XB3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| O1 | C9 | sing | 1.43Å | 1.39Å | |
| C9 | C10 | sing | 1.55Å | 1.51Å | |
| C9 | N1 | sing | 1.49Å | 1.43Å | |
| C10 | C11 | sing | 1.54Å | 1.52Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.37Å | |
| C5 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| N1 | C24 | sing | 1.48Å | 1.45Å | |
| O2 | C25 | doub | 1.21Å | 1.22Å | |
| C11 | C24 | sing | 1.54Å | 1.55Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N4 | sing | 1.40Å | 1.40Å | |
| C23 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.50Å | 1.50Å | |
| C24 | C27 | sing | 1.50Å | 1.49Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | N2 | sing | 1.34Å | 1.31Å | |
| C22 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| N4 | C27 | sing | 1.36Å | 1.35Å | |
| N4 | C28 | sing | 1.46Å | 1.48Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | N3 | doub | 1.31Å | 1.28Å | |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.49Å | |
| N2 | C26 | sing | 1.34Å | 1.35Å | |
| O4 | C29 | sing | 1.43Å | 1.37Å | |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| N3 | C26 | sing | 1.34Å | 1.30Å | |
| C18 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | O3 | doub | 1.22Å | 1.19Å | |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| O15 | C41 | sing | 1.43Å | 1.40Å | |
| C19 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| C30 | O5 | sing | 1.43Å | 1.37Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C41 | C42 | sing | 1.55Å | 1.51Å | |
| C41 | C35 | sing | 1.55Å | 1.51Å | |
| O6 | C31 | sing | 1.43Å | 1.42Å | |
| O11 | P2 | doub | 1.48Å | 1.46Å | |
| C42 | O16 | sing | 1.43Å | 1.42Å | |
| C42 | C34 | sing | 1.54Å | 1.53Å | |
| C36 | N6 | doub | 1.30Å | 1.30Å | Aromatic |
| C36 | N5 | sing | 1.36Å | 1.36Å | Aromatic |
| O12 | P2 | sing | 1.61Å | 1.46Å | |
| N6 | C37 | sing | 1.36Å | 1.37Å | Aromatic |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| 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 | 1.40Å | 1.37Å | Aromatic |
| C37 | C38 | sing | 1.41Å | 1.39Å | Aromatic |
| C33 | O13 | sing | 1.43Å | 1.41Å | |
| C33 | C34 | sing | 1.53Å | 1.50Å | |
| N7 | C38 | sing | 1.38Å | 1.32Å | |
| C32 | O7 | sing | 1.43Å | 1.44Å | |
| C40 | N9 | sing | 1.33Å | 1.33Å | Aromatic |
| C34 | O14 | sing | 1.44Å | 1.44Å | |
| C38 | N8 | doub | 1.33Å | 1.34Å | Aromatic |
| O7 | P1 | sing | 1.61Å | 1.57Å | |
| N9 | C39 | doub | 1.32Å | 1.32Å | Aromatic |
| N8 | C39 | sing | 1.32Å | 1.33Å | Aromatic |
| O10 | P1 | sing | 1.61Å | 1.55Å | |
| P1 | O9 | doub | 1.48Å | 1.46Å | |
| P1 | O8 | sing | 1.61Å | 1.47Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | 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 | |
| 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 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C39 | H37 | sing | 1.08Å | 1.08Å | |
| C41 | H38 | sing | 1.09Å | 1.10Å | |
| C42 | H39 | sing | 1.09Å | 1.10Å | |
| N7 | H40 | sing | 0.97Å | 1.00Å | |
| N7 | H41 | sing | 0.97Å | 1.00Å | |
| O1 | H42 | sing | 0.97Å | 0.95Å | |
| O12 | H43 | sing | 0.97Å | 0.95Å | |
| O15 | H44 | sing | 0.97Å | 0.95Å | |
| O16 | H45 | sing | 0.97Å | 0.95Å | |
| O4 | H46 | sing | 0.97Å | 0.95Å | |
| O5 | H47 | sing | 0.97Å | 0.95Å | |
| O6 | H48 | sing | 0.97Å | 0.95Å | |
| O8 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 120.9° | 119.8° |
| C8 | C7 | C2 | 120.0° | 119.9° |
| C7 | C8 | H4 | 109.5° | 109.4° |
| C7 | C8 | H5 | 109.5° | 109.5° |
| C7 | C8 | H6 | 109.5° | 109.5° |
| C6 | C7 | C2 | 119.2° | 120.3° |
| C7 | C6 | C5 | 120.2° | 120.1° |
| C7 | C6 | H2 | 119.9° | 120.0° |
| C7 | C2 | C1 | 119.7° | 120.0° |
| C7 | C2 | C3 | 119.6° | 120.0° |
