Q3R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C29 | N5 | sing | 1.47Å | 1.46Å | |
| C28 | N4 | sing | 1.47Å | 1.46Å | |
| C30 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | C31 | sing | 1.47Å | 1.46Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| N4 | C27 | sing | 1.40Å | 1.43Å | |
| N4 | C32 | sing | 1.47Å | 1.47Å | |
| C25 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C33 | doub | 1.40Å | 1.41Å | Aromatic |
| C42 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | sing | 1.48Å | 1.49Å | |
| C24 | C41 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | N6 | sing | 1.40Å | 1.41Å | |
| C43 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.40Å | Aromatic |
| N6 | C34 | sing | 1.35Å | 1.35Å | |
| C20 | C19 | sing | 1.48Å | 1.50Å | |
| C20 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C36 | N7 | doub | 1.32Å | 1.35Å | Aromatic |
| C36 | C35 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| O3 | C19 | doub | 1.21Å | 1.23Å | |
| N7 | C37 | sing | 1.33Å | 1.36Å | Aromatic |
| C19 | N3 | sing | 1.35Å | 1.34Å | |
| C34 | C35 | sing | 1.48Å | 1.50Å | |
| C34 | O2 | doub | 1.22Å | 1.22Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C35 | C39 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| N3 | C18 | sing | 1.46Å | 1.46Å | |
| C37 | O1 | sing | 1.35Å | 1.33Å | |
| C37 | C38 | doub | 1.39Å | 1.40Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | sing | 1.51Å | 1.49Å | |
| F | C40 | sing | 1.40Å | 1.34Å | |
| C15 | N2 | sing | 1.35Å | 1.34Å | |
| C15 | O4 | doub | 1.21Å | 1.23Å | |
| O5 | C13 | doub | 1.21Å | 1.22Å | |
| N2 | C14 | sing | 1.47Å | 1.46Å | |
| C40 | F1 | sing | 1.40Å | 1.34Å | |
| C40 | F2 | sing | 1.40Å | 1.34Å | |
| C47 | C44 | sing | 1.53Å | 1.53Å | |
| C7 | N | sing | 1.47Å | 1.46Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| N | C8 | sing | 1.35Å | 1.34Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C13 | N1 | sing | 1.35Å | 1.35Å | |
| C14 | C44 | sing | 1.53Å | 1.56Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | O6 | doub | 1.21Å | 1.22Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C44 | C46 | sing | 1.53Å | 1.53Å | |
| C9 | N1 | sing | 1.47Å | 1.47Å | |
| C9 | C10 | sing | 1.54Å | 1.54Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C48 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C12 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C48 | C49 | doub | 1.38Å | 1.39Å | Aromatic |
| O | C11 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.55Å | 1.52Å | |
| C49 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.55Å | 1.52Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | sing | 1.48Å | 1.47Å | |
| C2 | C1 | doub | 1.35Å | 1.37Å | Aromatic |
| C2 | S | sing | 1.76Å | 1.74Å | Aromatic |
| C1 | N8 | sing | 1.31Å | 1.39Å | Aromatic |
| N8 | C50 | doub | 1.29Å | 1.30Å | Aromatic |
| S | C50 | sing | 1.71Å | 1.72Å | Aromatic |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C48 | H6 | sing | 1.08Å | 1.08Å | |
| C49 | H7 | sing | 1.08Å | 1.08Å | |
| C50 | H8 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| O | H16 | sing | 0.97Å | 0.95Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C47 | H20 | sing | 1.09Å | 1.10Å | |
| C47 | H21 | sing | 1.09Å | 1.10Å | |
| C47 | H22 | sing | 1.09Å | 1.10Å | |
| C46 | H23 | sing | 1.09Å | 1.10Å | |
| C46 | H24 | sing | 1.09Å | 1.10Å | |
| C46 | H25 | sing | 1.09Å | 1.10Å | |
| C45 | H26 | sing | 1.09Å | 1.10Å | |
| C45 | H27 | sing | 1.09Å | 1.10Å | |
| C45 | H28 | sing | 1.09Å | 1.10Å | |
| N2 | H29 | sing | 0.97Å | 1.00Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| N3 | H36 | sing | 0.97Å | 1.00Å | |
| C43 | H37 | sing | 1.08Å | 1.08Å | |
| C42 | H38 | sing | 1.08Å | 1.08Å | |
| C22 | H39 | sing | 1.08Å | 1.08Å | |
| C21 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C28 | H52 | sing | 1.09Å | 1.10Å | |
| C28 | H53 | sing | 1.09Å | 1.10Å | |
| C26 | H54 | sing | 1.08Å | 1.08Å | |
| C25 | H55 | sing | 1.08Å | 1.08Å | |
| N6 | H56 | sing | 0.97Å | 1.00Å | |
| C38 | H58 | sing | 1.08Å | 1.08Å | |
