7QB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | O1 | sing | 1.43Å | 1.44Å | |
| C44 | C41 | sing | 1.53Å | 1.53Å | |
| C42 | C41 | sing | 1.53Å | 1.53Å | |
| O1 | C16 | sing | 1.36Å | 1.37Å | |
| C41 | C43 | sing | 1.53Å | 1.53Å | |
| C41 | C22 | sing | 1.53Å | 1.56Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.55Å | 1.52Å | |
| C24 | N6 | sing | 1.47Å | 1.46Å | |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | N5 | sing | 1.47Å | 1.46Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C46 | C45 | sing | 1.53Å | 1.50Å | |
| C46 | N3 | sing | 1.47Å | 1.47Å | |
| N9 | C47 | doub | 1.32Å | 1.34Å | Aromatic |
| N9 | C10 | sing | 1.33Å | 1.34Å | Aromatic |
| N2 | C11 | sing | 1.40Å | 1.39Å | |
| N2 | C10 | sing | 1.39Å | 1.38Å | |
| C45 | N4 | sing | 1.47Å | 1.46Å | |
| C25 | C26 | sing | 1.55Å | 1.52Å | |
| C25 | O4 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| N6 | C23 | sing | 1.35Å | 1.35Å | |
| N6 | C27 | sing | 1.47Å | 1.47Å | |
| N5 | C21 | sing | 1.35Å | 1.35Å | |
| O5 | C28 | doub | 1.21Å | 1.23Å | |
| C47 | C48 | sing | 1.38Å | 1.38Å | Aromatic |
| O2 | C21 | doub | 1.21Å | 1.23Å | |
| C23 | O3 | doub | 1.21Å | 1.21Å | |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | N3 | sing | 1.40Å | 1.40Å | |
| C14 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| C26 | C27 | sing | 1.54Å | 1.54Å | |
| N3 | C18 | sing | 1.47Å | 1.47Å | |
| S | C38 | sing | 1.71Å | 1.72Å | Aromatic |
| S | C37 | sing | 1.76Å | 1.70Å | Aromatic |
| N4 | C20 | sing | 1.47Å | 1.46Å | |
| N4 | C19 | sing | 1.47Å | 1.46Å | |
| C38 | N8 | doub | 1.29Å | 1.29Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| F | C49 | sing | 1.40Å | 1.32Å | |
| C28 | N7 | sing | 1.35Å | 1.33Å | |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C48 | C49 | sing | 1.51Å | 1.51Å | |
| C48 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| N8 | C39 | sing | 1.31Å | 1.38Å | Aromatic |
| C37 | C34 | sing | 1.48Å | 1.48Å | |
| C37 | C39 | doub | 1.35Å | 1.37Å | Aromatic |
| C49 | F1 | sing | 1.40Å | 1.35Å | |
| C49 | F2 | sing | 1.40Å | 1.36Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C8 | N1 | sing | 1.39Å | 1.39Å | |
| C34 | C35 | doub | 1.40Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.40Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C39 | C40 | sing | 1.51Å | 1.49Å | |
| C36 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| N7 | C29 | sing | 1.46Å | 1.46Å | |
| C31 | C29 | sing | 1.51Å | 1.51Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| N1 | C7 | sing | 1.39Å | 1.41Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C2 | sing | 1.40Å | 1.42Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.47Å | 1.50Å | |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| O | C1 | doub | 1.22Å | 1.22Å | |
| C1 | N | sing | 1.35Å | 1.33Å | |
| N | C | sing | 1.47Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.08Å | 1.08Å | |
| N | H18 | sing | 0.97Å | 1.00Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C47 | H22 | sing | 1.08Å | 1.08Å | |
| C9 | H23 | sing | 1.08Å | 1.08Å | |
| N2 | H24 | sing | 0.97Å | 1.00Å | |
| C12 | H25 | sing | 1.08Å | 1.08Å | |
| C46 | H26 | sing | 1.09Å | 1.10Å | |
| C46 | H27 | sing | 1.09Å | 1.10Å | |
| C45 | H28 | sing | 1.09Å | 1.10Å | |
| C45 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| N5 | H35 | sing | 0.97Å | 1.00Å | |
| C44 | H36 | sing | 1.09Å | 1.10Å | |
| C44 | H37 | sing | 1.09Å | 1.10Å | |
| C44 | H38 | sing | 1.09Å | 1.10Å | |
| C43 | H39 | sing | 1.09Å | 1.10Å | |
| C43 | H40 | sing | 1.09Å | 1.10Å | |
| C43 | H41 | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H43 | sing | 1.09Å | 1.10Å | |
| C42 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| O4 | H47 | sing | 0.97Å | 0.95Å | |
| N7 | H48 | sing | 0.97Å | 1.00Å | |
| C29 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C30 | H51 | sing | 1.09Å | 1.10Å | |
| C30 | H52 | sing | 1.09Å | 1.10Å | |
| C36 | H53 | sing | 1.08Å | 1.08Å | |
| C35 | H54 | sing | 1.08Å | 1.08Å | |
| C33 | H55 | sing | 1.08Å | 1.08Å | |
