XB6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| O1 | C9 | doub | 1.21Å | 1.21Å | |
| C7 | C6 | doub | 1.38Å | 1.36Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.43Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C9 | N1 | sing | 1.35Å | 1.38Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | N1 | sing | 1.41Å | 1.34Å | |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| N1 | C24 | sing | 1.41Å | 1.41Å | |
| O3 | C27 | doub | 1.22Å | 1.22Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | N4 | sing | 1.40Å | 1.40Å | |
| C24 | C27 | sing | 1.40Å | 1.34Å | |
| C24 | C25 | doub | 1.38Å | 1.36Å | |
| C12 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | N3 | sing | 1.35Å | 1.37Å | |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| N4 | C25 | sing | 1.37Å | 1.38Å | |
| N4 | C28 | sing | 1.47Å | 1.47Å | |
| C25 | N2 | sing | 1.37Å | 1.35Å | |
| N3 | C26 | sing | 1.34Å | 1.35Å | |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| O4 | C29 | sing | 1.43Å | 1.36Å | |
| C15 | C16 | sing | 1.48Å | 1.48Å | |
| C28 | C29 | sing | 1.53Å | 1.49Å | |
| C21 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C26 | sing | 1.35Å | 1.36Å | |
| C26 | O2 | doub | 1.22Å | 1.21Å | |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| O15 | C41 | sing | 1.43Å | 1.40Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | O5 | sing | 1.43Å | 1.37Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C41 | C42 | sing | 1.55Å | 1.52Å | |
| C41 | C35 | sing | 1.55Å | 1.51Å | |
| O12 | P2 | doub | 1.48Å | 1.45Å | |
| C19 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| O6 | C31 | sing | 1.43Å | 1.42Å | |
| C42 | O16 | sing | 1.43Å | 1.41Å | |
| C42 | C34 | sing | 1.54Å | 1.53Å | |
| C36 | N6 | doub | 1.30Å | 1.30Å | Aromatic |
| C36 | N5 | sing | 1.36Å | 1.36Å | Aromatic |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| N6 | C37 | sing | 1.35Å | 1.38Å | Aromatic |
| O11 | P2 | sing | 1.61Å | 1.46Å | |
| P2 | O13 | sing | 1.61Å | 1.55Å | |
| P2 | O10 | sing | 1.61Å | 1.55Å | |
| N5 | C35 | sing | 1.47Å | 1.44Å | |
| N5 | C40 | sing | 1.37Å | 1.36Å | Aromatic |
| C35 | O14 | sing | 1.44Å | 1.39Å | |
| C37 | C40 | doub | 1.41Å | 1.37Å | Aromatic |
| C37 | C38 | sing | 1.41Å | 1.40Å | Aromatic |
| C32 | O7 | sing | 1.43Å | 1.43Å | |
| N7 | C38 | sing | 1.38Å | 1.32Å | |
| C40 | N9 | sing | 1.33Å | 1.33Å | Aromatic |
| C33 | O13 | sing | 1.43Å | 1.41Å | |
| C33 | C34 | sing | 1.53Å | 1.50Å | |
| C34 | O14 | sing | 1.44Å | 1.44Å | |
| C38 | N8 | doub | 1.33Å | 1.34Å | Aromatic |
| O7 | P1 | sing | 1.61Å | 1.56Å | |
| O10 | P1 | sing | 1.61Å | 1.56Å | |
| N9 | C39 | doub | 1.32Å | 1.32Å | Aromatic |
| N8 | C39 | sing | 1.32Å | 1.33Å | Aromatic |
| P1 | O8 | doub | 1.48Å | 1.46Å | |
| P1 | O9 | sing | 1.61Å | 1.46Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.08Å | 1.08Å | |
| C39 | H36 | sing | 1.08Å | 1.08Å | |
| C41 | H37 | sing | 1.09Å | 1.10Å | |
| C42 | H38 | sing | 1.09Å | 1.10Å | |
| N7 | H39 | sing | 0.97Å | 1.00Å | |
| N7 | H40 | sing | 0.97Å | 1.00Å | |
| O11 | H41 | sing | 0.97Å | 0.95Å | |
| O15 | H42 | sing | 0.97Å | 0.95Å | |
| O16 | H43 | sing | 0.97Å | 0.95Å | |
| O4 | H44 | sing | 0.97Å | 0.95Å | |
| O5 | H45 | sing | 0.97Å | 0.95Å | |
| O6 | H46 | sing | 0.97Å | 0.95Å | |
| O9 | H47 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 120.2° | 119.9° |
| C8 | C7 | C2 | 120.6° | 119.9° |
| C7 | C8 | H5 | 109.5° | 109.5° |
| C7 | C8 | H6 | 109.5° | 109.5° |
| C7 | C8 | H7 | 109.5° | 109.5° |
| O1 | C9 | C10 | 121.8° | 120.0° |