| C36 | H59 | sing | 1.08Å | 1.08Å | |
| O1 | H46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C29 | N5 | 111.0° | 109.4° |
| C29 | C28 | N4 | 111.2° | 109.3° |
| C28 | C29 | H50 | 109.1° | 109.5° |
| C28 | C29 | H51 | 109.1° | 109.5° |
| C29 | C28 | H52 | 109.1° | 109.5° |
| C29 | C28 | H53 | 109.1° | 109.5° |
| C29 | N5 | C30 | 110.9° | 111.0° |
| C29 | N5 | C31 | 109.0° | 110.9° |
| N5 | C29 | H50 | 109.1° | 109.5° |
| N5 | C29 | H51 | 109.1° | 109.5° |
| C28 | N4 | C27 | 117.4° | 111.0° |
| C28 | N4 | C32 | 112.6° | 110.9° |
| N4 | C28 | H52 | 109.0° | 109.5° |
| N4 | C28 | H53 | 109.0° | 109.5° |
| C30 | N5 | C31 | 110.4° | 111.0° |
| N5 | C30 | H47 | 109.5° | 109.5° |
| N5 | C30 | H48 | 109.5° | 109.4° |
| N5 | C30 | H49 | 109.5° | 109.4° |
| N5 | C31 | C32 | 110.8° | 109.4° |
| N5 | C31 | H44 | 109.1° | 109.5° |
| N5 | C31 | H45 | 109.2° | 109.5° |
| C25 | C26 | C27 | 119.9° | 120.1° |
| C26 | C25 | C24 | 121.3° | 120.1° |
| C25 | C26 | H54 | 120.1° | 120.0° |
| C26 | C25 | H55 | 119.3° | 119.9° |
| C26 | C27 | N4 | 120.6° | 120.0° |
| C26 | C27 | C33 | 119.3° | 120.1° |
| C27 | C26 | H54 | 120.0° | 119.9° |
| C27 | N4 | C32 | 118.9° | 111.0° |
| N4 | C27 | C33 | 119.4° | 120.0° |
| N4 | C32 | C31 | 111.4° | 109.3° |
| N4 | C32 | H42 | 109.0° | 109.5° |
| N4 | C32 | H43 | 109.0° | 109.5° |
| C25 | C24 | C23 | 122.3° | 120.0° |
| C25 | C24 | C41 | 118.5° | 119.9° |
| C24 | C25 | H55 | 119.3° | 120.0° |
| C27 | C33 | C41 | 119.9° | 119.9° |
| C27 | C33 | N6 | 121.6° | 120.0° |
| C43 | C42 | C23 | 121.1° | 120.0° |
| C42 | C43 | C20 | 120.7° | 120.0° |
| C42 | C43 | H37 | 119.6° | 120.0° |
| C43 | C42 | H38 | 119.5° | 120.0° |
| C42 | C23 | C24 | 122.4° | 120.0° |
| C42 | C23 | C22 | 117.5° | 120.1° |
| C23 | C42 | H38 | 119.4° | 120.0° |
| C31 | C32 | H42 | 109.0° | 109.5° |
| C31 | C32 | H43 | 109.0° | 109.5° |
| C32 | C31 | H44 | 109.2° | 109.5° |
| C32 | C31 | H45 | 109.1° | 109.5° |
| C23 | C24 | C41 | 119.2° | 120.1° |
| C24 | C23 | C22 | 120.1° | 119.9° |
| C24 | C41 | C33 | 120.9° | 119.9° |
| C24 | C41 | H41 | 119.6° | 120.0° |
| C41 | C33 | N6 | 118.2° | 120.1° |
| C33 | C41 | H41 | 119.6° | 120.1° |
| C33 | N6 | C34 | 131.4° | 120.0° |
| C33 | N6 | H56 | 114.3° | 120.0° |
| C43 | C20 | C19 | 125.0° | 120.1° |
| C43 | C20 | C21 | 118.3° | 119.9° |
| C20 | C43 | H37 | 119.6° | 120.0° |
| C23 | C22 | C21 | 121.6° | 120.0° |
| C23 | C22 | H39 | 119.2° | 120.0° |
| N6 | C34 | C35 | 117.4° | 120.0° |
| N6 | C34 | O2 | 122.2° | 120.0° |
| C34 | N6 | H56 | 114.3° | 120.0° |
| C19 | C20 | C21 | 116.7° | 120.0° |
| C20 | C19 | O3 | 120.8° | 120.0° |
| C20 | C19 | N3 | 116.7° | 120.0° |
| C20 | C21 | C22 | 120.8° | 120.0° |
| C20 | C21 | H40 | 119.6° | 120.0° |
| N7 | C36 | C35 | 124.6° | 120.6° |
| C36 | N7 | C37 | 117.0° | 121.8° |
| N7 | C36 | H59 | 117.7° | 119.7° |
| C36 | C35 | C34 | 118.4° | 120.5° |
| C36 | C35 | C39 | 116.4° | 119.0° |
| C35 | C36 | H59 | 117.7° | 119.7° |
| C21 | C22 | H39 | 119.2° | 120.0° |
| C22 | C21 | H40 | 119.6° | 120.0° |
| O3 | C19 | N3 | 122.5° | 120.0° |
| N7 | C37 | O1 | 119.2° | 119.5° |
| N7 | C37 | C38 | 123.3° | 120.9° |
| C19 | N3 | C18 | 123.4° | 120.0° |
| C19 | N3 | H36 | 118.3° | 120.0° |
| C35 | C34 | O2 | 120.4° | 120.0° |
| C34 | C35 | C39 | 121.9° | 120.5° |
| C16 | C17 | C18 | 114.3° | 109.5° |
| C17 | C16 | C15 | 113.7° | 109.5° |
| C17 | C16 | H30 | 108.4° | 109.5° |
| C17 | C16 | H31 | 108.4° | 109.5° |
| C16 | C17 | H32 | 108.2° | 109.5° |
| C16 | C17 | H33 | 108.2° | 109.4° |
| C17 | C18 | N3 | 111.6° | 109.5° |
| C18 | C17 | H32 | 108.3° | 109.5° |
| C18 | C17 | H33 | 108.2° | 109.5° |
| C17 | C18 | H34 | 108.9° | 109.5° |
| C17 | C18 | H35 | 108.9° | 109.5° |
| C35 | C39 | C38 | 120.8° | 118.4° |
| C35 | C39 | C40 | 123.0° | 120.8° |
| C16 | C15 | N2 | 116.1° | 120.0° |
| C16 | C15 | O4 | 120.4° | 120.0° |
| C15 | C16 | H30 | 108.4° | 109.5° |
| C15 | C16 | H31 | 108.4° | 109.4° |
| N3 | C18 | H34 | 108.9° | 109.4° |
| N3 | C18 | H35 | 108.9° | 109.5° |
| C18 | N3 | H36 | 118.3° | 120.0° |