| C32 | H56 | sing | 1.08Å | 1.08Å | |
| C40 | H57 | sing | 1.09Å | 1.10Å | |
| C40 | H58 | sing | 1.09Å | 1.10Å | |
| C40 | H59 | sing | 1.09Å | 1.10Å | |
| C38 | H60 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | O1 | C16 | 118.2° | 117.0° |
| O1 | C17 | H7 | 109.5° | 109.5° |
| O1 | C17 | H8 | 109.5° | 109.5° |
| O1 | C17 | H9 | 109.5° | 109.5° |
| C44 | C41 | C42 | 109.0° | 109.5° |
| C44 | C41 | C43 | 108.9° | 109.5° |
| C44 | C41 | C22 | 109.1° | 109.4° |
| C41 | C44 | H36 | 109.5° | 109.5° |
| C41 | C44 | H37 | 109.5° | 109.5° |
| C41 | C44 | H38 | 109.5° | 109.5° |
| C42 | C41 | C43 | 108.1° | 109.5° |
| C42 | C41 | C22 | 111.4° | 109.5° |
| C41 | C42 | H42 | 109.5° | 109.5° |
| C41 | C42 | H43 | 109.4° | 109.5° |
| C41 | C42 | H44 | 109.5° | 109.5° |
| O1 | C16 | C15 | 125.0° | 120.0° |
| O1 | C16 | C11 | 114.4° | 120.1° |
| C43 | C41 | C22 | 110.2° | 109.5° |
| C41 | C43 | H39 | 109.5° | 109.5° |
| C41 | C43 | H40 | 109.5° | 109.4° |
| C41 | C43 | H41 | 109.5° | 109.5° |
| C41 | C22 | N5 | 111.2° | 109.4° |
| C41 | C22 | C23 | 112.6° | 109.4° |
| C41 | C22 | H12 | 108.0° | 109.5° |
| C15 | C16 | C11 | 120.6° | 119.9° |
| C16 | C15 | C14 | 120.7° | 119.9° |
| C16 | C15 | H6 | 119.7° | 120.0° |
| C16 | C11 | N2 | 116.4° | 120.0° |
| C16 | C11 | C12 | 119.2° | 120.0° |
| C25 | C24 | N6 | 102.9° | 104.8° |
| C24 | C25 | C26 | 102.9° | 101.6° |
| C24 | C25 | O4 | 113.6° | 111.0° |
| C25 | C24 | H13 | 111.1° | 110.4° |
| C25 | C24 | H14 | 111.1° | 110.4° |
| C24 | C25 | H46 | 110.1° | 110.9° |
| C24 | N6 | C23 | 132.6° | 125.6° |
| C24 | N6 | C27 | 111.5° | 108.7° |
| N6 | C24 | H13 | 111.1° | 110.3° |
| N6 | C24 | H14 | 111.1° | 110.4° |
| C15 | C14 | N3 | 120.6° | 120.0° |
| C15 | C14 | C13 | 118.2° | 120.0° |
| C14 | C15 | H6 | 119.6° | 120.0° |
| N5 | C22 | C23 | 107.6° | 109.5° |
| C22 | N5 | C21 | 124.9° | 120.0° |
| N5 | C22 | H12 | 109.3° | 109.5° |
| C22 | N5 | H35 | 117.6° | 120.0° |
| C22 | C23 | N6 | 119.7° | 120.0° |
| C22 | C23 | O3 | 119.0° | 120.0° |
| C23 | C22 | H12 | 108.2° | 109.5° |
| C45 | C46 | N3 | 111.1° | 109.4° |
| C46 | C45 | N4 | 109.9° | 109.3° |
| C45 | C46 | H26 | 109.1° | 109.5° |
| C45 | C46 | H27 | 109.1° | 109.5° |
| C46 | C45 | H28 | 109.4° | 109.5° |
| C46 | C45 | H29 | 109.4° | 109.4° |
| C46 | N3 | C14 | 115.5° | 111.0° |
| C46 | N3 | C18 | 113.8° | 110.8° |
| N3 | C46 | H26 | 109.1° | 109.4° |
| N3 | C46 | H27 | 109.1° | 109.5° |
| C47 | N9 | C10 | 118.1° | 121.7° |
| N9 | C47 | C48 | 123.5° | 121.0° |
| N9 | C47 | H22 | 118.3° | 119.5° |
| N9 | C10 | N2 | 114.9° | 119.6° |
| N9 | C10 | C9 | 123.2° | 120.7° |
| C11 | N2 | C10 | 130.0° | 120.0° |
| N2 | C11 | C12 | 123.8° | 120.0° |
| C11 | N2 | H24 | 115.0° | 120.0° |
| N2 | C10 | C9 | 121.5° | 119.7° |
| C10 | N2 | H24 | 115.0° | 120.0° |
| C45 | N4 | C20 | 112.0° | 111.0° |
| C45 | N4 | C19 | 107.7° | 110.9° |
| N4 | C45 | H28 | 109.3° | 109.5° |
| N4 | C45 | H29 | 109.4° | 109.5° |
| C26 | C25 | O4 | 108.5° | 111.0° |
| C25 | C26 | C27 | 103.6° | 102.9° |
| C25 | C26 | H15 | 110.9° | 110.7° |
| C25 | C26 | H16 | 110.9° | 110.8° |
| C26 | C25 | H46 | 110.1° | 111.0° |
| O4 | C25 | H46 | 111.4° | 110.9° |
| C25 | O4 | H47 | 109.5° | 114.0° |
| C11 | C12 | C13 | 120.2° | 120.0° |
| C11 | C12 | H25 | 119.9° | 120.0° |
| C23 | N6 | C27 | 115.8° | 125.7° |
| N6 | C23 | O3 | 121.3° | 120.0° |
| N6 | C27 | C26 | 103.8° | 107.3° |
| N6 | C27 | C28 | 114.0° | 109.9° |
| N6 | C27 | H45 | 110.8° | 109.9° |
| N5 | C21 | O2 | 123.9° | 120.0° |
| N5 | C21 | C20 | 115.8° | 120.0° |
| C21 | N5 | H35 | 117.6° | 120.0° |
| O5 | C28 | C27 | 121.5° | 120.0° |
| O5 | C28 | N7 | 124.1° | 120.0° |
| C47 | C48 | C49 | 121.0° | 120.4° |
| C47 | C48 | C8 | 118.0° | 119.2° |
| C48 | C47 | H22 | 118.3° | 119.5° |
| O2 | C21 | C20 | 120.2° | 120.0° |
| C10 | C9 | C8 | 117.8° | 119.0° |
| C10 | C9 | H23 | 121.1° | 120.4° |
| N3 | C14 | C13 | 121.0° | 120.0° |
| C14 | N3 | C18 | 118.4° | 111.0° |
| C14 | C13 | C12 | 121.0° | 120.1° |
| C14 | C13 | H5 | 119.5° | 119.9° |
