |
| C31 | C30 | H59 | 107.9° | 109.4° |
| C31 | C30 | H60 | 108.0° | 109.5° |
| C30 | C31 | H61 | 108.9° | 109.4° |
| C30 | C31 | H62 | 108.9° | 109.5° |
| C22 | O8 | C23 | 116.1° | 117.0° |
| O8 | C22 | H42 | 110.5° | 109.5° |
| O8 | C22 | H43 | 110.5° | 109.5° |
| C31 | C32 | C33 | 115.2° | 109.5° |
| C32 | C31 | H61 | 109.0° | 109.4° |
| C32 | C31 | H62 | 109.0° | 109.5° |
| C31 | C32 | H63 | 108.0° | 109.5° |
| C31 | C32 | H64 | 108.0° | 109.5° |
| C32 | C33 | C34 | 114.9° | 109.5° |
| C33 | C32 | H63 | 108.0° | 109.5° |
| C33 | C32 | H64 | 108.0° | 109.5° |
| C32 | C33 | H65 | 108.1° | 109.5° |
| C32 | C33 | H66 | 108.1° | 109.5° |
| O8 | C23 | O9 | 125.7° | 120.0° |
| O8 | C23 | C24 | 111.1° | 120.0° |
| N2 | C28 | C27 | 108.6° | 109.5° |
| N2 | C28 | H54 | 109.7° | 109.5° |
| N2 | C28 | H55 | 109.7° | 109.5° |
| C28 | N2 | H56 | 109.5° | 111.1° |
| C28 | N2 | H57 | 109.5° | 111.0° |
| C28 | C27 | C26 | 112.9° | 109.5° |
| C28 | C27 | H52 | 108.6° | 109.4° |
| C28 | C27 | H53 | 108.6° | 109.5° |
| C27 | C28 | H54 | 109.7° | 109.4° |
| C27 | C28 | H55 | 109.7° | 109.5° |
| C33 | C34 | C35 | 114.0° | 109.5° |
| C34 | C33 | H65 | 108.1° | 109.5° |
| C34 | C33 | H66 | 108.1° | 109.5° |
| C33 | C34 | H67 | 108.3° | 109.5° |
| C33 | C34 | H68 | 108.3° | 109.5° |
| O9 | C23 | C24 | 123.2° | 120.0° |
| C23 | C24 | C25 | 112.0° | 109.5° |
| C23 | C24 | N1 | 107.7° | 109.5° |
| C23 | C24 | H44 | 109.0° | 109.5° |
| C25 | C24 | N1 | 110.2° | 109.5° |
| C24 | C25 | C26 | 114.7° | 109.5° |
| C25 | C24 | H44 | 108.7° | 109.5° |
| C24 | C25 | H48 | 108.2° | 109.5° |
| C24 | C25 | H49 | 108.2° | 109.5° |
| N1 | C24 | H44 | 109.2° | 109.4° |
| C24 | N1 | H45 | 109.5° | 111.0° |
| C24 | N1 | H46 | 109.5° | 111.0° |
| C34 | C35 | C36 | 115.7° | 109.5° |
| C35 | C34 | H67 | 108.3° | 109.5° |
| C35 | C34 | H68 | 108.3° | 109.5° |
| C34 | C35 | H69 | 107.9° | 109.5° |
| C34 | C35 | H70 | 107.9° | 109.5° |
| C25 | C26 | C27 | 113.2° | 109.5° |
| C26 | C25 | H48 | 108.1° | 109.4° |
| C26 | C25 | H49 | 108.1° | 109.5° |
| C25 | C26 | H50 | 108.5° | 109.4° |
| C25 | C26 | H51 | 108.5° | 109.5° |
| C27 | C26 | H50 | 108.5° | 109.5° |
| C27 | C26 | H51 | 108.5° | 109.5° |
| C26 | C27 | H52 | 108.6° | 109.5° |
| C26 | C27 | H53 | 108.6° | 109.5° |
| C35 | C36 | C37 | 111.3° | 109.5° |
| C36 | C35 | H69 | 107.9° | 109.5° |
| C36 | C35 | H70 | 107.9° | 109.5° |
| C35 | C36 | H71 | 109.0° | 109.5° |
| C35 | C36 | H72 | 109.0° | 109.5° |
| C36 | C37 | C38 | 127.4° | 120.0° |
| C37 | C36 | H71 | 109.0° | 109.5° |
| C37 | C36 | H72 | 109.0° | 109.4° |
| C36 | C37 | H73 | 116.3° | 120.0° |
| C37 | C38 | C39 | 124.8° | 120.0° |
| C38 | C37 | H73 | 116.3° | 120.0° |
| C37 | C38 | H74 | 117.5° | 120.0° |
| C38 | C39 | C40 | 116.8° | 109.5° |
| C39 | C38 | H74 | 117.6° | 120.0° |
| C38 | C39 | H75 | 107.6° | 109.5° |
| C38 | C39 | H76 | 107.6° | 109.5° |
| C39 | C40 | C41 | 113.0° | 109.5° |
| C40 | C39 | H75 | 107.6° | 109.4° |
| C40 | C39 | H76 | 107.6° | 109.5° |
| C39 | C40 | H77 | 108.6° | 109.5° |
| C39 | C40 | H78 | 108.6° | 109.5° |
| C40 | C41 | C42 | 116.5° | 109.5° |
| C41 | C40 | H77 | 108.6° | 109.5° |
| C41 | C40 | H78 | 108.6° | 109.5° |
| C40 | C41 | H79 | 107.7° | 109.5° |
| C40 | C41 | H80 | 107.7° | 109.4° |
| C41 | C42 | C43 | 114.7° | 109.5° |
| C42 | C41 | H79 | 107.7° | 109.5° |
| C42 | C41 | H80 | 107.7° | 109.5° |
| C41 | C42 | H81 | 108.1° | 109.5° |
| C41 | C42 | H82 | 108.2° | 109.4° |
| C42 | C43 | C44 | 115.6° | 109.5° |
| C43 | C42 | H81 | 108.2° | 109.5° |
| C43 | C42 | H82 | 108.1° | 109.5° |
| C42 | C43 | H83 | 107.9° | 109.5° |
| C42 | C43 | H47 | 107.9° | 109.4° |
| C43 | C44 | C45 | 115.8° | 109.5° |
| C44 | C43 | H83 | 107.9° | 109.5° |