| O1 | C37 | C38 | 117.5° | 119.6° |
| C37 | O1 | H46 | 109.5° | 114.0° |
| C37 | C38 | C39 | 118.0° | 119.3° |
| C37 | C38 | H58 | 121.0° | 120.3° |
| C38 | C39 | C40 | 116.2° | 120.8° |
| C39 | C38 | H58 | 121.0° | 120.4° |
| C39 | C40 | F | 112.1° | 109.5° |
| C39 | C40 | F1 | 111.3° | 109.5° |
| C39 | C40 | F2 | 111.9° | 109.5° |
| F | C40 | F1 | 107.7° | 109.4° |
| F | C40 | F2 | 105.8° | 109.5° |
| N2 | C15 | O4 | 123.5° | 120.0° |
| C15 | N2 | C14 | 124.4° | 120.0° |
| C15 | N2 | H29 | 117.8° | 120.0° |
| O5 | C13 | C14 | 119.5° | 120.0° |
| O5 | C13 | N1 | 121.2° | 120.0° |
| N2 | C14 | C13 | 107.3° | 109.5° |
| N2 | C14 | C44 | 112.2° | 109.5° |
| N2 | C14 | H19 | 108.2° | 109.5° |
| C14 | N2 | H29 | 117.8° | 119.9° |
| F1 | C40 | F2 | 107.8° | 109.5° |
| C47 | C44 | C14 | 110.9° | 109.4° |
| C47 | C44 | C45 | 108.7° | 109.5° |
| C47 | C44 | C46 | 107.9° | 109.5° |
| C44 | C47 | H20 | 109.5° | 109.5° |
| C44 | C47 | H21 | 109.5° | 109.5° |
| C44 | C47 | H22 | 109.5° | 109.5° |
| N | C7 | C6 | 114.1° | 109.5° |
| C7 | N | C8 | 122.6° | 120.0° |
| C7 | N | H1 | 118.7° | 120.0° |
| N | C7 | H2 | 108.3° | 109.4° |
| N | C7 | H3 | 108.3° | 109.4° |
| C7 | C6 | C5 | 120.9° | 119.8° |
| C7 | C6 | C48 | 120.8° | 119.9° |
| C6 | C7 | H2 | 108.3° | 109.5° |
| C6 | C7 | H3 | 108.3° | 109.5° |
| N | C8 | C9 | 115.9° | 120.0° |
| N | C8 | O6 | 123.3° | 120.0° |
| C8 | N | H1 | 118.7° | 120.0° |
| C14 | C13 | N1 | 119.3° | 120.0° |
| C13 | C14 | C44 | 114.7° | 109.5° |
| C13 | C14 | H19 | 107.2° | 109.5° |
| C13 | N1 | C9 | 119.2° | 125.6° |
| C13 | N1 | C12 | 129.1° | 125.7° |
| C14 | C44 | C45 | 107.8° | 109.4° |
| C14 | C44 | C46 | 113.2° | 109.5° |
| C44 | C14 | H19 | 107.0° | 109.5° |
| C9 | C8 | O6 | 120.8° | 120.0° |
| C8 | C9 | N1 | 115.0° | 109.9° |
| C8 | C9 | C10 | 110.1° | 109.9° |
| C8 | C9 | H12 | 109.0° | 109.9° |
| C45 | C44 | C46 | 108.2° | 109.5° |
| C44 | C45 | H26 | 109.5° | 109.5° |
| C44 | C45 | H27 | 109.5° | 109.4° |
| C44 | C45 | H28 | 109.5° | 109.5° |
| C44 | C46 | H23 | 109.5° | 109.5° |
| C44 | C46 | H24 | 109.5° | 109.5° |
| C44 | C46 | H25 | 109.5° | 109.5° |
| N1 | C9 | C10 | 104.0° | 107.3° |
| C9 | N1 | C12 | 111.6° | 108.7° |
| N1 | C9 | H12 | 109.7° | 109.9° |
| C9 | C10 | C11 | 104.9° | 102.9° |
| C10 | C9 | H12 | 108.8° | 110.0° |
| C9 | C10 | H17 | 110.6° | 110.7° |
| C9 | C10 | H18 | 110.6° | 110.7° |
| C5 | C6 | C48 | 118.3° | 120.3° |
| C6 | C5 | C4 | 121.1° | 120.1° |
| C6 | C5 | H4 | 119.5° | 119.9° |
| C6 | C48 | C49 | 121.0° | 120.2° |
| C6 | C48 | H6 | 119.5° | 120.0° |
| N1 | C12 | C11 | 103.0° | 104.9° |
| N1 | C12 | H13 | 111.1° | 110.4° |
| N1 | C12 | H14 | 111.1° | 110.4° |
| C5 | C4 | C3 | 120.6° | 119.9° |
| C4 | C5 | H4 | 119.4° | 120.0° |
| C5 | C4 | H5 | 119.7° | 120.1° |
| C48 | C49 | C3 | 120.6° | 119.8° |
| C49 | C48 | H6 | 119.5° | 119.9° |
| C48 | C49 | H7 | 119.7° | 120.1° |
| O | C11 | C10 | 112.1° | 111.1° |
| O | C11 | C12 | 111.2° | 111.0° |
| O | C11 | H15 | 110.8° | 110.9° |
| C11 | O | H16 | 109.5° | 114.0° |
| C10 | C11 | C12 | 103.3° | 101.6° |
| C10 | C11 | H15 | 109.6° | 111.0° |
| C11 | C10 | H17 | 110.6° | 110.7° |
| C11 | C10 | H18 | 110.6° | 110.7° |
| C49 | C3 | C4 | 118.4° | 119.7° |
| C49 | C3 | C2 | 120.8° | 120.2° |
| C3 | C49 | H7 | 119.7° | 120.0° |
| C4 | C3 | C2 | 120.7° | 120.2° |
| C3 | C4 | H5 | 119.7° | 120.0° |
| C11 | C12 | H13 | 111.1° | 110.3° |
| C11 | C12 | H14 | 111.1° | 110.4° |
| C12 | C11 | H15 | 109.6° | 111.0° |
| C | C1 | C2 | 126.7° | 122.9° |
| C | C1 | N8 | 118.5° | 122.9° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.4° | 109.5° |
| C1 | C | H11 | 109.5° | 109.4° |
| C3 | C2 | C1 | 130.9° | 126.1° |
| C3 | C2 | S | 119.1° | 126.1° |
| C1 | C2 | S | 109.8° | 107.8° |
| C2 | C1 | N8 | 114.8° | 114.3° |
| C2 | S | C50 | 88.9° | 90.3° |
| C1 | N8 | C50 | 110.5° | 117.2° |
| N8 | C50 | S | 116.0° | 110.4° |
| N8 | C50 | H8 | 122.0° | 124.8° |
| S | C50 | H8 | 122.0° | 124.8° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.5° | 109.4° |
