A1JUE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| O1 | C2 | sing | 1.36Å | 1.37Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.36Å | Aromatic |
| C2 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C8 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | N1 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.46Å | 1.43Å | Aromatic |
| C41 | O10 | sing | 1.44Å | 1.42Å | |
| C41 | O9 | sing | 1.44Å | 1.43Å | |
| O10 | C21 | sing | 1.35Å | 1.36Å | |
| N1 | C6 | sing | 1.36Å | 1.37Å | Aromatic |
| O9 | C22 | sing | 1.35Å | 1.38Å | |
| C7 | C6 | doub | 1.36Å | 1.36Å | Aromatic |
| C7 | C10 | sing | 1.50Å | 1.49Å | |
| C21 | C22 | doub | 1.40Å | 1.36Å | Aromatic |
| C21 | C19 | sing | 1.39Å | 1.35Å | Aromatic |
| C6 | C12 | sing | 1.52Å | 1.49Å | |
| C20 | C19 | sing | 1.51Å | 1.51Å | |
| C22 | C23 | sing | 1.37Å | 1.36Å | Aromatic |
| C19 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| O4 | C25 | sing | 1.46Å | 1.44Å | |
| O4 | C26 | sing | 1.32Å | 1.34Å | |
| C10 | C11 | sing | 1.52Å | 1.51Å | |
| C18 | C17 | sing | 1.51Å | 1.46Å | |
| C25 | C24 | sing | 1.49Å | 1.55Å | |
| C12 | C26 | sing | 1.50Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | N2 | sing | 1.48Å | 1.46Å | |
| C26 | O5 | doub | 1.21Å | 1.18Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | C15 | doub | 1.41Å | 1.38Å | Aromatic |
| C13 | S1 | sing | 1.82Å | 1.81Å | |
| C16 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | O2 | sing | 1.36Å | 1.39Å | |
| C24 | N3 | sing | 1.49Å | 1.46Å | |
| C11 | N2 | sing | 1.46Å | 1.44Å | |
| C17 | O2 | sing | 1.34Å | 1.36Å | |
| C17 | O3 | doub | 1.21Å | 1.17Å | |
| C15 | C14 | sing | 1.50Å | 1.51Å | |
| N3 | C27 | sing | 1.48Å | 1.46Å | |
| N3 | C39 | sing | 1.50Å | 1.48Å | |
| S1 | C14 | sing | 1.77Å | 1.89Å | |
| C14 | C39 | sing | 1.51Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C39 | C38 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.52Å | 1.53Å | |
| C29 | C30 | sing | 1.50Å | 1.51Å | |
| C28 | N4 | sing | 1.46Å | 1.45Å | |
| C30 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | C37 | sing | 1.51Å | 1.51Å | |
| C38 | N4 | sing | 1.47Å | 1.47Å | |
| C37 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.51Å | 1.51Å | |
| C32 | C34 | doub | 1.39Å | 1.39Å | Aromatic |
| N4 | C40 | sing | 1.47Å | 1.45Å | |
| C36 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
| C36 | O8 | sing | 1.36Å | 1.37Å | |
| C34 | O7 | sing | 1.36Å | 1.39Å | |
| O7 | C35 | sing | 1.43Å | 1.42Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | H26 | sing | 1.01Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.22Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.21Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| O8 | H37 | sing | 0.97Å | 0.95Å | |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C39 | H39 | sing | 1.11Å | 1.10Å | |
| C40 | H41 | sing | 1.09Å | 1.10Å | |
| C40 | H42 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C41 | H44 | sing | 1.09Å | 1.10Å | |
| C41 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | O6 | sing | 1.43Å | 1.44Å | |
| O6 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 116.4° | 117.0° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C2 | C3 | 110.8° | 120.0° |
| O1 | C2 | C9 | 127.5° | 119.9° |
| C2 | C3 | C4 | 121.9° | 120.8° |
| C3 | C2 | C9 | 121.5° | 120.1° |
| C2 | C3 | H4 | 119.0° | 119.6° |