| O1 | C9 | N1 | 121.0° | 120.0° |
| C6 | C7 | C2 | 119.2° | 120.2° |
| C7 | C6 | C5 | 120.5° | 119.8° |
| C7 | C6 | H2 | 119.8° | 120.1° |
| C7 | C2 | C1 | 119.6° | 119.9° |
| C7 | C2 | C3 | 119.7° | 120.2° |
| C6 | C5 | N1 | 119.5° | 120.7° |
| C6 | C5 | C4 | 120.9° | 120.1° |
| C5 | C6 | H2 | 119.8° | 120.1° |
| C10 | C9 | N1 | 117.2° | 120.0° |
| C9 | C10 | C11 | 112.4° | 109.5° |
| C9 | C10 | H8 | 108.7° | 109.5° |
| C9 | C10 | H9 | 108.7° | 109.5° |
| C9 | N1 | C5 | 121.5° | 120.7° |
| C9 | N1 | C24 | 120.9° | 120.7° |
| C10 | C11 | C12 | 112.0° | 109.5° |
| C10 | C11 | H3 | 108.8° | 109.5° |
| C10 | C11 | H4 | 108.8° | 109.5° |
| C11 | C10 | H8 | 108.7° | 109.5° |
| C11 | C10 | H9 | 108.7° | 109.5° |
| C1 | C2 | C3 | 120.7° | 119.9° |
| C2 | C1 | H14 | 109.5° | 109.4° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C2 | C3 | C4 | 120.7° | 119.9° |
| C2 | C3 | H12 | 119.6° | 120.1° |
| N1 | C5 | C4 | 119.4° | 119.2° |
| C5 | N1 | C24 | 117.0° | 118.6° |
| C5 | C4 | C3 | 118.9° | 119.8° |
| C5 | C4 | N4 | 119.5° | 119.6° |
| N1 | C24 | C27 | 120.5° | 120.9° |
| N1 | C24 | C25 | 118.1° | 119.9° |
| O3 | C27 | C24 | 123.6° | 120.4° |
| O3 | C27 | N3 | 119.2° | 120.4° |
| C11 | C12 | C23 | 120.7° | 119.9° |
| C11 | C12 | C13 | 121.7° | 119.9° |
| C12 | C11 | H3 | 108.9° | 109.5° |
| C12 | C11 | H4 | 108.8° | 109.5° |
| C3 | C4 | N4 | 121.6° | 120.6° |
| C4 | C3 | H12 | 119.6° | 120.0° |
| C4 | N4 | C25 | 116.4° | 119.8° |
| C4 | N4 | C28 | 119.2° | 120.1° |
| C27 | C24 | C25 | 121.2° | 119.2° |
| C24 | C27 | N3 | 117.2° | 119.2° |
| C24 | C25 | N4 | 120.4° | 120.1° |
| C24 | C25 | N2 | 120.0° | 119.2° |
| C23 | C12 | C13 | 117.6° | 120.3° |
| C12 | C23 | C22 | 121.3° | 120.1° |
| C12 | C23 | H23 | 119.3° | 119.9° |
| C12 | C13 | C14 | 121.5° | 120.1° |
| C12 | C13 | H10 | 119.3° | 119.9° |
| C27 | N3 | C26 | 123.8° | 120.8° |
| C27 | N3 | H13 | 118.1° | 119.6° |
| C23 | C22 | C15 | 121.2° | 119.9° |
| C23 | C22 | H22 | 119.4° | 120.1° |
| C22 | C23 | H23 | 119.3° | 120.0° |
| C13 | C14 | C15 | 120.8° | 119.9° |
| C13 | C14 | H1 | 119.6° | 120.1° |
| C14 | C13 | H10 | 119.2° | 119.9° |
| C22 | C15 | C14 | 117.5° | 119.7° |
| C22 | C15 | C16 | 120.6° | 120.1° |
| C15 | C22 | H22 | 119.4° | 120.1° |
| C25 | N4 | C28 | 119.2° | 120.1° |
| N4 | C25 | N2 | 119.6° | 120.7° |
| N4 | C28 | C29 | 117.9° | 109.4° |
| N4 | C28 | H24 | 107.4° | 109.5° |
| N4 | C28 | H25 | 107.4° | 109.5° |
| C25 | N2 | C26 | 121.2° | 120.2° |
| C25 | N2 | H11 | 119.4° | 119.8° |
| N3 | C26 | N2 | 116.6° | 121.4° |
| N3 | C26 | O2 | 121.6° | 119.3° |
| C26 | N3 | H13 | 118.1° | 119.7° |
| C14 | C15 | C16 | 121.9° | 120.1° |
| C15 | C14 | H1 | 119.6° | 120.0° |
| O4 | C29 | C28 | 104.6° | 109.5° |
| O4 | C29 | C30 | 106.1° | 109.5° |
| O4 | C29 | H26 | 113.1° | 109.5° |
| C29 | O4 | H44 | 109.5° | 114.0° |
| C15 | C16 | C21 | 120.7° | 120.1° |
| C15 | C16 | C17 | 121.6° | 120.1° |
| C28 | C29 | C30 | 111.2° | 109.5° |
| C29 | C28 | H24 | 107.3° | 109.5° |
| C29 | C28 | H25 | 107.3° | 109.5° |
| C28 | C29 | H26 | 111.0° | 109.4° |
| C16 | C21 | C20 | 121.1° | 119.9° |
| C21 | C16 | C17 | 117.7° | 119.7° |
| C16 | C21 | H21 | 119.5° | 120.1° |
| C21 | C20 | C19 | 120.2° | 120.1° |
| C21 | C20 | H20 | 119.9° | 119.9° |
| C20 | C21 | H21 | 119.5° | 120.1° |
| N2 | C26 | O2 | 121.8° | 119.3° |
| C26 | N2 | H11 | 119.4° | 119.9° |
| C16 | C17 | C18 | 120.9° | 119.9° |
| C16 | C17 | H17 | 119.5° | 120.0° |
| C29 | C30 | O5 | 108.4° | 109.5° |
| C29 | C30 | C31 | 115.9° | 109.5° |