| C6 | C5 | N1 | 117.4° | 118.4° |
| C6 | C5 | C4 | 121.0° | 119.4° |
| C5 | C6 | H2 | 119.9° | 119.9° |
| O1 | C9 | C10 | 110.1° | 110.5° |
| O1 | C9 | N1 | 108.3° | 110.5° |
| O1 | C9 | H7 | 112.7° | 110.5° |
| C9 | O1 | H42 | 109.5° | 114.1° |
| C10 | C9 | N1 | 102.3° | 104.2° |
| C9 | C10 | C11 | 98.2° | 104.9° |
| C10 | C9 | H7 | 110.8° | 110.5° |
| C9 | C10 | H8 | 112.2° | 110.4° |
| C9 | C10 | H9 | 112.2° | 110.3° |
| C9 | N1 | C5 | 109.8° | 107.8° |
| C9 | N1 | C24 | 105.0° | 103.4° |
| N1 | C9 | H7 | 112.0° | 110.5° |
| C10 | C11 | C24 | 102.7° | 104.6° |
| C10 | C11 | C12 | 113.0° | 110.4° |
| C10 | C11 | H3 | 104.1° | 110.5° |
| C11 | C10 | H8 | 112.2° | 110.3° |
| C11 | C10 | H9 | 112.2° | 110.4° |
| C1 | C2 | C3 | 120.7° | 120.0° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H15 | 109.5° | 109.4° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C2 | C3 | C4 | 120.5° | 120.0° |
| C2 | C3 | H12 | 119.7° | 120.0° |
| N1 | C5 | C4 | 121.5° | 122.2° |
| C5 | N1 | C24 | 120.5° | 111.9° |
| C5 | C4 | C3 | 119.5° | 120.2° |
| C5 | C4 | N4 | 118.9° | 120.5° |
| N1 | C24 | C11 | 105.1° | 104.8° |
| N1 | C24 | C25 | 104.0° | 110.4° |
| N1 | C24 | C27 | 110.2° | 111.6° |
| O2 | C25 | C24 | 122.0° | 119.7° |
| O2 | C25 | N2 | 121.2° | 119.7° |
| C24 | C11 | C12 | 126.8° | 110.4° |
| C11 | C24 | C25 | 103.8° | 108.6° |
| C11 | C24 | C27 | 122.6° | 110.4° |
| C24 | C11 | H3 | 103.8° | 110.5° |
| C11 | C12 | C23 | 115.9° | 119.9° |
| C11 | C12 | C13 | 125.7° | 119.9° |
| C12 | C11 | H3 | 104.2° | 110.4° |
| C3 | C4 | N4 | 121.5° | 119.4° |
| C4 | C3 | H12 | 119.8° | 120.0° |
| C4 | N4 | C27 | 120.7° | 118.3° |
| C4 | N4 | C28 | 118.8° | 120.9° |
| C12 | C23 | C22 | 120.5° | 120.2° |
| C23 | C12 | C13 | 118.1° | 120.2° |
| C12 | C23 | H23 | 119.8° | 119.9° |
| C23 | C22 | C15 | 122.2° | 119.9° |
| C23 | C22 | H22 | 118.9° | 120.1° |
| C22 | C23 | H23 | 119.7° | 120.0° |
| C25 | C24 | C27 | 109.6° | 110.9° |
| C24 | C25 | N2 | 116.7° | 120.6° |
| C24 | C27 | N4 | 121.6° | 119.2° |
| C24 | C27 | N3 | 119.9° | 121.5° |
| C12 | C13 | C14 | 120.8° | 120.1° |
| C12 | C13 | H10 | 119.5° | 119.9° |
| C25 | N2 | C26 | 120.5° | 121.1° |
| C25 | N2 | H11 | 119.7° | 119.4° |
| C22 | C15 | C14 | 116.9° | 119.7° |
| C22 | C15 | C16 | 119.5° | 120.1° |
| C15 | C22 | H22 | 118.9° | 120.1° |
| C27 | N4 | C28 | 120.5° | 120.8° |
| N4 | C27 | N3 | 118.3° | 119.2° |
| N4 | C28 | C29 | 112.8° | 109.5° |
| N4 | C28 | H25 | 108.6° | 109.5° |
| N4 | C28 | H26 | 108.6° | 109.5° |
| C13 | C14 | C15 | 121.2° | 119.9° |
| C13 | C14 | H1 | 119.4° | 120.0° |
| C14 | C13 | H10 | 119.6° | 120.0° |
| C27 | N3 | C26 | 118.6° | 122.2° |
| C14 | C15 | C16 | 123.5° | 120.2° |
| C15 | C14 | H1 | 119.4° | 120.1° |
| C15 | C16 | C17 | 120.4° | 120.1° |
| C15 | C16 | C21 | 122.1° | 120.2° |
| N2 | C26 | N3 | 125.0° | 121.9° |
| N2 | C26 | O3 | 117.5° | 119.1° |
| C26 | N2 | H11 | 119.7° | 119.5° |
| O4 | C29 | C28 | 105.6° | 109.5° |
| O4 | C29 | C30 | 107.4° | 109.5° |
| O4 | C29 | H27 | 111.7° | 109.5° |
| C29 | O4 | H46 | 109.5° | 114.0° |
| C16 | C17 | C18 | 121.5° | 119.9° |
| C17 | C16 | C21 | 117.4° | 119.7° |
| C16 | C17 | H17 | 119.3° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.1° |
| C18 | C17 | H17 | 119.2° | 120.1° |
| C17 | C18 | H18 | 119.9° | 119.9° |
| C16 | C21 | C20 | 120.9° | 119.9° |
| C16 | C21 | H21 | 119.6° | 120.0° |
| C28 | C29 | C30 | 113.1° | 109.4° |
| C29 | C28 | H25 | 108.7° | 109.5° |
| C29 | C28 | H26 | 108.6° | 109.5° |
| C28 | C29 | H27 | 109.7° | 109.5° |
| N3 | C26 | O3 | 117.5° | 119.0° |
| C18 | C19 | C20 | 119.4° | 120.3° |
| C19 | C18 | H18 | 119.9° | 119.9° |
| C18 | C19 | H19 | 120.3° | 119.8° |