| C43 | C44 | H84 | 107.9° | 109.5° |
| C44 | C43 | H47 | 107.9° | 109.5° |
| C43 | C44 | H58 | 107.9° | 109.4° |
| C44 | C45 | C46 | 115.6° | 109.5° |
| C45 | C44 | H84 | 107.9° | 109.5° |
| C44 | C45 | H85 | 107.9° | 109.5° |
| C44 | C45 | H86 | 107.9° | 109.4° |
| C45 | C44 | H58 | 107.9° | 109.5° |
| C46 | C45 | H85 | 107.9° | 109.5° |
| C46 | C45 | H86 | 107.9° | 109.5° |
| C45 | C46 | H87 | 109.5° | 109.5° |
| C45 | C46 | H88 | 109.5° | 109.5° |
| C45 | C46 | H89 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.4° | 109.4° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.4° | 109.4° |
| H22 | C13 | H23 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.5° |
| H26 | C15 | H27 | 109.5° | 109.4° |
| H28 | C16 | H29 | 109.5° | 109.5° |
| H30 | C17 | H31 | 109.4° | 109.5° |
| H32 | C18 | H33 | 109.5° | 109.4° |
| H32 | C18 | H34 | 109.5° | 109.5° |
| H33 | C18 | H34 | 109.5° | 109.4° |
| H35 | C19 | H36 | 109.5° | 109.4° |
| H38 | C20 | H39 | 109.5° | 109.4° |
| H42 | C22 | H43 | 109.5° | 109.4° |
| H45 | N1 | H46 | 109.5° | 110.9° |
| H48 | C25 | H49 | 109.4° | 109.5° |
| H50 | C26 | H51 | 109.5° | 109.5° |
| H52 | C27 | H53 | 109.4° | 109.5° |
| H54 | C28 | H55 | 109.5° | 109.5° |
| H56 | N2 | H57 | 109.5° | 111.0° |
| H59 | C30 | H60 | 109.5° | 109.5° |
| H61 | C31 | H62 | 109.5° | 109.5° |
| H63 | C32 | H64 | 109.5° | 109.4° |
| H65 | C33 | H66 | 109.5° | 109.5° |
| H67 | C34 | H68 | 109.5° | 109.5° |
| H69 | C35 | H70 | 109.5° | 109.5° |
| H71 | C36 | H72 | 109.4° | 109.5° |
| H75 | C39 | H76 | 109.5° | 109.5° |
| H77 | C40 | H78 | 109.5° | 109.4° |
| H79 | C41 | H80 | 109.5° | 109.5° |
| H81 | C42 | H82 | 109.5° | 109.5° |
| H83 | C43 | H47 | 109.5° | 109.4° |
| H84 | C44 | H58 | 109.5° | 109.5° |
| H85 | C45 | H86 | 109.4° | 109.5° |
| H87 | C46 | H88 | 109.5° | 109.4° |
| H87 | C46 | H89 | 109.5° | 109.4° |
| H88 | C46 | H89 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H30 | 120.9° | 120.0° |
| C18 | C17 | C16 | H31 | 120.9° | 120.0° |
| C18 | C17 | C16 | C15 | 99.5° | 180.0° |
| C18 | C17 | C16 | H28 | 21.5° | 60.0° |
| C18 | C17 | C16 | H29 | 139.4° | 60.0° |
| C18 | C17 | H30 | H31 | 117.2° | 120.0° |
| C17 | C18 | H32 | H33 | 120.0° | 120.1° |
| C17 | C18 | H32 | H34 | 120.0° | 120.1° |
| C17 | C18 | H33 | H34 | 120.0° | 120.0° |
| C17 | C16 | C15 | H28 | 121.0° | 120.0° |
| C17 | C16 | C15 | H29 | 121.1° | 120.0° |
| C17 | C16 | C15 | C14 | 115.5° | 180.0° |
| C17 | C16 | C15 | H26 | 5.6° | 60.0° |
| C17 | C16 | C15 | H27 | 123.5° | 60.0° |
| C17 | C16 | H28 | H29 | 116.7° | 120.0° |
| C16 | C17 | H30 | H31 | 117.2° | 120.0° |
| C16 | C17 | C18 | H32 | 180.0° | 60.0° |
| C16 | C17 | C18 | H33 | 60.0° | 60.0° |
| C16 | C17 | C18 | H34 | 60.0° | 180.0° |
| O4 | P1 | O3 | O5 | 135.4° | 120.0° |
| O4 | P1 | O3 | O6 | 104.5° | 120.0° |
| O4 | P1 | O5 | O6 | 116.2° | 120.0° |
| O4 | P1 | O3 | C19 | 106.5° | 55.0° |
| O4 | P1 | O6 | C20 | 154.2° | 55.0° |
| O4 | P1 | O5 | H37 | 0.0° | 180.0° |
| C16 | C15 | C14 | H26 | 121.0° | 120.0° |
| C16 | C15 | C14 | H27 | 121.1° | 120.0° |
| C16 | C15 | C14 | C13 | 69.0° | 180.0° |
| C16 | C15 | C14 | H24 | 51.9° | 60.0° |
| C16 | C15 | C14 | H25 | 170.2° | 60.0° |
| C16 | C15 | H26 | H27 | 116.7° | 120.1° |
| C15 | C16 | H28 | H29 | 116.7° | 120.0° |
| C15 | C16 | C17 | H30 | 139.6° | 60.0° |
| C15 | C16 | C17 | H31 | 21.4° | 60.0° |
| C15 | C14 | C13 | H24 | 120.8° | 120.0° |
| C15 | C14 | C13 | H25 | 120.9° | 120.0° |
| C15 | C14 | C13 | C12 | 178.9° | 180.0° |
| C15 | C14 | C13 | H22 | 58.1° | 60.0° |
| C15 | C14 | C13 | H23 | 60.3° | 60.0° |
| C15 | C14 | H24 | H25 | 117.4° | 120.0° |
| C14 | C15 | H26 | H27 | 116.7° | 119.9° |
| C14 | C15 | C16 | H28 | 123.5° | 60.0° |