| C30 | C29 | H26 | 110.6° | 109.5° |
| C29 | C30 | H27 | 108.3° | 109.4° |
| C20 | C19 | C18 | 119.8° | 120.2° |
| C20 | C19 | H19 | 120.1° | 119.9° |
| C19 | C20 | H20 | 119.9° | 119.9° |
| O15 | C41 | C42 | 111.2° | 110.9° |
| O15 | C41 | C35 | 107.8° | 110.9° |
| O15 | C41 | H37 | 114.0° | 110.7° |
| C41 | O15 | H42 | 109.5° | 114.1° |
| C17 | C18 | C19 | 120.3° | 120.1° |
| C18 | C17 | H17 | 119.6° | 120.1° |
| C17 | C18 | H18 | 119.8° | 120.0° |
| O5 | C30 | C31 | 105.4° | 109.5° |
| O5 | C30 | H27 | 110.4° | 109.5° |
| C30 | O5 | H45 | 109.5° | 114.0° |
| C30 | C31 | O6 | 108.6° | 109.4° |
| C30 | C31 | C32 | 111.2° | 109.5° |
| C31 | C30 | H27 | 108.4° | 109.5° |
| C30 | C31 | H28 | 108.4° | 109.4° |
| C42 | C41 | C35 | 98.7° | 102.1° |
| C41 | C42 | O16 | 110.4° | 110.5° |
| C41 | C42 | C34 | 102.9° | 104.2° |
| C42 | C41 | H37 | 112.0° | 110.9° |
| C41 | C42 | H38 | 110.8° | 110.5° |
| C41 | C35 | N5 | 115.3° | 110.8° |
| C41 | C35 | O14 | 103.1° | 103.5° |
| C41 | C35 | H34 | 109.3° | 110.6° |
| C35 | C41 | H37 | 112.1° | 110.9° |
| O12 | P2 | O11 | 123.1° | 109.5° |
| O12 | P2 | O13 | 107.4° | 109.5° |
| O12 | P2 | O10 | 108.7° | 109.5° |
| C19 | C18 | H18 | 119.9° | 119.9° |
| C18 | C19 | H19 | 120.1° | 119.9° |
| O6 | C31 | C32 | 110.4° | 109.4° |
| O6 | C31 | H28 | 109.7° | 109.5° |
| C31 | O6 | H46 | 109.5° | 114.0° |
| O16 | C42 | C34 | 109.0° | 110.5° |
| O16 | C42 | H38 | 112.5° | 110.5° |
| C42 | O16 | H43 | 109.5° | 114.0° |
| C42 | C34 | C33 | 115.7° | 109.9° |
| C42 | C34 | O14 | 105.2° | 107.3° |
| C42 | C34 | H33 | 108.9° | 110.0° |
| C34 | C42 | H38 | 110.7° | 110.5° |
| N6 | C36 | N5 | 113.4° | 110.0° |
| C36 | N6 | C37 | 103.9° | 109.4° |
| N6 | C36 | H35 | 123.3° | 125.0° |
| C36 | N5 | C35 | 128.5° | 126.3° |
| C36 | N5 | C40 | 106.1° | 107.4° |
| N5 | C36 | H35 | 123.3° | 125.0° |
| C31 | C32 | O7 | 114.6° | 109.5° |
| C32 | C31 | H28 | 108.5° | 109.5° |
| C31 | C32 | H29 | 108.2° | 109.5° |
| C31 | C32 | H30 | 108.2° | 109.5° |
| N6 | C37 | C40 | 110.6° | 107.1° |
| N6 | C37 | C38 | 132.6° | 134.7° |
| O11 | P2 | O13 | 107.9° | 109.5° |
| O11 | P2 | O10 | 108.1° | 109.5° |
| P2 | O11 | H41 | 109.5° | 114.0° |
| O13 | P2 | O10 | 99.1° | 109.4° |
| P2 | O13 | C33 | 114.7° | 123.0° |
| P2 | O10 | P1 | 129.8° | 134.0° |
| C35 | N5 | C40 | 125.3° | 126.3° |
| N5 | C35 | O14 | 107.7° | 110.6° |
| N5 | C35 | H34 | 110.2° | 110.5° |
| N5 | C40 | C37 | 105.9° | 106.0° |
| N5 | C40 | N9 | 127.0° | 135.0° |
| C35 | O14 | C34 | 107.5° | 107.0° |
| O14 | C35 | H34 | 111.0° | 110.6° |
| C40 | C37 | C38 | 116.8° | 118.2° |
| C37 | C40 | N9 | 127.1° | 119.0° |
| C37 | C38 | N7 | 124.2° | 120.7° |
| C37 | C38 | N8 | 117.6° | 118.5° |
| C32 | O7 | P1 | 118.8° | 123.0° |
| O7 | C32 | H29 | 108.2° | 109.4° |
| O7 | C32 | H30 | 108.2° | 109.5° |
| N7 | C38 | N8 | 118.2° | 120.8° |
| C38 | N7 | H39 | 109.5° | 120.1° |
| C38 | N7 | H40 | 109.4° | 120.0° |
| C40 | N9 | C39 | 110.7° | 120.7° |
| O13 | C33 | C34 | 107.6° | 109.5° |
| O13 | C33 | H31 | 109.9° | 109.5° |
| O13 | C33 | H32 | 109.9° | 109.5° |
| C33 | C34 | O14 | 107.6° | 109.9° |
| C34 | C33 | H31 | 109.9° | 109.5° |
| C34 | C33 | H32 | 109.9° | 109.5° |
| C33 | C34 | H33 | 109.3° | 109.9° |
| O14 | C34 | H33 | 110.1° | 109.9° |
| C38 | N8 | C39 | 118.7° | 121.2° |
| O7 | P1 | O10 | 100.3° | 109.5° |
| O7 | P1 | O8 | 113.1° | 109.5° |
| O7 | P1 | O9 | 101.5° | 109.5° |
| O10 | P1 | O8 | 108.1° | 109.5° |
| O10 | P1 | O9 | 112.4° | 109.5° |
| N9 | C39 | N8 | 129.1° | 122.5° |