| C3 | C4 | C5 | 117.3° | 120.0° |
| C4 | C3 | H4 | 119.0° | 119.6° |
| C3 | C4 | H5 | 121.4° | 120.0° |
| C2 | C9 | C8 | 117.7° | 119.7° |
| C2 | C9 | H7 | 121.2° | 120.2° |
| C4 | C5 | C8 | 122.0° | 119.3° |
| C4 | C5 | N1 | 129.4° | 133.4° |
| C5 | C4 | H5 | 121.4° | 120.0° |
| C9 | C8 | C5 | 119.6° | 120.2° |
| C9 | C8 | C7 | 134.0° | 134.0° |
| C8 | C9 | H7 | 121.2° | 120.2° |
| C8 | C5 | N1 | 108.6° | 107.3° |
| C5 | C8 | C7 | 106.4° | 105.8° |
| C5 | N1 | C6 | 108.0° | 109.8° |
| C5 | N1 | H6 | 126.0° | 125.0° |
| C8 | C7 | C6 | 106.8° | 107.1° |
| C8 | C7 | C10 | 131.4° | 129.1° |
| O10 | C41 | O9 | 108.9° | 105.5° |
| C41 | O10 | C21 | 104.7° | 106.6° |
| O10 | C41 | H44 | 109.6° | 110.2° |
| O10 | C41 | H43 | 109.6° | 110.3° |
| C41 | O9 | C22 | 104.8° | 106.7° |
| O9 | C41 | H44 | 109.6° | 110.2° |
| O9 | C41 | H43 | 109.6° | 110.2° |
| O10 | C21 | C22 | 111.3° | 109.4° |
| O10 | C21 | C19 | 125.5° | 129.8° |
| N1 | C6 | C7 | 110.2° | 109.9° |
| N1 | C6 | C12 | 123.3° | 130.5° |
| C6 | N1 | H6 | 126.0° | 125.2° |
| O9 | C22 | C21 | 110.0° | 108.8° |
| O9 | C22 | C23 | 126.9° | 130.5° |
| C6 | C7 | C10 | 121.4° | 123.8° |
| C7 | C6 | C12 | 126.5° | 119.5° |
| C7 | C10 | C11 | 109.2° | 111.5° |
| C7 | C10 | H8 | 109.5° | 109.0° |
| C7 | C10 | H9 | 109.5° | 109.1° |
| C22 | C21 | C19 | 122.9° | 120.8° |
| C21 | C22 | C23 | 123.1° | 120.7° |
| C21 | C19 | C20 | 120.2° | 121.1° |
| C21 | C19 | C16 | 115.3° | 117.9° |
| C6 | C12 | C26 | 110.2° | 110.5° |
| C6 | C12 | C13 | 110.3° | 109.6° |
| C6 | C12 | N2 | 105.1° | 103.6° |
| C20 | C19 | C16 | 124.4° | 121.0° |
| C19 | C20 | H19 | 109.5° | 109.4° |
| C19 | C20 | H20 | 109.5° | 109.5° |
| C19 | C20 | H21 | 109.5° | 109.5° |
| C22 | C23 | C24 | 118.7° | 121.7° |
| C22 | C23 | C15 | 116.8° | 119.1° |
| C19 | C16 | C15 | 122.5° | 122.2° |
| C19 | C16 | O2 | 120.4° | 118.9° |
| C25 | O4 | C26 | 122.6° | 124.2° |
| O4 | C25 | C24 | 103.8° | 108.0° |
| O4 | C25 | H24 | 110.9° | 109.7° |
| O4 | C25 | H23 | 110.8° | 109.8° |
| O4 | C26 | C12 | 113.1° | 126.3° |
| O4 | C26 | O5 | 124.3° | 116.9° |
| C10 | C11 | N2 | 110.6° | 113.9° |
| C11 | C10 | H8 | 109.5° | 109.1° |
| C11 | C10 | H9 | 109.6° | 109.1° |
| C10 | C11 | H10 | 109.2° | 108.5° |
| C10 | C11 | H11 | 109.2° | 108.6° |
| C18 | C17 | O2 | 113.8° | 120.1° |
| C18 | C17 | O3 | 125.6° | 119.9° |
| C17 | C18 | H16 | 109.5° | 109.4° |
| C17 | C18 | H17 | 109.5° | 109.5° |
| C17 | C18 | H18 | 109.5° | 109.5° |
| C25 | C24 | C23 | 111.9° | 116.5° |
| C25 | C24 | N3 | 108.2° | 126.8° |
| C25 | C24 | H22 | 107.1° | 79.2° |
| C24 | C25 | H24 | 110.9° | 109.7° |
| C24 | C25 | H23 | 110.9° | 109.8° |
| C26 | C12 | C13 | 108.1° | 112.7° |
| C26 | C12 | N2 | 111.0° | 110.1° |
| C12 | C26 | O5 | 122.5° | 116.8° |
| C13 | C12 | N2 | 112.2° | 110.0° |
| C12 | C13 | S1 | 113.3° | 112.2° |
| C12 | C13 | H13 | 108.5° | 108.9° |
| C12 | C13 | H14 | 108.5° | 108.9° |
| C12 | N2 | C11 | 115.5° | 112.1° |
| C12 | N2 | H26 | 107.9° | 111.0° |
| C24 | C23 | C15 | 124.2° | 119.2° |
| C23 | C24 | N3 | 113.5° | 108.5° |
| C23 | C24 | H22 | 107.6° | 85.6° |
| C23 | C15 | C16 | 119.1° | 119.1° |
| C23 | C15 | C14 | 119.4° | 120.8° |
| C13 | S1 | C14 | 112.7° | 102.4° |
| S1 | C13 | H13 | 108.5° | 108.9° |
| S1 | C13 | H14 | 108.5° | 108.9° |
| C15 | C16 | O2 | 117.0° | 118.9° |
| C16 | C15 | C14 | 121.3° | 120.0° |
| C16 | O2 | C17 | 118.0° | 117.0° |