| C14 | C15 | C16 | H29 | 5.6° | 60.0° |
| C14 | C13 | C12 | H22 | 120.8° | 120.0° |
| C14 | C13 | C12 | H23 | 120.8° | 120.0° |
| C14 | C13 | C12 | C11 | 139.1° | 180.0° |
| C14 | C13 | C12 | H20 | 18.4° | 59.9° |
| C14 | C13 | C12 | H21 | 100.2° | 60.0° |
| C14 | C13 | H22 | H23 | 117.4° | 120.0° |
| C13 | C14 | H24 | H25 | 117.4° | 120.0° |
| C13 | C14 | C15 | H26 | 170.0° | 59.9° |
| C13 | C14 | C15 | H27 | 52.1° | 60.0° |
| O3 | P1 | O5 | O6 | 109.3° | 120.0° |
| P1 | O3 | C19 | C1 | 121.9° | 179.9° |
| O3 | P1 | O6 | C20 | 86.3° | 175.0° |
| P1 | O3 | C19 | H35 | 1.8° | 60.0° |
| P1 | O3 | C19 | H36 | 118.1° | 59.9° |
| O3 | P1 | O5 | H37 | 134.5° | 60.1° |
| O5 | P1 | O3 | C19 | 28.9° | 64.9° |
| O5 | P1 | O6 | C20 | 26.7° | 65.0° |
| O6 | P1 | O3 | C19 | 149.0° | 175.0° |
| P1 | O6 | C20 | C21 | 124.0° | 180.0° |
| O6 | P1 | O5 | H37 | 116.2° | 60.0° |
| P1 | O6 | C20 | H38 | 3.5° | 60.0° |
| P1 | O6 | C20 | H39 | 115.5° | 60.0° |
| O3 | C19 | C1 | H35 | 120.0° | 120.0° |
| O3 | C19 | C1 | H36 | 120.0° | 120.0° |
| O3 | C19 | C1 | O10 | 96.4° | 65.0° |
| O3 | C19 | C1 | C2 | 138.7° | 55.0° |
| O3 | C19 | C1 | H1 | 20.6° | 175.0° |
| O3 | C19 | H35 | H36 | 119.9° | 119.9° |
| C19 | C1 | C2 | O1 | 71.0° | 55.0° |
| C19 | C1 | O10 | C2 | 124.6° | 120.0° |
| C19 | C1 | O10 | H1 | 116.7° | 120.0° |
| C19 | C1 | O10 | C29 | 161.8° | 90.0° |
| C19 | C1 | C2 | H1 | 118.1° | 119.9° |
| C19 | C1 | C2 | H2 | 49.5° | 175.0° |
| C19 | C1 | C2 | H3 | 168.5° | 64.9° |
| C1 | C19 | H35 | H36 | 119.9° | 120.0° |
| O2 | C3 | O1 | C4 | 176.8° | 180.0° |
| O2 | C3 | O1 | C2 | 86.3° | 0.1° |
| O2 | C3 | C4 | C5 | 75.6° | 0.0° |
| O2 | C3 | C4 | H4 | 163.8° | 119.9° |
| O2 | C3 | C4 | H5 | 45.1° | 120.0° |
| C3 | O1 | C2 | C1 | 177.6° | 180.0° |
| O1 | C3 | C4 | C5 | 107.7° | 180.0° |
| C3 | O1 | C2 | H2 | 57.1° | 60.0° |
| C3 | O1 | C2 | H3 | 62.0° | 60.1° |
| O1 | C3 | C4 | H4 | 13.0° | 60.0° |
| O1 | C3 | C4 | H5 | 131.6° | 60.0° |
| O1 | C2 | C1 | O10 | 51.8° | 65.1° |
| C2 | O1 | C3 | C4 | 90.4° | 180.0° |
| O1 | C2 | C1 | H2 | 120.5° | 120.0° |
| O1 | C2 | C1 | H3 | 120.5° | 119.9° |
| O1 | C2 | C1 | H1 | 170.8° | 174.9° |
| O1 | C2 | H2 | H3 | 118.5° | 120.0° |
| O6 | C20 | C21 | O7 | 0.3° | 65.0° |
| O6 | C20 | C21 | H38 | 120.5° | 120.1° |
| O6 | C20 | C21 | H39 | 120.6° | 120.0° |
| O6 | C20 | C21 | C22 | 123.6° | 175.0° |
| O6 | C20 | H38 | H39 | 118.3° | 120.0° |
| O6 | C20 | C21 | H40 | 119.9° | 55.1° |
| O10 | C1 | C2 | H1 | 119.0° | 120.0° |
| C1 | O10 | C29 | O11 | 107.0° | 0.0° |
| C1 | O10 | C29 | C30 | 72.0° | 180.0° |
| O10 | C1 | C2 | H2 | 172.3° | 55.0° |
| O10 | C1 | C2 | H3 | 68.6° | 175.0° |
| O10 | C1 | C19 | H35 | 143.5° | 175.0° |
| O10 | C1 | C19 | H36 | 23.6° | 55.0° |
| C29 | O10 | C1 | C2 | 37.2° | 150.0° |
| O10 | C29 | O11 | C30 | 178.9° | 180.0° |
| O10 | C29 | C30 | C31 | 175.6° | 180.0° |
| C29 | O10 | C1 | H1 | 81.4° | 30.0° |
| O10 | C29 | C30 | H59 | 63.6° | 60.0° |
| O10 | C29 | C30 | H60 | 54.7° | 60.0° |
| C3 | C4 | C5 | H4 | 120.7° | 120.0° |
| C3 | C4 | C5 | H5 | 120.7° | 120.0° |
| C3 | C4 | C5 | C6 | 163.0° | 180.0° |
| C3 | C4 | H4 | H5 | 117.8° | 120.0° |
| C3 | C4 | C5 | H6 | 76.4° | 60.0° |
| C3 | C4 | C5 | H7 | 42.4° | 60.0° |
| C1 | C2 | H2 | H3 | 118.5° | 120.0° |
| C2 | C1 | C19 | H35 | 18.7° | 65.0° |
| C2 | C1 | C19 | H36 | 101.2° | 175.0° |
| C13 | C12 | C11 | H20 | 120.8° | 120.0° |
| C13 | C12 | C11 | H21 | 120.7° | 120.0° |
| C13 | C12 | C11 | C10 | 84.0° | 180.0° |
| C13 | C12 | C11 | H18 | 155.3° | 60.0° |
| C13 | C12 | C11 | H19 | 36.7° | 60.0° |
| C13 | C12 | H20 | H21 | 117.7° | 119.9° |
| C12 | C13 | H22 | H23 | 117.5° | 120.0° |
| C12 | C13 | C14 | H24 | 60.2° | 60.0° |
