Y9K
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 | 1.36Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| O1 | C9 | sing | 1.43Å | 1.38Å | |
| C9 | C10 | sing | 1.55Å | 1.52Å | |
| C9 | N1 | sing | 1.49Å | 1.42Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C10 | C11 | sing | 1.54Å | 1.52Å | |
| C2 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.35Å | |
| C5 | C4 | doub | 1.39Å | 1.36Å | Aromatic |
| N1 | C30 | sing | 1.48Å | 1.44Å | |
| O2 | C31 | doub | 1.21Å | 1.20Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C30 | sing | 1.54Å | 1.56Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C4 | N4 | sing | 1.40Å | 1.40Å | |
| C30 | C31 | sing | 1.50Å | 1.49Å | |
| C30 | C33 | sing | 1.50Å | 1.49Å | |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | N2 | sing | 1.34Å | 1.31Å | |
| C12 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| N4 | C33 | sing | 1.36Å | 1.35Å | |
| N4 | C34 | sing | 1.46Å | 1.48Å | |
| C33 | N3 | doub | 1.31Å | 1.27Å | |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | C32 | sing | 1.34Å | 1.34Å | |
| C15 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.48Å | |
| O4 | C35 | sing | 1.43Å | 1.36Å | |
| C16 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.53Å | 1.49Å | |
| C27 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| N3 | C32 | sing | 1.34Å | 1.29Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | O3 | doub | 1.22Å | 1.19Å | |
| C20 | C21 | sing | 1.48Å | 1.48Å | |
| C20 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| O15 | C47 | sing | 1.43Å | 1.40Å | |
| C36 | O5 | sing | 1.43Å | 1.37Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C47 | C48 | sing | 1.55Å | 1.52Å | |
| C47 | C41 | sing | 1.55Å | 1.51Å | |
| O11 | P2 | doub | 1.48Å | 1.45Å | |
| O6 | C37 | sing | 1.43Å | 1.41Å | |
| C42 | N6 | doub | 1.30Å | 1.30Å | Aromatic |
| C42 | N5 | sing | 1.36Å | 1.36Å | Aromatic |
| N6 | C43 | sing | 1.36Å | 1.37Å | Aromatic |
| C48 | O16 | sing | 1.43Å | 1.41Å | |
| C48 | C40 | sing | 1.54Å | 1.52Å | |
| O12 | P2 | sing | 1.61Å | 1.45Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| N5 | C41 | sing | 1.46Å | 1.44Å | |
| N5 | C46 | sing | 1.37Å | 1.36Å | Aromatic |
| P2 | O13 | sing | 1.61Å | 1.55Å | |
| P2 | O10 | sing | 1.61Å | 1.55Å | |
| C41 | O14 | sing | 1.44Å | 1.39Å | |
| C43 | C46 | doub | 1.40Å | 1.36Å | Aromatic |
| C43 | C44 | sing | 1.41Å | 1.40Å | Aromatic |
| N7 | C44 | sing | 1.38Å | 1.32Å | |
| C46 | N9 | sing | 1.33Å | 1.33Å | Aromatic |
| C38 | O7 | sing | 1.43Å | 1.43Å | |
| C44 | N8 | doub | 1.33Å | 1.34Å | Aromatic |
| C40 | O14 | sing | 1.44Å | 1.43Å | |
| C40 | C39 | sing | 1.53Å | 1.50Å | |
| O13 | C39 | sing | 1.43Å | 1.41Å | |
| O7 | P1 | sing | 1.61Å | 1.56Å | |
| O10 | P1 | sing | 1.61Å | 1.56Å | |
| N9 | C45 | doub | 1.32Å | 1.32Å | Aromatic |
| N8 | C45 | sing | 1.32Å | 1.33Å | Aromatic |
| P1 | O8 | doub | 1.48Å | 1.45Å | |
| P1 | O9 | sing | 1.61Å | 1.45Å | |
| 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 | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C41 | H39 | sing | 1.09Å | 1.10Å | |
| C42 | H40 | sing | 1.08Å | 1.08Å | |
| C45 | H41 | sing | 1.08Å | 1.08Å | |
| C47 | H42 | sing | 1.09Å | 1.10Å | |
| C48 | H43 | sing | 1.09Å | 1.10Å | |
| N7 | H44 | sing | 0.97Å | 1.00Å | |
| N7 | H45 | sing | 0.97Å | 1.00Å | |
| O1 | H46 | sing | 0.97Å | 0.95Å | |
| O12 | H47 | sing | 0.97Å | 0.95Å | |
| O15 | H48 | sing | 0.97Å | 0.95Å | |
| O16 | H49 | sing | 0.97Å | 0.95Å | |
| O4 | H50 | sing | 0.97Å | 0.95Å | |
| O5 | H51 | sing | 0.97Å | 0.95Å | |
| O6 | H52 | sing | 0.97Å | 0.95Å | |
| O9 | H53 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 120.9° | 119.9° |
| C8 | C7 | C2 | 120.0° | 119.8° |
| C7 | C8 | H4 | 109.5° | 109.5° |
| C7 | C8 | H5 | 109.4° | 109.5° |
| C7 | C8 | H6 | 109.5° | 109.5° |
| C6 | C7 | C2 | 119.1° | 120.3° |
| C7 | C6 | C5 | 119.9° | 120.2° |
| C7 | C6 | H2 | 120.0° | 119.9° |
| C7 | C2 | C1 | 119.0° | 120.1° |