| C24 | N3 | C27 | 107.5° | 111.6° |
| C24 | N3 | C39 | 116.4° | 112.0° |
| N3 | C24 | H22 | 108.2° | 77.4° |
| N2 | C11 | H10 | 109.2° | 108.6° |
| N2 | C11 | H11 | 109.2° | 108.7° |
| C11 | N2 | H26 | 108.0° | 111.0° |
| O2 | C17 | O3 | 120.7° | 120.0° |
| C15 | C14 | S1 | 109.3° | 121.4° |
| C15 | C14 | C39 | 108.1° | 113.3° |
| C15 | C14 | H15 | 107.2° | 82.7° |
| C27 | N3 | C39 | 115.0° | 107.1° |
| N3 | C27 | C28 | 111.0° | 107.0° |
| N3 | C27 | H46 | 108.6° | 109.9° |
| N3 | C27 | O6 | 113.9° | 109.9° |
| N3 | C39 | C14 | 111.5° | 118.4° |
| N3 | C39 | C38 | 110.3° | 106.4° |
| N3 | C39 | H39 | 107.0° | 104.1° |
| S1 | C14 | C39 | 120.7° | 122.9° |
| S1 | C14 | H15 | 103.7° | 87.2° |
| C14 | C39 | C38 | 114.8° | 112.5° |
| C39 | C14 | H15 | 107.0° | 84.7° |
| C14 | C39 | H39 | 106.4° | 107.9° |
| C27 | C28 | C29 | 109.4° | 110.1° |
| C27 | C28 | N4 | 103.7° | 110.8° |
| C28 | C27 | H46 | 107.5° | 110.0° |
| C27 | C28 | H27 | 108.7° | 107.7° |
| C28 | C27 | O6 | 106.8° | 110.0° |
| C39 | C38 | C37 | 115.4° | 108.5° |
| C39 | C38 | N4 | 106.1° | 108.2° |
| C39 | C38 | H38 | 107.6° | 110.5° |
| C38 | C39 | H39 | 106.3° | 106.7° |
| C28 | C29 | C30 | 115.3° | 112.8° |
| C29 | C28 | N4 | 116.1° | 110.9° |
| C29 | C28 | H27 | 108.9° | 108.5° |
| C28 | C29 | H28 | 108.0° | 108.8° |
| C28 | C29 | H29 | 108.0° | 108.8° |
| C29 | C30 | C31 | 119.8° | 118.4° |
| C29 | C30 | C37 | 120.3° | 122.3° |
| C30 | C29 | H28 | 108.0° | 108.8° |
| C30 | C29 | H29 | 108.0° | 108.8° |
| C28 | N4 | C38 | 111.5° | 111.1° |
| C28 | N4 | C40 | 110.2° | 111.0° |
| N4 | C28 | H27 | 109.9° | 108.8° |
| C31 | C30 | C37 | 119.8° | 119.3° |
| C30 | C31 | C32 | 122.1° | 120.7° |
| C30 | C31 | H30 | 118.9° | 119.7° |
| C30 | C37 | C38 | 120.4° | 120.7° |
| C30 | C37 | C36 | 119.1° | 120.4° |
| C31 | C32 | C33 | 121.6° | 120.0° |
| C31 | C32 | C34 | 117.7° | 119.9° |
| C32 | C31 | H30 | 118.9° | 119.6° |
| C37 | C38 | N4 | 111.0° | 108.9° |
| C38 | C37 | C36 | 120.2° | 118.9° |
| C37 | C38 | H38 | 108.0° | 110.5° |
| C38 | N4 | C40 | 109.7° | 111.0° |
| N4 | C38 | H38 | 108.5° | 110.2° |
| C37 | C36 | C34 | 120.3° | 120.1° |
| C37 | C36 | O8 | 114.6° | 119.9° |
| C33 | C32 | C34 | 120.6° | 120.0° |
| C32 | C33 | H32 | 109.5° | 109.5° |
| C32 | C33 | H33 | 109.5° | 109.5° |
| C32 | C33 | H31 | 109.5° | 109.5° |
| C32 | C34 | C36 | 120.4° | 119.5° |
| C32 | C34 | O7 | 116.8° | 120.2° |
| N4 | C40 | H41 | 109.5° | 109.5° |
| N4 | C40 | H42 | 109.4° | 109.5° |
| N4 | C40 | H40 | 109.5° | 109.5° |
| C34 | C36 | O8 | 124.9° | 120.0° |
| C36 | C34 | O7 | 122.8° | 120.3° |
| C36 | O8 | H37 | 109.5° | 114.0° |
| C34 | O7 | C35 | 116.9° | 117.0° |
| O7 | C35 | H35 | 109.5° | 109.4° |
| O7 | C35 | H36 | 109.5° | 109.5° |
| O7 | C35 | H34 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.4° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.0° |
| H10 | C11 | H11 | 109.5° | 108.4° |
| H13 | C13 | H14 | 109.5° | 108.9° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H16 | C18 | H18 | 109.4° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H19 | C20 | H20 | 109.5° | 109.5° |
| H19 | C20 | H21 | 109.4° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H24 | C25 | H23 | 109.5° | 109.8° |
| H46 | C27 | O6 | 108.8° | 110.0° |
| H28 | C29 | H29 | 109.5° | 108.7° |
| H32 | C33 | H33 | 109.5° | 109.4° |
| H32 | C33 | H31 | 109.4° | 109.5° |
| H33 | C33 | H31 | 109.5° | 109.5° |