| C12 | C13 | C14 | H25 | 58.1° | 60.0° |
| C4 | C5 | C6 | H6 | 120.6° | 119.9° |
| C4 | C5 | C6 | H7 | 120.6° | 120.0° |
| C4 | C5 | C6 | C7 | 136.2° | NaN° |
| C5 | C4 | H4 | H5 | 117.8° | 120.0° |
| C4 | C5 | H6 | H7 | 118.1° | 120.0° |
| C4 | C5 | C6 | H8 | 15.2° | 60.1° |
| C4 | C5 | C6 | H9 | 102.7° | 60.0° |
| C5 | C6 | C7 | C8 | 107.8° | 180.0° |
| C5 | C6 | C7 | H8 | 121.0° | 119.9° |
| C5 | C6 | C7 | H9 | 121.1° | 120.0° |
| C6 | C5 | C4 | H4 | 42.3° | 60.1° |
| C6 | C5 | C4 | H5 | 76.3° | 60.0° |
| C6 | C5 | H6 | H7 | 118.2° | 120.0° |
| C5 | C6 | H8 | H9 | 116.8° | 120.1° |
| C5 | C6 | C7 | H10 | 13.2° | 60.1° |
| C5 | C6 | C7 | H11 | 131.3° | 59.9° |
| O11 | C29 | C30 | C31 | 3.4° | 0.0° |
| O11 | C29 | C30 | H59 | 117.5° | 120.0° |
| O11 | C29 | C30 | H60 | 124.3° | 120.0° |
| C8 | C7 | C6 | H10 | 121.0° | 120.0° |
| C8 | C7 | C6 | H11 | 120.9° | 120.0° |
| C7 | C8 | C9 | H12 | 121.0° | 120.0° |
| C7 | C8 | C9 | H13 | 121.0° | 120.0° |
| C7 | C8 | C9 | C10 | 153.9° | 180.0° |
| C8 | C7 | C6 | H8 | 13.2° | 60.0° |
| C8 | C7 | C6 | H9 | 131.2° | 60.0° |
| C8 | C7 | H10 | H11 | 117.0° | 120.0° |
| C7 | C8 | H12 | H13 | 117.0° | 119.9° |
| C7 | C8 | C9 | H14 | 85.1° | 59.9° |
| C7 | C8 | C9 | H15 | 33.0° | 60.0° |
| C6 | C7 | C8 | C9 | 76.3° | 180.0° |
| C7 | C6 | C5 | H6 | 103.2° | 60.1° |
| C7 | C6 | C5 | H7 | 15.6° | 60.0° |
| C7 | C6 | H8 | H9 | 116.8° | 120.0° |
| C6 | C7 | H10 | H11 | 117.0° | 120.0° |
| C6 | C7 | C8 | H12 | 162.8° | 60.0° |
| C6 | C7 | C8 | H13 | 44.7° | 60.0° |
| C8 | C9 | C10 | H14 | 121.0° | 120.0° |
| C8 | C9 | C10 | H15 | 121.0° | 120.0° |
| C8 | C9 | C10 | C11 | 85.8° | 180.0° |
| C9 | C8 | C7 | H10 | 162.8° | 60.0° |
| C9 | C8 | C7 | H11 | 44.7° | 60.0° |
| C9 | C8 | H12 | H13 | 116.9° | 120.0° |
| C8 | C9 | H14 | H15 | 117.1° | 119.9° |
| C8 | C9 | C10 | H16 | 153.2° | 60.0° |
| C8 | C9 | C10 | H17 | 35.1° | 60.0° |
| O7 | C21 | C20 | C22 | 123.3° | 120.0° |
| O7 | C21 | C20 | H40 | 120.1° | 120.1° |
| O7 | C21 | C22 | H40 | 118.2° | 120.0° |
| O7 | C21 | C22 | O8 | 157.4° | 65.0° |
| O7 | C21 | C20 | H38 | 120.8° | 174.9° |
| O7 | C21 | C20 | H39 | 120.3° | 55.0° |
| O7 | C21 | C22 | H42 | 83.2° | 175.0° |
| O7 | C21 | C22 | H43 | 38.1° | 55.1° |
| C29 | C30 | C31 | H59 | 120.9° | 120.0° |
| C29 | C30 | C31 | H60 | 120.9° | 120.0° |
| C29 | C30 | C31 | C32 | 133.4° | 180.0° |
| C29 | C30 | H59 | H60 | 117.3° | 120.0° |
| C29 | C30 | C31 | H61 | 106.3° | 60.0° |
| C29 | C30 | C31 | H62 | 13.1° | 60.0° |
| C12 | C11 | C10 | C9 | 103.1° | 180.0° |
| C12 | C11 | C10 | H18 | 120.7° | 120.0° |
| C12 | C11 | C10 | H19 | 120.7° | 120.0° |
| C12 | C11 | C10 | H16 | 135.9° | 60.0° |
| C12 | C11 | C10 | H17 | 17.8° | 60.0° |
| C12 | C11 | H18 | H19 | 117.9° | 120.0° |
| C11 | C12 | H20 | H21 | 117.7° | 120.0° |
| C11 | C12 | C13 | H22 | 100.1° | 60.0° |
| C11 | C12 | C13 | H23 | 18.3° | 60.0° |
| C20 | C21 | C22 | H40 | 116.4° | 120.0° |
| C20 | C21 | C22 | O8 | 77.3° | 175.0° |
| C21 | C20 | H38 | H39 | 118.3° | 120.0° |
| C20 | C21 | O7 | H41 | 180.0° | 59.9° |
| C20 | C21 | C22 | H42 | 42.1° | 54.9° |
| C20 | C21 | C22 | H43 | 163.4° | 65.0° |
| C21 | C22 | O8 | H42 | 119.4° | 120.0° |
| C21 | C22 | O8 | H43 | 119.4° | 120.0° |
| C21 | C22 | O8 | C23 | 95.9° | 180.0° |
| C22 | C21 | C20 | H38 | 115.9° | 55.0° |
| C22 | C21 | C20 | H39 | 3.1° | 65.0° |
| C22 | C21 | O7 | H41 | 57.3° | 60.1° |
| C21 | C22 | H42 | H43 | 121.9° | 119.9° |
| C9 | C10 | C11 | H16 | 121.0° | 120.0° |
| C9 | C10 | C11 | H17 | 121.0° | 120.0° |
| C10 | C9 | C8 | H12 | 33.0° | 60.0° |
| C10 | C9 | C8 | H13 | 85.1° | 60.0° |
| C10 | C9 | H14 | H15 | 117.1° | 120.0° |
| C9 | C10 | H16 | H17 | 117.1° | 120.0° |
| C9 | C10 | C11 | H18 | 136.2° | 60.1° |