| N9 | C39 | H36 | 115.4° | 118.7° |
| N8 | C39 | H36 | 115.4° | 118.8° |
| O8 | P1 | O9 | 119.7° | 109.5° |
| P1 | O9 | H47 | 109.5° | 114.0° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H5 | C8 | H7 | 109.4° | 109.5° |
| H6 | C8 | H7 | 109.4° | 109.4° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.4° | 109.5° |
| H14 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.5° |
| H24 | C28 | H25 | 109.4° | 109.5° |
| H29 | C32 | H30 | 109.5° | 109.4° |
| H31 | C33 | H32 | 109.5° | 109.4° |
| H39 | N7 | H40 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | C2 | 179.9° | 180.0° |
| C8 | C7 | C6 | C5 | 179.1° | 180.0° |
| C8 | C7 | C2 | C1 | 0.2° | 0.1° |
| C8 | C7 | C2 | C3 | 179.6° | 179.7° |
| C8 | C7 | C6 | H2 | 0.9° | 0.0° |
| C7 | C8 | H5 | H6 | 120.0° | 120.0° |
| C7 | C8 | H5 | H7 | 120.0° | 120.0° |
| C7 | C8 | H6 | H7 | 120.0° | 120.0° |
| O1 | C9 | C10 | N1 | 178.7° | 180.0° |
| O1 | C9 | C10 | C11 | 160.7° | 11.2° |
| O1 | C9 | N1 | C5 | 65.9° | 175.0° |
| O1 | C9 | N1 | C24 | 123.1° | 4.9° |
| O1 | C9 | C10 | H8 | 78.9° | 131.2° |
| O1 | C9 | C10 | H9 | 40.3° | 108.8° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C6 | C7 | C2 | C1 | 180.0° | 180.0° |
| C6 | C7 | C2 | C3 | 0.3° | 0.2° |
| C7 | C6 | C5 | N1 | 177.7° | 179.9° |
| C7 | C6 | C5 | C4 | 2.3° | 0.0° |
| C6 | C7 | C8 | H5 | 90.0° | 90.0° |
| C6 | C7 | C8 | H6 | 149.9° | 150.0° |
| C6 | C7 | C8 | H7 | 29.9° | 30.0° |
| C2 | C7 | C6 | C5 | 1.1° | 0.0° |
| C7 | C2 | C1 | C3 | 179.8° | 179.8° |
| C7 | C2 | C3 | C4 | 0.3° | 0.5° |
| C2 | C7 | C6 | H2 | 178.9° | 180.0° |
| C2 | C7 | C8 | H5 | 90.1° | 90.0° |
| C2 | C7 | C8 | H6 | 29.9° | 30.1° |
| C2 | C7 | C8 | H7 | 149.9° | 150.0° |
| C7 | C2 | C3 | H12 | 179.7° | 179.7° |
| C7 | C2 | C1 | H14 | 90.1° | 90.0° |
| C7 | C2 | C1 | H15 | 149.9° | 150.0° |
| C7 | C2 | C1 | H16 | 29.9° | 30.0° |
| C6 | C5 | N1 | C9 | 31.9° | 13.3° |
| C6 | C5 | N1 | C4 | 175.4° | 180.0° |
| C6 | C5 | N1 | C24 | 156.8° | 166.8° |
| C6 | C5 | C4 | C3 | 2.2° | 0.3° |
| C6 | C5 | C4 | N4 | 178.8° | 180.0° |
| C9 | C10 | C11 | H8 | 120.4° | 120.0° |
| C9 | C10 | C11 | H9 | 120.4° | 120.0° |
| C10 | C9 | N1 | C5 | 115.4° | 4.9° |
| C10 | C9 | N1 | C24 | 55.6° | 175.1° |
| C9 | C10 | C11 | C12 | 142.5° | 180.0° |
| C9 | C10 | C11 | H3 | 97.1° | 60.0° |
| C9 | C10 | C11 | H4 | 22.1° | 60.0° |
| C9 | C10 | H8 | H9 | 118.7° | 120.0° |
| N1 | C9 | C10 | C11 | 20.6° | 168.7° |
| C9 | N1 | C5 | C24 | 171.3° | 179.9° |
| C9 | N1 | C5 | C4 | 143.5° | 166.8° |
| C9 | N1 | C24 | C27 | 32.4° | 13.4° |
| C9 | N1 | C24 | C25 | 142.1° | 166.6° |
| N1 | C9 | C10 | H8 | 99.8° | 48.7° |
| N1 | C9 | C10 | H9 | 141.0° | 71.3° |
| C10 | C11 | C12 | H3 | 120.4° | 120.0° |
| C10 | C11 | C12 | H4 | 120.4° | 120.0° |
| C10 | C11 | C12 | C23 | 25.1° | 90.0° |
| C10 | C11 | C12 | C13 | 155.1° | 89.3° |
| C10 | C11 | H3 | H4 | 118.8° | 120.0° |
| C11 | C10 | H8 | H9 | 118.7° | 120.0° |
| C1 | C2 | C3 | C4 | 179.9° | 179.7° |
| C1 | C2 | C3 | H12 | 0.1° | 0.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H16 | 120.0° | 120.0° |
| C2 | C1 | H15 | H16 | 120.0° | 120.1° |
| C2 | C3 | C4 | C5 | 0.9° | 0.6° |
| C2 | C3 | C4 | H12 | 180.0° | 179.7° |
| C2 | C3 | C4 | N4 | 179.9° | 179.7° |
| C3 | C2 | C1 | H14 | 90.1° | 89.8° |
| C3 | C2 | C1 | H15 | 29.9° | 30.2° |
| C3 | C2 | C1 | H16 | 149.9° | 150.3° |
| N1 | C5 | C4 | C3 | 177.6° | 179.6° |
| N1 | C5 | C4 | N4 | 3.4° | 0.1° |
| C5 | N1 | C24 | C27 | 156.3° | 166.6° |
| C5 | N1 | C24 | C25 | 29.3° | 13.3° |
| N1 | C5 | C6 | H2 | 2.3° | 0.1° |
