QIK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N8 | N7 | sing | 1.29Å | 1.40Å | Aromatic |
| N8 | C32 | doub | 1.31Å | 1.31Å | Aromatic |
| N7 | C31 | doub | 1.30Å | 1.31Å | Aromatic |
| N5 | C27 | sing | 1.46Å | 1.45Å | |
| N5 | C28 | sing | 1.35Å | 1.34Å | |
| C29 | C28 | sing | 1.51Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C27 | C16 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.51Å | 1.48Å | |
| C32 | N9 | sing | 1.35Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C28 | O5 | doub | 1.21Å | 1.23Å | |
| C31 | C30 | sing | 1.51Å | 1.50Å | |
| C31 | N9 | sing | 1.36Å | 1.39Å | Aromatic |
| C30 | N6 | sing | 1.46Å | 1.47Å | |
| N9 | C34 | sing | 1.40Å | 1.39Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C34 | S2 | sing | 1.71Å | 1.72Å | Aromatic |
| C34 | C39 | doub | 1.38Å | 1.41Å | Aromatic |
| N6 | C40 | doub | 1.29Å | 1.29Å | |
| S2 | C35 | sing | 1.75Å | 1.72Å | Aromatic |
| C14 | N2 | sing | 1.47Å | 1.46Å | |
| C40 | C39 | sing | 1.48Å | 1.47Å | |
| C40 | C41 | sing | 1.48Å | 1.49Å | |
| C39 | C37 | sing | 1.45Å | 1.44Å | Aromatic |
| C35 | C37 | doub | 1.32Å | 1.37Å | Aromatic |
| C35 | C36 | sing | 1.51Å | 1.50Å | |
| N2 | C13 | sing | 1.35Å | 1.34Å | |
| C37 | C38 | sing | 1.51Å | 1.51Å | |
| C41 | C42 | doub | 1.40Å | 1.39Å | Aromatic |
| C41 | C46 | sing | 1.39Å | 1.39Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | O1 | doub | 1.21Å | 1.23Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C46 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C44 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| N1 | C2 | sing | 1.31Å | 1.38Å | Aromatic |
| N1 | C3 | doub | 1.29Å | 1.30Å | Aromatic |
| C2 | C4 | doub | 1.35Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C45 | C44 | sing | 1.38Å | 1.38Å | Aromatic |
| C44 | CL1 | sing | 1.74Å | 1.74Å | |
| C7 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | S1 | sing | 1.71Å | 1.72Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.48Å | |
| C4 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C5 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | N3 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| O4 | C22 | doub | 1.21Å | 1.22Å | |
| N3 | C17 | sing | 1.35Å | 1.35Å | |
| C49 | C47 | sing | 1.41Å | 1.42Å | Aromatic |
| C49 | C50 | doub | 1.35Å | 1.34Å | Aromatic |
| C48 | C47 | sing | 1.51Å | 1.50Å | |
| O2 | C17 | doub | 1.21Å | 1.23Å | |
| C47 | N10 | doub | 1.30Å | 1.30Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | N4 | sing | 1.35Å | 1.35Å | |
| C50 | C23 | sing | 1.51Å | 1.50Å | |
| C50 | O6 | sing | 1.34Å | 1.35Å | Aromatic |
| N10 | O6 | sing | 1.21Å | 1.42Å | Aromatic |
| C18 | N4 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | sing | 1.54Å | 1.54Å | |
| N4 | C21 | sing | 1.47Å | 1.47Å | |
| C21 | C20 | sing | 1.55Å | 1.52Å | |
| C19 | C20 | sing | 1.55Å | 1.52Å | |
| C20 | O3 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| O3 | H24 | sing | 0.97Å | 0.95Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| N5 | H37 | sing | 0.97Å | 1.00Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| C36 | H48 | sing | 1.09Å | 1.10Å | |
| C36 | H49 | sing | 1.09Å | 1.10Å | |
| C36 | H50 | sing | 1.09Å | 1.10Å | |
| C38 | H51 | sing | 1.09Å | 1.10Å | |
| C38 | H52 | sing | 1.09Å | 1.10Å | |
| C38 | H53 | sing | 1.09Å | 1.10Å | |
| C42 | H55 | sing | 1.08Å | 1.08Å | |
| C43 | H56 | sing | 1.08Å | 1.08Å | |
| C45 | H57 | sing | 1.08Å | 1.08Å | |
| C46 | H58 | sing | 1.08Å | 1.08Å | |
| C48 | H59 | sing | 1.09Å | 1.10Å | |
| C48 | H60 | sing | 1.09Å | 1.10Å | |
| C48 | H61 | sing | 1.09Å | 1.10Å | |
| C49 | H62 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | N8 | C32 | 107.4° | 110.0° |
| N8 | N7 | C31 | 107.7° | 109.7° |
| N8 | C32 | C33 | 126.8° | 126.6° |
| N8 | C32 | N9 | 110.8° | 106.7° |
| N7 | C31 | C30 | 127.8° | 127.9° |
| N7 | C31 | N9 | 110.2° | 107.1° |
| C27 | N5 | C28 | 124.1° | 120.0° |
| N5 | C27 | C16 | 111.2° | 109.5° |