| C21 | C20 | N4 | 112.8° | 109.5° |
| C21 | C20 | H10 | 108.6° | 109.5° |
| C21 | C20 | H11 | 108.6° | 109.5° |
| C26 | C27 | C28 | 108.0° | 109.9° |
| C27 | C26 | H15 | 110.9° | 110.8° |
| C27 | C26 | H16 | 110.9° | 110.7° |
| C26 | C27 | H45 | 109.8° | 109.9° |
| N3 | C18 | C19 | 111.0° | 109.3° |
| N3 | C18 | H33 | 109.1° | 109.6° |
| N3 | C18 | H34 | 109.1° | 109.4° |
| C38 | S | C37 | 89.2° | 90.3° |
| S | C38 | N8 | 116.1° | 110.4° |
| S | C38 | H60 | 122.0° | 124.8° |
| S | C37 | C34 | 119.0° | 126.1° |
| S | C37 | C39 | 109.9° | 107.8° |
| C20 | N4 | C19 | 113.1° | 111.0° |
| N4 | C20 | H10 | 108.6° | 109.5° |
| N4 | C20 | H11 | 108.6° | 109.5° |
| N4 | C19 | C18 | 109.0° | 109.4° |
| N4 | C19 | H31 | 109.6° | 109.5° |
| N4 | C19 | H32 | 109.6° | 109.5° |
| C38 | N8 | C39 | 109.8° | 117.3° |
| N8 | C38 | H60 | 122.0° | 124.8° |
| C27 | C28 | N7 | 114.3° | 120.0° |
| C28 | C27 | H45 | 110.1° | 110.0° |
| F | C49 | C48 | 112.0° | 109.5° |
| F | C49 | F1 | 104.4° | 109.5° |
| F | C49 | F2 | 108.8° | 109.5° |
| C28 | N7 | C29 | 123.3° | 120.0° |
| C28 | N7 | H48 | 118.3° | 120.0° |
| C12 | C13 | H5 | 119.5° | 120.0° |
| C13 | C12 | H25 | 119.9° | 120.0° |
| C49 | C48 | C8 | 121.0° | 120.4° |
| C48 | C49 | F1 | 113.6° | 109.5° |
| C48 | C49 | F2 | 111.9° | 109.5° |
| C48 | C8 | C9 | 119.5° | 118.4° |
| C48 | C8 | N1 | 120.3° | 120.8° |
| C9 | C8 | N1 | 120.2° | 120.8° |
| C8 | C9 | H23 | 121.1° | 120.6° |
| N8 | C39 | C37 | 115.1° | 114.2° |
| N8 | C39 | C40 | 118.0° | 123.0° |
| C34 | C37 | C39 | 130.9° | 126.1° |
| C37 | C34 | C35 | 121.2° | 120.1° |
| C37 | C34 | C33 | 120.5° | 120.1° |
| C37 | C39 | C40 | 126.9° | 122.9° |
| F1 | C49 | F2 | 105.5° | 109.5° |
| C18 | C19 | H31 | 109.6° | 109.5° |
| C18 | C19 | H32 | 109.6° | 109.5° |
| C19 | C18 | H33 | 109.1° | 109.5° |
| C19 | C18 | H34 | 109.1° | 109.4° |
| C8 | N1 | C7 | 126.7° | 120.0° |
| C8 | N1 | H1 | 116.7° | 120.1° |
| C35 | C34 | C33 | 118.3° | 119.7° |
| C34 | C35 | C36 | 120.5° | 119.8° |
| C34 | C35 | H54 | 119.7° | 120.1° |
| C34 | C33 | C32 | 120.8° | 119.8° |
| C34 | C33 | H55 | 119.6° | 120.1° |
| C35 | C36 | C31 | 121.0° | 120.2° |
| C35 | C36 | H53 | 119.5° | 119.9° |
| C36 | C35 | H54 | 119.7° | 120.1° |
| C33 | C32 | C31 | 121.1° | 120.1° |
| C32 | C33 | H55 | 119.6° | 120.1° |
| C33 | C32 | H56 | 119.4° | 119.9° |
| C39 | C40 | H57 | 109.5° | 109.5° |
| C39 | C40 | H58 | 109.5° | 109.5° |
| C39 | C40 | H59 | 109.5° | 109.5° |
| C36 | C31 | C32 | 118.1° | 120.3° |
| C36 | C31 | C29 | 122.3° | 119.9° |
| C31 | C36 | H53 | 119.5° | 119.9° |
| C32 | C31 | C29 | 119.5° | 119.9° |
| C31 | C32 | H56 | 119.4° | 119.9° |
| N7 | C29 | C31 | 112.0° | 109.4° |
| N7 | C29 | C30 | 109.3° | 109.5° |
| C29 | N7 | H48 | 118.3° | 120.0° |
| N7 | C29 | H49 | 108.7° | 109.5° |
| C31 | C29 | C30 | 110.7° | 109.5° |
| C31 | C29 | H49 | 108.1° | 109.4° |
| C30 | C29 | H49 | 107.9° | 109.5° |
| C29 | C30 | H50 | 109.5° | 109.5° |
| C29 | C30 | H51 | 109.4° | 109.5° |
| C29 | C30 | H52 | 109.4° | 109.5° |
| N1 | C7 | C6 | 119.8° | 120.2° |
| N1 | C7 | C2 | 120.7° | 120.2° |
| C7 | N1 | H1 | 116.6° | 120.0° |
| C7 | C6 | C5 | 120.1° | 120.1° |
| C6 | C7 | C2 | 119.5° | 119.7° |
| C7 | C6 | H4 | 120.0° | 120.0° |
| C6 | C5 | C4 | 120.5° | 120.4° |
| C6 | C5 | H3 | 119.7° | 119.8° |
| C5 | C6 | H4 | 119.9° | 119.9° |
| C7 | C2 | C1 | 121.0° | 120.2° |
| C7 | C2 | C3 | 119.4° | 119.6° |
| C5 | C4 | C3 | 120.5° | 120.3° |
| C5 | C4 | H2 | 119.8° | 119.8° |
| C4 | C5 | H3 | 119.7° | 119.8° |
| C1 | C2 | C3 | 119.6° | 120.2° |
| C2 | C1 | O | 120.6° | 120.0° |
| C2 | C1 | N | 117.5° | 120.0° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | H17 | 120.0° | 120.1° |
| C3 | C4 | H2 | 119.8° | 119.8° |
| C4 | C3 | H17 | 120.0° | 120.0° |
| O | C1 | N | 121.9° | 120.1° |
| C1 | N | C | 121.9° | 120.0° |
| C1 | N | H18 | 119.1° | 120.0° |
| C | N | H18 | 119.0° | 120.0° |
| N | C | H19 | 109.5° | 109.5° |
| N | C | H20 | 109.5° | 109.5° |