| C21 | C20 | C19 | 120.6° | 120.1° |
| C21 | C20 | H20 | 119.7° | 119.9° |
| C20 | C21 | H21 | 119.6° | 120.1° |
| C29 | C30 | O5 | 107.5° | 109.5° |
| C29 | C30 | C31 | 115.2° | 109.4° |
| C30 | C29 | H27 | 109.4° | 109.5° |
| C29 | C30 | H28 | 109.0° | 109.5° |
| O15 | C41 | C42 | 110.1° | 110.9° |
| O15 | C41 | C35 | 112.1° | 110.9° |
| O15 | C41 | H38 | 113.8° | 110.9° |
| C41 | O15 | H44 | 109.5° | 114.0° |
| C20 | C19 | H19 | 120.3° | 119.9° |
| C19 | C20 | H20 | 119.7° | 119.9° |
| O5 | C30 | C31 | 104.8° | 109.5° |
| O5 | C30 | H28 | 111.2° | 109.5° |
| C30 | O5 | H47 | 109.5° | 114.0° |
| C30 | C31 | O6 | 109.1° | 109.5° |
| C30 | C31 | C32 | 111.5° | 109.5° |
| C31 | C30 | H28 | 109.0° | 109.5° |
| C30 | C31 | H29 | 108.1° | 109.5° |
| C42 | C41 | C35 | 95.6° | 102.1° |
| C41 | C42 | O16 | 106.5° | 110.5° |
| C41 | C42 | C34 | 100.2° | 104.2° |
| C42 | C41 | H38 | 111.9° | 110.9° |
| C41 | C42 | H39 | 112.1° | 110.5° |
| C41 | C35 | N5 | 116.1° | 110.8° |
| C41 | C35 | O14 | 102.8° | 103.5° |
| C41 | C35 | H35 | 108.6° | 110.6° |
| C35 | C41 | H38 | 112.0° | 110.9° |
| O6 | C31 | C32 | 110.4° | 109.4° |
| O6 | C31 | H29 | 109.5° | 109.4° |
| C31 | O6 | H48 | 109.5° | 114.0° |
| O11 | P2 | O12 | 122.1° | 109.5° |
| O11 | P2 | O13 | 108.9° | 109.5° |
| O11 | P2 | O10 | 108.5° | 109.4° |
| O16 | C42 | C34 | 111.4° | 110.5° |
| O16 | C42 | H39 | 113.7° | 110.5° |
| C42 | O16 | H45 | 109.5° | 114.0° |
| C42 | C34 | C33 | 115.4° | 109.9° |
| C42 | C34 | O14 | 104.6° | 107.3° |
| C42 | C34 | H34 | 109.4° | 110.0° |
| C34 | C42 | H39 | 112.0° | 110.5° |
| N6 | C36 | N5 | 113.1° | 110.0° |
| C36 | N6 | C37 | 104.1° | 109.4° |
| N6 | C36 | H36 | 123.4° | 125.0° |
| C36 | N5 | C35 | 128.4° | 126.3° |
| C36 | N5 | C40 | 106.4° | 107.5° |
| N5 | C36 | H36 | 123.4° | 125.0° |
| O12 | P2 | O13 | 107.2° | 109.5° |
| O12 | P2 | O10 | 109.3° | 109.5° |
| P2 | O12 | H43 | 109.5° | 114.1° |
| N6 | C37 | C40 | 110.8° | 107.2° |
| N6 | C37 | C38 | 132.4° | 134.6° |
| C31 | C32 | O7 | 114.8° | 109.5° |
| C32 | C31 | H29 | 108.2° | 109.5° |
| C31 | C32 | H30 | 108.1° | 109.5° |
| C31 | C32 | H31 | 108.1° | 109.5° |
| O13 | P2 | O10 | 98.2° | 109.5° |
| P2 | O13 | C33 | 113.8° | 123.0° |
| P2 | O10 | P1 | 132.7° | 134.0° |
| C35 | N5 | C40 | 125.2° | 126.2° |
| N5 | C35 | O14 | 109.4° | 110.6° |
| N5 | C35 | H35 | 109.5° | 110.6° |
| N5 | C40 | C37 | 105.6° | 106.0° |
| N5 | C40 | N9 | 127.2° | 135.0° |
| C35 | O14 | C34 | 107.0° | 107.0° |
| O14 | C35 | H35 | 110.2° | 110.6° |
| C40 | C37 | C38 | 116.8° | 118.2° |
| C37 | C40 | N9 | 127.2° | 119.0° |
| C37 | C38 | N7 | 123.6° | 120.8° |
| C37 | C38 | N8 | 117.7° | 118.4° |
| O13 | C33 | C34 | 108.0° | 109.5° |
| O13 | C33 | H32 | 109.8° | 109.4° |
| O13 | C33 | H33 | 109.8° | 109.4° |
| C33 | C34 | O14 | 106.8° | 109.8° |
| C34 | C33 | H32 | 109.8° | 109.5° |
| C34 | C33 | H33 | 109.8° | 109.5° |
| C33 | C34 | H34 | 109.8° | 109.9° |
| N7 | C38 | N8 | 118.7° | 120.8° |
| C38 | N7 | H40 | 109.5° | 120.0° |
| C38 | N7 | H41 | 109.5° | 120.0° |
| C32 | O7 | P1 | 118.2° | 123.0° |
| O7 | C32 | H30 | 108.2° | 109.5° |
| O7 | C32 | H31 | 108.1° | 109.4° |
| C40 | N9 | C39 | 110.7° | 120.7° |
| O14 | C34 | H34 | 110.7° | 109.9° |
| C38 | N8 | C39 | 118.7° | 121.2° |
| O7 | P1 | O10 | 101.2° | 109.5° |
| O7 | P1 | O9 | 113.6° | 109.5° |
| O7 | P1 | O8 | 106.5° | 109.5° |
| N9 | C39 | N8 | 128.9° | 122.4° |
| N9 | C39 | H37 | 115.5° | 118.8° |
| N8 | C39 | H37 | 115.6° | 118.8° |
| O10 | P1 | O9 | 104.7° | 109.5° |
| O10 | P1 | O8 | 109.2° | 109.5° |
| O9 | P1 | O8 | 119.9° | 109.5° |
| P1 | O8 | H49 | 109.5° | 114.0° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H4 | C8 | H6 | 109.4° | 109.5° |