| N5 | C27 | H35 | 109.0° | 109.5° |
| N5 | C27 | H36 | 109.0° | 109.4° |
| C27 | N5 | H37 | 117.9° | 120.0° |
| N5 | C28 | C29 | 116.3° | 120.0° |
| N5 | C28 | O5 | 121.6° | 120.0° |
| C28 | N5 | H37 | 117.9° | 120.0° |
| C28 | C29 | C30 | 113.8° | 109.5° |
| C29 | C28 | O5 | 122.0° | 120.0° |
| C28 | C29 | H38 | 108.4° | 109.5° |
| C28 | C29 | H39 | 108.4° | 109.5° |
| C29 | C30 | C31 | 113.6° | 109.5° |
| C29 | C30 | N6 | 106.6° | 109.5° |
| C30 | C29 | H38 | 108.4° | 109.4° |
| C30 | C29 | H39 | 108.4° | 109.4° |
| C29 | C30 | H40 | 107.9° | 109.5° |
| C27 | C16 | C15 | 113.4° | 109.5° |
| C27 | C16 | H17 | 108.5° | 109.5° |
| C27 | C16 | H18 | 108.5° | 109.5° |
| C16 | C27 | H35 | 109.0° | 109.5° |
| C16 | C27 | H36 | 109.1° | 109.5° |
| C33 | C32 | N9 | 122.4° | 126.6° |
| C32 | C33 | H43 | 109.5° | 109.5° |
| C32 | C33 | H44 | 109.4° | 109.5° |
| C32 | C33 | H45 | 109.5° | 109.4° |
| C32 | N9 | C31 | 103.9° | 106.5° |
| C32 | N9 | C34 | 133.2° | 128.9° |
| C16 | C15 | C14 | 113.6° | 109.5° |
| C16 | C15 | H15 | 108.4° | 109.5° |
| C16 | C15 | H16 | 108.4° | 109.4° |
| C15 | C16 | H17 | 108.5° | 109.4° |
| C15 | C16 | H18 | 108.5° | 109.4° |
| C30 | C31 | N9 | 122.0° | 125.1° |
| C31 | C30 | N6 | 111.8° | 109.2° |
| C31 | C30 | H40 | 108.2° | 109.6° |
| C31 | N9 | C34 | 122.9° | 124.5° |
| C30 | N6 | C40 | 125.2° | 122.5° |
| N6 | C30 | H40 | 108.6° | 109.5° |
| N9 | C34 | S2 | 121.0° | 124.9° |
| N9 | C34 | C39 | 126.5° | 124.0° |
| C15 | C14 | N2 | 112.0° | 109.5° |
| C15 | C14 | H13 | 108.8° | 109.5° |
| C15 | C14 | H14 | 108.9° | 109.5° |
| C14 | C15 | H15 | 108.4° | 109.5° |
| C14 | C15 | H16 | 108.4° | 109.5° |
| S2 | C34 | C39 | 112.1° | 111.0° |
| C34 | S2 | C35 | 90.8° | 92.6° |
| C34 | C39 | C40 | 120.0° | 124.8° |
| C34 | C39 | C37 | 110.4° | 111.7° |
| N6 | C40 | C39 | 123.1° | 125.9° |
| N6 | C40 | C41 | 116.4° | 117.1° |
| S2 | C35 | C37 | 112.2° | 110.7° |
| S2 | C35 | C36 | 117.2° | 124.6° |
| C14 | N2 | C13 | 125.0° | 120.0° |
| C14 | N2 | H12 | 117.5° | 120.0° |
| N2 | C14 | H13 | 108.8° | 109.4° |
| N2 | C14 | H14 | 108.8° | 109.5° |
| C39 | C40 | C41 | 120.5° | 117.0° |
| C40 | C39 | C37 | 129.4° | 123.4° |
| C40 | C41 | C42 | 119.6° | 120.1° |
| C40 | C41 | C46 | 121.8° | 120.1° |
| C39 | C37 | C35 | 112.1° | 113.9° |
| C39 | C37 | C38 | 124.4° | 123.1° |
| C37 | C35 | C36 | 130.6° | 124.6° |
| C35 | C37 | C38 | 123.5° | 123.0° |
| C35 | C36 | H48 | 109.5° | 109.5° |
| C35 | C36 | H49 | 109.5° | 109.5° |
| C35 | C36 | H50 | 109.4° | 109.5° |
| N2 | C13 | O1 | 121.5° | 120.1° |
| N2 | C13 | C12 | 116.8° | 120.0° |
| C13 | N2 | H12 | 117.5° | 120.0° |
| C37 | C38 | H51 | 109.5° | 109.5° |
| C37 | C38 | H52 | 109.5° | 109.5° |
| C37 | C38 | H53 | 109.4° | 109.5° |
| C42 | C41 | C46 | 118.6° | 119.8° |
| C41 | C42 | C43 | 121.0° | 119.9° |
| C41 | C42 | H55 | 119.5° | 120.0° |
| C41 | C46 | C45 | 120.7° | 119.8° |
| C41 | C46 | H58 | 119.6° | 120.1° |
| C42 | C43 | C44 | 119.2° | 120.1° |
| C43 | C42 | H55 | 119.5° | 120.1° |
| C42 | C43 | H56 | 120.4° | 120.0° |
| O1 | C13 | C12 | 121.7° | 119.9° |
| C13 | C12 | C11 | 114.5° | 109.5° |
| C13 | C12 | H10 | 108.2° | 109.5° |
| C13 | C12 | H11 | 108.2° | 109.5° |
| C46 | C45 | C44 | 119.4° | 120.1° |
| C46 | C45 | H57 | 120.3° | 119.9° |
| C45 | C46 | H58 | 119.6° | 120.1° |
| C43 | C44 | C45 | 121.2° | 120.2° |
| C43 | C44 | CL1 | 119.2° | 119.9° |
| C44 | C43 | H56 | 120.4° | 119.9° |
| C1 | C2 | N1 | 118.5° | 123.0° |
| C1 | C2 | C4 | 126.8° | 122.9° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C12 | C11 | C10 | 110.2° | 109.5° |
| C12 | C11 | N3 | 110.7° | 109.5° |
| C12 | C11 | H9 | 106.4° | 109.5° |
| C11 | C12 | H10 | 108.2° | 109.5° |
| C11 | C12 | H11 | 108.2° | 109.5° |
| C2 | N1 | C3 | 110.5° | 117.3° |
| N1 | C2 | C4 | 114.7° | 114.2° |
| N1 | C3 | S1 | 115.9° | 110.4° |
| N1 | C3 | H4 | 122.1° | 124.8° |
| C2 | C4 | C5 | 128.5° | 126.1° |
| C2 | C4 | S1 | 109.7° | 107.8° |