| C9 | C10 | C11 | H19 | 17.6° | 60.0° |
| C11 | C10 | C9 | H14 | 35.1° | 60.0° |
| C11 | C10 | C9 | H15 | 153.2° | 59.9° |
| C11 | C10 | H16 | H17 | 117.0° | 120.0° |
| C10 | C11 | H18 | H19 | 117.9° | 120.0° |
| C10 | C11 | C12 | H20 | 36.7° | 60.0° |
| C10 | C11 | C12 | H21 | 155.2° | 60.0° |
| C30 | C31 | C32 | H61 | 120.3° | 120.0° |
| C30 | C31 | C32 | H62 | 120.3° | 120.0° |
| C30 | C31 | C32 | C33 | 175.4° | 180.0° |
| C31 | C30 | H59 | H60 | 117.3° | 120.0° |
| C30 | C31 | H61 | H62 | 119.0° | 120.0° |
| C30 | C31 | C32 | H63 | 54.6° | 60.0° |
| C30 | C31 | C32 | H64 | 63.7° | 60.0° |
| C22 | O8 | C23 | O9 | 112.0° | 0.0° |
| C22 | O8 | C23 | C24 | 68.6° | 180.0° |
| O8 | C22 | C21 | H40 | 39.2° | 55.0° |
| O8 | C22 | H42 | H43 | 121.9° | 120.1° |
| C31 | C32 | C33 | H63 | 120.8° | 120.0° |
| C31 | C32 | C33 | H64 | 120.8° | 120.0° |
| C31 | C32 | C33 | C34 | 163.5° | 180.0° |
| C32 | C31 | C30 | H59 | 12.5° | 60.0° |
| C32 | C31 | C30 | H60 | 105.7° | 60.0° |
| C32 | C31 | H61 | H62 | 119.1° | 120.0° |
| C31 | C32 | H63 | H64 | 117.4° | 119.9° |
| C31 | C32 | C33 | H65 | 42.7° | 60.0° |
| C31 | C32 | C33 | H66 | 75.7° | 60.0° |
| C32 | C33 | C34 | H65 | 120.8° | 120.0° |
| C32 | C33 | C34 | H66 | 120.8° | 120.0° |
| C32 | C33 | C34 | C35 | 151.2° | 180.0° |
| C33 | C32 | C31 | H61 | 64.3° | 60.0° |
| C33 | C32 | C31 | H62 | 55.1° | 60.0° |
| C33 | C32 | H63 | H64 | 117.4° | 120.0° |
| C32 | C33 | H65 | H66 | 117.6° | 120.0° |
| C32 | C33 | C34 | H67 | 88.1° | 60.0° |
| C32 | C33 | C34 | H68 | 30.5° | 60.0° |
| O8 | C23 | O9 | C24 | 179.3° | 180.0° |
| O8 | C23 | C24 | C25 | 36.2° | 80.0° |
| O8 | C23 | C24 | N1 | 157.6° | 160.0° |
| C23 | O8 | C22 | H42 | 144.8° | 60.0° |
| C23 | O8 | C22 | H43 | 23.5° | 60.0° |
| O8 | C23 | C24 | H44 | 84.1° | 40.0° |
| N2 | C28 | C27 | H54 | 119.9° | 120.0° |
| N2 | C28 | C27 | H55 | 119.9° | 120.1° |
| N2 | C28 | C27 | C26 | 168.7° | 180.0° |
| N2 | C28 | C27 | H52 | 70.8° | 60.0° |
| N2 | C28 | C27 | H53 | 48.2° | 59.9° |
| N2 | C28 | H54 | H55 | 120.4° | 120.1° |
| C28 | N2 | H56 | H57 | 120.0° | 124.0° |
| C28 | C27 | C26 | C25 | 65.1° | 180.0° |
| C28 | C27 | C26 | H52 | 120.5° | 120.0° |
| C28 | C27 | C26 | H53 | 120.5° | 120.0° |
| C28 | C27 | C26 | H50 | 55.5° | 60.0° |
| C28 | C27 | C26 | H51 | 174.4° | 60.0° |
| C28 | C27 | H52 | H53 | 118.5° | 120.0° |
| C27 | C28 | H54 | H55 | 120.3° | 120.0° |
| C27 | C28 | N2 | H56 | 180.0° | 56.0° |
| C27 | C28 | N2 | H57 | 60.0° | 180.0° |
| C33 | C34 | C35 | H67 | 120.7° | 120.0° |
| C33 | C34 | C35 | H68 | 120.7° | 120.0° |
| C33 | C34 | C35 | C36 | 179.3° | 180.0° |
| C34 | C33 | C32 | H63 | 75.7° | 60.0° |
| C34 | C33 | C32 | H64 | 42.7° | 60.0° |
| C34 | C33 | H65 | H66 | 117.5° | 120.0° |
| C33 | C34 | H67 | H68 | 117.9° | 120.0° |
| C33 | C34 | C35 | H69 | 59.8° | 60.0° |
| C33 | C34 | C35 | H70 | 58.4° | 60.0° |
| O9 | C23 | C24 | C25 | 143.2° | 100.0° |
| O9 | C23 | C24 | N1 | 21.8° | 20.0° |
| O9 | C23 | C24 | H44 | 96.5° | 140.0° |
| C23 | C24 | C25 | N1 | 119.9° | 120.0° |
| C23 | C24 | C25 | H44 | 120.4° | 120.0° |
| C23 | C24 | N1 | H44 | 118.2° | 120.0° |
| C23 | C24 | C25 | C26 | 176.7° | 175.0° |
| C23 | C24 | N1 | H45 | 180.0° | 60.1° |
| C23 | C24 | N1 | H46 | 60.0° | 176.1° |
| C23 | C24 | C25 | H48 | 62.6° | 65.0° |
| C23 | C24 | C25 | H49 | 55.9° | 55.0° |
| C25 | C24 | N1 | H44 | 119.3° | 120.0° |
| C24 | C25 | C26 | H48 | 120.8° | 120.0° |
| C24 | C25 | C26 | H49 | 120.8° | 120.1° |
| C24 | C25 | C26 | C27 | 133.4° | 180.0° |
| C25 | C24 | N1 | H45 | 57.5° | 60.0° |
| C25 | C24 | N1 | H46 | 177.6° | 63.9° |
| C24 | C25 | H48 | H49 | 117.7° | 120.0° |
| C24 | C25 | C26 | H50 | 12.9° | 60.0° |
| C24 | C25 | C26 | H51 | 106.1° | 59.9° |