| C7 | C2 | C3 | 119.8° | 120.0° |
| C6 | C5 | N1 | 117.3° | 118.5° |
| C6 | C5 | C4 | 121.7° | 119.4° |
| C5 | C6 | H2 | 120.1° | 119.9° |
| O1 | C9 | C10 | 110.4° | 110.4° |
| O1 | C9 | N1 | 105.8° | 110.5° |
| O1 | C9 | H7 | 113.2° | 110.5° |
| C9 | O1 | H46 | 109.5° | 114.1° |
| C10 | C9 | N1 | 103.3° | 104.2° |
| C9 | C10 | C11 | 105.0° | 104.9° |
| C10 | C9 | H7 | 111.1° | 110.5° |
| C9 | C10 | H8 | 110.6° | 110.3° |
| C9 | C10 | H9 | 110.6° | 110.4° |
| C9 | N1 | C5 | 117.7° | 107.8° |
| C9 | N1 | C30 | 110.1° | 103.4° |
| N1 | C9 | H7 | 112.6° | 110.5° |
| C1 | C2 | C3 | 121.2° | 120.0° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.4° |
| C10 | C11 | C30 | 104.2° | 104.5° |
| C10 | C11 | C12 | 110.3° | 110.4° |
| C10 | C11 | H3 | 104.9° | 110.5° |
| C11 | C10 | H8 | 110.6° | 110.3° |
| C11 | C10 | H9 | 110.5° | 110.3° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C2 | C3 | H12 | 119.9° | 120.0° |
| N1 | C5 | C4 | 121.0° | 122.2° |
| C5 | N1 | C30 | 124.2° | 111.9° |
| C5 | C4 | C3 | 119.2° | 120.1° |
| C5 | C4 | N4 | 119.0° | 120.4° |
| N1 | C30 | C11 | 104.8° | 104.7° |
| N1 | C30 | C31 | 106.8° | 110.4° |
| N1 | C30 | C33 | 110.6° | 111.6° |
| O2 | C31 | C30 | 122.7° | 119.6° |
| O2 | C31 | N2 | 122.0° | 119.7° |
| C3 | C4 | N4 | 121.8° | 119.4° |
| C4 | C3 | H12 | 119.9° | 120.0° |
| C30 | C11 | C12 | 126.1° | 110.4° |
| C11 | C30 | C31 | 98.4° | 108.6° |
| C11 | C30 | C33 | 127.8° | 110.4° |
| C30 | C11 | H3 | 104.5° | 110.4° |
| C11 | C12 | C13 | 114.6° | 119.9° |
| C11 | C12 | C29 | 126.5° | 119.9° |
| C12 | C11 | H3 | 105.0° | 110.4° |
| C4 | N4 | C33 | 121.2° | 118.3° |
| C4 | N4 | C34 | 118.5° | 120.9° |
| C31 | C30 | C33 | 106.4° | 110.9° |
| C30 | C31 | N2 | 115.3° | 120.6° |
| C30 | C33 | N4 | 121.5° | 119.2° |
| C30 | C33 | N3 | 119.6° | 121.5° |
| C12 | C13 | C14 | 120.4° | 120.1° |
| C13 | C12 | C29 | 118.5° | 120.3° |
| C12 | C13 | H10 | 119.8° | 119.9° |
| C13 | C14 | C15 | 122.2° | 119.9° |
| C13 | C14 | H1 | 118.9° | 120.0° |
| C14 | C13 | H10 | 119.8° | 120.0° |
| C31 | N2 | C32 | 120.3° | 121.2° |
| C31 | N2 | H11 | 119.9° | 119.4° |
| C12 | C29 | C28 | 120.5° | 120.1° |
| C12 | C29 | H27 | 119.7° | 120.0° |
| C14 | C15 | C28 | 117.1° | 119.8° |
| C14 | C15 | C16 | 118.3° | 120.1° |
| C15 | C14 | H1 | 118.9° | 120.1° |
| C33 | N4 | C34 | 120.2° | 120.9° |
| N4 | C33 | N3 | 118.9° | 119.2° |
| N4 | C34 | C35 | 114.2° | 109.5° |
| N4 | C34 | H29 | 108.3° | 109.5° |
| N4 | C34 | H30 | 108.3° | 109.5° |
| C33 | N3 | C32 | 118.1° | 122.2° |
| C29 | C28 | C15 | 121.1° | 119.9° |
| C29 | C28 | H26 | 119.5° | 120.1° |
| C28 | C29 | H27 | 119.7° | 119.9° |
| N2 | C32 | N3 | 123.6° | 121.8° |
| N2 | C32 | O3 | 117.7° | 119.1° |
| C32 | N2 | H11 | 119.8° | 119.4° |
| C28 | C15 | C16 | 124.7° | 120.1° |
| C15 | C28 | H26 | 119.4° | 120.1° |
| C15 | C16 | C27 | 122.9° | 120.1° |
| C15 | C16 | C17 | 119.2° | 120.0° |
| O4 | C35 | C34 | 106.6° | 109.5° |
| O4 | C35 | C36 | 106.0° | 109.5° |
| O4 | C35 | H31 | 112.6° | 109.4° |
| C35 | O4 | H50 | 109.5° | 114.0° |
| C27 | C16 | C17 | 117.5° | 119.9° |
| C16 | C27 | C20 | 121.3° | 119.7° |
| C16 | C27 | H25 | 119.4° | 120.1° |
| C16 | C17 | C18 | 121.9° | 120.1° |
| C16 | C17 | H17 | 119.1° | 120.0° |
| C34 | C35 | C36 | 111.0° | 109.5° |
| C35 | C34 | H29 | 108.3° | 109.4° |
| C35 | C34 | H30 | 108.3° | 109.4° |
| C34 | C35 | H31 | 110.5° | 109.5° |
| C27 | C20 | C21 | 122.0° | 120.0° |
| C27 | C20 | C19 | 118.8° | 119.9° |
| C20 | C27 | H25 | 119.4° | 120.1° |
| N3 | C32 | O3 | 118.7° | 119.1° |
| C17 | C18 | C19 | 119.6° | 120.3° |
| C18 | C17 | H17 | 119.0° | 119.9° |
| C17 | C18 | H18 | 120.2° | 119.8° |
| C21 | C20 | C19 | 119.2° | 120.1° |
| C20 | C21 | C26 | 120.0° | 120.1° |
| C20 | C21 | C22 | 121.6° | 120.1° |
| C20 | C19 | C18 | 120.7° | 120.1° |
| C20 | C19 | H19 | 119.7° | 119.9° |
| C21 | C26 | C25 | 120.8° | 119.9° |
| C26 | C21 | C22 | 118.4° | 119.8° |
| C21 | C26 | H24 | 119.6° | 120.0° |