| H35 | C35 | H36 | 109.4° | 109.5° |
| H35 | C35 | H34 | 109.5° | 109.4° |
| H36 | C35 | H34 | 109.5° | 109.5° |
| H41 | C40 | H42 | 109.5° | 109.4° |
| H41 | C40 | H40 | 109.4° | 109.5° |
| H42 | C40 | H40 | 109.5° | 109.5° |
| H44 | C41 | H43 | 109.5° | 110.3° |
| C27 | O6 | H12 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 177.0° | 0.3° |
| C1 | O1 | C2 | C9 | 7.5° | 180.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| O1 | C2 | C3 | C9 | 175.8° | 179.7° |
| O1 | C2 | C3 | C4 | 174.6° | 179.6° |
| O1 | C2 | C9 | C8 | 175.7° | 180.0° |
| C2 | O1 | C1 | H2 | 180.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 59.9° |
| C2 | O1 | C1 | H1 | 60.0° | 180.0° |
| O1 | C2 | C3 | H4 | 5.4° | 0.4° |
| O1 | C2 | C9 | H7 | 4.3° | 0.2° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 2.5° | 0.3° |
| C3 | C2 | C9 | C8 | 0.6° | 0.4° |
| C2 | C3 | C4 | H5 | 177.5° | 179.6° |
| C3 | C2 | C9 | H7 | 179.4° | 179.9° |
| C4 | C3 | C2 | C9 | 1.2° | 0.7° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | C8 | 2.0° | 0.4° |
| C3 | C4 | C5 | N1 | 176.8° | 179.1° |
| C2 | C9 | C8 | H7 | 180.0° | 179.8° |
| C2 | C9 | C8 | C5 | 1.1° | 0.4° |
| C2 | C9 | C8 | C7 | 177.6° | 178.5° |
| C9 | C2 | C3 | H4 | 178.8° | 179.3° |
| C4 | C5 | C8 | C9 | 0.3° | 0.8° |
| C4 | C5 | C8 | N1 | 179.0° | 179.6° |
| C4 | C5 | C8 | C7 | 179.2° | 178.4° |
| C4 | C5 | N1 | C6 | 177.7° | 177.0° |
| C5 | C4 | C3 | H4 | 177.5° | 179.7° |
| C4 | C5 | N1 | H6 | 2.3° | 3.0° |
| C9 | C8 | C5 | C7 | 179.0° | 179.2° |
| C9 | C8 | C5 | N1 | 178.7° | 178.9° |
| C9 | C8 | C7 | C6 | 177.2° | 178.9° |
| C9 | C8 | C7 | C10 | 4.4° | 0.0° |
| C8 | C5 | N1 | C6 | 1.2° | 3.4° |
| C5 | C8 | C7 | C6 | 1.6° | 0.1° |
| C5 | C8 | C7 | C10 | 174.3° | 178.9° |
| C8 | C5 | C4 | H5 | 178.0° | 179.7° |
| C8 | C5 | N1 | H6 | 178.8° | 176.6° |
| C5 | C8 | C9 | H7 | 179.0° | 179.4° |
| N1 | C5 | C8 | C7 | 0.2° | 2.0° |
| C5 | N1 | C6 | H6 | 180.0° | 180.0° |
| C5 | N1 | C6 | C7 | 2.3° | 3.6° |
| C5 | N1 | C6 | C12 | 179.2° | 174.0° |
| N1 | C5 | C4 | H5 | 3.2° | 0.8° |
| C8 | C7 | C6 | N1 | 2.4° | 2.2° |
| C8 | C7 | C6 | C10 | 173.6° | 178.9° |
| C8 | C7 | C6 | C12 | 179.1° | 175.6° |
| C8 | C7 | C10 | C11 | 170.8° | 161.5° |
| C7 | C8 | C9 | H7 | 2.4° | 1.7° |
| C8 | C7 | C10 | H8 | 69.2° | 40.9° |
| C8 | C7 | C10 | H9 | 50.9° | 78.0° |
| O10 | C41 | O9 | H44 | 119.9° | 119.0° |
| O10 | C41 | O9 | H43 | 119.9° | 119.0° |
| O10 | C41 | O9 | C22 | 5.5° | 17.0° |
| C41 | O10 | C21 | C22 | 2.2° | 9.4° |
| C41 | O10 | C21 | C19 | 171.6° | 170.2° |
| O10 | C41 | H44 | H43 | 120.3° | 122.0° |
| O9 | C41 | O10 | C21 | 4.8° | 16.1° |
| C41 | O9 | C22 | C21 | 4.1° | 11.7° |
| C41 | O9 | C22 | C23 | 172.6° | 167.7° |
| O9 | C41 | H44 | H43 | 120.2° | 121.9° |
| O10 | C21 | C22 | O9 | 1.2° | 1.4° |
| O10 | C21 | C22 | C19 | 174.0° | 179.7° |
| O10 | C21 | C19 | C20 | 6.2° | 2.7° |
| O10 | C21 | C22 | C23 | 175.6° | 178.0° |
| O10 | C21 | C19 | C16 | 176.1° | 177.3° |
| C21 | O10 | C41 | H44 | 115.2° | 102.8° |
| C21 | O10 | C41 | H43 | 124.6° | 135.1° |
| N1 | C6 | C7 | C12 | 178.5° | 177.9° |
| N1 | C6 | C7 | C10 | 176.0° | 178.9° |
| N1 | C6 | C12 | C26 | 78.4° | 101.9° |
| N1 | C6 | C12 | C13 | 40.8° | 22.9° |
| N1 | C6 | C12 | N2 | 161.9° | 140.2° |
| O9 | C22 | C21 | C23 | 176.8° | 179.5° |
| O9 | C22 | C21 | C19 | 175.3° | 178.9° |
| O9 | C22 | C23 | C24 | 5.1° | 4.7° |