| N | C | H21 | 109.5° | 109.4° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H7 | C17 | H9 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.4° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 110.4° |
| H15 | C26 | H16 | 109.5° | 110.7° |
| H19 | C | H20 | 109.5° | 109.5° |
| H19 | C | H21 | 109.5° | 109.5° |
| H20 | C | H21 | 109.4° | 109.5° |
| H26 | C46 | H27 | 109.4° | 109.5° |
| H28 | C45 | H29 | 109.5° | 109.5° |
| H31 | C19 | H32 | 109.5° | 109.5° |
| H33 | C18 | H34 | 109.5° | 109.5° |
| H36 | C44 | H37 | 109.4° | 109.4° |
| H36 | C44 | H38 | 109.4° | 109.5° |
| H37 | C44 | H38 | 109.5° | 109.5° |
| H39 | C43 | H40 | 109.5° | 109.5° |
| H39 | C43 | H41 | 109.5° | 109.5° |
| H40 | C43 | H41 | 109.5° | 109.5° |
| H42 | C42 | H43 | 109.4° | 109.5° |
| H42 | C42 | H44 | 109.4° | 109.4° |
| H43 | C42 | H44 | 109.5° | 109.5° |
| H50 | C30 | H51 | 109.5° | 109.5° |
| H50 | C30 | H52 | 109.5° | 109.5° |
| H51 | C30 | H52 | 109.5° | 109.5° |
| H57 | C40 | H58 | 109.5° | 109.4° |
| H57 | C40 | H59 | 109.4° | 109.5° |
| H58 | C40 | H59 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | O1 | C16 | C15 | 8.4° | 0.0° |
| C17 | O1 | C16 | C11 | 174.0° | 179.7° |
| O1 | C17 | H7 | H8 | 120.0° | 120.0° |
| O1 | C17 | H7 | H9 | 120.0° | 120.0° |
| O1 | C17 | H8 | H9 | 120.0° | 120.0° |
| C44 | C41 | C42 | C43 | 118.3° | 120.0° |
| C44 | C41 | C42 | C22 | 120.4° | 119.9° |
| C44 | C41 | C43 | C22 | 119.6° | 120.0° |
| C44 | C41 | C22 | N5 | 70.9° | 64.2° |
| C44 | C41 | C22 | C23 | 168.4° | 175.8° |
| C44 | C41 | C22 | H12 | 48.9° | 55.8° |
| C41 | C44 | H36 | H37 | 120.0° | 120.0° |
| C41 | C44 | H36 | H38 | 120.0° | 120.0° |
| C41 | C44 | H37 | H38 | 120.0° | 120.0° |
| C44 | C41 | C43 | H39 | 180.0° | 180.0° |
| C44 | C41 | C43 | H40 | 60.0° | 60.0° |
| C44 | C41 | C43 | H41 | 60.0° | 60.0° |
| C44 | C41 | C42 | H42 | 180.0° | 175.5° |
| C44 | C41 | C42 | H43 | 60.0° | 55.5° |
| C44 | C41 | C42 | H44 | 60.0° | 64.5° |
| C42 | C41 | C43 | C22 | 122.0° | 120.0° |
| C42 | C41 | C22 | N5 | 168.7° | 175.8° |
| C42 | C41 | C22 | C23 | 47.9° | 55.9° |
| C42 | C41 | C22 | H12 | 71.5° | 64.1° |
| C42 | C41 | C44 | H36 | 180.0° | 60.0° |
| C42 | C41 | C44 | H37 | 60.0° | 60.0° |
| C42 | C41 | C44 | H38 | 60.0° | 179.9° |
| C42 | C41 | C43 | H39 | 61.6° | 60.0° |
| C42 | C41 | C43 | H40 | 58.4° | 60.0° |
| C42 | C41 | C43 | H41 | 178.4° | 180.0° |
| C41 | C42 | H42 | H43 | 120.0° | 120.0° |
| C41 | C42 | H42 | H44 | 120.0° | 120.0° |
| C41 | C42 | H43 | H44 | 120.0° | 120.0° |
| O1 | C16 | C15 | C11 | 177.4° | 179.7° |
| O1 | C16 | C15 | C14 | 176.5° | 179.9° |
| O1 | C16 | C11 | N2 | 9.1° | 0.0° |
| O1 | C16 | C11 | C12 | 179.6° | 180.0° |
| O1 | C16 | C15 | H6 | 3.5° | 0.0° |
| C16 | O1 | C17 | H7 | 180.0° | 60.0° |
| C16 | O1 | C17 | H8 | 60.0° | 60.0° |
| C16 | O1 | C17 | H9 | 60.0° | 179.9° |
| C43 | C41 | C22 | N5 | 48.7° | 55.8° |
| C43 | C41 | C22 | C23 | 72.1° | 64.2° |
| C43 | C41 | C22 | H12 | 168.5° | 175.8° |
| C43 | C41 | C44 | H36 | 62.2° | 60.1° |
| C43 | C41 | C44 | H37 | 57.8° | 180.0° |
| C43 | C41 | C44 | H38 | 177.8° | 60.0° |
| C41 | C43 | H39 | H40 | 120.0° | 119.9° |
| C41 | C43 | H39 | H41 | 120.0° | 120.0° |
| C41 | C43 | H40 | H41 | 120.0° | 120.0° |
| C43 | C41 | C42 | H42 | 61.7° | 64.5° |
| C43 | C41 | C42 | H43 | 178.3° | 175.5° |
| C43 | C41 | C42 | H44 | 58.3° | 55.5° |
| C41 | C22 | N5 | C23 | 123.7° | 119.9° |
| C41 | C22 | N5 | H12 | 119.0° | 120.1° |
| C41 | C22 | C23 | H12 | 119.2° | 120.0° |
| C41 | C22 | C23 | N6 | 96.5° | 97.8° |
| C41 | C22 | N5 | C21 | 133.8° | 85.1° |
| C41 | C22 | C23 | O3 | 82.3° | 82.2° |
| C41 | C22 | N5 | H35 | 46.2° | 95.0° |
| C22 | C41 | C44 | H36 | 58.1° | 179.9° |
| C22 | C41 | C44 | H37 | 178.1° | 60.0° |
| C22 | C41 | C44 | H38 | 61.9° | 60.0° |
| C22 | C41 | C43 | H39 | 60.4° | 60.0° |
| C22 | C41 | C43 | H40 | 179.6° | 180.0° |
| C22 | C41 | C43 | H41 | 59.6° | 60.0° |
| C22 | C41 | C42 | H42 | 59.5° | 55.6° |
| C22 | C41 | C42 | H43 | 60.5° | 64.4° |
| C22 | C41 | C42 | H44 | 179.5° | 175.5° |
| C16 | C15 | C14 | H6 | 180.0° | 180.0° |