| C7 | C6 | C5 | 120.8° | 119.9° |
| C6 | C7 | C10 | 120.8° | 120.1° |
| C7 | C6 | H5 | 119.6° | 120.1° |
| C6 | C7 | H6 | 119.6° | 119.9° |
| C6 | C5 | C4 | 121.8° | 120.1° |
| C6 | C5 | C8 | 118.1° | 119.7° |
| C5 | C6 | H5 | 119.6° | 120.0° |
| C45 | C44 | CL1 | 119.6° | 119.9° |
| C44 | C45 | H57 | 120.3° | 119.9° |
| C7 | C10 | C11 | 122.0° | 119.8° |
| C7 | C10 | C9 | 118.4° | 120.3° |
| C10 | C7 | H6 | 119.6° | 120.0° |
| C3 | S1 | C4 | 88.7° | 90.3° |
| S1 | C3 | H4 | 122.0° | 124.8° |
| C5 | C4 | S1 | 121.8° | 126.1° |
| C4 | C5 | C8 | 120.1° | 120.2° |
| C5 | C8 | C9 | 120.8° | 119.8° |
| C5 | C8 | H7 | 119.6° | 120.1° |
| C11 | C10 | C9 | 119.4° | 119.9° |
| C10 | C11 | N3 | 115.2° | 109.5° |
| C10 | C11 | H9 | 106.6° | 109.4° |
| C10 | C9 | C8 | 121.1° | 120.2° |
| C10 | C9 | H8 | 119.5° | 119.9° |
| C11 | N3 | C17 | 119.7° | 120.0° |
| N3 | C11 | H9 | 107.2° | 109.5° |
| C11 | N3 | H19 | 120.1° | 120.0° |
| C9 | C8 | H7 | 119.6° | 120.1° |
| C8 | C9 | H8 | 119.4° | 119.9° |
| C26 | C24 | C25 | 109.7° | 109.5° |
| C26 | C24 | C23 | 113.4° | 109.5° |
| C26 | C24 | H28 | 108.2° | 109.5° |
| C24 | C26 | H32 | 109.5° | 109.5° |
| C24 | C26 | H33 | 109.5° | 109.4° |
| C24 | C26 | H34 | 109.4° | 109.5° |
| C25 | C24 | C23 | 109.3° | 109.5° |
| C25 | C24 | H28 | 108.2° | 109.4° |
| C24 | C25 | H29 | 109.5° | 109.5° |
| C24 | C25 | H30 | 109.5° | 109.5° |
| C24 | C25 | H31 | 109.5° | 109.5° |
| C24 | C23 | C22 | 112.4° | 109.5° |
| C24 | C23 | C50 | 113.3° | 109.5° |
| C24 | C23 | H27 | 107.3° | 109.4° |
| C23 | C24 | H28 | 108.0° | 109.5° |
| O4 | C22 | C23 | 121.5° | 120.0° |
| O4 | C22 | N4 | 120.9° | 120.0° |
| N3 | C17 | O2 | 121.7° | 120.0° |
| N3 | C17 | C18 | 117.3° | 120.0° |
| C17 | N3 | H19 | 120.2° | 120.0° |
| C47 | C49 | C50 | 105.4° | 104.0° |
| C49 | C47 | C48 | 128.0° | 126.8° |
| C49 | C47 | N10 | 111.3° | 106.4° |
| C47 | C49 | H62 | 127.3° | 128.0° |
| C49 | C50 | C23 | 133.6° | 126.8° |
| C49 | C50 | O6 | 109.2° | 106.4° |
| C50 | C49 | H62 | 127.3° | 128.0° |
| C48 | C47 | N10 | 120.7° | 126.8° |
| C47 | C48 | H59 | 109.5° | 109.5° |
| C47 | C48 | H60 | 109.5° | 109.4° |
| C47 | C48 | H61 | 109.5° | 109.5° |
| O2 | C17 | C18 | 121.0° | 119.9° |
| C47 | N10 | O6 | 105.7° | 111.6° |
| C17 | C18 | N4 | 112.6° | 109.9° |
| C17 | C18 | C19 | 112.4° | 109.9° |
| C17 | C18 | H20 | 109.5° | 109.8° |
| C23 | C22 | N4 | 117.7° | 120.0° |
| C22 | C23 | C50 | 108.3° | 109.5° |
| C22 | C23 | H27 | 107.5° | 109.5° |
| C22 | N4 | C18 | 120.3° | 125.7° |
| C22 | N4 | C21 | 126.7° | 125.6° |
| C23 | C50 | O6 | 117.1° | 126.8° |
| C50 | C23 | H27 | 107.8° | 109.5° |
| C50 | O6 | N10 | 108.4° | 111.6° |
| N4 | C18 | C19 | 102.3° | 107.3° |
| C18 | N4 | C21 | 113.0° | 108.7° |
| N4 | C18 | H20 | 110.4° | 109.9° |
| C18 | C19 | C20 | 105.4° | 102.9° |
| C19 | C18 | H20 | 109.4° | 110.0° |
| C18 | C19 | H21 | 110.5° | 110.8° |
| C18 | C19 | H22 | 110.5° | 110.8° |
| N4 | C21 | C20 | 102.3° | 104.8° |
| N4 | C21 | H25 | 111.2° | 110.3° |
| N4 | C21 | H26 | 111.2° | 110.4° |
| C21 | C20 | C19 | 102.9° | 101.6° |
| C21 | C20 | O3 | 108.7° | 111.0° |
| C21 | C20 | H23 | 110.7° | 111.0° |
| C20 | C21 | H25 | 111.3° | 110.4° |
| C20 | C21 | H26 | 111.2° | 110.4° |
| C19 | C20 | O3 | 111.3° | 111.0° |
| C20 | C19 | H21 | 110.5° | 110.7° |
| C20 | C19 | H22 | 110.5° | 110.7° |
| C19 | C20 | H23 | 110.6° | 111.0° |
| O3 | C20 | H23 | 112.2° | 110.9° |
| C20 | O3 | H24 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.4° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.4° | 109.5° |
| H21 | C19 | H22 | 109.5° | 110.8° |
| H25 | C21 | H26 | 109.5° | 110.3° |
| H29 | C25 | H30 | 109.5° | 109.4° |
| H29 | C25 | H31 | 109.5° | 109.5° |
| H30 | C25 | H31 | 109.4° | 109.5° |
| H32 | C26 | H33 | 109.5° | 109.5° |
| H32 | C26 | H34 | 109.5° | 109.5° |
| H33 | C26 | H34 | 109.5° | 109.5° |
| H35 | C27 | H36 | 109.5° | 109.5° |
| H38 | C29 | H39 | 109.4° | 109.5° |