| H5 | C8 | H6 | 109.4° | 109.5° |
| H8 | C10 | H9 | 109.5° | 110.4° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.4° |
| H25 | C28 | H26 | 109.5° | 109.4° |
| H30 | C32 | H31 | 109.5° | 109.5° |
| H32 | C33 | H33 | 109.5° | 109.5° |
| H40 | N7 | H41 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | C2 | 179.8° | 180.0° |
| C8 | C7 | C6 | C5 | 179.6° | 180.0° |
| C8 | C7 | C2 | C1 | 0.1° | 0.0° |
| C8 | C7 | C2 | C3 | 179.3° | 179.7° |
| C8 | C7 | C6 | H2 | 0.4° | 0.0° |
| C7 | C8 | H4 | H5 | 120.0° | 120.0° |
| C7 | C8 | H4 | H6 | 120.0° | 120.0° |
| C7 | C8 | H5 | H6 | 120.0° | 120.0° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C6 | C7 | C2 | C1 | 179.9° | 180.0° |
| C6 | C7 | C2 | C3 | 0.9° | 0.3° |
| C7 | C6 | C5 | N1 | 179.7° | 179.9° |
| C7 | C6 | C5 | C4 | 0.4° | 0.1° |
| C6 | C7 | C8 | H4 | 89.9° | 90.0° |
| C6 | C7 | C8 | H5 | 150.1° | 150.0° |
| C6 | C7 | C8 | H6 | 30.1° | 30.0° |
| C2 | C7 | C6 | C5 | 0.6° | 0.0° |
| C7 | C2 | C1 | C3 | 179.2° | 179.7° |
| C7 | C2 | C3 | C4 | 1.0° | 0.5° |
| C2 | C7 | C6 | H2 | 179.4° | 180.0° |
| C2 | C7 | C8 | H4 | 89.9° | 90.0° |
| C2 | C7 | C8 | H5 | 30.1° | 30.0° |
| C2 | C7 | C8 | H6 | 150.1° | 150.1° |
| C7 | C2 | C3 | H12 | 179.0° | 179.7° |
| C7 | C2 | C1 | H14 | 90.4° | 90.0° |
| C7 | C2 | C1 | H15 | 149.6° | 150.0° |
| C7 | C2 | C1 | H16 | 29.6° | 30.0° |
| C6 | C5 | N1 | C9 | 40.3° | 39.2° |
| C6 | C5 | N1 | C4 | 179.9° | 180.0° |
| C6 | C5 | N1 | C24 | 162.5° | 152.3° |
| C6 | C5 | C4 | C3 | 0.4° | 0.1° |
| C6 | C5 | C4 | N4 | 178.8° | 179.9° |
| O1 | C9 | C10 | N1 | 115.0° | 118.7° |
| O1 | C9 | C10 | H7 | 125.4° | 122.6° |
| O1 | C9 | N1 | H7 | 124.9° | 122.7° |
| O1 | C9 | C10 | C11 | 63.6° | 94.3° |
| O1 | C9 | N1 | C5 | 157.7° | 163.8° |
| O1 | C9 | N1 | C24 | 71.3° | 77.6° |
| O1 | C9 | C10 | H8 | 54.6° | 146.9° |
| O1 | C9 | C10 | H9 | 178.3° | 24.5° |
| C10 | C9 | N1 | H7 | 118.7° | 118.6° |
| C9 | C10 | C11 | H8 | 118.1° | 118.8° |
| C9 | C10 | C11 | H9 | 118.1° | 118.8° |
| C10 | C9 | N1 | C5 | 86.0° | 77.6° |
| C10 | C9 | N1 | C24 | 45.0° | 41.1° |
| C9 | C10 | C11 | C24 | 37.7° | 0.5° |
| C9 | C10 | C11 | C12 | 177.3° | 118.2° |
| C9 | C10 | C11 | H3 | 70.3° | 119.4° |
| C9 | C10 | H8 | H9 | 125.2° | 122.3° |
| C10 | C9 | O1 | H42 | 96.7° | 61.4° |
| N1 | C9 | C10 | C11 | 51.4° | 24.4° |
| C9 | N1 | C5 | C24 | 122.2° | 113.1° |
| C9 | N1 | C5 | C4 | 139.7° | 140.8° |
| C9 | N1 | C24 | C11 | 19.6° | 41.6° |
| C9 | N1 | C24 | C25 | 89.1° | 75.1° |
| C9 | N1 | C24 | C27 | 153.5° | 161.1° |
| N1 | C9 | C10 | H8 | 169.6° | 94.4° |
| N1 | C9 | C10 | H9 | 66.7° | 143.3° |
| N1 | C9 | O1 | H42 | 14.4° | 176.2° |
| C10 | C11 | C24 | N1 | 12.7° | 25.7° |
| C10 | C11 | C24 | C12 | 131.9° | 118.8° |
| C10 | C11 | C24 | H3 | 108.2° | 118.9° |
| C10 | C11 | C12 | H3 | 112.4° | 122.5° |
| C10 | C11 | C12 | C23 | 25.5° | 21.1° |
| C10 | C11 | C24 | C25 | 121.6° | 92.3° |
| C10 | C11 | C24 | C27 | 113.9° | 145.9° |
| C10 | C11 | C12 | C13 | 148.5° | 158.8° |
| C11 | C10 | C9 | H7 | 171.0° | 143.1° |
| C11 | C10 | H8 | H9 | 125.3° | 122.3° |
| C1 | C2 | C3 | C4 | 179.8° | 179.8° |
| 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° | 120.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.4° |
| C2 | C3 | C4 | H12 | 180.0° | 179.7° |
| C2 | C3 | C4 | N4 | 178.5° | 179.8° |
| C3 | C2 | C1 | H14 | 90.4° | 90.3° |
| C3 | C2 | C1 | H15 | 29.6° | 29.7° |
| C3 | C2 | C1 | H16 | 149.6° | 149.7° |
| C5 | N1 | C24 | C11 | 104.9° | 74.1° |
| N1 | C5 | C4 | C3 | 179.7° | 179.9° |
| N1 | C5 | C4 | N4 | 1.1° | 0.1° |
| C5 | N1 | C24 | C25 | 146.4° | 169.1° |
| C5 | N1 | C24 | C27 | 29.1° | 45.3° |