| H10 | C | H11 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 110.4° |
| H17 | C10 | H18 | 109.5° | 110.9° |
| H20 | C47 | H21 | 109.4° | 109.4° |
| H20 | C47 | H22 | 109.4° | 109.5° |
| H21 | C47 | H22 | 109.5° | 109.4° |
| H23 | C46 | H24 | 109.5° | 109.5° |
| H23 | C46 | H25 | 109.4° | 109.5° |
| H24 | C46 | H25 | 109.5° | 109.4° |
| H26 | C45 | H27 | 109.5° | 109.4° |
| H26 | C45 | H28 | 109.5° | 109.5° |
| H27 | C45 | H28 | 109.4° | 109.5° |
| H30 | C16 | H31 | 109.5° | 109.4° |
| H32 | C17 | H33 | 109.5° | 109.4° |
| H34 | C18 | H35 | 109.5° | 109.5° |
| H42 | C32 | H43 | 109.5° | 109.5° |
| H44 | C31 | H45 | 109.4° | 109.5° |
| H47 | C30 | H48 | 109.5° | 109.5° |
| H47 | C30 | H49 | 109.5° | 109.5° |
| H48 | C30 | H49 | 109.4° | 109.5° |
| H50 | C29 | H51 | 109.5° | 109.5° |
| H52 | C28 | H53 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C29 | N5 | H50 | 120.2° | 119.9° |
| C28 | C29 | N5 | H51 | 120.2° | 120.0° |
| C29 | C28 | N4 | H52 | 120.3° | 120.0° |
| C29 | C28 | N4 | H53 | 120.3° | 119.9° |
| C28 | C29 | N5 | C30 | 178.4° | 176.8° |
| C28 | C29 | N5 | C31 | 59.9° | 59.3° |
| C29 | C28 | N4 | C27 | 165.2° | 176.8° |
| C29 | C28 | N4 | C32 | 51.1° | 59.3° |
| C28 | C29 | H50 | H51 | 119.3° | 120.0° |
| C29 | C28 | H52 | H53 | 119.2° | 120.1° |
| N5 | C29 | C28 | N4 | 55.4° | 58.4° |
| C29 | N5 | C30 | C31 | 120.9° | 123.8° |
| C29 | N5 | C31 | C32 | 60.5° | 59.3° |
| C29 | N5 | C31 | H44 | 59.8° | 179.3° |
| C29 | N5 | C31 | H45 | 179.4° | 60.7° |
| C29 | N5 | C30 | H47 | 180.0° | 63.8° |
| C29 | N5 | C30 | H48 | 60.0° | 56.2° |
| C29 | N5 | C30 | H49 | 60.0° | 176.2° |
| N5 | C29 | H50 | H51 | 119.3° | 120.1° |
| N5 | C29 | C28 | H52 | 64.8° | 178.4° |
| N5 | C29 | C28 | H53 | 175.7° | 61.6° |
| C28 | N4 | C27 | C26 | 72.0° | 63.8° |
| C28 | N4 | C27 | C32 | 141.3° | 123.8° |
| C28 | N4 | C27 | C33 | 117.3° | 116.2° |
| C28 | N4 | C32 | C31 | 51.9° | 59.3° |
| C28 | N4 | C32 | H42 | 68.4° | 60.7° |
| C28 | N4 | C32 | H43 | 172.2° | 179.3° |
| N4 | C28 | C29 | H50 | 64.8° | 178.3° |
| N4 | C28 | C29 | H51 | 175.6° | 61.6° |
| N4 | C28 | H52 | H53 | 119.2° | 120.1° |
| C30 | N5 | C31 | C32 | 177.5° | 176.8° |
| C30 | N5 | C31 | H44 | 62.2° | 56.9° |
| C30 | N5 | C31 | H45 | 57.4° | 63.1° |
| N5 | C30 | H47 | H48 | 120.0° | 119.9° |
| N5 | C30 | H47 | H49 | 120.0° | 120.0° |
| N5 | C30 | H48 | H49 | 120.0° | 120.0° |
| C30 | N5 | C29 | H50 | 61.3° | 56.9° |
| C30 | N5 | C29 | H51 | 58.2° | 63.2° |
| N5 | C31 | C32 | N4 | 56.6° | 58.4° |
| N5 | C31 | C32 | H44 | 120.2° | 119.9° |
| N5 | C31 | C32 | H45 | 120.2° | 120.0° |
| N5 | C31 | C32 | H42 | 63.7° | 61.5° |
| N5 | C31 | C32 | H43 | 176.9° | 178.4° |
| N5 | C31 | H44 | H45 | 119.4° | 120.0° |
| C31 | N5 | C30 | H47 | 59.1° | 60.0° |
| C31 | N5 | C30 | H48 | 60.9° | 180.0° |
| C31 | N5 | C30 | H49 | 179.1° | 60.1° |
| C31 | N5 | C29 | H50 | 60.4° | 179.2° |
| C31 | N5 | C29 | H51 | 179.9° | 60.7° |
| C25 | C26 | C27 | H54 | 180.0° | 179.5° |
| C25 | C26 | C27 | N4 | 167.4° | 179.8° |
| C26 | C25 | C24 | H55 | 180.0° | 179.5° |
| C25 | C26 | C27 | C33 | 3.4° | 0.3° |
| C26 | C25 | C24 | C23 | 179.4° | 179.8° |
| C26 | C25 | C24 | C41 | 1.4° | 0.5° |
| C26 | C27 | N4 | C33 | 170.8° | 179.9° |
| C26 | C27 | N4 | C32 | 146.7° | 60.0° |
| C27 | C26 | C25 | C24 | 0.1° | 0.5° |
| C26 | C27 | C33 | C41 | 5.6° | 0.0° |
| C26 | C27 | C33 | N6 | 178.5° | 180.0° |
| C27 | C26 | C25 | H55 | 179.9° | 179.9° |
| C27 | N4 | C32 | C31 | 165.1° | 176.8° |
| N4 | C27 | C33 | C41 | 165.3° | 180.0° |
| N4 | C27 | C33 | N6 | 7.6° | 0.0° |
| C27 | N4 | C32 | H42 | 74.6° | 63.2° |
| C27 | N4 | C32 | H43 | 44.8° | 56.8° |
| C27 | N4 | C28 | H52 | 74.5° | 56.8° |
| C27 | N4 | C28 | H53 | 44.9° | 63.3° |
| N4 | C27 | C26 | H54 | 12.6° | 0.3° |
| C32 | N4 | C27 | C33 | 24.1° | 119.9° |
| N4 | C32 | C31 | H42 | 120.3° | 120.0° |
| N4 | C32 | C31 | H43 | 120.3° | 120.0° |
| N4 | C32 | H42 | H43 | 119.1° | 120.0° |
| N4 | C32 | C31 | H44 | 63.6° | 178.4° |
| N4 | C32 | C31 | H45 | 176.8° | 61.6° |
| C32 | N4 | C28 | H52 | 69.2° | 179.3° |