| H43 | C33 | H44 | 109.5° | 109.5° |
| H43 | C33 | H45 | 109.5° | 109.5° |
| H44 | C33 | H45 | 109.5° | 109.4° |
| H48 | C36 | H49 | 109.5° | 109.5° |
| H48 | C36 | H50 | 109.5° | 109.4° |
| H49 | C36 | H50 | 109.4° | 109.5° |
| H51 | C38 | H52 | 109.5° | 109.5° |
| H51 | C38 | H53 | 109.4° | 109.5° |
| H52 | C38 | H53 | 109.5° | 109.4° |
| H59 | C48 | H60 | 109.4° | 109.5° |
| H59 | C48 | H61 | 109.5° | 109.5° |
| H60 | C48 | H61 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | N8 | C32 | C33 | 179.4° | 179.8° |
| N7 | N8 | C32 | N9 | 0.2° | 0.3° |
| N8 | N7 | C31 | C30 | 179.5° | 179.3° |
| N8 | N7 | C31 | N9 | 0.0° | 0.5° |
| C32 | N8 | N7 | C31 | 0.1° | 0.1° |
| N8 | C32 | C33 | N9 | 179.5° | 179.9° |
| N8 | C32 | N9 | C31 | 0.2° | 0.7° |
| N8 | C32 | N9 | C34 | 179.1° | 178.8° |
| N8 | C32 | C33 | H43 | 0.0° | 89.9° |
| N8 | C32 | C33 | H44 | 120.0° | 150.0° |
| N8 | C32 | C33 | H45 | 120.0° | 30.1° |
| N7 | C31 | C30 | C29 | 0.7° | 119.7° |
| N7 | C31 | N9 | C32 | 0.2° | 0.7° |
| N7 | C31 | C30 | N9 | 179.4° | 179.9° |
| N7 | C31 | C30 | N6 | 121.4° | 120.4° |
| N7 | C31 | N9 | C34 | 179.2° | 178.8° |
| N7 | C31 | C30 | H40 | 119.0° | 0.5° |
| C27 | N5 | C28 | H37 | 180.0° | 179.9° |
| C27 | N5 | C28 | C29 | 126.1° | 180.0° |
| N5 | C27 | C16 | H35 | 120.3° | 120.0° |
| N5 | C27 | C16 | H36 | 120.3° | 120.0° |
| N5 | C27 | C16 | C15 | 138.8° | 180.0° |
| C27 | N5 | C28 | O5 | 49.8° | 0.0° |
| N5 | C27 | C16 | H17 | 18.2° | 60.0° |
| N5 | C27 | C16 | H18 | 100.6° | 60.0° |
| N5 | C27 | H35 | H36 | 119.2° | 120.0° |
| N5 | C28 | C29 | O5 | 175.9° | 180.0° |
| N5 | C28 | C29 | C30 | 176.2° | 180.0° |
| C28 | N5 | C27 | C16 | 96.9° | 180.0° |
| C28 | N5 | C27 | H35 | 142.9° | 60.0° |
| C28 | N5 | C27 | H36 | 23.4° | 60.0° |
| N5 | C28 | C29 | H38 | 63.2° | 60.0° |
| N5 | C28 | C29 | H39 | 55.5° | 60.1° |
| C28 | C29 | C30 | H38 | 120.7° | 120.0° |
| C28 | C29 | C30 | H39 | 120.7° | 120.0° |
| C28 | C29 | C30 | C31 | 174.0° | 175.3° |
| C28 | C29 | C30 | N6 | 62.4° | 65.0° |
| C29 | C28 | N5 | H37 | 53.9° | 0.0° |
| C28 | C29 | H38 | H39 | 118.0° | 120.0° |
| C28 | C29 | C30 | H40 | 54.0° | 55.1° |
| C30 | C29 | C28 | O5 | 0.3° | 0.0° |
| C29 | C30 | C31 | N6 | 120.7° | 119.9° |
| C29 | C30 | C31 | H40 | 119.7° | 120.2° |
| C29 | C30 | C31 | N9 | 179.9° | 60.4° |
| C29 | C30 | N6 | H40 | 116.0° | 120.1° |
| C29 | C30 | N6 | C40 | 173.7° | 57.4° |
| C30 | C29 | H38 | H39 | 118.0° | 119.9° |
| C27 | C16 | C15 | H17 | 120.6° | 120.0° |
| C27 | C16 | C15 | H18 | 120.6° | 120.0° |
| C27 | C16 | C15 | C14 | 90.6° | NaN° |
| C27 | C16 | C15 | H15 | 148.8° | 60.0° |
| C27 | C16 | C15 | H16 | 30.0° | 60.0° |
| C27 | C16 | H17 | H18 | 118.2° | 120.0° |
| C16 | C27 | H35 | H36 | 119.2° | 120.0° |
| C16 | C27 | N5 | H37 | 83.1° | 0.0° |
| C33 | C32 | N9 | C31 | 179.4° | 179.4° |
| C33 | C32 | N9 | C34 | 1.3° | 1.1° |
| C32 | C33 | H43 | H44 | 120.0° | 120.1° |
| C32 | C33 | H43 | H45 | 120.0° | 120.0° |
| C32 | C33 | H44 | H45 | 120.0° | 120.0° |
| C32 | N9 | C31 | C30 | 179.6° | 179.1° |
| C32 | N9 | C31 | C34 | 179.4° | 179.5° |
| C32 | N9 | C34 | S2 | 46.4° | 33.0° |
| C32 | N9 | C34 | C39 | 140.5° | 147.0° |
| N9 | C32 | C33 | H43 | 179.5° | 90.0° |
| N9 | C32 | C33 | H44 | 59.5° | 30.1° |
| N9 | C32 | C33 | H45 | 60.5° | 150.0° |
| C16 | C15 | C14 | H15 | 120.6° | 120.0° |
| C16 | C15 | C14 | H16 | 120.6° | 120.0° |
| C16 | C15 | C14 | N2 | 126.3° | 179.9° |
| C16 | C15 | C14 | H13 | 6.0° | 60.0° |
| C16 | C15 | C14 | H14 | 113.3° | 60.0° |
| C16 | C15 | H15 | H16 | 118.1° | 120.0° |
| C15 | C16 | H17 | H18 | 118.2° | 119.9° |
| C15 | C16 | C27 | H35 | 101.0° | 60.0° |
| C15 | C16 | C27 | H36 | 18.5° | 60.0° |
| O5 | C28 | N5 | H37 | 130.2° | 180.0° |
| O5 | C28 | C29 | H38 | 121.0° | 120.0° |
| O5 | C28 | C29 | H39 | 120.3° | 120.0° |
| C31 | C30 | N6 | H40 | 119.3° | 120.0° |
| C30 | C31 | N9 | C34 | 0.2° | 1.4° |
| C31 | C30 | N6 | C40 | 49.0° | 62.5° |
| C31 | C30 | C29 | H38 | 53.3° | 55.3° |