| C15 | C16 | C11 | N2 | 168.6° | 179.7° |
| C15 | C16 | C11 | C12 | 2.7° | 0.3° |
| C16 | C15 | C14 | N3 | 172.6° | 180.0° |
| C16 | C15 | C14 | C13 | 3.3° | 0.0° |
| C11 | C16 | C15 | C14 | 0.9° | 0.2° |
| C16 | C11 | N2 | C12 | 170.8° | 180.0° |
| C16 | C11 | N2 | C10 | 126.3° | 154.3° |
| C16 | C11 | C12 | C13 | 3.9° | 0.0° |
| C11 | C16 | C15 | H6 | 179.1° | 179.7° |
| C16 | C11 | N2 | H24 | 53.7° | 25.6° |
| C16 | C11 | C12 | H25 | 176.1° | 180.0° |
| C25 | C24 | N6 | H13 | 118.9° | 118.8° |
| C25 | C24 | N6 | H14 | 118.9° | 118.9° |
| C24 | C25 | C26 | O4 | 120.6° | 118.1° |
| C24 | C25 | C26 | H46 | 117.3° | 118.0° |
| C24 | C25 | O4 | H46 | 124.9° | 123.8° |
| C25 | C24 | N6 | C23 | 155.5° | 155.8° |
| C25 | C24 | N6 | C27 | 21.0° | 24.2° |
| C24 | C25 | C26 | C27 | 38.2° | 35.6° |
| C25 | C24 | H13 | H14 | 123.1° | 122.3° |
| C24 | C25 | C26 | H15 | 157.3° | 82.9° |
| C24 | C25 | C26 | H16 | 80.8° | 154.0° |
| C24 | C25 | O4 | H47 | 180.0° | 61.4° |
| C24 | N6 | C23 | C22 | 0.8° | 4.1° |
| N6 | C24 | C25 | C26 | 36.2° | 37.1° |
| N6 | C24 | C25 | O4 | 80.8° | 81.1° |
| C24 | N6 | C23 | C27 | 176.4° | 180.0° |
| C24 | N6 | C23 | O3 | 178.0° | 175.9° |
| C24 | N6 | C27 | C26 | 2.7° | 1.1° |
| C24 | N6 | C27 | C28 | 119.9° | 118.3° |
| N6 | C24 | H13 | H14 | 123.0° | 122.3° |
| C24 | N6 | C27 | H45 | 115.2° | 120.5° |
| N6 | C24 | C25 | H46 | 153.5° | 155.1° |
| C15 | C14 | N3 | C46 | 23.8° | 56.2° |
| C15 | C14 | N3 | C13 | 175.8° | 180.0° |
| C15 | C14 | N3 | C18 | 163.8° | 179.9° |
| C15 | C14 | C13 | C12 | 2.1° | 0.3° |
| C15 | C14 | C13 | H5 | 177.9° | 180.0° |
| N5 | C22 | C23 | H12 | 117.9° | 120.0° |
| N5 | C22 | C23 | N6 | 140.7° | 142.2° |
| C22 | N5 | C21 | H35 | 180.0° | 180.0° |
| C22 | N5 | C21 | O2 | 7.4° | 0.0° |
| N5 | C22 | C23 | O3 | 40.5° | 37.8° |
| C22 | N5 | C21 | C20 | 174.3° | 180.0° |
| C22 | C23 | N6 | O3 | 178.8° | 180.0° |
| C22 | C23 | N6 | C27 | 175.6° | 175.9° |
| C23 | C22 | N5 | C21 | 102.5° | 155.0° |
| C23 | C22 | N5 | H35 | 77.5° | 25.0° |
| C45 | C46 | N3 | H26 | 120.3° | 119.9° |
| C45 | C46 | N3 | H27 | 120.3° | 120.0° |
| C46 | C45 | N4 | H28 | 120.1° | 120.0° |
| C46 | C45 | N4 | H29 | 120.1° | 119.9° |
| C45 | C46 | N3 | C14 | 169.9° | 176.8° |
| C45 | C46 | N3 | C18 | 48.3° | 59.4° |
| C46 | C45 | N4 | C20 | 170.3° | 176.8° |
| C46 | C45 | N4 | C19 | 64.8° | 59.4° |
| C45 | C46 | H26 | H27 | 119.2° | 120.1° |
| C46 | C45 | H28 | H29 | 119.8° | 120.0° |
| N3 | C46 | C45 | N4 | 55.8° | 58.5° |
| C46 | N3 | C14 | C18 | 140.0° | 123.7° |
| C46 | N3 | C14 | C13 | 160.4° | 123.7° |
| C46 | N3 | C18 | C19 | 49.2° | 59.4° |
| N3 | C46 | H26 | H27 | 119.3° | 120.1° |
| N3 | C46 | C45 | H28 | 64.2° | 61.6° |
| N3 | C46 | C45 | H29 | 175.9° | 178.4° |
| C46 | N3 | C18 | H33 | 71.0° | 60.6° |
| C46 | N3 | C18 | H34 | 169.5° | 179.3° |
| C47 | N9 | C10 | N2 | 174.0° | 179.7° |
| N9 | C47 | C48 | H22 | 180.0° | 179.9° |
| C47 | N9 | C10 | C9 | 0.7° | 0.3° |
| N9 | C47 | C48 | C49 | 179.5° | 180.0° |
| N9 | C47 | C48 | C8 | 1.1° | 0.1° |
| N9 | C10 | N2 | C11 | 174.9° | 3.7° |
| N9 | C10 | N2 | C9 | 173.4° | 179.4° |
| C10 | N9 | C47 | C48 | 0.4° | 0.0° |
| N9 | C10 | C9 | C8 | 0.5° | 0.5° |
| C10 | N9 | C47 | H22 | 179.7° | 179.9° |
| N9 | C10 | C9 | H23 | 179.5° | 180.0° |
| N9 | C10 | N2 | H24 | 5.1° | 176.2° |
| C11 | N2 | C10 | H24 | 180.0° | 179.9° |
| C11 | N2 | C10 | C9 | 11.6° | 175.7° |
| N2 | C11 | C12 | C13 | 166.7° | 179.9° |
| N2 | C11 | C12 | H25 | 13.3° | 0.0° |
| C10 | N2 | C11 | C12 | 44.6° | 25.7° |
| N2 | C10 | C9 | C8 | 172.4° | 180.0° |
| N2 | C10 | C9 | H23 | 7.6° | 0.6° |
| C45 | N4 | C20 | C21 | 82.5° | 170.0° |
| C45 | N4 | C20 | C19 | 121.9° | 123.8° |
| C45 | N4 | C19 | C18 | 65.4° | 59.4° |
| C45 | N4 | C20 | H10 | 38.0° | 50.0° |
| C45 | N4 | C20 | H11 | 157.0° | 70.0° |
| N4 | C45 | C46 | H26 | 64.5° | 178.3° |
| N4 | C45 | C46 | H27 | 176.1° | 61.6° |
| N4 | C45 | H28 | H29 | 119.8° | 120.1° |
| C45 | N4 | C19 | H31 | 54.5° | 60.6° |
| C45 | N4 | C19 | H32 | 174.7° | 179.4° |
| C26 | C25 | O4 | H46 | 121.3° | 123.9° |