| C32 | N4 | C28 | H53 | 171.4° | 60.6° |
| C25 | C24 | C23 | C42 | 14.1° | 0.3° |
| C25 | C24 | C23 | C41 | 179.1° | 179.7° |
| C25 | C24 | C41 | C33 | 0.8° | 0.2° |
| C25 | C24 | C23 | C22 | 167.8° | 179.7° |
| C25 | C24 | C41 | H41 | 179.2° | 179.8° |
| C24 | C25 | C26 | H54 | 179.9° | 180.0° |
| C27 | C33 | C41 | C24 | 4.3° | 0.0° |
| C27 | C33 | C41 | N6 | 173.1° | 180.0° |
| C27 | C33 | N6 | C34 | 137.7° | 154.6° |
| C27 | C33 | C41 | H41 | 175.7° | 180.0° |
| C33 | C27 | C26 | H54 | 176.5° | 179.8° |
| C27 | C33 | N6 | H56 | 42.3° | 25.4° |
| C43 | C42 | C23 | H38 | 180.0° | 180.0° |
| C43 | C42 | C23 | C24 | 178.1° | 180.0° |
| C42 | C43 | C20 | H37 | 180.0° | 180.0° |
| C43 | C42 | C23 | C22 | 0.1° | 0.0° |
| C42 | C43 | C20 | C19 | 178.6° | 180.0° |
| C42 | C43 | C20 | C21 | 1.1° | 0.2° |
| C42 | C23 | C24 | C22 | 178.1° | 180.0° |
| C42 | C23 | C24 | C41 | 165.0° | 180.0° |
| C23 | C42 | C43 | C20 | 0.7° | 0.0° |
| C42 | C23 | C22 | C21 | 0.6° | 0.3° |
| C23 | C42 | C43 | H37 | 179.2° | 180.0° |
| C42 | C23 | C22 | H39 | 179.5° | 180.0° |
| C31 | C32 | H42 | H43 | 119.1° | 120.1° |
| C32 | C31 | H44 | H45 | 119.4° | 120.1° |
| C23 | C24 | C41 | C33 | 178.4° | 179.9° |
| C24 | C23 | C22 | C21 | 177.7° | 179.7° |
| C24 | C23 | C42 | H38 | 1.9° | 0.0° |
| C24 | C23 | C22 | H39 | 2.3° | 0.0° |
| C23 | C24 | C41 | H41 | 1.6° | 0.0° |
| C23 | C24 | C25 | H55 | 0.6° | 0.3° |
| C24 | C41 | C33 | H41 | 180.0° | 180.0° |
| C24 | C41 | C33 | N6 | 177.4° | 180.0° |
| C41 | C24 | C23 | C22 | 13.1° | 0.0° |
| C41 | C24 | C25 | H55 | 178.5° | 180.0° |
| C41 | C33 | N6 | C34 | 35.3° | 25.4° |
| C41 | C33 | N6 | H56 | 144.7° | 154.6° |
| C33 | N6 | C34 | H56 | 180.0° | 180.0° |
| C33 | N6 | C34 | C35 | 159.2° | 174.3° |
| C33 | N6 | C34 | O2 | 18.6° | 5.6° |
| N6 | C33 | C41 | H41 | 2.6° | 0.0° |
| C43 | C20 | C19 | C21 | 179.6° | 179.8° |
| C43 | C20 | C21 | C22 | 0.6° | 0.5° |
| C43 | C20 | C19 | O3 | 24.7° | 179.7° |
| C43 | C20 | C19 | N3 | 155.8° | 0.2° |
| C20 | C43 | C42 | H38 | 179.2° | 180.0° |
| C43 | C20 | C21 | H40 | 179.4° | 179.8° |
| C23 | C22 | C21 | C20 | 0.2° | 0.5° |
| C23 | C22 | C21 | H39 | 180.0° | 179.7° |
| C22 | C23 | C42 | H38 | 179.9° | 180.0° |
| C23 | C22 | C21 | H40 | 179.8° | 179.8° |
| N6 | C34 | C35 | C36 | 64.8° | 0.3° |
| N6 | C34 | C35 | O2 | 177.9° | 180.0° |
| N6 | C34 | C35 | C39 | 136.5° | 179.9° |
| C19 | C20 | C21 | C22 | 179.1° | 179.7° |
| C20 | C19 | O3 | N3 | 179.5° | 179.9° |
| C20 | C19 | N3 | C18 | 177.3° | 180.0° |
| C20 | C19 | N3 | H36 | 2.7° | 0.1° |
| C19 | C20 | C43 | H37 | 1.5° | 0.0° |
| C19 | C20 | C21 | H40 | 0.9° | 0.0° |
| C20 | C21 | C22 | H40 | 180.0° | 179.7° |
| C21 | C20 | C19 | O3 | 155.7° | 0.1° |
| C21 | C20 | C19 | N3 | 23.9° | 180.0° |
| C21 | C20 | C43 | H37 | 178.9° | 179.8° |
| C20 | C21 | C22 | H39 | 179.8° | 179.7° |
| N7 | C36 | C35 | H59 | 180.0° | 179.4° |
| N7 | C36 | C35 | C34 | 160.4° | 179.7° |
| N7 | C36 | C35 | C39 | 0.6° | 0.5° |
| C36 | N7 | C37 | O1 | 176.6° | 179.7° |
| C36 | N7 | C37 | C38 | 1.2° | 0.3° |
| C35 | C36 | N7 | C37 | 0.6° | 0.6° |
| C36 | C35 | C34 | C39 | 158.6° | 179.7° |
| C36 | C35 | C34 | O2 | 113.0° | 179.7° |
| C36 | C35 | C39 | C38 | 1.4° | 0.2° |
| C36 | C35 | C39 | C40 | 176.1° | 179.7° |
| O3 | C19 | N3 | C18 | 3.1° | 0.1° |
| O3 | C19 | N3 | H36 | 176.9° | 180.0° |
| N7 | C37 | O1 | C38 | 177.9° | 180.0° |
| N7 | C37 | C38 | C39 | 0.5° | 0.0° |
| N7 | C37 | C38 | H58 | 179.5° | 180.0° |
| C37 | N7 | C36 | H59 | 179.4° | 180.0° |
| N7 | C37 | O1 | H46 | 0.0° | 90.0° |
| C19 | N3 | C18 | C17 | 92.3° | 180.0° |
| C19 | N3 | C18 | H36 | 180.0° | 179.9° |
| C19 | N3 | C18 | H34 | 147.4° | 60.1° |
| C19 | N3 | C18 | H35 | 28.0° | 59.9° |
| C34 | C35 | C39 | C38 | 160.4° | 180.0° |
| C34 | C35 | C39 | C40 | 17.0° | 0.1° |
| C35 | C34 | N6 | H56 | 20.8° | 5.7° |
| C34 | C35 | C36 | H59 | 19.6° | 0.3° |
| O2 | C34 | C35 | C39 | 45.6° | 0.0° |
| O2 | C34 | N6 | H56 | 161.4° | 174.4° |
| C16 | C17 | C18 | H32 | 120.7° | 120.0° |
| C16 | C17 | C18 | H33 | 120.7° | 120.0° |