| C31 | C30 | C29 | H39 | 65.4° | 64.7° |
| N9 | C31 | C30 | N6 | 59.2° | 59.4° |
| C31 | N9 | C34 | S2 | 132.8° | 146.4° |
| C31 | N9 | C34 | C39 | 40.3° | 33.6° |
| N9 | C31 | C30 | H40 | 60.3° | 179.4° |
| C30 | N6 | C40 | C39 | 19.8° | 4.8° |
| C30 | N6 | C40 | C41 | 159.7° | 175.2° |
| N6 | C30 | C29 | H38 | 176.9° | 175.0° |
| N6 | C30 | C29 | H39 | 58.2° | 55.0° |
| N9 | C34 | S2 | C39 | 174.0° | 180.0° |
| N9 | C34 | S2 | C35 | 176.2° | 178.0° |
| N9 | C34 | C39 | C40 | 0.7° | 4.1° |
| N9 | C34 | C39 | C37 | 176.7° | 177.5° |
| C15 | C14 | N2 | H13 | 120.4° | 120.0° |
| C15 | C14 | N2 | H14 | 120.4° | 120.1° |
| C15 | C14 | N2 | C13 | 94.4° | 180.0° |
| C15 | C14 | N2 | H12 | 85.6° | 0.0° |
| C15 | C14 | H13 | H14 | 118.9° | 120.1° |
| C14 | C15 | H15 | H16 | 118.1° | 120.0° |
| C14 | C15 | C16 | H17 | 30.0° | 60.0° |
| C14 | C15 | C16 | H18 | 148.8° | 60.0° |
| S2 | C34 | C39 | C40 | 172.9° | 175.9° |
| S2 | C34 | C39 | C37 | 3.1° | 2.5° |
| C34 | S2 | C35 | C37 | 14.5° | 1.0° |
| C34 | S2 | C35 | C36 | 165.6° | 179.0° |
| C34 | C39 | C40 | N6 | 50.7° | 37.8° |
| C39 | C34 | S2 | C35 | 9.8° | 2.0° |
| C34 | C39 | C40 | C37 | 175.1° | 178.2° |
| C34 | C39 | C40 | C41 | 128.8° | 142.1° |
| C34 | C39 | C37 | C35 | 7.8° | 1.9° |
| C34 | C39 | C37 | C38 | 173.0° | 178.2° |
| N6 | C40 | C39 | C41 | 179.4° | 179.9° |
| N6 | C40 | C39 | C37 | 124.5° | 144.0° |
| N6 | C40 | C41 | C42 | 11.8° | 38.3° |
| N6 | C40 | C41 | C46 | 167.2° | 141.4° |
| C40 | N6 | C30 | H40 | 70.3° | 177.5° |
| S2 | C35 | C37 | C39 | 15.4° | 0.3° |
| S2 | C35 | C37 | C36 | 179.8° | 179.9° |
| S2 | C35 | C37 | C38 | 165.4° | 179.7° |
| S2 | C35 | C36 | H48 | 0.0° | 0.0° |
| S2 | C35 | C36 | H49 | 120.0° | 119.9° |
| S2 | C35 | C36 | H50 | 120.0° | 120.0° |
| C14 | N2 | C13 | H12 | 180.0° | 179.9° |
| C14 | N2 | C13 | O1 | 15.5° | 0.1° |
| C14 | N2 | C13 | C12 | 165.4° | 180.0° |
| N2 | C14 | H13 | H14 | 118.8° | 120.0° |
| N2 | C14 | C15 | H15 | 113.0° | 60.0° |
| N2 | C14 | C15 | H16 | 5.7° | 60.0° |
| C40 | C39 | C37 | C35 | 176.7° | 176.5° |
| C40 | C39 | C37 | C38 | 2.5° | 3.4° |
| C39 | C40 | C41 | C42 | 168.7° | 141.7° |
| C39 | C40 | C41 | C46 | 12.2° | 38.5° |
| C41 | C40 | C39 | C37 | 56.1° | 36.1° |
| C40 | C41 | C42 | C46 | 179.1° | 179.8° |
| C40 | C41 | C42 | C43 | 179.8° | 180.0° |
| C40 | C41 | C46 | C45 | 179.8° | 179.7° |
| C40 | C41 | C42 | H55 | 0.2° | 0.0° |
| C40 | C41 | C46 | H58 | 0.2° | 0.0° |
| C39 | C37 | C35 | C38 | 179.2° | 180.0° |
| C39 | C37 | C35 | C36 | 164.8° | 179.7° |
| C39 | C37 | C38 | H51 | 90.5° | 87.4° |
| C39 | C37 | C38 | H52 | 149.5° | 32.6° |
| C39 | C37 | C38 | H53 | 29.5° | 152.5° |
| C37 | C35 | C36 | H48 | 179.8° | 180.0° |
| C37 | C35 | C36 | H49 | 60.2° | 60.0° |
| C37 | C35 | C36 | H50 | 59.8° | 60.1° |
| C35 | C37 | C38 | H51 | 90.5° | 92.6° |
| C35 | C37 | C38 | H52 | 29.6° | 147.3° |
| C35 | C37 | C38 | H53 | 149.6° | 27.4° |
| C36 | C35 | C37 | C38 | 14.4° | 0.2° |
| C35 | C36 | H48 | H49 | 120.0° | 120.0° |
| C35 | C36 | H48 | H50 | 120.0° | 120.0° |
| C35 | C36 | H49 | H50 | 119.9° | 120.0° |
| N2 | C13 | O1 | C12 | 179.1° | 180.0° |
| N2 | C13 | C12 | C11 | 159.5° | 180.0° |
| N2 | C13 | C12 | H10 | 79.8° | 60.0° |
| N2 | C13 | C12 | H11 | 38.7° | 59.9° |
| C13 | N2 | C14 | H13 | 145.3° | 60.1° |
| C13 | N2 | C14 | H14 | 26.0° | 59.9° |
| C37 | C38 | H51 | H52 | 120.0° | 120.0° |
| C37 | C38 | H51 | H53 | 120.0° | 120.1° |
| C37 | C38 | H52 | H53 | 120.0° | 120.0° |
| C41 | C42 | C43 | H55 | 180.0° | 180.0° |
| C42 | C41 | C46 | C45 | 0.7° | 0.5° |
| C41 | C42 | C43 | C44 | 0.2° | 0.0° |
| C41 | C42 | C43 | H56 | 179.8° | 180.0° |
| C42 | C41 | C46 | H58 | 179.3° | 179.8° |
| C46 | C41 | C42 | C43 | 0.7° | 0.2° |
| C41 | C46 | C45 | H58 | 180.0° | 179.7° |
| C41 | C46 | C45 | C44 | 0.2° | 0.5° |
| C46 | C41 | C42 | H55 | 179.3° | 179.8° |
| C41 | C46 | C45 | H57 | 179.8° | 179.7° |
| C42 | C43 | C44 | H56 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.4° | 0.0° |