| C26 | C25 | C24 | 120.0° | 120.1° |
| C26 | C25 | H23 | 120.0° | 119.9° |
| C25 | C26 | H24 | 119.6° | 120.1° |
| C35 | C36 | O5 | 108.4° | 109.5° |
| C35 | C36 | C37 | 114.9° | 109.5° |
| C36 | C35 | H31 | 110.1° | 109.5° |
| C35 | C36 | H32 | 108.3° | 109.5° |
| C21 | C22 | C23 | 120.5° | 119.8° |
| C21 | C22 | H20 | 119.8° | 120.1° |
| C19 | C18 | H18 | 120.2° | 119.9° |
| C18 | C19 | H19 | 119.6° | 119.9° |
| C25 | C24 | C23 | 120.1° | 120.2° |
| C25 | C24 | H22 | 119.9° | 119.9° |
| C24 | C25 | H23 | 120.0° | 119.9° |
| C22 | C23 | C24 | 120.1° | 120.2° |
| C23 | C22 | H20 | 119.8° | 120.1° |
| C22 | C23 | H21 | 119.9° | 119.9° |
| C24 | C23 | H21 | 119.9° | 119.9° |
| C23 | C24 | H22 | 120.0° | 119.9° |
| O15 | C47 | C48 | 112.0° | 110.9° |
| O15 | C47 | C41 | 110.3° | 110.9° |
| O15 | C47 | H42 | 112.3° | 110.8° |
| C47 | O15 | H48 | 109.5° | 114.0° |
| O5 | C36 | C37 | 106.5° | 109.5° |
| O5 | C36 | H32 | 110.4° | 109.5° |
| C36 | O5 | H51 | 109.5° | 114.0° |
| C36 | C37 | O6 | 107.5° | 109.5° |
| C36 | C37 | C38 | 111.7° | 109.5° |
| C37 | C36 | H32 | 108.3° | 109.5° |
| C36 | C37 | H33 | 109.0° | 109.5° |
| C48 | C47 | C41 | 100.5° | 102.1° |
| C47 | C48 | O16 | 111.3° | 110.5° |
| C47 | C48 | C40 | 104.3° | 104.2° |
| C48 | C47 | H42 | 110.5° | 110.9° |
| C47 | C48 | H43 | 110.2° | 110.5° |
| C47 | C41 | N5 | 114.0° | 110.7° |
| C47 | C41 | O14 | 103.2° | 103.5° |
| C47 | C41 | H39 | 109.6° | 110.7° |
| C41 | C47 | H42 | 110.7° | 110.9° |
| O11 | P2 | O12 | 122.3° | 109.5° |
| O11 | P2 | O13 | 109.2° | 109.5° |
| O11 | P2 | O10 | 109.2° | 109.5° |
| O6 | C37 | C38 | 109.2° | 109.5° |
| O6 | C37 | H33 | 110.4° | 109.5° |
| C37 | O6 | H52 | 109.5° | 114.1° |
| N6 | C42 | N5 | 113.3° | 110.0° |
| C42 | N6 | C43 | 104.1° | 109.4° |
| N6 | C42 | H40 | 123.4° | 125.0° |
| C42 | N5 | C41 | 127.8° | 126.3° |
| C42 | N5 | C46 | 106.3° | 107.4° |
| N5 | C42 | H40 | 123.4° | 125.0° |
| N6 | C43 | C46 | 110.6° | 107.2° |
| N6 | C43 | C44 | 132.7° | 134.7° |
| O16 | C48 | C40 | 108.7° | 110.5° |
| O16 | C48 | H43 | 111.9° | 110.5° |
| C48 | O16 | H49 | 109.5° | 114.0° |
| C48 | C40 | O14 | 104.9° | 107.3° |
| C48 | C40 | C39 | 114.8° | 109.9° |
| C48 | C40 | H38 | 109.0° | 110.0° |
| C40 | C48 | H43 | 110.2° | 110.5° |
| O12 | P2 | O13 | 106.6° | 109.5° |
| O12 | P2 | O10 | 106.9° | 109.4° |
| P2 | O12 | H47 | 109.5° | 114.0° |
| C37 | C38 | O7 | 114.2° | 109.5° |
| C38 | C37 | H33 | 109.1° | 109.5° |
| C37 | C38 | H34 | 108.3° | 109.5° |
| C37 | C38 | H35 | 108.3° | 109.5° |
| C41 | N5 | C46 | 125.9° | 126.3° |
| N5 | C41 | O14 | 108.0° | 110.6° |
| N5 | C41 | H39 | 110.5° | 110.5° |
| N5 | C46 | C43 | 105.7° | 106.0° |
| N5 | C46 | N9 | 127.3° | 134.9° |
| O13 | P2 | O10 | 100.4° | 109.4° |
| P2 | O13 | C39 | 117.0° | 123.0° |
| P2 | O10 | P1 | 131.5° | 134.0° |
| C41 | O14 | C40 | 107.0° | 107.0° |
| O14 | C41 | H39 | 111.4° | 110.6° |
| C46 | C43 | C44 | 116.6° | 118.2° |
| C43 | C46 | N9 | 127.0° | 119.1° |
| C43 | C44 | N7 | 123.9° | 120.8° |
| C43 | C44 | N8 | 117.9° | 118.5° |
| N7 | C44 | N8 | 118.2° | 120.8° |
| C44 | N7 | H44 | 109.5° | 120.0° |
| C44 | N7 | H45 | 109.5° | 120.0° |
| C46 | N9 | C45 | 110.9° | 120.7° |
| C38 | O7 | P1 | 117.1° | 123.0° |
| O7 | C38 | H34 | 108.3° | 109.5° |
| O7 | C38 | H35 | 108.3° | 109.4° |
| C44 | N8 | C45 | 118.6° | 121.2° |
| O14 | C40 | C39 | 108.4° | 109.9° |
| O14 | C40 | H38 | 110.2° | 109.9° |
| C40 | C39 | O13 | 107.6° | 109.5° |
| C40 | C39 | H36 | 109.9° | 109.5° |
| C40 | C39 | H37 | 110.0° | 109.5° |
| C39 | C40 | H38 | 109.4° | 109.8° |
| O13 | C39 | H36 | 110.0° | 109.4° |
| O13 | C39 | H37 | 110.0° | 109.4° |
| O7 | P1 | O10 | 102.2° | 109.5° |
| O7 | P1 | O8 | 108.2° | 109.5° |
| O7 | P1 | O9 | 108.2° | 109.5° |
| O10 | P1 | O8 | 108.1° | 109.5° |
| O10 | P1 | O9 | 112.3° | 109.5° |
| N9 | C45 | N8 | 128.9° | 122.4° |
| N9 | C45 | H41 | 115.5° | 118.8° |
| N8 | C45 | H41 | 115.5° | 118.8° |