| C17 | C16 | C15 | H30 | 120.6° | 120.1° |
| C17 | C16 | C15 | H31 | 120.6° | 120.0° |
| C16 | C17 | C18 | N3 | 163.8° | 180.0° |
| C17 | C16 | C15 | N2 | 57.4° | 180.0° |
| C17 | C16 | C15 | O4 | 123.7° | 0.0° |
| C17 | C16 | H30 | H31 | 118.1° | 120.0° |
| C16 | C17 | H32 | H33 | 117.8° | 120.0° |
| C16 | C17 | C18 | H34 | 75.9° | 60.0° |
| C16 | C17 | C18 | H35 | 43.5° | 60.0° |
| C18 | C17 | C16 | C15 | 64.5° | 180.0° |
| C17 | C18 | N3 | H34 | 120.3° | 120.0° |
| C17 | C18 | N3 | H35 | 120.3° | 120.1° |
| C18 | C17 | C16 | H30 | 174.9° | 60.0° |
| C18 | C17 | C16 | H31 | 56.2° | 60.0° |
| C18 | C17 | H32 | H33 | 117.8° | 120.0° |
| C17 | C18 | H34 | H35 | 119.0° | 120.0° |
| C17 | C18 | N3 | H36 | 87.7° | 0.0° |
| C35 | C39 | C38 | C37 | 0.9° | 0.1° |
| C35 | C39 | C38 | C40 | 177.6° | 179.9° |
| C35 | C39 | C40 | F | 48.1° | 60.1° |
| C35 | C39 | C40 | F1 | 168.8° | 180.0° |
| C35 | C39 | C40 | F2 | 70.6° | 60.0° |
| C35 | C39 | C38 | H58 | 179.1° | 180.0° |
| C39 | C35 | C36 | H59 | 179.4° | 180.0° |
| C16 | C15 | N2 | O4 | 178.9° | 180.0° |
| C16 | C15 | N2 | C14 | 170.5° | 180.0° |
| C16 | C15 | N2 | H29 | 9.5° | 0.0° |
| C15 | C16 | H30 | H31 | 118.0° | 119.9° |
| C15 | C16 | C17 | H32 | 174.8° | 59.9° |
| C15 | C16 | C17 | H33 | 56.2° | 60.0° |
| N3 | C18 | C17 | H32 | 43.1° | 60.0° |
| N3 | C18 | C17 | H33 | 75.5° | 60.0° |
| N3 | C18 | H34 | H35 | 119.0° | 120.0° |
| O1 | C37 | C38 | C39 | 177.4° | 180.0° |
| O1 | C37 | C38 | H58 | 2.6° | 0.0° |
| C37 | C38 | C39 | H58 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 176.8° | 180.0° |
| C38 | C37 | O1 | H46 | 177.9° | 90.0° |
| C38 | C39 | C40 | F | 134.3° | 120.0° |
| C38 | C39 | C40 | F1 | 13.7° | 0.1° |
| C38 | C39 | C40 | F2 | 106.9° | 119.9° |
| C39 | C40 | F | F1 | 122.7° | 120.0° |
| C39 | C40 | F | F2 | 122.2° | 120.0° |
| C39 | C40 | F1 | F2 | 123.0° | 120.0° |
| C40 | C39 | C38 | H58 | 3.3° | 0.1° |
| F | C40 | F1 | F2 | 113.8° | 120.0° |
| C15 | N2 | C14 | H29 | 180.0° | 180.0° |
| C15 | N2 | C14 | C13 | 113.9° | 155.0° |
| C15 | N2 | C14 | C44 | 119.3° | 85.0° |
| C15 | N2 | C14 | H19 | 1.5° | 34.9° |
| N2 | C15 | C16 | H30 | 63.3° | 59.9° |
| N2 | C15 | C16 | H31 | 178.0° | 59.9° |
| O4 | C15 | N2 | C14 | 10.7° | 0.1° |
| O4 | C15 | N2 | H29 | 169.3° | 180.0° |
| O4 | C15 | C16 | H30 | 115.6° | 120.1° |
| O4 | C15 | C16 | H31 | 3.1° | 120.0° |
| O5 | C13 | C14 | N2 | 40.5° | 33.2° |
| O5 | C13 | C14 | N1 | 177.7° | 179.9° |
| O5 | C13 | C14 | C44 | 84.8° | 86.8° |
| O5 | C13 | N1 | C9 | 2.7° | 3.7° |
| O5 | C13 | N1 | C12 | 173.8° | 176.3° |
| O5 | C13 | C14 | H19 | 156.6° | 153.2° |
| N2 | C14 | C44 | C47 | 42.8° | 64.4° |
| N2 | C14 | C13 | C44 | 125.3° | 120.0° |
| N2 | C14 | C13 | H19 | 116.1° | 120.0° |
| N2 | C14 | C13 | N1 | 137.2° | 146.7° |
| N2 | C14 | C44 | H19 | 118.5° | 120.0° |
| N2 | C14 | C44 | C45 | 76.1° | 175.6° |
| N2 | C14 | C44 | C46 | 164.2° | 55.6° |
| C47 | C44 | C14 | C13 | 80.0° | 175.6° |
| C47 | C44 | C14 | C45 | 118.9° | 120.0° |
| C47 | C44 | C14 | C46 | 121.4° | 120.0° |
| C47 | C44 | C45 | C46 | 116.9° | 120.1° |
| C47 | C44 | C14 | H19 | 161.3° | 55.6° |
| C44 | C47 | H20 | H21 | 120.0° | 120.0° |
| C44 | C47 | H20 | H22 | 120.0° | 120.1° |
| C44 | C47 | H21 | H22 | 120.0° | 120.0° |
| C47 | C44 | C46 | H23 | 180.0° | 179.9° |
| C47 | C44 | C46 | H24 | 60.0° | 60.0° |
| C47 | C44 | C46 | H25 | 60.0° | 60.0° |
| C47 | C44 | C45 | H26 | 180.0° | 55.8° |
| C47 | C44 | C45 | H27 | 60.0° | 64.1° |
| C47 | C44 | C45 | H28 | 60.0° | 175.8° |
| N | C7 | C6 | H2 | 120.7° | 120.0° |
| N | C7 | C6 | H3 | 120.7° | 120.0° |
| C7 | N | C8 | H1 | 180.0° | 179.9° |
| C7 | N | C8 | C9 | 172.2° | 180.0° |
| C7 | N | C8 | O6 | 6.8° | 0.3° |
| N | C7 | C6 | C5 | 25.8° | 90.0° |
| N | C7 | C6 | C48 | 155.2° | 90.3° |
| N | C7 | H2 | H3 | 117.9° | 120.0° |
| C6 | C7 | N | C8 | 94.7° | 179.9° |
| C7 | C6 | C5 | C48 | 179.0° | 179.8° |
| C7 | C6 | C5 | C4 | 179.2° | 180.0° |
| C7 | C6 | C48 | C49 | 178.7° | 180.0° |
| C6 | C7 | N | H1 | 85.4° | 0.0° |
| C6 | C7 | H2 | H3 | 117.9° | 120.0° |