| C4 | C5 | N1 | C24 | 27.8° | 13.2° |
| C5 | C4 | C3 | N4 | 179.0° | 179.7° |
| C5 | C4 | N4 | C25 | 19.7° | 13.7° |
| C5 | C4 | N4 | C28 | 174.0° | 166.4° |
| C4 | C5 | C6 | H2 | 177.6° | 180.0° |
| C5 | C4 | C3 | H12 | 179.1° | 179.7° |
| N1 | C24 | C27 | O3 | 5.0° | 0.2° |
| N1 | C24 | C27 | C25 | 174.3° | 179.9° |
| N1 | C24 | C27 | N3 | 176.8° | 179.9° |
| N1 | C24 | C25 | N4 | 5.8° | 0.1° |
| N1 | C24 | C25 | N2 | 176.4° | 179.9° |
| O3 | C27 | C24 | N3 | 178.2° | 179.9° |
| O3 | C27 | C24 | C25 | 179.3° | 179.9° |
| O3 | C27 | N3 | C26 | 179.8° | 179.9° |
| O3 | C27 | N3 | H13 | 0.2° | 0.1° |
| C11 | C12 | C23 | C13 | 179.8° | 179.3° |
| C11 | C12 | C23 | C22 | 179.8° | 180.0° |
| C11 | C12 | C13 | C14 | 179.6° | 179.7° |
| C12 | C11 | H3 | H4 | 118.8° | 120.0° |
| C12 | C11 | C10 | H8 | 22.1° | 60.0° |
| C12 | C11 | C10 | H9 | 97.1° | 60.0° |
| C11 | C12 | C13 | H10 | 0.4° | 0.2° |
| C11 | C12 | C23 | H23 | 0.2° | 0.7° |
| C3 | C4 | N4 | C25 | 159.3° | 166.0° |
| C3 | C4 | N4 | C28 | 5.0° | 13.9° |
| C4 | N4 | C25 | C24 | 18.1° | 13.7° |
| C4 | N4 | C25 | C28 | 154.3° | 180.0° |
| C4 | N4 | C25 | N2 | 159.7° | 166.3° |
| C4 | N4 | C28 | C29 | 79.0° | 92.6° |
| N4 | C4 | C3 | H12 | 0.1° | 0.0° |
| C4 | N4 | C28 | H24 | 159.7° | 147.4° |
| C4 | N4 | C28 | H25 | 42.2° | 27.4° |
| C27 | C24 | C25 | N4 | 179.7° | 179.9° |
| C27 | C24 | C25 | N2 | 2.0° | 0.0° |
| C24 | C27 | N3 | C26 | 1.9° | 0.1° |
| C24 | C27 | N3 | H13 | 178.1° | 180.0° |
| C25 | C24 | C27 | N3 | 2.5° | 0.0° |
| C24 | C25 | N4 | N2 | 177.8° | 180.0° |
| C24 | C25 | N4 | C28 | 172.4° | 166.3° |
| C24 | C25 | N2 | C26 | 0.7° | 0.0° |
| C24 | C25 | N2 | H11 | 179.3° | 180.0° |
| C12 | C23 | C22 | H23 | 180.0° | 179.2° |
| C23 | C12 | C13 | C14 | 0.7° | 0.5° |
| C12 | C23 | C22 | C15 | 0.3° | 0.5° |
| C23 | C12 | C11 | H3 | 145.5° | 30.0° |
| C23 | C12 | C11 | H4 | 95.3° | 150.0° |
| C23 | C12 | C13 | H10 | 179.3° | 179.4° |
| C12 | C23 | C22 | H22 | 179.6° | 179.4° |
| C13 | C12 | C23 | C22 | 0.5° | 0.7° |
| C12 | C13 | C14 | H10 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.8° | 0.1° |
| C12 | C13 | C14 | H1 | 179.2° | 179.7° |
| C13 | C12 | C11 | H3 | 34.7° | 150.7° |
| C13 | C12 | C11 | H4 | 84.5° | 30.7° |
| C13 | C12 | C23 | H23 | 179.5° | 180.0° |
| C27 | N3 | C26 | H13 | 180.0° | 180.0° |
| C27 | N3 | C26 | N2 | 0.7° | 0.1° |
| C27 | N3 | C26 | O2 | 179.7° | 180.0° |
| C23 | C22 | C15 | H22 | 180.0° | 179.9° |
| C23 | C22 | C15 | C14 | 0.4° | 0.1° |
| C23 | C22 | C15 | C16 | 179.4° | 179.9° |
| C13 | C14 | C15 | C22 | 0.6° | 0.3° |
| C13 | C14 | C15 | H1 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 179.5° | 179.8° |
| C22 | C15 | C14 | C16 | 178.9° | 179.9° |
| C22 | C15 | C16 | C21 | 19.2° | 179.8° |
| C22 | C15 | C16 | C17 | 161.8° | 0.1° |
| C22 | C15 | C14 | H1 | 179.4° | 180.0° |
| C15 | C22 | C23 | H23 | 179.7° | 179.7° |
| C25 | N4 | C28 | C29 | 74.5° | 87.5° |
| N4 | C25 | N2 | C26 | 178.5° | 179.9° |
| N4 | C25 | N2 | H11 | 1.5° | 0.0° |
| C25 | N4 | C28 | H24 | 46.7° | 32.5° |
| C25 | N4 | C28 | H25 | 164.3° | 152.5° |
| C28 | N4 | C25 | N2 | 5.4° | 13.6° |
| N4 | C28 | C29 | O4 | 47.7° | 60.7° |
| N4 | C28 | C29 | H24 | 121.2° | 120.0° |
| N4 | C28 | C29 | H25 | 121.2° | 120.0° |
| N4 | C28 | C29 | C30 | 161.9° | 179.3° |
| N4 | C28 | H24 | H25 | 116.2° | 120.0° |
| N4 | C28 | C29 | H26 | 74.6° | 59.3° |
| C25 | N2 | C26 | N3 | 0.0° | 0.1° |
| C25 | N2 | C26 | H11 | 180.0° | 179.9° |
| C25 | N2 | C26 | O2 | 179.0° | 180.0° |