| C25 | C26 | C27 | N6 | 25.4° | 22.2° |
| C25 | C26 | C27 | H15 | 119.1° | 118.4° |
| C25 | C26 | C27 | H16 | 119.1° | 118.5° |
| C25 | C26 | C27 | C28 | 146.8° | 141.6° |
| C26 | C25 | C24 | H13 | 82.7° | 155.9° |
| C26 | C25 | C24 | H14 | 155.1° | 81.8° |
| C25 | C26 | H15 | H16 | 122.7° | 123.3° |
| C25 | C26 | C27 | H45 | 93.1° | 97.2° |
| C26 | C25 | O4 | H47 | 66.3° | 173.6° |
| O4 | C25 | C26 | C27 | 82.4° | 82.6° |
| O4 | C25 | C24 | H13 | 160.2° | 37.7° |
| O4 | C25 | C24 | H14 | 38.1° | 160.1° |
| O4 | C25 | C26 | H15 | 36.7° | 159.0° |
| O4 | C25 | C26 | H16 | 158.6° | 35.9° |
| C11 | C12 | C13 | C14 | 1.5° | 0.2° |
| C11 | C12 | C13 | H25 | 180.0° | 180.0° |
| C11 | C12 | C13 | H5 | 178.5° | 179.9° |
| C12 | C11 | N2 | H24 | 135.4° | 154.4° |
| C23 | N6 | C27 | C26 | 179.8° | 178.9° |
| C23 | N6 | C27 | C28 | 62.9° | 61.7° |
| N6 | C23 | C22 | H12 | 22.8° | 22.2° |
| C23 | N6 | C24 | H13 | 85.6° | 37.0° |
| C23 | N6 | C24 | H14 | 36.6° | 85.3° |
| C23 | N6 | C27 | H45 | 61.9° | 59.5° |
| N6 | C27 | C28 | O5 | 33.0° | 0.7° |
| C27 | N6 | C23 | O3 | 5.7° | 4.1° |
| N6 | C27 | C26 | C28 | 121.3° | 119.4° |
| N6 | C27 | C26 | H45 | 118.5° | 119.4° |
| N6 | C27 | C28 | H45 | 125.3° | 121.1° |
| N6 | C27 | C28 | N7 | 150.0° | 179.2° |
| C27 | N6 | C24 | H13 | 98.0° | 143.0° |
| C27 | N6 | C24 | H14 | 139.9° | 94.7° |
| N6 | C27 | C26 | H15 | 144.5° | 96.2° |
| N6 | C27 | C26 | H16 | 93.6° | 140.7° |
| N5 | C21 | O2 | C20 | 178.2° | 180.0° |
| N5 | C21 | C20 | N4 | 16.7° | 180.0° |
| N5 | C21 | C20 | H10 | 137.2° | 60.0° |
| N5 | C21 | C20 | H11 | 103.8° | 60.0° |
| C21 | N5 | C22 | H12 | 14.8° | 35.0° |
| O5 | C28 | C27 | C26 | 81.8° | 118.5° |
| O5 | C28 | C27 | N7 | 177.1° | 179.9° |
| O5 | C28 | N7 | C29 | 3.5° | 0.1° |
| O5 | C28 | C27 | H45 | 158.3° | 120.4° |
| O5 | C28 | N7 | H48 | 176.5° | 180.0° |
| C47 | C48 | C49 | F | 8.7° | 120.0° |
| C47 | C48 | C49 | C8 | 178.4° | 179.9° |
| C47 | C48 | C8 | C9 | 2.3° | 0.2° |
| C47 | C48 | C49 | F1 | 126.7° | 0.1° |
| C47 | C48 | C49 | F2 | 113.9° | 119.9° |
| C47 | C48 | C8 | N1 | 176.1° | 180.0° |
| O2 | C21 | C20 | N4 | 164.9° | 0.0° |
| O2 | C21 | C20 | H10 | 44.4° | 120.0° |
| O2 | C21 | C20 | H11 | 74.6° | 120.0° |
| O2 | C21 | N5 | H35 | 172.6° | 180.0° |
| O3 | C23 | C22 | H12 | 158.4° | 157.8° |
| C10 | C9 | C8 | C48 | 2.0° | 0.5° |
| C10 | C9 | C8 | H23 | 180.0° | 179.5° |
| C10 | C9 | C8 | N1 | 176.3° | 179.7° |
| C9 | C10 | N2 | H24 | 168.4° | 4.4° |
| N3 | C14 | C13 | C12 | 173.8° | 179.7° |
| C14 | N3 | C18 | C19 | 170.1° | 176.8° |
| N3 | C14 | C13 | H5 | 6.2° | 0.1° |
| N3 | C14 | C15 | H6 | 7.4° | 0.0° |
| C14 | N3 | C46 | H26 | 69.8° | 56.9° |
| C14 | N3 | C46 | H27 | 49.6° | 63.2° |
| C14 | N3 | C18 | H33 | 69.7° | 63.2° |
| C14 | N3 | C18 | H34 | 49.9° | 56.9° |
| C13 | C14 | N3 | C18 | 20.4° | 0.0° |
| C14 | C13 | C12 | H5 | 180.0° | 179.7° |
| C13 | C14 | C15 | H6 | 176.7° | 180.0° |
| C14 | C13 | C12 | H25 | 178.5° | 179.7° |
| C21 | C20 | N4 | H10 | 120.5° | 120.0° |
| C21 | C20 | N4 | H11 | 120.5° | 120.0° |
| C21 | C20 | N4 | C19 | 155.6° | 66.2° |
| C21 | C20 | H10 | H11 | 118.5° | 120.0° |
| C20 | C21 | N5 | H35 | 5.7° | 0.0° |
| C26 | C27 | C28 | H45 | 120.0° | 121.1° |
| C26 | C27 | C28 | N7 | 95.3° | 61.4° |
| C27 | C26 | H15 | H16 | 122.7° | 123.2° |
| C27 | C26 | C25 | H46 | 155.5° | 153.6° |
| N3 | C18 | C19 | N4 | 57.5° | 58.5° |
| N3 | C18 | C19 | H33 | 120.2° | 120.0° |
| N3 | C18 | C19 | H34 | 120.2° | 119.9° |
| C18 | N3 | C46 | H26 | 72.0° | 179.3° |
| C18 | N3 | C46 | H27 | 168.6° | 60.6° |
| N3 | C18 | C19 | H31 | 62.4° | 61.5° |
| N3 | C18 | C19 | H32 | 177.4° | 178.4° |
| N3 | C18 | H33 | H34 | 119.3° | 120.1° |
| S | C38 | N8 | H60 | 180.0° | 179.8° |
| S | C38 | N8 | C39 | 0.5° | 0.2° |
| C38 | S | C37 | C34 | 173.3° | 180.0° |
| C38 | S | C37 | C39 | 1.1° | 0.4° |
| C37 | S | C38 | N8 | 0.4° | 0.3° |
| S | C37 | C39 | N8 | 1.7° | 0.3° |
| S | C37 | C34 | C39 | 173.1° | 179.6° |
| S | C37 | C34 | C35 | 34.1° | 47.7° |