| C7 | C6 | C5 | H4 | 0.8° | 0.0° |
| C7 | C6 | C48 | H6 | 1.3° | 0.0° |
| N | C8 | C9 | O6 | 179.0° | 179.7° |
| N | C8 | C9 | N1 | 150.7° | 179.7° |
| N | C8 | C9 | C10 | 92.2° | 62.4° |
| C8 | N | C7 | H2 | 26.0° | 60.1° |
| C8 | N | C7 | H3 | 144.7° | 60.0° |
| N | C8 | C9 | H12 | 27.0° | 58.7° |
| C13 | C14 | C44 | H19 | 118.8° | 120.0° |
| C13 | C14 | C44 | C45 | 161.2° | 55.6° |
| C13 | C14 | C44 | C46 | 41.4° | 64.4° |
| C14 | C13 | N1 | C9 | 179.7° | 176.2° |
| C14 | C13 | N1 | C12 | 3.8° | 3.8° |
| C13 | C14 | N2 | H29 | 66.1° | 25.0° |
| N1 | C13 | C14 | C44 | 97.5° | 93.3° |
| C13 | N1 | C9 | C8 | 65.8° | 61.6° |
| C13 | N1 | C9 | C12 | 177.1° | 180.0° |
| C13 | N1 | C9 | C10 | 173.6° | 178.9° |
| C13 | N1 | C12 | C11 | 152.2° | 155.9° |
| C13 | N1 | C9 | H12 | 57.4° | 59.4° |
| C13 | N1 | C12 | H13 | 33.2° | 37.0° |
| C13 | N1 | C12 | H14 | 88.9° | 85.3° |
| N1 | C13 | C14 | H19 | 21.1° | 26.7° |
| C14 | C44 | C45 | C46 | 122.8° | 120.0° |
| C14 | C44 | C47 | H20 | 180.0° | 60.0° |
| C14 | C44 | C47 | H21 | 60.0° | 180.0° |
| C14 | C44 | C47 | H22 | 60.0° | 60.0° |
| C14 | C44 | C46 | H23 | 56.9° | 60.0° |
| C14 | C44 | C46 | H24 | 176.9° | 180.0° |
| C14 | C44 | C46 | H25 | 63.1° | 60.0° |
| C14 | C44 | C45 | H26 | 59.7° | 64.2° |
| C14 | C44 | C45 | H27 | 60.3° | 175.9° |
| C14 | C44 | C45 | H28 | 179.8° | 55.8° |
| C44 | C14 | N2 | H29 | 60.7° | 95.0° |
| C8 | C9 | N1 | C10 | 120.5° | 119.4° |
| C8 | C9 | N1 | H12 | 123.2° | 121.0° |
| C8 | C9 | C10 | H12 | 119.4° | 121.1° |
| C8 | C9 | N1 | C12 | 117.1° | 118.3° |
| C8 | C9 | C10 | C11 | 142.9° | 141.6° |
| C9 | C8 | N | H1 | 7.8° | 0.1° |
| C8 | C9 | C10 | H17 | 23.7° | 23.3° |
| C8 | C9 | C10 | H18 | 97.8° | 100.0° |
| O6 | C8 | C9 | N1 | 30.3° | 0.0° |
| O6 | C8 | C9 | C10 | 86.8° | 117.8° |
| O6 | C8 | N | H1 | 173.2° | 179.7° |
| O6 | C8 | C9 | H12 | 154.0° | 121.0° |
| C45 | C44 | C14 | H19 | 42.4° | 64.4° |
| C45 | C44 | C47 | H20 | 61.6° | 180.0° |
| C45 | C44 | C47 | H21 | 58.4° | 60.0° |
| C45 | C44 | C47 | H22 | 178.4° | 59.9° |
| C45 | C44 | C46 | H23 | 62.6° | 60.0° |
| C45 | C44 | C46 | H24 | 57.4° | 60.1° |
| C45 | C44 | C46 | H25 | 177.4° | 180.0° |
| C44 | C45 | H26 | H27 | 120.0° | 119.9° |
| C44 | C45 | H26 | H28 | 120.0° | 120.1° |
| C44 | C45 | H27 | H28 | 120.0° | 120.0° |
| C46 | C44 | C14 | H19 | 77.3° | 175.6° |
| C46 | C44 | C47 | H20 | 55.5° | 60.0° |
| C46 | C44 | C47 | H21 | 175.5° | 60.0° |
| C46 | C44 | C47 | H22 | 64.5° | 180.0° |
| C44 | C46 | H23 | H24 | 120.0° | 120.0° |
| C44 | C46 | H23 | H25 | 120.0° | 120.0° |
| C44 | C46 | H24 | H25 | 120.0° | 120.0° |
| C46 | C44 | C45 | H26 | 63.1° | 175.8° |
| C46 | C44 | C45 | H27 | 176.9° | 55.9° |
| C46 | C44 | C45 | H28 | 56.9° | 64.1° |
| N1 | C9 | C10 | H12 | 116.9° | 119.4° |
| N1 | C9 | C10 | C11 | 19.2° | 22.2° |
| C9 | N1 | C12 | C11 | 24.5° | 24.2° |
| C9 | N1 | C12 | H13 | 143.5° | 143.0° |
| C9 | N1 | C12 | H14 | 94.4° | 94.7° |
| N1 | C9 | C10 | H17 | 100.0° | 96.2° |
| N1 | C9 | C10 | H18 | 138.5° | 140.5° |
| C10 | C9 | N1 | C12 | 3.4° | 1.1° |
| C9 | C10 | C11 | O | 85.9° | 82.6° |
| C9 | C10 | C11 | H17 | 119.3° | 118.3° |
| C9 | C10 | C11 | H18 | 119.3° | 118.3° |
| C9 | C10 | C11 | C12 | 33.9° | 35.5° |
| C9 | C10 | C11 | H15 | 150.6° | 153.5° |
| C9 | C10 | H17 | H18 | 122.1° | 123.2° |
| C6 | C5 | C4 | H4 | 180.0° | 179.9° |
| C5 | C6 | C48 | C49 | 0.4° | 0.2° |
| C6 | C5 | C4 | C3 | 0.6° | 0.1° |
| C5 | C6 | C7 | H2 | 146.4° | 30.0° |
| C5 | C6 | C7 | H3 | 94.9° | 150.1° |
| C6 | C5 | C4 | H5 | 179.3° | 180.0° |
| C5 | C6 | C48 | H6 | 179.6° | 179.8° |
| C48 | C6 | C5 | C4 | 0.2° | 0.2° |
| C6 | C48 | C49 | H6 | 180.0° | 180.0° |
| C6 | C48 | C49 | C3 | 0.4° | 0.1° |
| C48 | C6 | C7 | H2 | 34.6° | 149.8° |
| C48 | C6 | C7 | H3 | 84.1° | 29.7° |
| C48 | C6 | C5 | H4 | 179.8° | 179.8° |
| C6 | C48 | C49 | H7 | 179.6° | 180.0° |
| N1 | C12 | C11 | O | 85.1° | 81.1° |
| N1 | C12 | C11 | C10 | 35.4° | 37.0° |
| N1 | C12 | C11 | H13 | 118.9° | 118.9° |
| N1 | C12 | C11 | H14 | 118.9° | 118.9° |