| O8 | P1 | O9 | 116.6° | 109.5° |
| P1 | O9 | H53 | 109.5° | 114.0° |
| H4 | C8 | H5 | 109.4° | 109.4° |
| H4 | C8 | H6 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 110.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H16 | 109.4° | 109.4° |
| H15 | C1 | H16 | 109.5° | 109.5° |
| H29 | C34 | H30 | 109.4° | 109.5° |
| H34 | C38 | H35 | 109.5° | 109.5° |
| H36 | C39 | H37 | 109.4° | 109.5° |
| H44 | N7 | H45 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | C2 | 179.6° | 180.0° |
| C8 | C7 | C6 | C5 | 179.3° | 180.0° |
| C8 | C7 | C2 | C1 | 0.5° | 0.0° |
| C8 | C7 | C2 | C3 | 179.3° | 179.7° |
| C8 | C7 | C6 | H2 | 0.7° | 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 | 1.1° | 0.3° |
| C7 | C6 | C5 | N1 | 179.1° | 179.9° |
| C7 | C6 | C5 | C4 | 1.2° | 0.0° |
| C6 | C7 | C8 | H4 | 89.8° | 90.0° |
| C6 | C7 | C8 | H5 | 150.2° | 150.0° |
| C6 | C7 | C8 | H6 | 30.2° | 30.0° |
| C2 | C7 | C6 | C5 | 1.0° | 0.0° |
| C7 | C2 | C1 | C3 | 178.8° | 179.8° |
| C7 | C2 | C3 | C4 | 1.2° | 0.5° |
| C2 | C7 | C6 | H2 | 179.0° | 180.0° |
| C2 | C7 | C8 | H4 | 89.8° | 90.0° |
| C2 | C7 | C8 | H5 | 30.2° | 30.0° |
| C2 | C7 | C8 | H6 | 150.2° | 150.0° |
| C7 | C2 | C3 | H12 | 178.7° | 179.8° |
| C7 | C2 | C1 | H14 | 90.5° | 89.9° |
| C7 | C2 | C1 | H15 | 149.4° | 150.0° |
| C7 | C2 | C1 | H16 | 29.4° | 30.0° |
| C6 | C5 | N1 | C9 | 26.1° | 39.3° |
| C6 | C5 | N1 | C4 | 177.9° | 179.9° |
| C6 | C5 | N1 | C30 | 172.0° | 152.3° |
| C6 | C5 | C4 | C3 | 1.4° | 0.2° |
| C6 | C5 | C4 | N4 | 179.9° | 179.9° |
| O1 | C9 | C10 | N1 | 112.7° | 118.7° |
| O1 | C9 | C10 | H7 | 126.3° | 122.6° |
| O1 | C9 | N1 | H7 | 124.1° | 122.7° |
| O1 | C9 | C10 | C11 | 79.9° | 94.3° |
| O1 | C9 | N1 | C5 | 129.5° | 163.8° |
| O1 | C9 | N1 | C30 | 80.1° | 77.6° |
| O1 | C9 | C10 | H8 | 39.4° | 146.9° |
| O1 | C9 | C10 | H9 | 160.8° | 24.5° |
| C10 | C9 | N1 | H7 | 119.9° | 118.7° |
| C9 | C10 | C11 | H8 | 119.3° | 118.8° |
| C9 | C10 | C11 | H9 | 119.3° | 118.9° |
| C10 | C9 | N1 | C5 | 114.5° | 77.6° |
| C10 | C9 | N1 | C30 | 35.9° | 41.1° |
| C9 | C10 | C11 | C30 | 18.5° | 0.6° |
| C9 | C10 | C11 | C12 | 156.3° | 118.2° |
| C9 | C10 | C11 | H3 | 91.1° | 119.4° |
| C9 | C10 | H8 | H9 | 122.1° | 122.3° |
| C10 | C9 | O1 | H46 | 80.9° | 61.4° |
| N1 | C9 | C10 | C11 | 32.8° | 24.4° |
| C9 | N1 | C5 | C30 | 145.9° | 113.1° |
| C9 | N1 | C5 | C4 | 156.0° | 140.8° |
| C9 | N1 | C30 | C11 | 24.0° | 41.6° |
| C9 | N1 | C30 | C31 | 79.7° | 75.1° |
| C9 | N1 | C30 | C33 | 165.0° | 161.1° |
| N1 | C9 | C10 | H8 | 152.1° | 94.4° |
| N1 | C9 | C10 | H9 | 86.5° | 143.3° |
| N1 | C9 | O1 | H46 | 30.2° | 176.2° |
| C1 | C2 | C3 | C4 | 180.0° | 179.8° |
| C1 | C2 | C3 | H12 | 0.0° | 0.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.1° |
| C2 | C1 | H14 | H16 | 120.0° | 119.9° |
| C2 | C1 | H15 | H16 | 120.0° | 120.0° |
| C10 | C11 | C30 | N1 | 2.1° | 25.7° |
| C10 | C11 | C30 | C12 | 128.8° | 118.8° |
| C10 | C11 | C30 | H3 | 109.8° | 118.9° |
| C10 | C11 | C12 | H3 | 112.5° | 122.5° |
| C10 | C11 | C30 | C31 | 107.9° | 92.3° |
| C10 | C11 | C30 | C33 | 133.8° | 145.9° |
| C10 | C11 | C12 | C13 | 44.7° | 158.3° |
| C10 | C11 | C12 | C29 | 127.8° | 20.9° |
| C11 | C10 | C9 | H7 | 153.7° | 143.1° |
| C11 | C10 | H8 | H9 | 122.0° | 122.2° |
| C2 | C3 | C4 | C5 | 1.4° | 0.4° |
| C2 | C3 | C4 | H12 | 180.0° | 179.7° |
| C2 | C3 | C4 | N4 | 179.9° | 179.8° |
| C3 | C2 | C1 | H14 | 90.7° | 90.3° |
| C3 | C2 | C1 | H15 | 29.4° | 29.7° |
| C3 | C2 | C1 | H16 | 149.4° | 149.7° |
| N1 | C5 | C4 | C3 | 179.1° | 179.9° |
| C5 | N1 | C30 | C11 | 124.1° | 74.1° |
| N1 | C5 | C4 | N4 | 2.3° | 0.2° |
| C5 | N1 | C30 | C31 | 132.2° | 169.1° |
| C5 | N1 | C30 | C33 | 16.9° | 45.3° |
| N1 | C5 | C6 | H2 | 0.9° | 0.2° |
| C5 | N1 | C9 | H7 | 5.4° | 41.1° |
| C4 | C5 | N1 | C30 | 10.1° | 27.8° |
| C5 | C4 | C3 | N4 | 178.5° | 179.8° |
| C5 | C4 | N4 | C33 | 3.9° | 7.8° |
| C5 | C4 | N4 | C34 | 171.6° | 172.2° |