| C42 | C43 | C44 | CL1 | 179.8° | 180.0° |
| O1 | C13 | C12 | C11 | 19.7° | 0.0° |
| O1 | C13 | C12 | H10 | 101.1° | 120.0° |
| O1 | C13 | C12 | H11 | 140.4° | 120.0° |
| O1 | C13 | N2 | H12 | 164.5° | 180.0° |
| C13 | C12 | C11 | H10 | 120.7° | 120.0° |
| C13 | C12 | C11 | H11 | 120.7° | 120.0° |
| C13 | C12 | C11 | C10 | 62.7° | 175.0° |
| C13 | C12 | C11 | N3 | 168.7° | 65.0° |
| C13 | C12 | C11 | H9 | 52.6° | 55.1° |
| C13 | C12 | H10 | H11 | 117.7° | 120.0° |
| C12 | C13 | N2 | H12 | 14.6° | 0.0° |
| C46 | C45 | C44 | C43 | 0.4° | 0.2° |
| C46 | C45 | C44 | H57 | 180.0° | 179.8° |
| C46 | C45 | C44 | CL1 | 179.8° | 179.8° |
| C43 | C44 | C45 | CL1 | 179.8° | 180.0° |
| C44 | C43 | C42 | H55 | 179.8° | 180.0° |
| C43 | C44 | C45 | H57 | 179.6° | 180.0° |
| C1 | C2 | N1 | C4 | 179.9° | 179.7° |
| C1 | C2 | N1 | C3 | 174.9° | 180.0° |
| C1 | C2 | C4 | C5 | 1.0° | 0.0° |
| C1 | C2 | C4 | S1 | 179.4° | 179.9° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C12 | C11 | C10 | C7 | 46.1° | 100.0° |
| C12 | C11 | C10 | N3 | 126.1° | 120.0° |
| C12 | C11 | C10 | H9 | 115.1° | 120.0° |
| C12 | C11 | C10 | C9 | 129.1° | 80.3° |
| C12 | C11 | N3 | H9 | 115.7° | 120.0° |
| C12 | C11 | N3 | C17 | 82.9° | 155.0° |
| C11 | C12 | H10 | H11 | 117.7° | 120.0° |
| C12 | C11 | N3 | H19 | 97.1° | 25.0° |
| C2 | N1 | C3 | S1 | 7.7° | 0.0° |
| N1 | C2 | C4 | C5 | 178.9° | 179.7° |
| N1 | C2 | C4 | S1 | 0.7° | 0.4° |
| N1 | C2 | C1 | H1 | 0.0° | 95.0° |
| N1 | C2 | C1 | H2 | 120.0° | 25.0° |
| N1 | C2 | C1 | H3 | 120.0° | 145.0° |
| C2 | N1 | C3 | H4 | 172.3° | 179.9° |
| C3 | N1 | C2 | C4 | 5.2° | 0.3° |
| N1 | C3 | S1 | H4 | 180.0° | 180.0° |
| N1 | C3 | S1 | C4 | 6.3° | 0.2° |
| C2 | C4 | C5 | C6 | 133.4° | 132.1° |
| C2 | C4 | S1 | C3 | 2.9° | 0.3° |
| C2 | C4 | C5 | S1 | 179.6° | 179.9° |
| C2 | C4 | C5 | C8 | 45.8° | 48.1° |
| C4 | C2 | C1 | H1 | 179.9° | 84.7° |
| C4 | C2 | C1 | H2 | 59.9° | 155.3° |
| C4 | C2 | C1 | H3 | 60.1° | 35.3° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | C7 | C10 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 179.5° | 180.0° |
| C7 | C6 | C5 | C8 | 0.4° | 0.2° |
| C6 | C7 | C10 | C11 | 177.5° | 180.0° |
| C6 | C7 | C10 | C9 | 2.2° | 0.3° |
| C5 | C6 | C7 | C10 | 1.0° | 0.0° |
| C6 | C5 | C4 | C8 | 179.1° | 179.7° |
| C6 | C5 | C4 | S1 | 47.1° | 47.8° |
| C6 | C5 | C8 | C9 | 0.6° | 0.2° |
| C5 | C6 | C7 | H6 | 178.9° | 179.9° |
| C6 | C5 | C8 | H7 | 179.4° | 179.8° |
| C45 | C44 | C43 | H56 | 179.6° | 180.0° |
| C44 | C45 | C46 | H58 | 179.8° | 179.8° |
| CL1 | C44 | C43 | H56 | 0.2° | 0.0° |
| CL1 | C44 | C45 | H57 | 0.2° | 0.0° |
| C7 | C10 | C11 | C9 | 175.2° | 179.7° |
| C7 | C10 | C11 | N3 | 80.0° | 140.0° |
| C7 | C10 | C9 | C8 | 2.0° | 0.3° |
| C10 | C7 | C6 | H5 | 179.0° | 180.0° |
| C7 | C10 | C9 | H8 | 178.0° | 179.7° |
| C7 | C10 | C11 | H9 | 161.3° | 19.9° |
| C3 | S1 | C4 | C5 | 177.5° | 179.7° |
| C4 | C5 | C8 | C9 | 179.8° | 180.0° |
| C4 | C5 | C6 | H5 | 0.5° | 0.0° |
| C4 | C5 | C8 | H7 | 0.2° | 0.0° |
| S1 | C4 | C5 | C8 | 133.8° | 131.9° |
| C4 | S1 | C3 | H4 | 173.7° | 179.9° |
| C5 | C8 | C9 | C10 | 0.6° | 0.0° |
| C5 | C8 | C9 | H7 | 180.0° | 180.0° |
| C8 | C5 | C6 | H5 | 179.6° | 179.8° |
| C5 | C8 | C9 | H8 | 179.4° | 180.0° |
| C10 | C11 | N3 | H9 | 118.4° | 120.0° |
| C11 | C10 | C9 | C8 | 177.4° | 180.0° |
| C10 | C11 | N3 | C17 | 151.2° | 85.0° |
| C11 | C10 | C7 | H6 | 2.5° | 0.1° |
| C11 | C10 | C9 | H8 | 2.6° | 0.0° |
| C10 | C11 | C12 | H10 | 58.0° | 65.0° |
| C10 | C11 | C12 | H11 | 176.6° | 55.0° |
| C10 | C11 | N3 | H19 | 28.8° | 95.0° |
| C9 | C10 | C11 | N3 | 104.8° | 39.8° |
| C10 | C9 | C8 | H8 | 180.0° | 180.0° |
| C9 | C10 | C7 | H6 | 177.7° | 179.8° |
| C10 | C9 | C8 | H7 | 179.4° | 180.0° |
| C9 | C10 | C11 | H9 | 14.0° | 159.8° |
| C11 | N3 | C17 | H19 | 180.0° | 179.9° |
| C11 | N3 | C17 | O2 | 10.8° | 0.0° |
| C11 | N3 | C17 | C18 | 169.9° | 180.0° |