| C12 | N1 | C9 | H12 | 119.7° | 120.6° |
| N1 | C12 | H13 | H14 | 123.0° | 122.3° |
| N1 | C12 | C11 | H15 | 152.0° | 155.1° |
| C5 | C4 | C3 | C49 | 0.5° | 0.3° |
| C5 | C4 | C3 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 177.3° | 179.9° |
| C48 | C49 | C3 | H7 | 180.0° | 180.0° |
| C48 | C49 | C3 | C4 | 0.0° | 0.3° |
| C48 | C49 | C3 | C2 | 176.8° | 179.9° |
| O | C11 | C10 | C12 | 119.8° | 118.1° |
| O | C11 | C10 | H15 | 123.4° | 123.8° |
| O | C11 | C12 | H15 | 122.9° | 123.8° |
| O | C11 | C12 | H13 | 33.8° | 37.8° |
| O | C11 | C12 | H14 | 155.9° | 160.0° |
| O | C11 | C10 | H17 | 154.8° | 159.1° |
| O | C11 | C10 | H18 | 33.3° | 35.7° |
| C10 | C11 | C12 | H15 | 116.7° | 118.0° |
| C11 | C10 | C9 | H12 | 97.7° | 97.3° |
| C10 | C11 | C12 | H13 | 154.3° | 155.9° |
| C10 | C11 | C12 | H14 | 83.6° | 81.8° |
| C10 | C11 | O | H16 | 180.0° | 173.7° |
| C11 | C10 | H17 | H18 | 122.1° | 123.3° |
| C49 | C3 | C4 | C2 | 176.8° | 179.8° |
| C49 | C3 | C2 | C1 | 44.9° | 132.8° |
| C49 | C3 | C2 | S | 128.9° | 46.9° |
| C49 | C3 | C4 | H5 | 179.4° | 179.8° |
| C3 | C49 | C48 | H6 | 179.5° | 180.0° |
| C4 | C3 | C2 | C1 | 138.4° | 47.5° |
| C4 | C3 | C2 | S | 47.7° | 132.9° |
| C3 | C4 | C5 | H4 | 179.4° | 180.0° |
| C4 | C3 | C49 | H7 | 180.0° | 179.7° |
| C11 | C12 | H13 | H14 | 123.0° | 122.2° |
| C12 | C11 | O | H16 | 64.9° | 61.5° |
| C12 | C11 | C10 | H17 | 85.3° | 82.8° |
| C12 | C11 | C10 | H18 | 153.2° | 153.8° |
| C | C1 | C2 | C3 | 6.6° | 0.0° |
| C | C1 | C2 | N8 | 179.7° | 179.8° |
| C | C1 | C2 | S | 179.0° | 179.7° |
| C | C1 | N8 | C50 | 179.4° | 179.7° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H11 | 120.0° | 119.9° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C3 | C2 | C1 | S | 174.3° | 179.7° |
| C3 | C2 | C1 | N8 | 173.1° | 179.8° |
| C3 | C2 | S | C50 | 174.1° | 180.0° |
| C2 | C3 | C4 | H5 | 2.7° | 0.0° |
| C2 | C3 | C49 | H7 | 3.2° | 0.0° |
| C2 | C1 | N8 | C50 | 0.8° | 0.6° |
| C1 | C2 | S | C50 | 1.0° | 0.3° |
| C2 | C1 | C | H9 | 179.6° | 94.1° |
| C2 | C1 | C | H10 | 59.7° | 145.9° |
| C2 | C1 | C | H11 | 60.3° | 25.8° |
| S | C2 | C1 | N8 | 1.3° | 0.5° |
| C2 | S | C50 | N8 | 0.6° | 0.0° |
| C2 | S | C50 | H8 | 179.4° | 180.0° |
| C1 | N8 | C50 | S | 0.0° | 0.3° |
| C1 | N8 | C50 | H8 | 180.0° | 179.7° |
| N8 | C1 | C | H9 | 0.0° | 85.7° |
| N8 | C1 | C | H10 | 120.0° | 34.4° |
| N8 | C1 | C | H11 | 120.0° | 154.4° |
| N8 | C50 | S | H8 | 180.0° | 179.9° |
| H1 | N | C7 | H2 | 154.0° | 120.0° |
| H1 | N | C7 | H3 | 35.3° | 120.0° |
| H4 | C5 | C4 | H5 | 0.7° | 0.1° |
| H6 | C48 | C49 | H7 | 0.4° | 0.0° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
| H12 | C9 | C10 | H17 | 143.0° | 144.4° |
| H12 | C9 | C10 | H18 | 21.6° | 21.1° |
| H13 | C12 | C11 | H15 | 89.0° | 86.1° |
| H14 | C12 | C11 | H15 | 33.1° | 36.2° |
| H15 | C11 | O | H16 | 57.3° | 62.4° |
| H15 | C11 | C10 | H17 | 31.4° | 35.3° |
| H15 | C11 | C10 | H18 | 90.1° | 88.1° |
| H19 | C14 | N2 | H29 | 178.5° | 145.0° |
| H20 | C47 | H21 | H22 | 119.9° | 120.0° |
| H23 | C46 | H24 | H25 | 120.0° | 120.0° |
| H26 | C45 | H27 | H28 | 120.0° | 120.0° |
| H30 | C16 | C17 | H32 | 54.2° | 180.0° |
| H30 | C16 | C17 | H33 | 64.4° | 60.0° |
| H31 | C16 | C17 | H32 | 64.6° | 60.0° |
| H31 | C16 | C17 | H33 | 176.9° | 180.0° |
| H32 | C17 | C18 | H34 | 163.4° | 180.0° |
| H32 | C17 | C18 | H35 | 77.2° | 60.0° |
| H33 | C17 | C18 | H34 | 44.8° | 60.0° |
| H33 | C17 | C18 | H35 | 164.2° | 180.0° |
| H34 | C18 | N3 | H36 | 32.6° | 120.0° |
| H35 | C18 | N3 | H36 | 151.9° | 120.0° |
| H37 | C43 | C42 | H38 | 0.8° | 0.0° |
| H39 | C22 | C21 | H40 | 0.2° | 0.0° |
| H42 | C32 | C31 | H44 | 176.1° | 58.4° |
| H42 | C32 | C31 | H45 | 56.5° | 178.4° |
| H43 | C32 | C31 | H44 | 56.7° | 61.7° |
| H43 | C32 | C31 | H45 | 62.9° | 58.3° |
| H47 | C30 | H48 | H49 | 120.0° | 120.1° |
| H50 | C29 | C28 | H52 | 174.9° | 61.7° |
| H50 | C29 | C28 | H53 | 55.5° | 58.4° |
| H51 | C29 | C28 | H52 | 55.4° | 58.4° |
| H51 | C29 | C28 | H53 | 64.1° | 178.5° |
| H54 | C26 | C25 | H55 | 0.1° | 0.4° |