| O9 | C22 | C23 | C15 | 179.6° | 177.9° |
| C22 | O9 | C41 | H44 | 114.5° | 101.9° |
| C22 | O9 | C41 | H43 | 125.4° | 136.1° |
| C6 | C7 | C10 | C11 | 17.3° | 17.2° |
| C7 | C6 | C12 | C26 | 100.0° | 80.7° |
| C7 | C6 | C12 | C13 | 140.8° | 154.5° |
| C7 | C6 | C12 | N2 | 19.7° | 37.2° |
| C7 | C6 | N1 | H6 | 177.7° | 176.4° |
| C6 | C7 | C10 | H8 | 102.6° | 137.7° |
| C6 | C7 | C10 | H9 | 137.3° | 103.3° |
| C10 | C7 | C6 | C12 | 5.5° | 3.3° |
| C7 | C10 | C11 | H8 | 120.0° | 120.5° |
| C7 | C10 | C11 | H9 | 119.9° | 120.5° |
| C7 | C10 | C11 | N2 | 45.3° | 12.3° |
| C7 | C10 | H8 | H9 | 120.1° | 119.0° |
| C7 | C10 | C11 | H10 | 165.5° | 133.4° |
| C7 | C10 | C11 | H11 | 74.8° | 109.0° |
| C22 | C21 | C19 | C20 | 179.3° | 177.7° |
| C22 | C21 | C19 | C16 | 2.9° | 2.3° |
| C21 | C22 | C23 | C24 | 178.6° | 176.0° |
| C21 | C22 | C23 | C15 | 3.3° | 1.4° |
| C21 | C19 | C20 | C16 | 177.6° | 180.0° |
| C19 | C21 | C22 | C23 | 1.6° | 1.6° |
| C21 | C19 | C16 | C15 | 0.5° | 0.1° |
| C21 | C19 | C16 | O2 | 177.4° | 179.9° |
| C21 | C19 | C20 | H19 | 91.1° | 90.0° |
| C21 | C19 | C20 | H20 | 148.9° | 30.0° |
| C21 | C19 | C20 | H21 | 28.9° | 150.0° |
| C6 | C12 | C26 | O4 | 75.2° | 83.9° |
| C6 | C12 | C26 | C13 | 120.5° | 123.0° |
| C6 | C12 | C26 | N2 | 116.0° | 113.8° |
| C6 | C12 | C13 | N2 | 116.8° | 113.2° |
| C6 | C12 | C26 | O5 | 107.5° | 96.1° |
| C6 | C12 | C13 | S1 | 164.9° | 141.1° |
| C6 | C12 | N2 | C11 | 50.4° | 67.0° |
| C12 | C6 | N1 | H6 | 0.8° | 6.0° |
| C6 | C12 | N2 | H26 | 171.3° | 168.3° |
| C6 | C12 | C13 | H13 | 74.5° | 98.3° |
| C6 | C12 | C13 | H14 | 44.4° | 20.3° |
| C20 | C19 | C16 | C15 | 177.1° | 179.9° |
| C20 | C19 | C16 | O2 | 0.3° | 0.1° |
| C19 | C20 | H19 | H20 | 120.0° | 120.0° |
| C19 | C20 | H19 | H21 | 120.0° | 120.0° |
| C19 | C20 | H20 | H21 | 120.0° | 120.0° |
| C22 | C23 | C24 | C25 | 64.9° | 67.2° |
| C22 | C23 | C24 | C15 | 174.9° | 177.4° |
| C22 | C23 | C15 | C16 | 6.5° | 3.7° |
| C22 | C23 | C24 | N3 | 172.3° | 142.0° |
| C22 | C23 | C15 | C14 | 178.6° | 175.2° |
| C22 | C23 | C24 | H22 | 52.6° | 142.8° |
| C19 | C16 | C15 | C23 | 5.3° | 3.1° |
| C19 | C16 | C15 | O2 | 177.0° | 180.0° |
| C19 | C16 | O2 | C17 | 73.7° | 90.0° |
| C19 | C16 | C15 | C14 | 179.8° | 175.8° |
| C16 | C19 | C20 | H19 | 91.3° | 90.0° |
| C16 | C19 | C20 | H20 | 28.7° | 150.0° |
| C16 | C19 | C20 | H21 | 148.7° | 30.0° |
| O4 | C25 | C24 | H24 | 119.1° | 119.6° |
| O4 | C25 | C24 | H23 | 119.1° | 119.7° |
| C25 | O4 | C26 | C12 | 164.6° | 132.0° |
| C25 | O4 | C26 | O5 | 12.7° | 48.1° |
| O4 | C25 | C24 | C23 | 50.0° | 42.4° |
| O4 | C25 | C24 | N3 | 75.8° | 102.2° |
| O4 | C25 | C24 | H22 | 167.7° | 37.0° |
| O4 | C25 | H24 | H23 | 122.6° | 120.8° |
| C26 | O4 | C25 | C24 | 95.5° | 62.3° |
| O4 | C26 | C12 | O5 | 177.3° | 180.0° |
| O4 | C26 | C12 | C13 | 45.4° | 153.1° |
| O4 | C26 | C12 | N2 | 168.8° | 30.0° |
| C26 | O4 | C25 | H24 | 23.6° | 57.3° |
| C26 | O4 | C25 | H23 | 145.4° | 178.0° |
| C10 | C11 | N2 | C12 | 67.7° | 56.6° |
| C10 | C11 | N2 | H10 | 120.2° | 121.0° |
| C10 | C11 | N2 | H11 | 120.2° | 121.2° |
| C11 | C10 | H8 | H9 | 120.1° | 119.0° |
| C10 | C11 | H10 | H11 | 119.4° | 117.7° |
| C10 | C11 | N2 | H26 | 171.4° | 178.6° |
| C18 | C17 | O2 | C16 | 1.7° | 180.0° |
| C18 | C17 | O2 | O3 | 179.9° | 179.9° |
| C17 | C18 | H16 | H17 | 120.0° | 119.9° |
| C17 | C18 | H16 | H18 | 120.0° | 120.0° |