| N3 | C11 | C12 | H10 | 70.6° | 55.0° |
| N3 | C11 | C12 | H11 | 48.0° | 175.0° |
| C26 | C24 | C25 | C23 | 124.9° | 120.0° |
| C26 | C24 | C25 | H28 | 117.8° | 120.0° |
| C26 | C24 | C23 | H28 | 119.8° | 120.0° |
| C26 | C24 | C23 | C22 | 35.3° | 175.1° |
| C26 | C24 | C23 | C50 | 158.5° | 55.1° |
| C26 | C24 | C23 | H27 | 82.6° | 65.0° |
| C26 | C24 | C25 | H29 | 180.0° | 55.3° |
| C26 | C24 | C25 | H30 | 60.0° | 64.6° |
| C26 | C24 | C25 | H31 | 60.0° | 175.4° |
| C24 | C26 | H32 | H33 | 120.0° | 120.0° |
| C24 | C26 | H32 | H34 | 120.0° | 120.0° |
| C24 | C26 | H33 | H34 | 120.0° | 120.0° |
| C25 | C24 | C23 | H28 | 117.4° | 120.0° |
| C25 | C24 | C23 | C22 | 158.0° | 64.9° |
| C25 | C24 | C23 | C50 | 78.7° | 175.1° |
| C25 | C24 | C23 | H27 | 40.1° | 55.1° |
| C24 | C25 | H29 | H30 | 120.0° | 120.0° |
| C24 | C25 | H29 | H31 | 120.0° | 120.1° |
| C24 | C25 | H30 | H31 | 120.0° | 120.1° |
| C25 | C24 | C26 | H32 | 180.0° | 60.0° |
| C25 | C24 | C26 | H33 | 60.0° | 180.0° |
| C25 | C24 | C26 | H34 | 60.0° | 60.0° |
| C24 | C23 | C22 | O4 | 68.7° | 27.4° |
| C24 | C23 | C50 | C49 | 64.2° | 120.0° |
| C24 | C23 | C22 | C50 | 126.0° | 120.0° |
| C24 | C23 | C22 | H27 | 117.9° | 119.9° |
| C24 | C23 | C22 | N4 | 111.5° | 152.6° |
| C24 | C23 | C50 | H27 | 118.6° | 120.0° |
| C24 | C23 | C50 | O6 | 118.3° | 60.0° |
| C23 | C24 | C25 | H29 | 55.1° | 64.7° |
| C23 | C24 | C25 | H30 | 175.1° | 175.4° |
| C23 | C24 | C25 | H31 | 64.9° | 55.3° |
| C23 | C24 | C26 | H32 | 57.5° | 60.0° |
| C23 | C24 | C26 | H33 | 62.5° | 60.0° |
| C23 | C24 | C26 | H34 | 177.5° | 180.0° |
| O4 | C22 | C23 | N4 | 179.9° | 180.0° |
| O4 | C22 | C23 | C50 | 57.3° | 92.6° |
| O4 | C22 | N4 | C18 | 1.6° | 5.0° |
| O4 | C22 | N4 | C21 | 177.6° | 175.1° |
| O4 | C22 | C23 | H27 | 173.5° | 147.3° |
| N3 | C17 | O2 | C18 | 179.3° | 180.0° |
| N3 | C17 | C18 | N4 | 139.3° | 180.0° |
| N3 | C17 | C18 | C19 | 105.8° | 62.2° |
| C17 | N3 | C11 | H9 | 32.8° | 35.0° |
| N3 | C17 | C18 | H20 | 16.1° | 59.0° |
| C47 | C49 | C50 | H62 | 180.0° | 179.9° |
| C49 | C47 | C48 | N10 | 179.8° | 179.5° |
| C47 | C49 | C50 | C23 | 178.2° | 179.9° |
| C47 | C49 | C50 | O6 | 0.5° | 0.0° |
| C49 | C47 | N10 | O6 | 0.6° | 0.1° |
| C49 | C47 | C48 | H59 | 179.8° | 89.6° |
| C49 | C47 | C48 | H60 | 60.2° | 30.4° |
| C49 | C47 | C48 | H61 | 59.8° | 150.3° |
| C50 | C49 | C47 | C48 | 179.1° | 179.7° |
| C50 | C49 | C47 | N10 | 0.7° | 0.1° |
| C49 | C50 | C23 | C22 | 61.3° | 120.0° |
| C49 | C50 | C23 | O6 | 177.5° | 180.0° |
| C49 | C50 | O6 | N10 | 0.1° | 0.0° |
| C49 | C50 | C23 | H27 | 177.2° | 0.0° |
| C48 | C47 | N10 | O6 | 179.3° | 179.7° |
| C47 | C48 | H59 | H60 | 120.0° | 120.0° |
| C47 | C48 | H59 | H61 | 120.0° | 120.0° |
| C47 | C48 | H60 | H61 | 120.0° | 119.9° |
| C48 | C47 | C49 | H62 | 0.9° | 0.4° |
| O2 | C17 | C18 | N4 | 40.1° | 0.0° |
| O2 | C17 | C18 | C19 | 74.9° | 117.8° |
| O2 | C17 | N3 | H19 | 169.2° | 180.0° |
| O2 | C17 | C18 | H20 | 163.3° | 121.0° |
| C47 | N10 | O6 | C50 | 0.3° | 0.0° |
| N10 | C47 | C48 | H59 | 0.0° | 89.9° |
| N10 | C47 | C48 | H60 | 120.0° | 150.0° |
| N10 | C47 | C48 | H61 | 120.0° | 30.2° |
| N10 | C47 | C49 | H62 | 179.3° | 180.0° |
| C17 | C18 | N4 | C22 | 59.1° | 61.7° |
| C17 | C18 | N4 | C19 | 121.0° | 119.4° |
| C17 | C18 | N4 | H20 | 122.7° | 121.0° |
| C17 | C18 | C19 | H20 | 121.9° | 121.0° |
| C17 | C18 | N4 | C21 | 121.6° | 118.3° |
| C17 | C18 | C19 | C20 | 144.2° | 141.6° |
| C18 | C17 | N3 | H19 | 10.1° | 0.0° |
| C17 | C18 | C19 | H21 | 24.8° | 23.3° |
| C17 | C18 | C19 | H22 | 96.4° | 100.0° |
| C22 | C23 | C50 | H27 | 116.0° | 120.0° |
| C22 | C23 | C50 | O6 | 116.3° | 59.9° |
| C23 | C22 | N4 | C18 | 178.5° | 175.0° |
| C23 | C22 | N4 | C21 | 2.3° | 4.9° |
| C22 | C23 | C24 | H28 | 84.5° | 55.0° |
| N4 | C22 | C23 | C50 | 122.6° | 87.4° |
| C22 | N4 | C18 | C21 | 179.3° | 179.9° |
| C22 | N4 | C18 | C19 | 180.0° | 178.9° |
| C22 | N4 | C21 | C20 | 157.4° | 155.8° |