| C4 | C5 | C6 | H2 | 178.8° | 179.9° |
| C5 | C4 | C3 | H12 | 178.6° | 179.8° |
| N1 | C30 | C31 | O2 | 23.4° | 43.7° |
| N1 | C30 | C11 | C31 | 109.9° | 117.9° |
| N1 | C30 | C11 | C33 | 131.7° | 120.2° |
| N1 | C30 | C11 | C12 | 126.7° | 93.1° |
| N1 | C30 | C31 | C33 | 118.1° | 124.2° |
| N1 | C30 | C31 | N2 | 158.8° | 136.3° |
| N1 | C30 | C33 | N4 | 18.0° | 40.4° |
| N1 | C30 | C33 | N3 | 159.5° | 136.9° |
| N1 | C30 | C11 | H3 | 111.9° | 144.6° |
| C30 | N1 | C9 | H7 | 155.8° | 159.8° |
| O2 | C31 | C30 | C11 | 85.0° | 70.6° |
| O2 | C31 | C30 | N2 | 177.8° | 180.0° |
| O2 | C31 | C30 | C33 | 141.5° | 167.9° |
| O2 | C31 | N2 | C32 | 164.7° | 177.4° |
| O2 | C31 | N2 | H11 | 15.3° | 2.5° |
| C3 | C4 | N4 | C33 | 177.6° | 171.9° |
| C3 | C4 | N4 | C34 | 6.9° | 8.0° |
| C30 | C11 | C12 | H3 | 121.2° | 122.4° |
| C11 | C30 | C31 | C33 | 133.6° | 121.5° |
| C30 | C11 | C12 | C13 | 81.7° | 86.6° |
| C11 | C30 | C31 | N2 | 92.9° | 109.4° |
| C30 | C11 | C12 | C29 | 105.9° | 94.3° |
| C11 | C30 | C33 | N4 | 111.6° | 75.6° |
| C11 | C30 | C33 | N3 | 70.9° | 107.1° |
| C30 | C11 | C10 | H8 | 137.8° | 119.3° |
| C30 | C11 | C10 | H9 | 100.8° | 118.4° |
| C12 | C11 | C30 | C31 | 123.3° | 149.0° |
| C12 | C11 | C30 | C33 | 5.0° | 27.1° |
| C11 | C12 | C13 | C29 | 173.1° | 179.2° |
| C11 | C12 | C13 | C14 | 177.8° | 179.7° |
| C11 | C12 | C29 | C28 | 176.6° | 179.9° |
| C12 | C11 | C10 | H8 | 84.4° | 0.6° |
| C12 | C11 | C10 | H9 | 37.0° | 122.9° |
| C11 | C12 | C13 | H10 | 2.2° | 0.3° |
| C11 | C12 | C29 | H27 | 3.4° | 0.8° |
| C4 | N4 | C33 | C30 | 12.7° | 13.3° |
| C4 | N4 | C33 | C34 | 175.5° | 179.9° |
| C4 | N4 | C33 | N3 | 164.7° | 164.0° |
| C4 | N4 | C34 | C35 | 86.7° | 90.0° |
| N4 | C4 | C3 | H12 | 0.1° | 0.1° |
| C4 | N4 | C34 | H29 | 152.6° | 30.0° |
| C4 | N4 | C34 | H30 | 34.1° | 150.0° |
| C31 | C30 | C33 | N4 | 133.5° | 163.9° |
| C31 | C30 | C33 | N3 | 43.9° | 13.4° |
| C30 | C31 | N2 | C32 | 17.4° | 2.6° |
| C31 | C30 | C11 | H3 | 1.9° | 26.6° |
| C30 | C31 | N2 | H11 | 162.5° | 177.5° |
| C33 | C30 | C31 | N2 | 40.7° | 12.1° |
| C30 | C33 | N4 | N3 | 177.4° | 177.3° |
| C30 | C33 | N4 | C34 | 162.8° | 166.6° |
| C30 | C33 | N3 | C32 | 20.3° | 5.0° |
| C33 | C30 | C11 | H3 | 116.4° | 95.2° |
| C12 | C13 | C14 | H10 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 2.6° | 0.1° |
| C13 | C12 | C29 | C28 | 4.5° | 0.8° |
| C12 | C13 | C14 | H1 | 177.4° | 179.7° |
| C13 | C12 | C11 | H3 | 157.1° | 35.8° |
| C13 | C12 | C29 | H27 | 175.6° | 179.9° |
| C14 | C13 | C12 | C29 | 4.7° | 0.5° |
| C13 | C14 | C15 | H1 | 180.0° | 179.7° |
| C13 | C14 | C15 | C28 | 0.2° | 0.2° |
| C13 | C14 | C15 | C16 | 178.7° | 179.7° |
| C31 | N2 | C32 | H11 | 180.0° | 180.0° |
| C31 | N2 | C32 | N3 | 11.1° | 7.6° |
| C31 | N2 | C32 | O3 | 170.6° | 172.3° |
| C12 | C29 | C28 | H27 | 180.0° | 179.3° |
| C12 | C29 | C28 | C15 | 2.2° | 0.5° |
| C29 | C12 | C11 | H3 | 15.3° | 143.4° |
| C29 | C12 | C13 | H10 | 175.3° | 179.5° |
| C12 | C29 | C28 | H26 | 177.8° | 179.5° |
| C14 | C15 | C28 | C29 | 0.0° | 0.0° |
| C14 | C15 | C28 | C16 | 178.9° | 179.9° |
| C14 | C15 | C16 | C27 | 135.3° | 180.0° |
| C14 | C15 | C16 | C17 | 37.3° | 0.4° |
| C15 | C14 | C13 | H10 | 177.3° | 180.0° |
| C14 | C15 | C28 | H26 | 180.0° | 179.9° |
| C33 | N4 | C34 | C35 | 97.7° | 90.1° |
| N4 | C33 | N3 | C32 | 157.2° | 172.3° |
| C33 | N4 | C34 | H29 | 23.0° | 150.0° |
| C33 | N4 | C34 | H30 | 141.5° | 29.9° |
| C34 | N4 | C33 | N3 | 19.8° | 16.1° |
| N4 | C34 | C35 | O4 | 52.8° | 60.0° |
| N4 | C34 | C35 | H29 | 120.7° | 120.0° |
| N4 | C34 | C35 | H30 | 120.7° | 120.0° |
| N4 | C34 | C35 | C36 | 167.7° | 180.0° |
| N4 | C34 | H29 | H30 | 117.8° | 120.1° |
| N4 | C34 | C35 | H31 | 69.9° | 60.0° |
| C33 | N3 | C32 | N2 | 9.9° | 6.5° |
| C33 | N3 | C32 | O3 | 171.8° | 173.5° |
| C29 | C28 | C15 | H26 | 180.0° | 179.9° |
| C29 | C28 | C15 | C16 | 178.9° | 179.9° |
| N2 | C32 | N3 | O3 | 178.3° | 179.9° |
| C28 | C15 | C16 | C27 | 43.6° | 0.1° |