| N1 | C24 | C25 | C26 | 63.4° | 65.0° |
| C24 | N1 | H45 | H46 | 120.0° | 123.9° |
| N1 | C24 | C25 | H48 | 57.3° | 55.0° |
| N1 | C24 | C25 | H49 | 175.8° | 175.0° |
| C34 | C35 | C36 | H69 | 120.9° | 120.0° |
| C34 | C35 | C36 | H70 | 120.9° | 120.0° |
| C34 | C35 | C36 | C37 | 173.3° | 180.0° |
| C35 | C34 | C33 | H65 | 30.4° | 60.0° |
| C35 | C34 | C33 | H66 | 88.0° | 60.0° |
| C35 | C34 | H67 | H68 | 117.9° | 120.0° |
| C34 | C35 | H69 | H70 | 117.2° | 120.0° |
| C34 | C35 | C36 | H71 | 53.0° | 60.0° |
| C34 | C35 | C36 | H72 | 66.4° | 60.0° |
| C25 | C26 | C27 | H50 | 120.5° | 120.0° |
| C25 | C26 | C27 | H51 | 120.5° | 120.0° |
| C26 | C25 | C24 | H44 | 56.2° | 55.0° |
| C26 | C25 | H48 | H49 | 117.6° | 120.0° |
| C25 | C26 | H50 | H51 | 118.3° | 120.0° |
| C25 | C26 | C27 | H52 | 55.4° | 60.0° |
| C25 | C26 | C27 | H53 | 174.4° | 60.0° |
| C27 | C26 | C25 | H48 | 105.8° | 60.0° |
| C27 | C26 | C25 | H49 | 12.6° | 60.0° |
| C27 | C26 | H50 | H51 | 118.3° | 120.0° |
| C26 | C27 | H52 | H53 | 118.4° | 120.0° |
| C26 | C27 | C28 | H54 | 48.8° | 60.0° |
| C26 | C27 | C28 | H55 | 71.4° | 60.0° |
| C35 | C36 | C37 | H71 | 120.3° | 120.0° |
| C35 | C36 | C37 | H72 | 120.3° | 120.0° |
| C35 | C36 | C37 | C38 | 149.7° | 125.0° |
| C36 | C35 | C34 | H67 | 58.6° | 60.0° |
| C36 | C35 | C34 | H68 | 60.0° | 60.0° |
| C36 | C35 | H69 | H70 | 117.2° | 120.0° |
| C35 | C36 | H71 | H72 | 119.2° | 120.0° |
| C35 | C36 | C37 | H73 | 30.4° | 55.0° |
| C36 | C37 | C38 | H73 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 164.4° | 180.0° |
| C37 | C36 | C35 | H69 | 65.8° | 60.0° |
| C37 | C36 | C35 | H70 | 52.4° | 60.0° |
| C37 | C36 | H71 | H72 | 119.2° | 120.0° |
| C36 | C37 | C38 | H74 | 15.6° | 0.0° |
| C37 | C38 | C39 | H74 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 135.9° | 125.0° |
| C38 | C37 | C36 | H71 | 29.4° | 5.0° |
| C38 | C37 | C36 | H72 | 90.0° | 115.0° |
| C37 | C38 | C39 | H75 | 14.8° | 115.0° |
| C37 | C38 | C39 | H76 | 103.1° | 5.0° |
| C38 | C39 | C40 | H75 | 121.1° | 120.0° |
| C38 | C39 | C40 | H76 | 121.0° | 120.0° |
| C38 | C39 | C40 | C41 | 172.1° | 180.0° |
| C39 | C38 | C37 | H73 | 15.6° | 0.0° |
| C38 | C39 | H75 | H76 | 116.7° | 120.0° |
| C38 | C39 | C40 | H77 | 67.4° | 60.0° |
| C38 | C39 | C40 | H78 | 51.6° | 59.9° |
| C39 | C40 | C41 | H77 | 120.5° | 120.0° |
| C39 | C40 | C41 | H78 | 120.5° | 120.0° |
| C39 | C40 | C41 | C42 | 153.5° | 179.9° |
| C40 | C39 | C38 | H74 | 44.1° | 55.0° |
| C40 | C39 | H75 | H76 | 116.7° | 120.0° |
| C39 | C40 | H77 | H78 | 118.3° | 120.0° |
| C39 | C40 | C41 | H79 | 32.5° | 60.0° |
| C39 | C40 | C41 | H80 | 85.5° | 60.0° |
| C40 | C41 | C42 | H79 | 121.0° | 120.0° |
| C40 | C41 | C42 | H80 | 121.0° | 120.0° |
| C40 | C41 | C42 | C43 | 153.6° | 180.0° |
| C41 | C40 | C39 | H75 | 51.0° | 60.0° |
| C41 | C40 | C39 | H76 | 66.9° | 60.0° |
| C41 | C40 | H77 | H78 | 118.4° | 120.0° |
| C40 | C41 | H79 | H80 | 116.8° | 120.0° |
| C40 | C41 | C42 | H81 | 85.6° | 60.0° |
| C40 | C41 | C42 | H82 | 32.9° | 60.0° |
| C41 | C42 | C43 | H81 | 120.8° | 120.1° |
| C41 | C42 | C43 | H82 | 120.8° | 119.9° |
| C41 | C42 | C43 | C44 | 111.8° | 180.0° |
| C42 | C41 | C40 | H77 | 86.0° | 60.0° |
| C42 | C41 | C40 | H78 | 33.0° | 60.0° |
| C42 | C41 | H79 | H80 | 116.9° | 120.0° |
| C41 | C42 | H81 | H82 | 117.6° | 119.9° |
| C41 | C42 | C43 | H83 | 127.3° | 60.0° |
| C41 | C42 | C43 | H47 | 9.1° | 60.0° |
| C42 | C43 | C44 | H83 | 120.9° | 120.0° |
| C42 | C43 | C44 | H47 | 120.9° | 120.0° |
| C42 | C43 | C44 | C45 | 162.7° | 180.0° |
| C43 | C42 | C41 | H79 | 32.6° | 60.0° |
| C43 | C42 | C41 | H80 | 85.4° | 60.0° |
| C43 | C42 | H81 | H82 | 117.6° | 120.0° |