| C22 | N4 | C18 | H20 | 63.6° | 59.2° |
| C22 | N4 | C21 | H25 | 38.5° | 85.3° |
| C22 | N4 | C21 | H26 | 83.8° | 36.9° |
| N4 | C22 | C23 | H27 | 6.4° | 32.6° |
| C23 | C50 | O6 | N10 | 178.3° | 180.0° |
| C50 | C23 | C24 | H28 | 38.7° | 65.0° |
| C23 | C50 | C49 | H62 | 1.8° | 0.0° |
| O6 | C50 | C23 | H27 | 0.3° | 180.0° |
| O6 | C50 | C49 | H62 | 179.5° | 179.9° |
| N4 | C18 | C19 | H20 | 117.1° | 119.5° |
| C18 | N4 | C21 | C20 | 21.9° | 24.2° |
| N4 | C18 | C19 | C20 | 23.1° | 22.2° |
| N4 | C18 | C19 | H21 | 96.3° | 96.1° |
| N4 | C18 | C19 | H22 | 142.5° | 140.6° |
| C18 | N4 | C21 | H25 | 140.7° | 94.7° |
| C18 | N4 | C21 | H26 | 97.0° | 143.0° |
| C19 | C18 | N4 | C21 | 0.7° | 1.1° |
| C18 | C19 | C20 | C21 | 36.7° | 35.5° |
| C18 | C19 | C20 | H21 | 119.4° | 118.4° |
| C18 | C19 | C20 | H22 | 119.3° | 118.4° |
| C18 | C19 | C20 | O3 | 79.6° | 82.6° |
| C18 | C19 | H21 | H22 | 121.9° | 123.3° |
| C18 | C19 | C20 | H23 | 155.0° | 153.6° |
| N4 | C21 | C20 | H25 | 118.8° | 118.8° |
| N4 | C21 | C20 | H26 | 118.9° | 118.9° |
| N4 | C21 | C20 | C19 | 34.9° | 37.0° |
| N4 | C21 | C20 | O3 | 83.2° | 81.0° |
| C21 | N4 | C18 | H20 | 115.7° | 120.7° |
| N4 | C21 | C20 | H23 | 153.1° | 155.1° |
| N4 | C21 | H25 | H26 | 123.3° | 122.3° |
| C21 | C20 | C19 | O3 | 116.3° | 118.1° |
| C21 | C20 | C19 | H23 | 118.3° | 118.1° |
| C21 | C20 | O3 | H23 | 122.8° | 123.9° |
| C21 | C20 | C19 | H21 | 82.7° | 82.9° |
| C21 | C20 | C19 | H22 | 156.0° | 153.9° |
| C21 | C20 | O3 | H24 | 180.0° | 67.9° |
| C20 | C21 | H25 | H26 | 123.3° | 122.3° |
| C19 | C20 | O3 | H23 | 124.5° | 123.9° |
| C20 | C19 | C18 | H20 | 94.0° | 97.3° |
| C20 | C19 | H21 | H22 | 121.9° | 123.2° |
| C19 | C20 | O3 | H24 | 67.4° | 180.0° |
| C19 | C20 | C21 | H25 | 153.8° | 81.8° |
| C19 | C20 | C21 | H26 | 83.9° | 155.9° |
| O3 | C20 | C19 | H21 | 161.1° | 159.0° |
| O3 | C20 | C19 | H22 | 39.8° | 35.8° |
| O3 | C20 | C21 | H25 | 35.7° | 160.1° |
| O3 | C20 | C21 | H26 | 158.0° | 37.9° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H5 | C6 | C7 | H6 | 1.1° | 0.0° |
| H7 | C8 | C9 | H8 | 0.6° | 0.0° |
| H9 | C11 | C12 | H10 | 173.3° | 175.1° |
| H9 | C11 | C12 | H11 | 68.2° | 65.0° |
| H9 | C11 | N3 | H19 | 147.3° | 145.0° |
| H12 | N2 | C14 | H13 | 34.8° | 120.0° |
| H12 | N2 | C14 | H14 | 154.0° | 120.0° |
| H13 | C14 | C15 | H15 | 126.6° | 179.9° |
| H13 | C14 | C15 | H16 | 114.6° | 59.9° |
| H14 | C14 | C15 | H15 | 7.4° | 60.0° |
| H14 | C14 | C15 | H16 | 126.1° | 180.0° |
| H15 | C15 | C16 | H17 | 90.7° | 180.0° |
| H15 | C15 | C16 | H18 | 28.2° | 60.0° |
| H16 | C15 | C16 | H17 | 150.6° | 60.0° |
| H16 | C15 | C16 | H18 | 90.6° | 180.0° |
| H17 | C16 | C27 | H35 | 138.5° | 180.0° |
| H17 | C16 | C27 | H36 | 102.0° | 60.0° |
| H18 | C16 | C27 | H35 | 19.7° | 60.0° |
| H18 | C16 | C27 | H36 | 139.1° | 180.0° |
| H20 | C18 | C19 | H21 | 146.7° | 144.3° |
| H20 | C18 | C19 | H22 | 25.4° | 21.0° |
| H21 | C19 | C20 | H23 | 35.6° | 35.2° |
| H22 | C19 | C20 | H23 | 85.7° | 88.0° |
| H23 | C20 | O3 | H24 | 57.2° | 56.1° |
| H23 | C20 | C21 | H25 | 88.0° | 36.3° |
| H23 | C20 | C21 | H26 | 34.3° | 86.0° |
| H27 | C23 | C24 | H28 | 157.5° | 175.0° |
| H28 | C24 | C25 | H29 | 62.2° | 175.3° |
| H28 | C24 | C25 | H30 | 57.8° | 55.4° |
| H28 | C24 | C25 | H31 | 177.8° | 64.7° |
| H28 | C24 | C26 | H32 | 62.2° | 180.0° |
| H28 | C24 | C26 | H33 | 177.8° | 60.1° |
| H28 | C24 | C26 | H34 | 57.8° | 59.9° |
| H29 | C25 | H30 | H31 | 120.0° | 119.9° |
| H32 | C26 | H33 | H34 | 120.0° | 120.0° |
| H35 | C27 | N5 | H37 | 37.1° | 120.0° |
| H36 | C27 | N5 | H37 | 156.6° | 120.0° |
| H38 | C29 | C30 | H40 | 66.6° | 64.9° |
| H39 | C29 | C30 | H40 | 174.7° | 175.1° |
| H43 | C33 | H44 | H45 | 120.0° | 120.0° |
| H48 | C36 | H49 | H50 | 120.0° | 120.0° |
| H51 | C38 | H52 | H53 | 120.0° | 120.0° |
| H55 | C42 | C43 | H56 | 0.2° | 0.0° |
| H57 | C45 | C46 | H58 | 0.2° | 0.0° |
| H59 | C48 | H60 | H61 | 120.0° | 120.1° |