| N1 | C5 | C6 | H2 | 0.3° | 0.1° |
| C5 | N1 | C9 | H7 | 32.8° | 41.1° |
| C4 | C5 | N1 | C24 | 17.6° | 27.7° |
| C5 | C4 | C3 | N4 | 179.2° | 179.8° |
| C5 | C4 | N4 | C27 | 4.8° | 7.8° |
| C5 | C4 | N4 | C28 | 173.4° | 172.2° |
| C4 | C5 | C6 | H2 | 179.6° | 179.9° |
| C5 | C4 | C3 | H12 | 179.3° | 179.8° |
| N1 | C24 | C25 | O2 | 35.1° | 43.7° |
| N1 | C24 | C11 | C25 | 108.9° | 117.9° |
| N1 | C24 | C11 | C27 | 126.6° | 120.2° |
| N1 | C24 | C11 | C12 | 144.5° | 93.1° |
| N1 | C24 | C25 | C27 | 117.7° | 124.2° |
| N1 | C24 | C25 | N2 | 146.8° | 136.3° |
| N1 | C24 | C27 | N4 | 25.6° | 40.4° |
| N1 | C24 | C27 | N3 | 150.0° | 136.9° |
| N1 | C24 | C11 | H3 | 95.5° | 144.6° |
| C24 | N1 | C9 | H7 | 163.7° | 159.7° |
| O2 | C25 | C24 | C11 | 74.6° | 70.6° |
| O2 | C25 | C24 | N2 | 178.1° | 180.0° |
| O2 | C25 | C24 | C27 | 152.8° | 167.9° |
| O2 | C25 | N2 | C26 | 171.3° | 177.5° |
| O2 | C25 | N2 | H11 | 8.7° | 2.5° |
| C24 | C11 | C12 | H3 | 119.8° | 122.4° |
| C24 | C11 | C12 | C23 | 102.4° | 94.1° |
| C11 | C24 | C25 | C27 | 132.6° | 121.5° |
| C24 | C11 | C12 | C13 | 83.6° | 86.0° |
| C11 | C24 | C25 | N2 | 103.5° | 109.4° |
| C11 | C24 | C27 | N4 | 98.7° | 75.6° |
| C11 | C24 | C27 | N3 | 85.7° | 107.1° |
| C24 | C11 | C10 | H8 | 155.8° | 119.4° |
| C24 | C11 | C10 | H9 | 80.4° | 118.3° |
| C11 | C12 | C23 | C13 | 174.4° | 179.9° |
| C11 | C12 | C23 | C22 | 178.3° | 179.7° |
| C12 | C11 | C24 | C25 | 106.6° | 149.0° |
| C12 | C11 | C24 | C27 | 17.9° | 27.1° |
| C11 | C12 | C13 | C14 | 177.5° | 180.0° |
| C12 | C11 | C10 | H8 | 64.6° | 0.6° |
| C12 | C11 | C10 | H9 | 59.2° | 122.9° |
| C11 | C12 | C13 | H10 | 2.5° | 0.0° |
| C11 | C12 | C23 | H23 | 1.6° | 0.1° |
| C3 | C4 | N4 | C27 | 176.0° | 171.9° |
| C3 | C4 | N4 | C28 | 5.8° | 8.0° |
| C4 | N4 | C27 | C24 | 10.0° | 13.4° |
| C4 | N4 | C27 | C28 | 178.1° | 180.0° |
| C4 | N4 | C27 | N3 | 165.7° | 164.0° |
| C4 | N4 | C28 | C29 | 80.3° | 90.0° |
| N4 | C4 | C3 | H12 | 1.5° | 0.1° |
| C4 | N4 | C28 | H25 | 159.2° | 30.0° |
| C4 | N4 | C28 | H26 | 40.2° | 150.0° |
| C12 | C23 | C22 | H23 | 180.0° | 179.7° |
| C12 | C23 | C22 | C15 | 1.5° | 0.3° |
| C23 | C12 | C13 | C14 | 3.7° | 0.1° |
| C23 | C12 | C11 | H3 | 137.8° | 143.5° |
| C23 | C12 | C13 | H10 | 176.3° | 179.9° |
| C12 | C23 | C22 | H22 | 178.5° | 179.7° |
| C22 | C23 | C12 | C13 | 3.9° | 0.4° |
| C23 | C22 | C15 | H22 | 180.0° | 180.0° |
| C23 | C22 | C15 | C14 | 1.3° | 0.0° |
| C23 | C22 | C15 | C16 | 178.5° | 180.0° |
| C25 | C24 | C27 | N4 | 139.5° | 163.9° |
| C25 | C24 | C27 | N3 | 36.2° | 13.4° |
| C24 | C25 | N2 | C26 | 10.6° | 2.5° |
| C25 | C24 | C11 | H3 | 13.3° | 26.6° |
| C24 | C25 | N2 | H11 | 169.4° | 177.5° |
| C27 | C24 | C25 | N2 | 29.0° | 12.1° |
| C24 | C27 | N4 | N3 | 175.7° | 177.3° |
| C24 | C27 | N4 | C28 | 171.9° | 166.6° |
| C24 | C27 | N3 | C26 | 22.5° | 5.0° |
| C27 | C24 | C11 | H3 | 137.8° | 95.2° |
| C12 | C13 | C14 | H10 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.9° | 0.1° |
| C12 | C13 | C14 | H1 | 179.1° | 179.9° |
| C13 | C12 | C11 | H3 | 36.1° | 36.4° |
| C13 | C12 | C23 | H23 | 176.1° | 180.0° |
| C25 | N2 | C26 | H11 | 180.0° | 180.0° |
| C25 | N2 | C26 | N3 | 6.6° | 7.7° |
| C25 | N2 | C26 | O3 | 174.5° | 172.4° |
| C22 | C15 | C14 | C13 | 1.5° | 0.2° |
| C22 | C15 | C14 | C16 | 177.1° | 180.0° |
| C22 | C15 | C16 | C17 | 17.9° | 179.7° |
| C22 | C15 | C16 | C21 | 158.4° | 0.0° |
| C22 | C15 | C14 | H1 | 178.5° | 180.0° |
| C15 | C22 | C23 | H23 | 178.5° | 180.0° |
| C27 | N4 | C28 | C29 | 97.9° | 90.0° |
| N4 | C27 | N3 | C26 | 153.3° | 172.3° |
| C27 | N4 | C28 | H25 | 22.6° | 149.9° |
| C27 | N4 | C28 | H26 | 141.6° | 30.0° |