| N3 | C26 | N2 | O2 | 179.0° | 179.9° |
| N3 | C26 | N2 | H11 | 180.0° | 180.0° |
| C14 | C15 | C16 | C21 | 159.6° | 0.3° |
| C14 | C15 | C16 | C17 | 19.3° | 180.0° |
| C15 | C14 | C13 | H10 | 179.2° | 180.0° |
| C14 | C15 | C22 | H22 | 179.6° | 180.0° |
| O4 | C29 | C28 | C30 | 114.1° | 120.0° |
| O4 | C29 | C28 | H26 | 122.3° | 120.0° |
| O4 | C29 | C30 | H26 | 123.0° | 120.0° |
| O4 | C29 | C30 | O5 | 149.6° | NaN° |
| O4 | C29 | C30 | C31 | 92.2° | 60.0° |
| O4 | C29 | C28 | H24 | 168.9° | 59.4° |
| O4 | C29 | C28 | H25 | 73.5° | 179.4° |
| O4 | C29 | C30 | H27 | 29.8° | 60.0° |
| C15 | C16 | C21 | C17 | 179.0° | 179.7° |
| C15 | C16 | C21 | C20 | 179.5° | 179.8° |
| C15 | C16 | C17 | C18 | 179.5° | 180.0° |
| C16 | C15 | C14 | H1 | 0.4° | 0.1° |
| C15 | C16 | C17 | H17 | 0.5° | 0.1° |
| C15 | C16 | C21 | H21 | 0.5° | 0.0° |
| C16 | C15 | C22 | H22 | 0.6° | 0.1° |
| C28 | C29 | C30 | H26 | 123.8° | 120.0° |
| C28 | C29 | C30 | O5 | 36.4° | 60.0° |
| C28 | C29 | C30 | C31 | 154.6° | 180.0° |
| C29 | C28 | H24 | H25 | 116.2° | 120.0° |
| C28 | C29 | C30 | H27 | 83.4° | 60.0° |
| C28 | C29 | O4 | H44 | 180.0° | 55.3° |
| C16 | C21 | C20 | H21 | 180.0° | 179.8° |
| C16 | C21 | C20 | C19 | 0.3° | 0.6° |
| C21 | C16 | C17 | C18 | 0.5° | 0.3° |
| C21 | C16 | C17 | H17 | 179.5° | 179.8° |
| C16 | C21 | C20 | H20 | 179.8° | 179.7° |
| C20 | C21 | C16 | C17 | 0.5° | 0.6° |
| C21 | C20 | C19 | H20 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 0.0° | 0.3° |
| C21 | C20 | C19 | H19 | 180.0° | 179.7° |
| N2 | C26 | N3 | H13 | 179.4° | 180.0° |
| O2 | C26 | N2 | H11 | 1.0° | 0.1° |
| O2 | C26 | N3 | H13 | 0.3° | 0.1° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.3° | 0.0° |
| C16 | C17 | C18 | H18 | 179.8° | 180.0° |
| C17 | C16 | C21 | H21 | 179.4° | 179.7° |
| C29 | C30 | O5 | C31 | 124.7° | 120.0° |
| C29 | C30 | O5 | H27 | 118.5° | 120.0° |
| C29 | C30 | C31 | H27 | 122.0° | 120.0° |
| C29 | C30 | C31 | O6 | 65.1° | 60.0° |
| C29 | C30 | C31 | C32 | 173.3° | 179.9° |
| C30 | C29 | C28 | H24 | 76.9° | 60.7° |
| C30 | C29 | C28 | H25 | 40.6° | 59.3° |
| C29 | C30 | C31 | H28 | 54.1° | 60.0° |
| C30 | C29 | O4 | H44 | 62.4° | 64.7° |
| C29 | C30 | O5 | H45 | 180.0° | 60.0° |
| C20 | C19 | C18 | C17 | 0.0° | 0.1° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | H18 | 179.9° | 179.9° |
| C19 | C20 | C21 | H21 | 179.7° | 179.7° |
| O15 | C41 | C42 | C35 | 113.0° | 118.2° |
| O15 | C41 | C42 | H37 | 128.8° | 123.5° |
| O15 | C41 | C35 | H37 | 126.3° | 123.5° |
| O15 | C41 | C42 | O16 | 32.5° | 20.4° |
| O15 | C41 | C42 | C34 | 148.7° | 139.1° |
| O15 | C41 | C35 | N5 | 79.9° | 86.2° |
| O15 | C41 | C35 | O14 | 162.9° | 155.3° |
| O15 | C41 | C35 | H34 | 44.8° | 36.8° |
| O15 | C41 | C42 | H38 | 92.9° | 102.2° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| O5 | C30 | C31 | H27 | 118.2° | 120.0° |
| O5 | C30 | C31 | O6 | 175.1° | 180.0° |
| O5 | C30 | C31 | C32 | 53.5° | 60.0° |
| O5 | C30 | C29 | H26 | 87.4° | 60.0° |
| O5 | C30 | C31 | H28 | 65.7° | 60.0° |
| C30 | C31 | O6 | C32 | 122.1° | 120.0° |
| C30 | C31 | O6 | H28 | 118.3° | 120.0° |
| C30 | C31 | C32 | H28 | 119.1° | 120.0° |
| C30 | C31 | C32 | O7 | 138.2° | 175.0° |
| C31 | C30 | C29 | H26 | 30.8° | 60.0° |
| C30 | C31 | C32 | H29 | 101.1° | 55.0° |
| C30 | C31 | C32 | H30 | 17.4° | 65.0° |
| C31 | C30 | O5 | H45 | 55.3° | 60.1° |
| C30 | C31 | O6 | H46 | 180.0° | 60.0° |
| C42 | C41 | C35 | H37 | 118.1° | 118.3° |
| C41 | C42 | O16 | C34 | 112.4° | 114.7° |
| C41 | C42 | O16 | H38 | 124.4° | 122.6° |