| C17 | C18 | H17 | H18 | 120.0° | 120.1° |
| C25 | C24 | C23 | N3 | 122.8° | 150.7° |
| C25 | C24 | C23 | H22 | 117.5° | 75.6° |
| C25 | C24 | C23 | C15 | 120.2° | 115.3° |
| C25 | C24 | N3 | H22 | 115.8° | 66.0° |
| C25 | C24 | N3 | C27 | 81.0° | 31.1° |
| C25 | C24 | N3 | C39 | 148.4° | 88.9° |
| C24 | C25 | H24 | H23 | 122.7° | 120.7° |
| C26 | C12 | C13 | N2 | 122.7° | 123.3° |
| C26 | C12 | C13 | S1 | 74.6° | 95.4° |
| C26 | C12 | N2 | C11 | 68.7° | 51.2° |
| C26 | C12 | N2 | H26 | 52.2° | 73.5° |
| C26 | C12 | C13 | H13 | 46.0° | 25.3° |
| C26 | C12 | C13 | H14 | 164.9° | 143.9° |
| C13 | C12 | C26 | O5 | 131.9° | 26.9° |
| C12 | C13 | S1 | H13 | 120.5° | 120.7° |
| C12 | C13 | S1 | H14 | 120.5° | 120.7° |
| C13 | C12 | N2 | C11 | 170.2° | 176.0° |
| C12 | C13 | S1 | C14 | 109.4° | 42.6° |
| C13 | C12 | N2 | H26 | 68.9° | 51.2° |
| C12 | C13 | H13 | H14 | 118.3° | 118.7° |
| N2 | C12 | C26 | O5 | 8.5° | 150.1° |
| N2 | C12 | C13 | S1 | 48.2° | 27.9° |
| C12 | N2 | C11 | H26 | 120.9° | 124.7° |
| C12 | N2 | C11 | H10 | 172.1° | 177.7° |
| C12 | N2 | C11 | H11 | 52.4° | 64.5° |
| N2 | C12 | C13 | H13 | 168.7° | 148.5° |
| N2 | C12 | C13 | H14 | 72.4° | 92.9° |
| C24 | C23 | C15 | C16 | 178.5° | 173.8° |
| C23 | C24 | N3 | H22 | 119.4° | 80.9° |
| C24 | C23 | C15 | C14 | 3.6° | 7.4° |
| C23 | C24 | N3 | C27 | 154.2° | 178.0° |
| C23 | C24 | N3 | C39 | 23.5° | 58.0° |
| C23 | C24 | C25 | H24 | 169.1° | 162.0° |
| C23 | C24 | C25 | H23 | 69.1° | 77.2° |
| C23 | C15 | C16 | C14 | 174.8° | 178.9° |
| C23 | C15 | C16 | O2 | 177.7° | 176.9° |
| C15 | C23 | C24 | N3 | 2.6° | 35.4° |
| C23 | C15 | C14 | S1 | 100.6° | 136.8° |
| C23 | C15 | C14 | C39 | 32.6° | 26.4° |
| C23 | C15 | C14 | H15 | 147.6° | 54.6° |
| C15 | C23 | C24 | H22 | 122.3° | 39.8° |
| C13 | S1 | C14 | C15 | 24.2° | 89.2° |
| C13 | S1 | C14 | C39 | 102.1° | 72.4° |
| S1 | C13 | H13 | H14 | 118.3° | 118.6° |
| C13 | S1 | C14 | H15 | 138.3° | 9.4° |
| C15 | C16 | O2 | C17 | 109.3° | 90.0° |
| C16 | C15 | C14 | S1 | 74.3° | 42.1° |
| C16 | C15 | C14 | C39 | 152.6° | 154.7° |
| C16 | C15 | C14 | H15 | 37.5° | 124.3° |
| C16 | O2 | C17 | O3 | 178.4° | 0.1° |
| O2 | C16 | C15 | C14 | 2.9° | 4.2° |
| C24 | N3 | C27 | C39 | 131.5° | 122.9° |
| C24 | N3 | C39 | C14 | 54.9° | 41.2° |
| C24 | N3 | C27 | C28 | 176.1° | 171.8° |
| C24 | N3 | C39 | C38 | 176.3° | 168.9° |
| N3 | C24 | C25 | H24 | 43.3° | 17.4° |
| N3 | C24 | C25 | H23 | 165.1° | 138.2° |
| C24 | N3 | C27 | H46 | 58.1° | 52.4° |
| C24 | N3 | C39 | H39 | 61.0° | 78.6° |
| C24 | N3 | C27 | O6 | 63.4° | 68.8° |
| N2 | C11 | C10 | H8 | 74.6° | 108.2° |
| N2 | C11 | C10 | H9 | 165.3° | 132.8° |
| N2 | C11 | H10 | H11 | 119.5° | 118.0° |
| O2 | C17 | C18 | H16 | 179.9° | 0.0° |
| O2 | C17 | C18 | H17 | 59.9° | 120.0° |
| O2 | C17 | C18 | H18 | 60.2° | 119.9° |
| O3 | C17 | C18 | H16 | 0.0° | 180.0° |
| O3 | C17 | C18 | H17 | 120.0° | 60.1° |
| O3 | C17 | C18 | H18 | 120.0° | 60.0° |
| C15 | C14 | C39 | N3 | 57.0° | 1.7° |
| C15 | C14 | S1 | C39 | 126.2° | 161.6° |
| C15 | C14 | S1 | H15 | 114.1° | 79.8° |
| C15 | C14 | C39 | H15 | 115.2° | 79.7° |
| C15 | C14 | C39 | C38 | 176.6° | 123.1° |
| C15 | C14 | C39 | H39 | 59.3° | 119.5° |
| C27 | N3 | C39 | C14 | 178.1° | 163.8° |
| N3 | C27 | C28 | H46 | 118.7° | 119.3° |
| N3 | C27 | C28 | O6 | 124.6° | 119.4° |
| C27 | N3 | C39 | C38 | 49.3° | 68.4° |