| C28 | N4 | C27 | N3 | 12.4° | 16.1° |
| N4 | C28 | C29 | O4 | 43.2° | 60.0° |
| N4 | C28 | C29 | H25 | 120.5° | 120.0° |
| N4 | C28 | C29 | H26 | 120.5° | 120.0° |
| N4 | C28 | C29 | C30 | 160.4° | 180.0° |
| N4 | C28 | H25 | H26 | 118.5° | 120.0° |
| N4 | C28 | C29 | H27 | 77.2° | 60.0° |
| C13 | C14 | C15 | H1 | 180.0° | 179.8° |
| C13 | C14 | C15 | C16 | 178.7° | 179.8° |
| C27 | N3 | C26 | N2 | 0.5° | 6.5° |
| C27 | N3 | C26 | O3 | 179.5° | 173.6° |
| C14 | C15 | C16 | C17 | 165.1° | 0.3° |
| C14 | C15 | C16 | C21 | 18.6° | 180.0° |
| C15 | C14 | C13 | H10 | 179.1° | 179.8° |
| C14 | C15 | C22 | H22 | 178.7° | 179.9° |
| C15 | C16 | C17 | C21 | 176.5° | 179.7° |
| C15 | C16 | C17 | C18 | 178.2° | 180.0° |
| C15 | C16 | C21 | C20 | 178.0° | 179.7° |
| C16 | C15 | C14 | H1 | 1.3° | 0.0° |
| C15 | C16 | C17 | H17 | 1.8° | 0.1° |
| C15 | C16 | C21 | H21 | 2.0° | 0.0° |
| C16 | C15 | C22 | H22 | 1.5° | 0.0° |
| N2 | C26 | N3 | O3 | 179.0° | 179.9° |
| O4 | C29 | C28 | C30 | 117.2° | 120.0° |
| O4 | C29 | C28 | H27 | 120.4° | 120.0° |
| O4 | C29 | C30 | H27 | 121.4° | 120.0° |
| O4 | C29 | C30 | O5 | 148.6° | 180.0° |
| O4 | C29 | C30 | C31 | 95.0° | 60.0° |
| O4 | C29 | C28 | H25 | 163.7° | 60.0° |
| O4 | C29 | C28 | H26 | 77.2° | 180.0° |
| O4 | C29 | C30 | H28 | 27.9° | 59.9° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 1.0° | 0.1° |
| C17 | C16 | C21 | C20 | 1.6° | 0.6° |
| C16 | C17 | C18 | H18 | 178.9° | 180.0° |
| C17 | C16 | C21 | H21 | 178.4° | 179.7° |
| C18 | C17 | C16 | C21 | 1.7° | 0.3° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.1° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C16 | C21 | C20 | H21 | 180.0° | 179.7° |
| C16 | C21 | C20 | C19 | 0.8° | 0.6° |
| C21 | C16 | C17 | H17 | 178.3° | 179.8° |
| C16 | C21 | C20 | H20 | 179.2° | 179.7° |
| C28 | C29 | C30 | H27 | 122.5° | 120.0° |
| C28 | C29 | C30 | O5 | 32.5° | 60.0° |
| C28 | C29 | C30 | C31 | 149.0° | 180.0° |
| C29 | C28 | H25 | H26 | 118.5° | 120.0° |
| C28 | C29 | C30 | H28 | 88.1° | 60.0° |
| C28 | C29 | O4 | H46 | 180.0° | 60.0° |
| N3 | C26 | N2 | H11 | 173.5° | 172.3° |
| C18 | C19 | C20 | C21 | 0.0° | 0.4° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C19 | C18 | C17 | H17 | 179.0° | 180.0° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| O3 | C26 | N2 | H11 | 5.5° | 7.6° |
| C21 | C20 | C19 | H20 | 180.0° | 179.7° |
| C21 | C20 | C19 | H19 | 180.0° | 179.8° |
| C29 | C30 | O5 | C31 | 123.1° | 120.0° |
| C29 | C30 | O5 | H28 | 119.2° | 120.0° |
| C29 | C30 | C31 | H28 | 122.9° | 120.0° |
| C29 | C30 | C31 | O6 | 65.5° | 60.0° |
| C29 | C30 | C31 | C32 | 172.3° | 180.0° |
| C30 | C29 | C28 | H25 | 79.1° | 60.0° |
| C30 | C29 | C28 | H26 | 39.9° | 60.0° |
| C29 | C30 | C31 | H29 | 53.5° | 60.0° |
| C30 | C29 | O4 | H46 | 59.0° | 60.0° |
| C29 | C30 | O5 | H47 | 180.0° | 60.0° |
| O15 | C41 | C42 | C35 | 115.9° | 118.1° |
| O15 | C41 | C42 | H38 | 127.6° | 123.7° |
| O15 | C41 | C35 | H38 | 129.3° | 123.6° |
| O15 | C41 | C42 | O16 | 47.0° | 20.3° |
| O15 | C41 | C42 | C34 | 163.1° | 139.0° |
| O15 | C41 | C35 | N5 | 73.3° | 86.3° |
| O15 | C41 | C35 | O14 | 167.3° | 155.2° |
| O15 | C41 | C35 | H35 | 50.6° | 36.7° |
| O15 | C41 | C42 | H39 | 78.0° | 102.3° |
| C20 | C19 | C18 | H18 | 179.8° | 180.0° |
| C19 | C20 | C21 | H21 | 179.2° | 179.7° |
| O5 | C30 | C31 | H28 | 119.1° | 120.0° |
| O5 | C30 | C31 | O6 | 176.5° | 180.0° |
| O5 | C30 | C31 | C32 | 54.3° | 60.0° |
| O5 | C30 | C29 | H27 | 90.1° | 60.0° |
| O5 | C30 | C31 | H29 | 64.5° | 60.0° |
| C30 | C31 | O6 | C32 | 122.8° | 120.0° |
| C30 | C31 | O6 | H29 | 118.1° | 120.0° |
| C30 | C31 | C32 | H29 | 118.8° | 120.1° |
| C30 | C31 | C32 | O7 | 137.3° | 175.0° |