| S | C37 | C34 | C33 | 144.2° | 132.3° |
| S | C37 | C39 | C40 | 176.2° | 179.7° |
| C37 | S | C38 | H60 | 179.6° | 179.9° |
| C20 | N4 | C19 | C18 | 170.4° | 176.8° |
| N4 | C20 | H10 | H11 | 118.5° | 120.0° |
| C20 | N4 | C45 | H28 | 69.6° | 63.2° |
| C20 | N4 | C45 | H29 | 50.2° | 56.9° |
| C20 | N4 | C19 | H31 | 69.7° | 63.2° |
| C20 | N4 | C19 | H32 | 50.5° | 56.8° |
| N4 | C19 | C18 | H31 | 119.9° | 120.0° |
| N4 | C19 | C18 | H32 | 119.9° | 120.0° |
| C19 | N4 | C20 | H10 | 83.9° | 173.8° |
| C19 | N4 | C20 | H11 | 35.2° | 53.8° |
| C19 | N4 | C45 | H28 | 55.2° | 60.6° |
| C19 | N4 | C45 | H29 | 175.1° | 179.2° |
| N4 | C19 | H31 | H32 | 120.2° | 120.0° |
| N4 | C19 | C18 | H33 | 62.8° | 61.6° |
| N4 | C19 | C18 | H34 | 177.7° | 178.4° |
| C38 | N8 | C39 | C37 | 1.4° | 0.1° |
| C38 | N8 | C39 | C40 | 176.7° | 180.0° |
| C27 | C28 | N7 | C29 | 173.4° | 180.0° |
| C28 | C27 | C26 | H15 | 94.2° | 23.3° |
| C28 | C27 | C26 | H16 | 27.7° | 99.9° |
| C27 | C28 | N7 | H48 | 6.5° | 0.1° |
| F | C49 | C48 | F1 | 118.1° | 120.0° |
| F | C49 | C48 | F2 | 122.5° | 120.0° |
| F | C49 | C48 | C8 | 173.0° | 60.1° |
| F | C49 | F1 | F2 | 114.7° | 120.0° |
| C28 | N7 | C29 | H48 | 180.0° | 179.9° |
| C28 | N7 | C29 | C31 | 84.7° | 155.0° |
| C28 | N7 | C29 | C30 | 152.3° | 85.0° |
| N7 | C28 | C27 | H45 | 24.7° | 59.7° |
| C28 | N7 | C29 | H49 | 34.7° | 35.1° |
| C49 | C48 | C8 | C9 | 179.3° | 179.7° |
| C48 | C49 | F1 | F2 | 123.0° | 120.0° |
| C49 | C48 | C8 | N1 | 2.4° | 0.1° |
| C49 | C48 | C47 | H22 | 0.5° | 0.2° |
| C48 | C8 | C9 | N1 | 178.3° | 179.8° |
| C8 | C48 | C49 | F1 | 54.9° | 180.0° |
| C8 | C48 | C49 | F2 | 64.5° | 60.0° |
| C48 | C8 | N1 | C7 | 176.1° | 150.7° |
| C48 | C8 | N1 | H1 | 3.8° | 29.6° |
| C8 | C48 | C47 | H22 | 178.9° | 180.0° |
| C48 | C8 | C9 | H23 | 178.0° | 180.0° |
| C9 | C8 | N1 | C7 | 2.2° | 29.1° |
| C9 | C8 | N1 | H1 | 177.9° | 150.6° |
| N8 | C39 | C37 | C34 | 171.8° | 180.0° |
| N8 | C39 | C37 | C40 | 177.9° | 180.0° |
| N8 | C39 | C40 | H57 | 0.0° | 85.9° |
| N8 | C39 | C40 | H58 | 120.0° | 34.1° |
| N8 | C39 | C40 | H59 | 120.0° | 154.1° |
| C39 | N8 | C38 | H60 | 179.5° | 180.0° |
| C37 | C34 | C35 | C33 | 178.4° | 180.0° |
| C37 | C34 | C35 | C36 | 178.5° | 180.0° |
| C37 | C34 | C33 | C32 | 179.1° | 179.7° |
| C34 | C37 | C39 | C40 | 10.3° | 0.1° |
| C37 | C34 | C35 | H54 | 1.6° | 0.0° |
| C37 | C34 | C33 | H55 | 0.9° | 0.0° |
| C39 | C37 | C34 | C35 | 152.8° | 132.7° |
| C39 | C37 | C34 | C33 | 28.9° | 47.3° |
| C37 | C39 | C40 | H57 | 177.8° | 94.2° |
| C37 | C39 | C40 | H58 | 62.2° | 145.9° |
| C37 | C39 | C40 | H59 | 57.9° | 25.9° |
| C18 | C19 | H31 | H32 | 120.2° | 120.1° |
| C19 | C18 | H33 | H34 | 119.3° | 120.0° |
| C8 | N1 | C7 | H1 | 180.0° | 179.7° |
| C8 | N1 | C7 | C6 | 58.5° | 18.5° |
| C8 | N1 | C7 | C2 | 123.8° | 161.5° |
| N1 | C8 | C9 | H23 | 3.7° | 0.2° |
| C34 | C35 | C36 | H54 | 180.0° | 179.9° |
| C35 | C34 | C33 | C32 | 0.7° | 0.3° |
| C34 | C35 | C36 | C31 | 0.5° | 0.1° |
| C34 | C35 | C36 | H53 | 179.5° | 180.0° |
| C35 | C34 | C33 | H55 | 179.3° | 180.0° |
| C33 | C34 | C35 | C36 | 0.1° | 0.0° |
| C34 | C33 | C32 | H55 | 180.0° | 179.8° |
| C34 | C33 | C32 | C31 | 0.7° | 0.6° |
| C33 | C34 | C35 | H54 | 179.9° | 180.0° |
| C34 | C33 | C32 | H56 | 179.3° | 180.0° |
| C35 | C36 | C31 | H53 | 180.0° | 179.9° |
| C35 | C36 | C31 | C32 | 0.5° | 0.4° |
| C35 | C36 | C31 | C29 | 175.9° | 180.0° |
| C33 | C32 | C31 | C36 | 0.1° | 0.6° |
| C33 | C32 | C31 | H56 | 180.0° | 179.4° |
| C33 | C32 | C31 | C29 | 176.6° | 179.8° |
| C39 | C40 | H57 | H58 | 120.0° | 120.0° |
| C39 | C40 | H57 | H59 | 120.0° | 120.1° |
| C39 | C40 | H58 | H59 | 120.0° | 120.1° |
| C36 | C31 | C32 | C29 | 176.5° | 179.6° |
| C36 | C31 | C29 | N7 | 17.1° | 140.0° |
| C36 | C31 | C29 | C30 | 105.1° | 99.9° |
| C36 | C31 | C29 | H49 | 136.9° | 20.1° |
| C31 | C36 | C35 | H54 | 179.5° | 180.0° |
| C36 | C31 | C32 | H56 | 179.9° | 180.0° |
| C32 | C31 | C29 | N7 | 166.5° | 40.3° |
| C32 | C31 | C29 | C30 | 71.2° | 79.7° |
| C32 | C31 | C29 | H49 | 46.8° | 160.3° |