| N3 | C27 | C28 | C29 | 65.2° | 63.5° |
| N3 | C27 | C28 | N4 | 59.2° | 59.5° |
| C27 | N3 | C24 | H22 | 34.8° | 97.1° |
| N3 | C27 | H46 | O6 | 124.5° | 121.2° |
| N3 | C27 | C28 | H27 | 176.0° | 178.4° |
| C27 | N3 | C39 | H39 | 66.0° | 44.0° |
| N3 | C27 | O6 | H12 | 180.0° | 180.0° |
| N3 | C39 | C14 | S1 | 69.7° | 161.3° |
| N3 | C39 | C14 | C38 | 126.4° | 124.8° |
| N3 | C39 | C14 | H39 | 116.3° | 117.8° |
| C39 | N3 | C27 | C28 | 52.5° | 65.3° |
| N3 | C39 | C38 | H39 | 115.7° | 110.7° |
| N3 | C39 | C38 | C37 | 69.8° | 54.0° |
| N3 | C39 | C38 | N4 | 53.6° | 63.9° |
| N3 | C39 | C14 | H15 | 172.2° | 78.0° |
| C39 | N3 | C24 | H22 | 95.9° | 22.9° |
| C39 | N3 | C27 | H46 | 170.5° | 175.3° |
| N3 | C39 | C38 | H38 | 169.6° | 175.4° |
| C39 | N3 | C27 | O6 | 68.1° | 54.1° |
| S1 | C14 | C39 | H15 | 118.0° | 83.2° |
| S1 | C14 | C39 | C38 | 56.7° | 73.9° |
| C14 | S1 | C13 | H13 | 11.2° | 78.1° |
| C14 | S1 | C13 | H14 | 130.1° | 163.3° |
| S1 | C14 | C39 | H39 | 173.9° | 43.4° |
| C14 | C39 | C38 | H39 | 117.3° | 118.1° |
| C14 | C39 | C38 | C37 | 57.2° | 77.1° |
| C14 | C39 | C38 | N4 | 179.4° | 164.9° |
| C14 | C39 | C38 | H38 | 63.4° | 44.2° |
| C27 | C28 | C29 | N4 | 116.8° | 123.0° |
| C27 | C28 | C29 | H27 | 118.6° | 117.6° |
| C27 | C28 | C29 | C30 | 99.5° | 86.6° |
| C27 | C28 | N4 | H27 | 116.0° | 118.2° |
| C27 | C28 | N4 | C38 | 70.0° | 57.0° |
| C27 | C28 | N4 | C40 | 167.9° | 179.1° |
| C28 | C27 | H46 | O6 | 115.4° | 121.3° |
| C27 | C28 | C29 | H28 | 21.3° | 34.2° |
| C27 | C28 | C29 | H29 | 139.6° | 152.6° |
| C28 | C27 | O6 | H12 | 57.2° | 62.4° |
| C39 | C38 | N4 | C28 | 68.5° | 58.8° |
| C39 | C38 | C37 | C30 | 86.4° | 90.9° |
| C39 | C38 | C37 | N4 | 120.8° | 117.5° |
| C39 | C38 | C37 | H38 | 120.4° | 121.4° |
| C39 | C38 | N4 | H38 | 115.4° | 120.9° |
| C39 | C38 | C37 | C36 | 99.8° | 88.6° |
| C39 | C38 | N4 | C40 | 169.1° | 177.2° |
| C38 | C39 | C14 | H15 | 61.4° | 157.2° |
| C28 | C29 | C30 | H28 | 120.9° | 120.8° |
| C28 | C29 | C30 | H29 | 120.8° | 120.8° |
| C29 | C28 | N4 | H27 | 124.1° | 119.2° |
| C28 | C29 | C30 | C31 | 168.9° | 174.4° |
| C28 | C29 | C30 | C37 | 7.1° | 5.4° |
| C29 | C28 | N4 | C38 | 50.0° | 65.7° |
| C29 | C28 | N4 | C40 | 72.1° | 58.3° |
| C29 | C28 | C27 | H46 | 53.5° | 55.8° |
| C28 | C29 | H28 | H29 | 117.3° | 118.3° |
| C29 | C28 | C27 | O6 | 170.2° | 177.1° |
| C30 | C29 | C28 | N4 | 17.3° | 36.4° |
| C29 | C30 | C31 | C37 | 176.1° | 179.8° |
| C29 | C30 | C31 | C32 | 174.0° | 179.9° |
| C29 | C30 | C37 | C38 | 2.0° | 0.9° |
| C29 | C30 | C37 | C36 | 171.9° | 179.7° |
| C30 | C29 | C28 | H27 | 141.8° | 155.8° |
| C30 | C29 | H28 | H29 | 117.3° | 118.4° |
| C29 | C30 | C31 | H30 | 6.0° | 0.1° |
| C28 | N4 | C38 | C37 | 57.6° | 58.9° |
| C28 | N4 | C38 | C40 | 122.4° | 124.0° |
| N4 | C28 | C27 | H46 | 177.8° | 178.9° |
| N4 | C28 | C29 | H28 | 138.1° | 157.3° |
| N4 | C28 | C29 | H29 | 103.6° | 84.4° |
| C28 | N4 | C38 | H38 | 176.2° | 179.8° |
| C28 | N4 | C40 | H41 | 180.0° | 56.1° |
| C28 | N4 | C40 | H42 | 60.0° | 176.0° |
| C28 | N4 | C40 | H40 | 60.0° | 64.0° |
| N4 | C28 | C27 | O6 | 65.4° | 59.8° |
| C30 | C31 | C32 | H30 | 180.0° | 180.0° |
| C31 | C30 | C37 | C38 | 178.1° | 179.0° |
| C31 | C30 | C37 | C36 | 4.2° | 0.5° |
| C30 | C31 | C32 | C33 | 178.7° | 179.9° |
| C30 | C31 | C32 | C34 | 3.2° | 0.1° |
| C31 | C30 | C29 | H28 | 70.2° | 53.6° |