| C31 | C30 | C29 | H27 | 26.4° | 60.0° |
| C30 | C31 | C32 | H30 | 101.9° | 55.0° |
| C30 | C31 | C32 | H31 | 16.6° | 65.0° |
| C31 | C30 | O5 | H47 | 56.8° | 60.0° |
| C30 | C31 | O6 | H48 | 180.0° | 60.0° |
| C42 | C41 | C35 | H38 | 116.4° | 118.2° |
| C41 | C42 | O16 | C34 | 108.3° | 114.8° |
| C41 | C42 | O16 | H39 | 124.0° | 122.6° |
| C41 | C42 | C34 | H39 | 119.0° | 118.7° |
| C42 | C41 | C35 | N5 | 172.4° | 155.6° |
| C42 | C41 | C35 | O14 | 53.0° | 37.0° |
| C41 | C42 | C34 | C33 | 89.4° | 121.4° |
| C41 | C42 | C34 | O14 | 27.7° | 2.0° |
| C41 | C42 | C34 | H34 | 146.2° | 117.5° |
| C42 | C41 | C35 | H35 | 63.7° | 81.5° |
| C42 | C41 | O15 | H44 | 180.0° | 61.5° |
| C41 | C42 | O16 | H45 | 180.0° | 61.5° |
| C35 | C41 | C42 | O16 | 69.0° | 97.8° |
| C35 | C41 | C42 | C34 | 47.1° | 20.9° |
| C41 | C35 | N5 | C36 | 43.0° | 90.5° |
| C41 | C35 | N5 | O14 | 115.7° | 114.1° |
| C41 | C35 | N5 | H35 | 123.4° | 123.0° |
| C41 | C35 | N5 | C40 | 135.8° | 89.4° |
| C41 | C35 | O14 | H35 | 115.6° | 118.5° |
| C41 | C35 | O14 | C34 | 37.4° | 40.1° |
| C35 | C41 | C42 | H39 | 166.0° | 139.6° |
| C35 | C41 | O15 | H44 | 74.9° | 174.2° |
| O6 | C31 | C32 | H29 | 119.8° | 120.0° |
| O6 | C31 | C32 | O7 | 15.9° | 65.0° |
| O6 | C31 | C30 | H28 | 57.4° | 60.0° |
| O6 | C31 | C32 | H30 | 136.7° | 175.0° |
| O6 | C31 | C32 | H31 | 104.9° | 55.0° |
| O11 | P2 | O12 | O13 | 126.5° | 120.0° |
| O11 | P2 | O12 | O10 | 128.0° | 120.0° |
| O11 | P2 | O13 | O10 | 112.8° | 120.0° |
| O11 | P2 | O13 | C33 | 20.0° | 55.0° |
| O11 | P2 | O10 | P1 | 109.2° | 40.0° |
| O11 | P2 | O12 | H43 | 0.0° | 180.0° |
| O16 | C42 | C34 | H39 | 128.6° | 122.6° |
| O16 | C42 | C34 | C33 | 158.2° | 119.9° |
| O16 | C42 | C34 | O14 | 84.7° | 120.8° |
| O16 | C42 | C34 | H34 | 33.9° | 1.2° |
| O16 | C42 | C41 | H38 | 174.6° | 144.0° |
| C42 | C34 | O14 | C35 | 5.7° | 26.5° |
| C42 | C34 | C33 | O13 | 78.0° | 175.7° |
| C42 | C34 | C33 | O14 | 115.8° | 117.8° |
| C42 | C34 | C33 | H34 | 124.1° | 121.2° |
| C42 | C34 | O14 | H34 | 117.7° | 119.6° |
| C42 | C34 | C33 | H32 | 162.3° | 55.8° |
| C42 | C34 | C33 | H33 | 41.8° | 64.3° |
| C34 | C42 | C41 | H38 | 69.3° | 97.3° |
| C34 | C42 | O16 | H45 | 71.7° | 176.3° |
| N6 | C36 | N5 | H36 | 180.0° | 179.7° |
| N6 | C36 | N5 | C35 | 178.9° | 179.9° |
| N6 | C36 | N5 | C40 | 0.1° | 0.0° |
| C36 | N6 | C37 | C40 | 0.7° | 0.0° |
| C36 | N6 | C37 | C38 | 180.0° | 179.9° |
| N5 | C36 | N6 | C37 | 0.5° | 0.0° |
| C36 | N5 | C35 | C40 | 178.8° | 179.9° |
| C36 | N5 | C35 | O14 | 72.7° | 23.6° |
| C36 | N5 | C40 | C37 | 0.4° | 0.0° |
| C36 | N5 | C40 | N9 | 179.6° | 179.9° |
| C36 | N5 | C35 | H35 | 166.4° | 146.4° |
| O12 | P2 | O13 | O10 | 113.2° | 120.0° |
| O12 | P2 | O13 | C33 | 154.0° | 65.1° |
| O12 | P2 | O10 | P1 | 26.1° | 80.0° |
| N6 | C37 | C40 | N5 | 0.7° | 0.0° |
| N6 | C37 | C40 | C38 | 179.5° | 179.9° |
| N6 | C37 | C38 | N7 | 0.0° | 0.1° |
| N6 | C37 | C40 | N9 | 179.3° | 179.9° |
| N6 | C37 | C38 | N8 | 179.5° | 179.9° |
| C37 | N6 | C36 | H36 | 179.5° | 179.7° |
| C31 | C32 | O7 | H30 | 120.8° | 120.0° |
| C31 | C32 | O7 | H31 | 120.8° | 120.0° |
| C31 | C32 | O7 | P1 | 167.3° | 180.0° |
| C32 | C31 | C30 | H28 | 64.8° | 60.0° |
| C31 | C32 | H30 | H31 | 117.6° | 120.0° |
| C32 | C31 | O6 | H48 | 57.2° | 60.0° |
| P2 | O13 | C33 | C34 | 167.4° | 180.0° |
| O13 | P2 | O10 | P1 | 137.6° | 160.0° |
| P2 | O13 | C33 | H32 | 72.8° | 60.0° |
| P2 | O13 | C33 | H33 | 47.6° | 59.9° |
| O13 | P2 | O12 | H43 | 126.5° | 59.9° |
| O10 | P2 | O13 | C33 | 92.8° | 175.0° |
| P2 | O10 | P1 | O7 | 1.7° | 160.0° |
| P2 | O10 | P1 | O9 | 120.0° | 40.0° |
| P2 | O10 | P1 | O8 | 110.4° | 80.0° |