| C41 | C42 | C34 | H38 | 118.5° | 118.7° |
| C42 | C41 | C35 | N5 | 164.4° | 155.6° |
| C42 | C41 | C35 | O14 | 47.3° | 37.0° |
| C41 | C42 | C34 | C33 | 105.0° | 121.5° |
| C41 | C42 | C34 | O14 | 13.5° | 2.0° |
| C41 | C42 | C34 | H33 | 131.5° | 117.5° |
| C42 | C41 | C35 | H34 | 70.9° | 81.5° |
| C42 | C41 | O15 | H42 | 180.0° | 61.4° |
| C41 | C42 | O16 | H43 | 180.0° | 61.4° |
| C35 | C41 | C42 | O16 | 80.6° | 97.8° |
| C35 | C41 | C42 | C34 | 35.7° | 20.9° |
| C41 | C35 | N5 | C36 | 48.3° | 90.6° |
| C41 | C35 | N5 | O14 | 114.5° | 114.2° |
| C41 | C35 | N5 | H34 | 124.2° | 123.0° |
| C41 | C35 | N5 | C40 | 133.6° | 89.4° |
| C41 | C35 | O14 | H34 | 116.9° | 118.5° |
| C41 | C35 | O14 | C34 | 40.9° | 40.1° |
| C35 | C41 | C42 | H38 | 154.1° | 139.5° |
| C35 | C41 | O15 | H42 | 72.9° | 174.1° |
| O12 | P2 | O11 | O13 | 125.8° | 120.0° |
| O12 | P2 | O11 | O10 | 127.9° | 120.1° |
| O12 | P2 | O13 | O10 | 112.9° | 120.0° |
| O12 | P2 | O13 | C33 | 24.6° | 55.0° |
| O12 | P2 | O10 | P1 | 144.8° | 40.0° |
| O12 | P2 | O11 | H41 | 0.0° | 180.0° |
| C19 | C18 | C17 | H17 | 179.7° | 180.0° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| O6 | C31 | C32 | H28 | 120.3° | 120.0° |
| O6 | C31 | C32 | O7 | 17.6° | 65.1° |
| O6 | C31 | C30 | H27 | 56.9° | 60.0° |
| O6 | C31 | C32 | H29 | 138.4° | 175.0° |
| O6 | C31 | C32 | H30 | 103.1° | 55.0° |
| O16 | C42 | C34 | H38 | 124.3° | 122.7° |
| O16 | C42 | C34 | C33 | 137.8° | 119.9° |
| O16 | C42 | C34 | O14 | 103.7° | 120.7° |
| O16 | C42 | C34 | H33 | 14.3° | 1.2° |
| O16 | C42 | C41 | H37 | 161.2° | 143.9° |
| C42 | C34 | O14 | C35 | 16.8° | 26.5° |
| C42 | C34 | C33 | O13 | 74.6° | 175.7° |
| C42 | C34 | C33 | O14 | 117.2° | 117.8° |
| C42 | C34 | C33 | H33 | 123.3° | 121.1° |
| C42 | C34 | O14 | H33 | 117.1° | 119.5° |
| C42 | C34 | C33 | H31 | 165.7° | 55.7° |
| C42 | C34 | C33 | H32 | 45.1° | 64.2° |
| C34 | C42 | C41 | H37 | 82.5° | 97.4° |
| C34 | C42 | O16 | H43 | 67.6° | 176.2° |
| N6 | C36 | N5 | H35 | 180.0° | 179.7° |
| N6 | C36 | N5 | C35 | 179.1° | 180.0° |
| N6 | C36 | N5 | C40 | 0.7° | 0.0° |
| C36 | N6 | C37 | C40 | 0.5° | 0.0° |
| C36 | N6 | C37 | C38 | 179.9° | 180.0° |
| N5 | C36 | N6 | C37 | 0.7° | 0.1° |
| C36 | N5 | C35 | C40 | 178.1° | 180.0° |
| C36 | N5 | C35 | O14 | 66.2° | 23.6° |
| C36 | N5 | C40 | C37 | 0.4° | 0.0° |
| C36 | N5 | C40 | N9 | 179.8° | 180.0° |
| C36 | N5 | C35 | H34 | 172.5° | 146.5° |
| C31 | C32 | O7 | H29 | 120.7° | 120.0° |
| C31 | C32 | O7 | H30 | 120.8° | 120.1° |
| C31 | C32 | O7 | P1 | 174.4° | 180.0° |
| C32 | C31 | C30 | H27 | 64.7° | 60.0° |
| C31 | C32 | H29 | H30 | 117.7° | 120.1° |
| C32 | C31 | O6 | H46 | 57.9° | 60.0° |
| N6 | C37 | C40 | N5 | 0.1° | 0.0° |
| N6 | C37 | C40 | C38 | 179.7° | 180.0° |
| N6 | C37 | C38 | N7 | 0.5° | 0.0° |
| N6 | C37 | C40 | N9 | 179.4° | 180.0° |
| N6 | C37 | C38 | N8 | 179.8° | 180.0° |
| C37 | N6 | C36 | H35 | 179.3° | 179.7° |
| O11 | P2 | O13 | O10 | 112.5° | 120.0° |
| O11 | P2 | O13 | C33 | 159.1° | 65.0° |
| O11 | P2 | O10 | P1 | 9.0° | 80.0° |
| P2 | O13 | C33 | C34 | 147.7° | 180.0° |
| O13 | P2 | O10 | P1 | 103.3° | 160.0° |
| P2 | O13 | C33 | H31 | 92.6° | 60.0° |
| P2 | O13 | C33 | H32 | 28.0° | 60.0° |
| O13 | P2 | O11 | H41 | 125.8° | 60.0° |
| O10 | P2 | O13 | C33 | 88.4° | 175.0° |
| P2 | O10 | P1 | O7 | 41.1° | 160.0° |
| P2 | O10 | P1 | O8 | 159.7° | 40.0° |
| P2 | O10 | P1 | O9 | 66.0° | 80.0° |
| O10 | P2 | O11 | H41 | 127.9° | 59.9° |
| N5 | C35 | O14 | H34 | 120.7° | 122.8° |