| C31 | C30 | C29 | H29 | 48.1° | 64.8° |
| C37 | C30 | C31 | C32 | 2.1° | 0.2° |
| C30 | C37 | C38 | C36 | 173.9° | 179.5° |
| C30 | C37 | C38 | N4 | 34.4° | 26.6° |
| C30 | C37 | C36 | C34 | 7.6° | 0.4° |
| C30 | C37 | C36 | O8 | 176.9° | 179.6° |
| C37 | C30 | C29 | H28 | 113.7° | 126.3° |
| C37 | C30 | C29 | H29 | 128.0° | 115.4° |
| C37 | C30 | C31 | H30 | 177.9° | 179.8° |
| C30 | C37 | C38 | H38 | 153.2° | 147.7° |
| C31 | C32 | C33 | C34 | 178.1° | 180.0° |
| C31 | C32 | C34 | C36 | 6.6° | 0.2° |
| C31 | C32 | C34 | O7 | 174.9° | 179.8° |
| C31 | C32 | C33 | H32 | 91.0° | 90.0° |
| C31 | C32 | C33 | H33 | 149.0° | 150.0° |
| C31 | C32 | C33 | H31 | 29.0° | 30.0° |
| C37 | C38 | N4 | H38 | 118.5° | 121.3° |
| C37 | C38 | N4 | C40 | 64.8° | 65.1° |
| C38 | C37 | C36 | C34 | 178.4° | 179.0° |
| C38 | C37 | C36 | O8 | 2.9° | 0.9° |
| C37 | C38 | C39 | H39 | 174.6° | 164.7° |
| N4 | C38 | C37 | C36 | 139.5° | 153.9° |
| C38 | N4 | C28 | H27 | 174.0° | 175.1° |
| N4 | C38 | C39 | H39 | 62.0° | 46.7° |
| C38 | N4 | C40 | H41 | 56.9° | 179.8° |
| C38 | N4 | C40 | H42 | 63.1° | 59.9° |
| C38 | N4 | C40 | H40 | 176.9° | 60.1° |
| C37 | C36 | C34 | C32 | 9.0° | 0.1° |
| C37 | C36 | C34 | O8 | 175.0° | 180.0° |
| C37 | C36 | C34 | O7 | 172.7° | 179.9° |
| C37 | C36 | O8 | H37 | 180.0° | 90.0° |
| C36 | C37 | C38 | H38 | 20.6° | 32.8° |
| C33 | C32 | C34 | C36 | 175.3° | 179.9° |
| C33 | C32 | C34 | O7 | 3.2° | 0.1° |
| C33 | C32 | C31 | H30 | 1.4° | 0.1° |
| C32 | C33 | H32 | H33 | 120.0° | 120.0° |
| C32 | C33 | H32 | H31 | 120.0° | 120.0° |
| C32 | C33 | H33 | H31 | 120.0° | 120.0° |
| C32 | C34 | C36 | O7 | 178.4° | 180.0° |
| C32 | C34 | C36 | O8 | 176.0° | 179.9° |
| C32 | C34 | O7 | C35 | 117.1° | 90.1° |
| C34 | C32 | C31 | H30 | 176.8° | 179.9° |
| C34 | C32 | C33 | H32 | 91.0° | 90.0° |
| C34 | C32 | C33 | H33 | 29.1° | 30.0° |
| C34 | C32 | C33 | H31 | 149.0° | 150.0° |
| C40 | N4 | C28 | H27 | 52.0° | 60.9° |
| C40 | N4 | C38 | H38 | 53.8° | 56.3° |
| N4 | C40 | H41 | H42 | 120.0° | 120.0° |
| N4 | C40 | H41 | H40 | 120.0° | 120.1° |
| N4 | C40 | H42 | H40 | 120.0° | 120.0° |
| C36 | C34 | O7 | C35 | 61.4° | 89.9° |
| C34 | C36 | O8 | H37 | 4.8° | 90.0° |
| O8 | C36 | C34 | O7 | 2.3° | 0.1° |
| C34 | O7 | C35 | H35 | 180.0° | 60.1° |
| C34 | O7 | C35 | H36 | 60.0° | 59.9° |
| C34 | O7 | C35 | H34 | 60.0° | 180.0° |
| O7 | C35 | H35 | H36 | 120.0° | 120.0° |
| O7 | C35 | H35 | H34 | 120.0° | 119.9° |
| O7 | C35 | H36 | H34 | 120.0° | 120.0° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 2.5° | 0.4° |
| H8 | C10 | C11 | H10 | 45.6° | 12.9° |
| H8 | C10 | C11 | H11 | 165.2° | 130.5° |
| H9 | C10 | C11 | H10 | 74.5° | 106.1° |
| H9 | C10 | C11 | H11 | 45.1° | 11.5° |
| H10 | C11 | N2 | H26 | 51.2° | 57.6° |
| H11 | C11 | N2 | H26 | 68.5° | 60.2° |
| H15 | C14 | C39 | H39 | 55.9° | 39.8° |
| H16 | C18 | H17 | H18 | 120.0° | 120.0° |
| H19 | C20 | H20 | H21 | 120.0° | 120.0° |
| H22 | C24 | C25 | H24 | 73.2° | 82.6° |
| H22 | C24 | C25 | H23 | 48.7° | 156.6° |
| H46 | C27 | C28 | H27 | 65.3° | 62.2° |
| H46 | C27 | O6 | H12 | 58.6° | 58.8° |
| H27 | C28 | C29 | H28 | 97.3° | 83.3° |
| H27 | C28 | C29 | H29 | 21.0° | 35.0° |
| H27 | C28 | C27 | O6 | 51.4° | 59.1° |
| H32 | C33 | H33 | H31 | 120.0° | 120.0° |
| H35 | C35 | H36 | H34 | 120.0° | 120.0° |
| H38 | C38 | C39 | H39 | 53.9° | 73.9° |
| H41 | C40 | H42 | H40 | 120.0° | 120.0° |