| C28 | C15 | C16 | C17 | 143.8° | 179.7° |
| C28 | C15 | C14 | H1 | 179.8° | 180.0° |
| C15 | C28 | C29 | H27 | 177.9° | 179.8° |
| C15 | C16 | C27 | C17 | 172.7° | 179.6° |
| C15 | C16 | C27 | C20 | 177.3° | 179.8° |
| C15 | C16 | C17 | C18 | 177.3° | 179.9° |
| C16 | C15 | C14 | H1 | 1.3° | 0.0° |
| C15 | C16 | C17 | H17 | 2.7° | 0.1° |
| C15 | C16 | C27 | H25 | 2.7° | 0.1° |
| C16 | C15 | C28 | H26 | 1.1° | 0.0° |
| O4 | C35 | C34 | C36 | 114.9° | 120.1° |
| O4 | C35 | C34 | H31 | 122.6° | 119.9° |
| O4 | C35 | C36 | H31 | 122.1° | 120.0° |
| O4 | C35 | C36 | O5 | 153.0° | 180.0° |
| O4 | C35 | C36 | C37 | 88.0° | 60.0° |
| O4 | C35 | C34 | H29 | 173.5° | 60.1° |
| O4 | C35 | C34 | H30 | 68.0° | 180.0° |
| O4 | C35 | C36 | H32 | 33.2° | 60.0° |
| C16 | C27 | C20 | H25 | 180.0° | 179.7° |
| C27 | C16 | C17 | C18 | 4.3° | 0.3° |
| C16 | C27 | C20 | C21 | 178.1° | 179.7° |
| C16 | C27 | C20 | C19 | 2.6° | 0.5° |
| C27 | C16 | C17 | H17 | 175.6° | 179.7° |
| C17 | C16 | C27 | C20 | 4.6° | 0.5° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 2.0° | 0.0° |
| C16 | C17 | C18 | H18 | 178.0° | 179.9° |
| C17 | C16 | C27 | H25 | 175.4° | 179.7° |
| C34 | C35 | C36 | H31 | 122.6° | 120.0° |
| C34 | C35 | C36 | O5 | 37.7° | 60.0° |
| C34 | C35 | C36 | C37 | 156.7° | 180.0° |
| C35 | C34 | H29 | H30 | 117.9° | 119.9° |
| C34 | C35 | C36 | H32 | 82.1° | 60.0° |
| C34 | C35 | O4 | H50 | 180.0° | 60.1° |
| C27 | C20 | C21 | C19 | 179.3° | 179.8° |
| C27 | C20 | C21 | C26 | 154.2° | 0.1° |
| C27 | C20 | C21 | C22 | 27.1° | 179.8° |
| C27 | C20 | C19 | C18 | 0.1° | 0.2° |
| C27 | C20 | C19 | H19 | 179.9° | 179.8° |
| N3 | C32 | N2 | H11 | 168.9° | 172.4° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| O3 | C32 | N2 | H11 | 9.4° | 7.7° |
| C20 | C21 | C26 | C22 | 178.8° | 179.7° |
| C20 | C21 | C26 | C25 | 179.9° | 179.7° |
| C21 | C20 | C19 | C18 | 179.5° | 180.0° |
| C20 | C21 | C22 | C23 | 179.9° | 179.9° |
| C21 | C20 | C19 | H19 | 0.5° | 0.0° |
| C20 | C21 | C22 | H20 | 0.1° | 0.0° |
| C20 | C21 | C26 | H24 | 0.1° | 0.1° |
| C21 | C20 | C27 | H25 | 1.9° | 0.1° |
| C19 | C20 | C21 | C26 | 25.1° | 179.7° |
| C19 | C20 | C21 | C22 | 153.6° | 0.0° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | H18 | 179.9° | 180.0° |
| C19 | C20 | C27 | H25 | 177.4° | 179.8° |
| C21 | C26 | C25 | H24 | 180.0° | 179.7° |
| C21 | C26 | C25 | C24 | 0.8° | 0.6° |
| C26 | C21 | C22 | C23 | 1.1° | 0.2° |
| C26 | C21 | C22 | H20 | 178.9° | 179.7° |
| C21 | C26 | C25 | H23 | 179.2° | 179.7° |
| C25 | C26 | C21 | C22 | 1.3° | 0.6° |
| C26 | C25 | C24 | H23 | 180.0° | 179.6° |
| C26 | C25 | C24 | C23 | 0.0° | 0.3° |
| C26 | C25 | C24 | H22 | 180.0° | 179.7° |
| C35 | C36 | O5 | C37 | 124.2° | 120.0° |
| C35 | C36 | O5 | H32 | 118.5° | 120.0° |
| C35 | C36 | C37 | H32 | 121.2° | 120.0° |
| C35 | C36 | C37 | O6 | 54.6° | 60.0° |
| C35 | C36 | C37 | C38 | 174.3° | 180.0° |
| C36 | C35 | C34 | H29 | 71.6° | 60.0° |
| C36 | C35 | C34 | H30 | 47.0° | 59.9° |
| C35 | C36 | C37 | H33 | 65.1° | 60.0° |
| C36 | C35 | O4 | H50 | 61.7° | 60.0° |
| C35 | C36 | O5 | H51 | 180.0° | 60.0° |
| C21 | C22 | C23 | H20 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C21 | C22 | C23 | H21 | 179.7° | 180.0° |
| C22 | C21 | C26 | H24 | 178.7° | 179.7° |
| C19 | C18 | C17 | H17 | 177.9° | 180.0° |
| C25 | C24 | C23 | C22 | 0.2° | 0.0° |
| C25 | C24 | C23 | H22 | 180.0° | 179.9° |
| C25 | C24 | C23 | H21 | 179.7° | 179.9° |
| C24 | C25 | C26 | H24 | 179.2° | 179.7° |
| C22 | C23 | C24 | H21 | 180.0° | 179.9° |
| C22 | C23 | C24 | H22 | 179.7° | 180.0° |
| C24 | C23 | C22 | H20 | 179.7° | 180.0° |
| C23 | C24 | C25 | H23 | 180.0° | 180.0° |
| O15 | C47 | C48 | C41 | 117.1° | 118.2° |
| O15 | C47 | C48 | H42 | 126.0° | 123.6° |
| O15 | C47 | C41 | H42 | 124.9° | 123.6° |
| O15 | C47 | C48 | O16 | 25.6° | 20.4° |
| O15 | C47 | C48 | C40 | 142.7° | 139.1° |
| O15 | C47 | C41 | N5 | 82.3° | 86.2° |