| C35 | N5 | C40 | C37 | 178.8° | 180.0° |
| C35 | N5 | C40 | N9 | 1.8° | 0.0° |
| N5 | C35 | O14 | C34 | 163.3° | 158.7° |
| C35 | N5 | C36 | H35 | 0.9° | 0.3° |
| N5 | C35 | C41 | H37 | 46.4° | 37.3° |
| C40 | N5 | C35 | O14 | 111.9° | 156.4° |
| N5 | C40 | C37 | N9 | 179.4° | 180.0° |
| N5 | C40 | C37 | C38 | 179.7° | 180.0° |
| N5 | C40 | N9 | C39 | 179.5° | 180.0° |
| C40 | N5 | C35 | H34 | 9.4° | 33.6° |
| C40 | N5 | C36 | H35 | 179.3° | 179.7° |
| C35 | O14 | C34 | C33 | 140.7° | 145.9° |
| C35 | O14 | C34 | H33 | 100.4° | 93.0° |
| O14 | C35 | C41 | H37 | 70.8° | 81.2° |
| C40 | C37 | C38 | N7 | 179.1° | 180.0° |
| C40 | C37 | C38 | N8 | 0.2° | 0.0° |
| C37 | C40 | N9 | C39 | 1.2° | 0.0° |
| C37 | C38 | N7 | N8 | 179.4° | 180.0° |
| C38 | C37 | C40 | N9 | 0.3° | 0.0° |
| C37 | C38 | N8 | C39 | 0.2° | 0.0° |
| C37 | C38 | N7 | H39 | 179.4° | 0.0° |
| C37 | C38 | N7 | H40 | 60.6° | 180.0° |
| C32 | O7 | P1 | O10 | 111.5° | 175.0° |
| C32 | O7 | P1 | O8 | 3.4° | 55.0° |
| C32 | O7 | P1 | O9 | 132.9° | 65.0° |
| O7 | C32 | C31 | H28 | 102.7° | 55.0° |
| O7 | C32 | H29 | H30 | 117.7° | 119.9° |
| N7 | C38 | N8 | C39 | 179.6° | 180.0° |
| C38 | N7 | H39 | H40 | 120.0° | 180.0° |
| C40 | N9 | C39 | N8 | 1.7° | 0.0° |
| C40 | N9 | C39 | H36 | 178.3° | 180.0° |
| O13 | C33 | C34 | H31 | 119.7° | 120.0° |
| O13 | C33 | C34 | H32 | 119.7° | 120.0° |
| O13 | C33 | C34 | O14 | 168.2° | 66.4° |
| O13 | C33 | H31 | H32 | 120.9° | 120.0° |
| O13 | C33 | C34 | H33 | 48.7° | 54.6° |
| C33 | C34 | O14 | H33 | 119.0° | 121.0° |
| C34 | C33 | H31 | H32 | 120.9° | 120.0° |
| C33 | C34 | C42 | H38 | 13.5° | 2.8° |
| O14 | C34 | C33 | H31 | 48.5° | 173.5° |
| O14 | C34 | C33 | H32 | 72.1° | 53.6° |
| C34 | O14 | C35 | H34 | 76.0° | 78.4° |
| O14 | C34 | C42 | H38 | 132.0° | 116.6° |
| C38 | N8 | C39 | N9 | 1.3° | 0.0° |
| C38 | N8 | C39 | H36 | 178.7° | 180.0° |
| N8 | C38 | N7 | H39 | 0.0° | 180.0° |
| N8 | C38 | N7 | H40 | 120.0° | 0.0° |
| O7 | P1 | O10 | O8 | 118.6° | 120.0° |
| O7 | P1 | O10 | O9 | 107.1° | 120.0° |
| O7 | P1 | O8 | O9 | 119.6° | 120.0° |
| P1 | O7 | C32 | H29 | 53.7° | 60.0° |
| P1 | O7 | C32 | H30 | 64.8° | 59.9° |
| O7 | P1 | O9 | H47 | 125.3° | 60.0° |
| O10 | P1 | O8 | O9 | 130.3° | 120.0° |
| O10 | P1 | O9 | H47 | 128.3° | 60.0° |
| N9 | C39 | N8 | H36 | 180.0° | 180.0° |
| O8 | P1 | O9 | H47 | 0.0° | 180.0° |
| H1 | C14 | C13 | H10 | 0.8° | 0.4° |
| H3 | C11 | C10 | H8 | 142.5° | 60.0° |
| H3 | C11 | C10 | H9 | 23.3° | 180.0° |
| H4 | C11 | C10 | H8 | 98.3° | 180.0° |
| H4 | C11 | C10 | H9 | 142.6° | 60.0° |
| H5 | C8 | H6 | H7 | 119.9° | 120.0° |
| H14 | C1 | H15 | H16 | 120.0° | 120.0° |
| H17 | C17 | C18 | H18 | 0.2° | 0.1° |
| H18 | C18 | C19 | H19 | 0.0° | 0.0° |
| H19 | C19 | C20 | H20 | 0.0° | 0.0° |
| H20 | C20 | C21 | H21 | 0.3° | 0.0° |
| H22 | C22 | C23 | H23 | 0.4° | 0.2° |
| H24 | C28 | C29 | H26 | 46.6° | 179.3° |
| H25 | C28 | C29 | H26 | 164.2° | 60.7° |
| H26 | C29 | C30 | H27 | 152.8° | 180.0° |
| H26 | C29 | O4 | H44 | 59.1° | 175.3° |
| H27 | C30 | C31 | H28 | 176.1° | 180.0° |
| H27 | C30 | O5 | H45 | 61.5° | 179.9° |
| H28 | C31 | C32 | H29 | 18.1° | 65.0° |
| H28 | C31 | C32 | H30 | 136.6° | 175.0° |
| H28 | C31 | O6 | H46 | 61.7° | 180.0° |
| H31 | C33 | C34 | H33 | 71.0° | 65.4° |
| H32 | C33 | C34 | H33 | 168.4° | 174.7° |
| H33 | C34 | C42 | H38 | 110.0° | 123.9° |
| H34 | C35 | C41 | H37 | 171.1° | 160.3° |
| H37 | C41 | C42 | H38 | 35.9° | 21.3° |
| H37 | C41 | O15 | H42 | 52.3° | 62.2° |
| H38 | C42 | O16 | H43 | 55.6° | 61.2° |