| C32 | C31 | C36 | H53 | 179.5° | 179.7° |
| C31 | C32 | C33 | H55 | 179.3° | 179.7° |
| N7 | C29 | C31 | C30 | 122.2° | 120.0° |
| N7 | C29 | C31 | H49 | 119.8° | 120.0° |
| N7 | C29 | C30 | H49 | 118.1° | 120.0° |
| N7 | C29 | C30 | H50 | 180.0° | 180.0° |
| N7 | C29 | C30 | H51 | 60.0° | 60.0° |
| N7 | C29 | C30 | H52 | 60.0° | 60.0° |
| C31 | C29 | C30 | H49 | 118.1° | 120.0° |
| C31 | C29 | N7 | H48 | 95.3° | 25.1° |
| C31 | C29 | C30 | H50 | 56.2° | 60.0° |
| C31 | C29 | C30 | H51 | 176.2° | 180.0° |
| C31 | C29 | C30 | H52 | 63.8° | 60.0° |
| C29 | C31 | C36 | H53 | 4.1° | 0.1° |
| C29 | C31 | C32 | H56 | 3.4° | 0.3° |
| C30 | C29 | N7 | H48 | 27.7° | 94.9° |
| C29 | C30 | H50 | H51 | 120.0° | 120.0° |
| C29 | C30 | H50 | H52 | 120.0° | 120.0° |
| C29 | C30 | H51 | H52 | 119.9° | 120.0° |
| N1 | C7 | C6 | C2 | 177.7° | 180.0° |
| N1 | C7 | C6 | C5 | 178.0° | 180.0° |
| N1 | C7 | C2 | C1 | 4.9° | 0.0° |
| N1 | C7 | C2 | C3 | 175.9° | 179.9° |
| N1 | C7 | C6 | H4 | 2.1° | 0.0° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 1.5° | 0.0° |
| C6 | C7 | C2 | C1 | 177.4° | 180.0° |
| C6 | C7 | C2 | C3 | 1.8° | 0.0° |
| C6 | C7 | N1 | H1 | 121.5° | 161.8° |
| C7 | C6 | C5 | H3 | 178.5° | 180.0° |
| C5 | C6 | C7 | C2 | 0.2° | 0.0° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.7° | 0.0° |
| C6 | C5 | C4 | H2 | 179.3° | 179.7° |
| C7 | C2 | C1 | C3 | 179.2° | 179.9° |
| C7 | C2 | C3 | C4 | 2.6° | 0.1° |
| C7 | C2 | C1 | O | 23.2° | 5.8° |
| C7 | C2 | C1 | N | 156.4° | 174.2° |
| C2 | C7 | N1 | H1 | 56.2° | 18.2° |
| C2 | C7 | C6 | H4 | 179.8° | 180.0° |
| C7 | C2 | C3 | H17 | 177.4° | 179.7° |
| C5 | C4 | C3 | C2 | 1.3° | 0.1° |
| C5 | C4 | C3 | H2 | 180.0° | 179.7° |
| C4 | C5 | C6 | H4 | 178.5° | 180.0° |
| C5 | C4 | C3 | H17 | 178.6° | 179.7° |
| C1 | C2 | C3 | C4 | 176.6° | 180.0° |
| C2 | C1 | O | N | 179.6° | 180.0° |
| C2 | C1 | N | C | 173.9° | 180.0° |
| C1 | C2 | C3 | H17 | 3.4° | 0.3° |
| C2 | C1 | N | H18 | 6.1° | 0.0° |
| C2 | C3 | C4 | H17 | 180.0° | 179.7° |
| C3 | C2 | C1 | O | 157.7° | 174.3° |
| C3 | C2 | C1 | N | 22.8° | 5.8° |
| C2 | C3 | C4 | H2 | 178.7° | 179.7° |
| C3 | C4 | C5 | H3 | 179.3° | 180.0° |
| O | C1 | N | C | 6.5° | 0.0° |
| O | C1 | N | H18 | 173.4° | 180.0° |
| C1 | N | C | H18 | 180.0° | 180.0° |
| C1 | N | C | H19 | 180.0° | 180.0° |
| C1 | N | C | H20 | 60.0° | 60.0° |
| C1 | N | C | H21 | 60.0° | 60.0° |
| N | C | H19 | H20 | 120.0° | 120.1° |
| N | C | H19 | H21 | 120.0° | 120.0° |
| N | C | H20 | H21 | 120.0° | 120.0° |
| H2 | C4 | C5 | H3 | 0.7° | 0.3° |
| H2 | C4 | C3 | H17 | 1.4° | 0.0° |
| H3 | C5 | C6 | H4 | 1.5° | 0.0° |
| H5 | C13 | C12 | H25 | 1.5° | 0.0° |
| H7 | C17 | H8 | H9 | 120.0° | 120.0° |
| H12 | C22 | N5 | H35 | 165.2° | 145.0° |
| H13 | C24 | C25 | H46 | 34.6° | 86.1° |
| H14 | C24 | C25 | H46 | 87.6° | 36.3° |
| H15 | C26 | C27 | H45 | 26.0° | 144.4° |
| H15 | C26 | C25 | H46 | 85.4° | 35.2° |
| H16 | C26 | C27 | H45 | 147.8° | 21.3° |
| H16 | C26 | C25 | H46 | 36.5° | 88.0° |
| H18 | N | C | H19 | 0.0° | 0.1° |
| H18 | N | C | H20 | 120.0° | 120.0° |
| H18 | N | C | H21 | 120.0° | 120.0° |
| H19 | C | H20 | H21 | 120.0° | 120.0° |
| H26 | C46 | C45 | H28 | 175.5° | 58.3° |
| H26 | C46 | C45 | H29 | 55.6° | 61.8° |
| H27 | C46 | C45 | H28 | 56.0° | 178.4° |
| H27 | C46 | C45 | H29 | 63.9° | 58.4° |
| H31 | C19 | C18 | H33 | 177.3° | 178.4° |
| H31 | C19 | C18 | H34 | 57.8° | 58.4° |
| H32 | C19 | C18 | H33 | 57.2° | 58.4° |
| H32 | C19 | C18 | H34 | 62.4° | 61.7° |
| H36 | C44 | H37 | H38 | 120.0° | 120.0° |
| H39 | C43 | H40 | H41 | 120.0° | 120.0° |
| H42 | C42 | H43 | H44 | 120.0° | 120.0° |
| H46 | C25 | O4 | H47 | 55.0° | 62.4° |
| H48 | N7 | C29 | H49 | 145.3° | 145.0° |
| H49 | C29 | C30 | H50 | 61.9° | 60.0° |
| H49 | C29 | C30 | H51 | 58.1° | 60.0° |
| H49 | C29 | C30 | H52 | 178.1° | 180.0° |
| H50 | C30 | H51 | H52 | 120.0° | 120.0° |
| H53 | C36 | C35 | H54 | 0.6° | 0.1° |
| H55 | C33 | C32 | H56 | 0.7° | 0.2° |
| H57 | C40 | H58 | H59 | 120.0° | 119.9° |