| O15 | C47 | C41 | O14 | 160.9° | 155.2° |
| O15 | C47 | C41 | H39 | 42.1° | 36.7° |
| O15 | C47 | C48 | H43 | 99.1° | 102.3° |
| O5 | C36 | C37 | H32 | 118.7° | 120.0° |
| O5 | C36 | C37 | O6 | 174.6° | NaN° |
| O5 | C36 | C37 | C38 | 65.6° | 60.0° |
| O5 | C36 | C35 | H31 | 85.0° | 60.0° |
| O5 | C36 | C37 | H33 | 55.0° | 60.0° |
| C36 | C37 | O6 | C38 | 121.3° | 120.0° |
| C36 | C37 | O6 | H33 | 118.7° | 120.0° |
| C36 | C37 | C38 | H33 | 120.5° | 120.0° |
| C36 | C37 | C38 | O7 | 148.8° | 175.0° |
| C37 | C36 | C35 | H31 | 34.0° | 60.0° |
| C36 | C37 | C38 | H34 | 90.5° | 55.0° |
| C36 | C37 | C38 | H35 | 28.1° | 65.0° |
| C37 | C36 | O5 | H51 | 55.9° | 60.0° |
| C36 | C37 | O6 | H52 | 180.0° | 60.0° |
| C48 | C47 | C41 | H42 | 116.8° | 118.2° |
| C47 | C48 | O16 | C40 | 114.4° | 114.8° |
| C47 | C48 | O16 | H43 | 123.8° | 122.6° |
| C47 | C48 | C40 | H43 | 118.2° | 118.6° |
| C48 | C47 | C41 | N5 | 159.3° | 155.6° |
| C48 | C47 | C41 | O14 | 42.5° | 37.0° |
| C47 | C48 | C40 | O14 | 1.2° | 2.0° |
| C47 | C48 | C40 | C39 | 117.7° | 121.5° |
| C47 | C48 | C40 | H38 | 119.3° | 117.5° |
| C48 | C47 | C41 | H39 | 76.2° | 81.5° |
| C48 | C47 | O15 | H48 | 180.0° | 61.4° |
| C47 | C48 | O16 | H49 | 180.0° | 61.4° |
| C47 | C41 | N5 | C42 | 39.2° | 90.6° |
| C41 | C47 | C48 | O16 | 91.5° | 97.8° |
| C41 | C47 | C48 | C40 | 25.6° | 20.9° |
| C47 | C41 | N5 | O14 | 114.0° | 114.1° |
| C47 | C41 | N5 | H39 | 124.0° | 123.0° |
| C47 | C41 | N5 | C46 | 139.2° | 89.4° |
| C47 | C41 | O14 | H39 | 117.5° | 118.5° |
| C47 | C41 | O14 | C40 | 44.2° | 40.1° |
| C41 | C47 | C48 | H43 | 143.8° | 139.5° |
| C41 | C47 | O15 | H48 | 69.0° | 174.1° |
| O11 | P2 | O12 | O13 | 126.4° | 120.0° |
| O11 | P2 | O12 | O10 | 126.8° | 120.0° |
| O11 | P2 | O13 | O10 | 114.7° | 120.0° |
| O11 | P2 | O13 | C39 | 35.1° | 55.0° |
| O11 | P2 | O10 | P1 | 145.9° | 40.0° |
| O11 | P2 | O12 | H47 | 0.0° | 180.0° |
| O6 | C37 | C38 | H33 | 120.7° | 120.0° |
| O6 | C37 | C38 | O7 | 30.0° | 65.0° |
| O6 | C37 | C36 | H32 | 66.7° | 60.0° |
| O6 | C37 | C38 | H34 | 150.7° | 175.0° |
| O6 | C37 | C38 | H35 | 90.6° | 54.9° |
| N6 | C42 | N5 | H40 | 180.0° | 179.8° |
| N6 | C42 | N5 | C41 | 178.9° | 179.9° |
| N6 | C42 | N5 | C46 | 0.3° | 0.0° |
| C42 | N6 | C43 | C46 | 0.3° | 0.1° |
| C42 | N6 | C43 | C44 | 179.9° | 180.0° |
| N5 | C42 | N6 | C43 | 0.0° | 0.0° |
| C42 | N5 | C41 | C46 | 178.4° | 179.9° |
| C42 | N5 | C41 | O14 | 74.8° | 23.6° |
| C42 | N5 | C46 | C43 | 0.4° | 0.0° |
| C42 | N5 | C46 | N9 | 179.2° | 179.9° |
| C42 | N5 | C41 | H39 | 163.1° | 146.4° |
| N6 | C43 | C46 | N5 | 0.4° | 0.1° |
| N6 | C43 | C46 | C44 | 179.7° | 179.9° |
| N6 | C43 | C44 | N7 | 0.7° | 0.0° |
| N6 | C43 | C46 | N9 | 179.1° | 180.0° |
| N6 | C43 | C44 | N8 | 179.8° | 180.0° |
| C43 | N6 | C42 | H40 | 180.0° | 179.7° |
| O16 | C48 | C40 | H43 | 122.9° | 122.7° |
| O16 | C48 | C40 | O14 | 117.7° | 120.7° |
| O16 | C48 | C40 | C39 | 123.5° | 119.8° |
| O16 | C48 | C40 | H38 | 0.4° | 1.2° |
| O16 | C48 | C47 | H42 | 151.7° | 144.0° |
| C48 | C40 | O14 | C41 | 26.8° | 26.5° |
| C48 | C40 | O14 | C39 | 123.1° | 119.4° |
| C48 | C40 | O14 | H38 | 117.2° | 119.6° |
| C48 | C40 | C39 | H38 | 122.8° | 121.1° |
| C48 | C40 | C39 | O13 | 60.2° | 175.7° |
| C48 | C40 | C39 | H36 | 59.5° | 55.7° |
| C48 | C40 | C39 | H37 | 179.9° | 64.3° |
| C40 | C48 | C47 | H42 | 91.3° | 97.3° |
| C40 | C48 | O16 | H49 | 65.7° | 176.2° |
| O12 | P2 | O13 | O10 | 111.3° | 120.0° |
| O12 | P2 | O13 | C39 | 169.1° | 65.0° |
| O12 | P2 | O10 | P1 | 11.7° | 80.0° |
| C37 | C38 | O7 | H34 | 120.7° | 120.0° |
| C37 | C38 | O7 | H35 | 120.7° | 120.0° |
| C37 | C38 | O7 | P1 | 172.0° | 180.0° |
| C38 | C37 | C36 | H32 | 53.1° | 60.0° |
| C37 | C38 | H34 | H35 | 117.9° | 120.1° |
| C38 | C37 | O6 | H52 | 58.7° | 60.0° |
| N5 | C41 | O14 | H39 | 121.5° | 122.8° |
| C41 | N5 | C46 | C43 | 179.1° | 180.0° |
| C41 | N5 | C46 | N9 | 0.5° | 0.1° |
| N5 | C41 | O14 | C40 | 165.2° | 158.7° |