| C42 | C43 | H83 | H47 | 117.2° | 119.9° |
| C42 | C43 | C44 | H84 | 41.8° | 60.0° |
| C42 | C43 | C44 | H58 | 76.4° | 60.0° |
| C43 | C44 | C45 | H84 | 120.9° | 120.0° |
| C43 | C44 | C45 | H58 | 120.9° | 120.0° |
| C43 | C44 | C45 | C46 | 144.3° | 180.0° |
| C44 | C43 | C42 | H81 | 9.0° | 60.0° |
| C44 | C43 | C42 | H82 | 127.4° | 60.0° |
| C44 | C43 | H83 | H47 | 117.2° | 120.0° |
| C43 | C44 | H84 | H58 | 117.1° | 119.9° |
| C43 | C44 | C45 | H85 | 23.4° | 60.0° |
| C43 | C44 | C45 | H86 | 94.8° | 60.0° |
| C44 | C45 | C46 | H85 | 120.9° | 120.0° |
| C44 | C45 | C46 | H86 | 120.9° | 120.0° |
| C45 | C44 | C43 | H83 | 76.5° | 60.0° |
| C45 | C44 | H84 | H58 | 117.2° | 120.0° |
| C44 | C45 | H85 | H86 | 117.2° | 120.0° |
| C44 | C45 | C46 | H87 | 180.0° | 60.0° |
| C44 | C45 | C46 | H88 | 60.0° | 60.0° |
| C44 | C45 | C46 | H89 | 60.0° | 180.0° |
| C45 | C44 | C43 | H47 | 41.8° | 60.0° |
| C46 | C45 | C44 | H84 | 94.8° | 60.0° |
| C46 | C45 | H85 | H86 | 117.2° | 120.0° |
| C45 | C46 | H87 | H88 | 120.0° | 120.0° |
| C45 | C46 | H87 | H89 | 120.0° | 120.0° |
| C45 | C46 | H88 | H89 | 120.0° | 120.1° |
| C46 | C45 | C44 | H58 | 23.4° | 60.0° |
| H1 | C1 | C2 | H2 | 68.7° | 65.0° |
| H1 | C1 | C2 | H3 | 50.4° | 55.0° |
| H1 | C1 | C19 | H35 | 99.4° | 55.0° |
| H1 | C1 | C19 | H36 | 140.7° | 65.0° |
| H4 | C4 | C5 | H6 | 162.9° | 180.0° |
| H4 | C4 | C5 | H7 | 78.3° | 60.0° |
| H5 | C4 | C5 | H6 | 44.3° | 60.0° |
| H5 | C4 | C5 | H7 | 163.1° | 180.0° |
| H6 | C5 | C6 | H8 | 135.8° | 180.0° |
| H6 | C5 | C6 | H9 | 17.8° | 60.0° |
| H7 | C5 | C6 | H8 | 105.4° | 60.0° |
| H7 | C5 | C6 | H9 | 136.6° | 180.0° |
| H8 | C6 | C7 | H10 | 134.2° | NaN° |
| H8 | C6 | C7 | H11 | 107.7° | 60.0° |
| H9 | C6 | C7 | H10 | 107.9° | 60.0° |
| H9 | C6 | C7 | H11 | 10.2° | 180.0° |
| H10 | C7 | C8 | H12 | 41.8° | 180.0° |
| H10 | C7 | C8 | H13 | 76.3° | 60.0° |
| H11 | C7 | C8 | H12 | 76.3° | 60.1° |
| H11 | C7 | C8 | H13 | 165.6° | 179.9° |
| H12 | C8 | C9 | H14 | 153.9° | 179.9° |
| H12 | C8 | C9 | H15 | 88.0° | 60.0° |
| H13 | C8 | C9 | H14 | 35.9° | 60.0° |
| H13 | C8 | C9 | H15 | 153.9° | 179.9° |
| H14 | C9 | C10 | H16 | 85.8° | 180.0° |
| H14 | C9 | C10 | H17 | 156.1° | 60.1° |
| H15 | C9 | C10 | H16 | 32.3° | 60.0° |
| H15 | C9 | C10 | H17 | 85.9° | 180.0° |
| H16 | C10 | C11 | H18 | 15.3° | 180.0° |
| H16 | C10 | C11 | H19 | 103.4° | 60.0° |
| H17 | C10 | C11 | H18 | 102.8° | 60.0° |
| H17 | C10 | C11 | H19 | 138.5° | 180.0° |
| H18 | C11 | C12 | H20 | 84.0° | 179.9° |
| H18 | C11 | C12 | H21 | 34.6° | 60.0° |
| H19 | C11 | C12 | H20 | 157.4° | 60.0° |
| H19 | C11 | C12 | H21 | 84.1° | 180.0° |
| H20 | C12 | C13 | H22 | 139.2° | 179.9° |
| H20 | C12 | C13 | H23 | 102.4° | 60.0° |
| H21 | C12 | C13 | H22 | 20.7° | 60.1° |
| H21 | C12 | C13 | H23 | 139.0° | 179.9° |
| H22 | C13 | C14 | H24 | 178.9° | 180.0° |
| H22 | C13 | C14 | H25 | 62.8° | 60.0° |
| H23 | C13 | C14 | H24 | 60.6° | 60.0° |
| H23 | C13 | C14 | H25 | 178.9° | 179.9° |
| H24 | C14 | C15 | H26 | 69.2° | 179.9° |
| H24 | C14 | C15 | H27 | 172.9° | 60.0° |
| H25 | C14 | C15 | H26 | 49.2° | 60.1° |
| H25 | C14 | C15 | H27 | 68.8° | 180.0° |
| H26 | C15 | C16 | H28 | 115.5° | 180.0° |
| H26 | C15 | C16 | H29 | 126.6° | 60.0° |
| H27 | C15 | C16 | H28 | 2.4° | 59.9° |
| H27 | C15 | C16 | H29 | 115.5° | 180.0° |
| H28 | C16 | C17 | H30 | 99.3° | NaN° |
| H28 | C16 | C17 | H31 | 142.5° | 60.0° |
| H29 | C16 | C17 | H30 | 18.5° | 60.0° |
| H29 | C16 | C17 | H31 | 99.7° | 180.0° |
| H30 | C17 | C18 | H32 | 59.1° | 180.0° |
| H30 | C17 | C18 | H33 | 60.9° | 59.9° |
| H30 | C17 | C18 | H34 | 179.1° | 60.0° |
| H31 | C17 | C18 | H32 | 59.1° | 60.0° |
| H31 | C17 | C18 | H33 | 179.1° | 180.0° |