| O10 | P2 | O12 | H43 | 128.0° | 60.0° |
| N5 | C35 | O14 | H35 | 120.5° | 122.8° |
| C35 | N5 | C40 | C37 | 179.4° | 179.9° |
| C35 | N5 | C40 | N9 | 0.5° | 0.1° |
| N5 | C35 | O14 | C34 | 161.3° | 158.8° |
| C35 | N5 | C36 | H36 | 1.0° | 0.3° |
| N5 | C35 | C41 | H38 | 56.0° | 37.4° |
| C40 | N5 | C35 | O14 | 108.5° | 156.5° |
| N5 | C40 | C37 | N9 | 180.0° | 180.0° |
| N5 | C40 | C37 | C38 | 179.9° | 179.9° |
| N5 | C40 | N9 | C39 | 179.6° | 179.9° |
| C40 | N5 | C35 | H35 | 12.4° | 33.6° |
| C40 | N5 | C36 | H36 | 179.9° | 179.7° |
| C35 | O14 | C34 | C33 | 128.5° | 146.0° |
| C35 | O14 | C34 | H34 | 112.0° | 93.1° |
| O14 | C35 | C41 | H38 | 63.3° | 81.2° |
| C40 | C37 | C38 | N7 | 179.3° | 180.0° |
| C40 | C37 | C38 | N8 | 0.2° | 0.1° |
| C37 | C40 | N9 | C39 | 0.4° | 0.0° |
| C37 | C38 | N7 | N8 | 179.5° | 179.9° |
| C38 | C37 | C40 | N9 | 0.2° | 0.0° |
| C37 | C38 | N8 | C39 | 0.2° | 0.1° |
| C37 | C38 | N7 | H40 | 179.5° | 0.1° |
| C37 | C38 | N7 | H41 | 60.5° | 179.9° |
| O13 | C33 | C34 | H32 | 119.8° | 120.0° |
| O13 | C33 | C34 | H33 | 119.8° | 120.0° |
| O13 | C33 | C34 | O14 | 166.2° | 66.5° |
| O13 | C33 | H32 | H33 | 120.7° | 119.9° |
| O13 | C33 | C34 | H34 | 46.2° | 54.5° |
| C33 | C34 | O14 | H34 | 119.5° | 121.0° |
| C34 | C33 | H32 | H33 | 120.7° | 120.1° |
| C33 | C34 | C42 | H39 | 29.6° | 2.7° |
| N7 | C38 | N8 | C39 | 179.3° | 180.0° |
| C38 | N7 | H40 | H41 | 120.0° | 180.0° |
| C32 | O7 | P1 | O10 | 129.3° | 175.0° |
| C32 | O7 | P1 | O9 | 17.7° | 55.0° |
| C32 | O7 | P1 | O8 | 116.6° | 65.0° |
| O7 | C32 | C31 | H29 | 103.9° | 55.0° |
| O7 | C32 | H30 | H31 | 117.6° | 119.9° |
| C40 | N9 | C39 | N8 | 0.4° | 0.0° |
| C40 | N9 | C39 | H37 | 179.6° | 179.9° |
| O14 | C34 | C33 | H32 | 46.4° | 173.5° |
| O14 | C34 | C33 | H33 | 74.0° | 53.5° |
| C34 | O14 | C35 | H35 | 78.2° | 78.4° |
| O14 | C34 | C42 | H39 | 146.7° | 116.6° |
| C38 | N8 | C39 | N9 | 0.1° | 0.1° |
| C38 | N8 | C39 | H37 | 179.9° | 180.0° |
| N8 | C38 | N7 | H40 | 0.0° | 180.0° |
| N8 | C38 | N7 | H41 | 120.0° | 0.0° |
| O7 | P1 | O10 | O9 | 118.3° | 120.0° |
| O7 | P1 | O10 | O8 | 112.1° | 120.0° |
| O7 | P1 | O9 | O8 | 127.6° | 120.0° |
| P1 | O7 | C32 | H30 | 46.6° | 60.0° |
| P1 | O7 | C32 | H31 | 71.9° | 60.0° |
| O7 | P1 | O8 | H49 | 130.8° | 60.0° |
| N9 | C39 | N8 | H37 | 180.0° | 179.9° |
| O10 | P1 | O9 | O8 | 122.9° | 120.0° |
| O10 | P1 | O8 | H49 | 120.7° | 60.0° |
| O9 | P1 | O8 | H49 | 0.0° | 180.0° |
| H1 | C14 | C13 | H10 | 0.9° | 0.0° |
| H3 | C11 | C10 | H8 | 47.8° | 121.8° |
| H3 | C11 | C10 | H9 | 171.6° | 0.5° |
| H4 | C8 | H5 | H6 | 119.9° | 120.0° |
| H7 | C9 | C10 | H8 | 70.9° | 24.3° |
| H7 | C9 | C10 | H9 | 52.9° | 98.1° |
| H7 | C9 | O1 | H42 | 139.0° | 61.2° |
| H14 | C1 | H15 | H16 | 120.0° | 120.0° |
| H17 | C17 | C18 | H18 | 1.0° | 0.1° |
| H18 | C18 | C19 | H19 | 0.1° | 0.1° |
| H19 | C19 | C20 | H20 | 0.0° | 0.1° |
| H20 | C20 | C21 | H21 | 0.8° | 0.0° |
| H22 | C22 | C23 | H23 | 1.5° | 0.0° |
| H25 | C28 | C29 | H27 | 43.3° | 179.9° |
| H26 | C28 | C29 | H27 | 162.3° | 60.0° |
| H27 | C29 | C30 | H28 | 149.3° | 180.0° |
| H27 | C29 | O4 | H46 | 60.9° | 180.0° |
| H28 | C30 | C31 | H29 | 176.4° | 180.0° |
| H28 | C30 | O5 | H47 | 60.8° | 179.9° |
| H29 | C31 | C32 | H30 | 16.9° | 65.0° |
| H29 | C31 | C32 | H31 | 135.3° | 175.0° |
| H29 | C31 | O6 | H48 | 61.9° | 180.0° |
| H32 | C33 | C34 | H34 | 73.6° | 65.5° |
| H33 | C33 | C34 | H34 | 166.0° | 174.5° |
| H34 | C34 | C42 | H39 | 94.7° | 123.8° |
| H35 | C35 | C41 | H38 | 179.9° | 160.3° |
| H38 | C41 | C42 | H39 | 49.6° | 21.4° |
| H38 | C41 | O15 | H44 | 53.5° | 62.2° |
| H39 | C42 | O16 | H45 | 56.0° | 61.1° |