| C41 | N5 | C42 | H40 | 1.1° | 0.3° |
| N5 | C41 | C47 | H42 | 42.6° | 37.4° |
| C46 | N5 | C41 | O14 | 106.8° | 156.5° |
| N5 | C46 | C43 | N9 | 179.6° | 179.9° |
| N5 | C46 | C43 | C44 | 179.9° | 180.0° |
| N5 | C46 | N9 | C45 | 179.5° | 180.0° |
| C46 | N5 | C41 | H39 | 15.3° | 33.6° |
| C46 | N5 | C42 | H40 | 179.7° | 179.8° |
| P2 | O13 | C39 | C40 | 137.9° | 180.0° |
| O13 | P2 | O10 | P1 | 99.4° | 160.0° |
| P2 | O13 | C39 | H36 | 18.2° | 60.0° |
| P2 | O13 | C39 | H37 | 102.4° | 60.0° |
| O13 | P2 | O12 | H47 | 126.4° | 60.0° |
| O10 | P2 | O13 | C39 | 79.6° | 175.0° |
| P2 | O10 | P1 | O7 | 42.2° | 160.0° |
| P2 | O10 | P1 | O8 | 156.3° | 40.0° |
| P2 | O10 | P1 | O9 | 73.6° | 80.0° |
| O10 | P2 | O12 | H47 | 126.8° | 60.0° |
| C41 | O14 | C40 | C39 | 149.9° | 145.9° |
| C41 | O14 | C40 | H38 | 90.5° | 93.1° |
| O14 | C41 | C47 | H42 | 74.2° | 81.2° |
| C46 | C43 | C44 | N7 | 179.7° | 179.9° |
| C46 | C43 | C44 | N8 | 0.2° | 0.1° |
| C43 | C46 | N9 | C45 | 1.0° | 0.1° |
| C43 | C44 | N7 | N8 | 179.5° | 180.0° |
| C44 | C43 | C46 | N9 | 0.5° | 0.1° |
| C43 | C44 | N8 | C45 | 0.4° | 0.0° |
| C43 | C44 | N7 | H44 | 179.5° | 0.0° |
| C43 | C44 | N7 | H45 | 59.5° | 180.0° |
| N7 | C44 | N8 | C45 | 179.9° | 180.0° |
| C44 | N7 | H44 | H45 | 120.0° | 180.0° |
| C46 | N9 | C45 | N8 | 0.9° | 0.0° |
| C46 | N9 | C45 | H41 | 179.1° | 180.0° |
| C38 | O7 | P1 | O10 | 100.2° | 175.0° |
| C38 | O7 | P1 | O8 | 13.8° | 55.0° |
| C38 | O7 | P1 | O9 | 141.0° | 65.0° |
| O7 | C38 | C37 | H33 | 90.7° | 55.0° |
| O7 | C38 | H34 | H35 | 117.8° | 119.9° |
| C44 | N8 | C45 | N9 | 0.2° | 0.0° |
| C44 | N8 | C45 | H41 | 179.8° | 180.0° |
| N8 | C44 | N7 | H44 | 0.0° | 180.0° |
| N8 | C44 | N7 | H45 | 120.0° | 0.0° |
| O14 | C40 | C39 | H38 | 120.2° | 121.0° |
| O14 | C40 | C39 | O13 | 177.1° | 66.4° |
| O14 | C40 | C39 | H36 | 57.4° | 173.6° |
| O14 | C40 | C39 | H37 | 63.2° | 53.5° |
| C40 | O14 | C41 | H39 | 73.3° | 78.5° |
| O14 | C40 | C48 | H43 | 119.4° | 116.6° |
| C40 | C39 | O13 | H36 | 119.7° | 120.0° |
| C40 | C39 | O13 | H37 | 119.7° | 120.0° |
| C40 | C39 | H36 | H37 | 120.9° | 120.0° |
| C39 | C40 | C48 | H43 | 0.6° | 2.8° |
| O13 | C39 | H36 | H37 | 120.9° | 120.0° |
| O13 | C39 | C40 | H38 | 62.7° | 54.6° |
| O7 | P1 | O10 | O8 | 114.0° | 120.0° |
| O7 | P1 | O10 | O9 | 115.8° | 120.0° |
| O7 | P1 | O8 | O9 | 122.2° | 120.0° |
| P1 | O7 | C38 | H34 | 51.3° | 60.0° |
| P1 | O7 | C38 | H35 | 67.3° | 60.0° |
| O7 | P1 | O9 | H53 | 122.2° | 59.9° |
| O10 | P1 | O8 | O9 | 127.7° | 120.0° |
| O10 | P1 | O9 | H53 | 125.6° | 60.0° |
| N9 | C45 | N8 | H41 | 180.0° | 180.0° |
| O8 | P1 | O9 | H53 | 0.0° | 180.0° |
| H1 | C14 | C13 | H10 | 2.7° | 0.3° |
| H3 | C11 | C10 | H8 | 28.2° | 121.8° |
| H3 | C11 | C10 | H9 | 149.6° | 0.5° |
| H4 | C8 | H5 | H6 | 120.0° | 120.0° |
| H7 | C9 | C10 | H8 | 87.0° | 24.3° |
| H7 | C9 | C10 | H9 | 34.4° | 98.0° |
| H7 | C9 | O1 | H46 | 153.9° | 61.1° |
| H14 | C1 | H15 | H16 | 120.0° | 120.0° |
| H17 | C17 | C18 | H18 | 2.1° | 0.1° |
| H18 | C18 | C19 | H19 | 0.1° | 0.0° |
| H20 | C22 | C23 | H21 | 0.3° | 0.1° |
| H21 | C23 | C24 | H22 | 0.3° | 0.0° |
| H22 | C24 | C25 | H23 | 0.0° | 0.1° |
| H23 | C25 | C26 | H24 | 0.8° | 0.0° |
| H26 | C28 | C29 | H27 | 2.1° | 0.2° |
| H29 | C34 | C35 | H31 | 50.8° | 180.0° |
| H30 | C34 | C35 | H31 | 169.4° | 60.1° |
| H31 | C35 | C36 | H32 | 155.2° | 180.0° |
| H31 | C35 | O4 | H50 | 58.7° | 180.0° |
| H32 | C36 | C37 | H33 | 173.7° | 180.0° |
| H32 | C36 | O5 | H51 | 61.5° | 180.0° |
| H33 | C37 | C38 | H34 | 30.0° | 65.0° |
| H33 | C37 | C38 | H35 | 148.6° | 174.9° |
| H33 | C37 | O6 | H52 | 61.3° | 180.0° |
| H36 | C39 | C40 | H38 | 177.6° | 65.4° |
| H37 | C39 | C40 | H38 | 57.0° | 174.5° |
| H38 | C40 | C48 | H43 | 122.5° | 123.8° |
| H39 | C41 | C47 | H42 | 167.0° | 160.3° |
| H42 | C47 | C48 | H43 | 26.9° | 21.3° |
| H42 | C47 | O15 | H48 | 55.0° | 62.2° |
| H43 | C48 | O16 | H49 | 56.2° | 61.2° |