| H31 | C17 | C18 | H34 | 60.9° | 60.0° |
| H32 | C18 | H33 | H34 | 120.0° | 119.9° |
| H38 | C20 | C21 | H40 | 0.7° | 65.0° |
| H39 | C20 | C21 | H40 | 119.6° | 175.0° |
| H40 | C21 | O7 | H41 | 60.4° | 180.0° |
| H40 | C21 | C22 | H42 | 158.5° | 65.0° |
| H40 | C21 | C22 | H43 | 80.2° | 175.1° |
| H44 | C24 | N1 | H45 | 61.8° | 180.0° |
| H44 | C24 | N1 | H46 | 58.2° | 56.1° |
| H44 | C24 | C25 | H48 | 177.0° | 175.0° |
| H44 | C24 | C25 | H49 | 64.5° | 65.0° |
| H48 | C25 | C26 | H50 | 133.7° | 180.0° |
| H48 | C25 | C26 | H51 | 14.7° | 60.0° |
| H49 | C25 | C26 | H50 | 107.9° | 60.0° |
| H49 | C25 | C26 | H51 | 133.1° | NaN° |
| H50 | C26 | C27 | H52 | 176.0° | 180.0° |
| H50 | C26 | C27 | H53 | 65.1° | 60.0° |
| H51 | C26 | C27 | H52 | 65.1° | 60.0° |
| H51 | C26 | C27 | H53 | 53.8° | 180.0° |
| H52 | C27 | C28 | H54 | 169.3° | 180.0° |
| H52 | C27 | C28 | H55 | 49.1° | 60.0° |
| H53 | C27 | C28 | H54 | 71.7° | 60.0° |
| H53 | C27 | C28 | H55 | 168.1° | 180.0° |
| H54 | C28 | N2 | H56 | 60.1° | 63.9° |
| H54 | C28 | N2 | H57 | 59.9° | 60.0° |
| H55 | C28 | N2 | H56 | 60.1° | 176.1° |
| H55 | C28 | N2 | H57 | 179.9° | 60.0° |
| H59 | C30 | C31 | H61 | 132.9° | 180.0° |
| H59 | C30 | C31 | H62 | 107.8° | 60.0° |
| H60 | C30 | C31 | H61 | 14.6° | 60.0° |
| H60 | C30 | C31 | H62 | 134.0° | 180.0° |
| H61 | C31 | C32 | H63 | 174.9° | 179.9° |
| H61 | C31 | C32 | H64 | 56.6° | 60.0° |
| H62 | C31 | C32 | H63 | 65.7° | 60.0° |
| H62 | C31 | C32 | H64 | 175.9° | 180.0° |
| H63 | C32 | C33 | H65 | 163.5° | 180.0° |
| H63 | C32 | C33 | H66 | 45.1° | 60.0° |
| H64 | C32 | C33 | H65 | 78.1° | 60.0° |
| H64 | C32 | C33 | H66 | 163.5° | 180.0° |
| H65 | C33 | C34 | H67 | 151.1° | 180.0° |
| H65 | C33 | C34 | H68 | 90.3° | 60.0° |
| H66 | C33 | C34 | H67 | 32.7° | 60.0° |
| H66 | C33 | C34 | H68 | 151.3° | 180.0° |
| H67 | C34 | C35 | H69 | 179.6° | NaN° |
| H67 | C34 | C35 | H70 | 62.2° | 60.0° |
| H68 | C34 | C35 | H69 | 60.9° | 60.0° |
| H68 | C34 | C35 | H70 | 179.1° | NaN° |
| H69 | C35 | C36 | H71 | 173.9° | 180.0° |
| H69 | C35 | C36 | H72 | 54.5° | 60.0° |
| H70 | C35 | C36 | H71 | 67.9° | 60.0° |
| H70 | C35 | C36 | H72 | 172.7° | 180.0° |
| H71 | C36 | C37 | H73 | 150.6° | 175.0° |
| H72 | C36 | C37 | H73 | 89.9° | 65.0° |
| H73 | C37 | C38 | H74 | 164.4° | 180.0° |
| H74 | C38 | C39 | H75 | 165.2° | 64.9° |
| H74 | C38 | C39 | H76 | 76.9° | 175.0° |
| H75 | C39 | C40 | H77 | 171.6° | 180.0° |
| H75 | C39 | C40 | H78 | 69.5° | 60.0° |
| H76 | C39 | C40 | H77 | 53.7° | 60.0° |
| H76 | C39 | C40 | H78 | 172.6° | 180.0° |
| H77 | C40 | C41 | H79 | 153.0° | 180.0° |
| H77 | C40 | C41 | H80 | 35.0° | 60.0° |
| H78 | C40 | C41 | H79 | 88.0° | 60.0° |
| H78 | C40 | C41 | H80 | 154.0° | 180.0° |
| H79 | C41 | C42 | H81 | 153.4° | 180.0° |
| H79 | C41 | C42 | H82 | 88.1° | 60.0° |
| H80 | C41 | C42 | H81 | 35.4° | 60.0° |
| H80 | C41 | C42 | H82 | 153.9° | 180.0° |
| H81 | C42 | C43 | H83 | 111.9° | 180.0° |
| H81 | C42 | C43 | H47 | 129.9° | 60.1° |
| H82 | C42 | C43 | H83 | 6.6° | 60.0° |
| H82 | C42 | C43 | H47 | 111.7° | 179.9° |
| H83 | C43 | C44 | H84 | 162.6° | 180.0° |
| H83 | C43 | C44 | H58 | 44.4° | 60.0° |
| H84 | C44 | C45 | H85 | 144.3° | 180.0° |
| H84 | C44 | C45 | H86 | 26.1° | 60.0° |
| H84 | C44 | C43 | H47 | 79.2° | 60.0° |
| H85 | C45 | C46 | H87 | 59.1° | 180.0° |
| H85 | C45 | C46 | H88 | 179.1° | 60.1° |
| H85 | C45 | C46 | H89 | 60.9° | 60.0° |
| H85 | C45 | C44 | H58 | 97.5° | 60.0° |
| H86 | C45 | C46 | H87 | 59.1° | 60.0° |
| H86 | C45 | C46 | H88 | 60.9° | 179.9° |
| H86 | C45 | C46 | H89 | 179.1° | 60.0° |
| H86 | C45 | C44 | H58 | 144.3° | 180.0° |
| H87 | C46 | H88 | H89 | 120.0° | 120.0° |
| H47 | C43 | C44 | H58 | 162.7° | 180.0° |
