A1JAZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C37 | sing | 1.52Å | 1.53Å | |
| C36 | C35 | sing | 1.52Å | 1.51Å | |
| C37 | C38 | sing | 1.52Å | 1.52Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| O6 | S2 | doub | 1.42Å | 1.43Å | |
| O5 | S2 | doub | 1.42Å | 1.44Å | |
| S2 | N6 | sing | 1.66Å | 1.64Å | |
| S2 | C39 | sing | 1.76Å | 1.76Å | |
| C38 | N6 | sing | 1.46Å | 1.49Å | |
| C38 | C25 | sing | 1.52Å | 1.53Å | |
| C34 | N6 | sing | 1.46Å | 1.46Å | |
| C34 | C33 | sing | 1.50Å | 1.53Å | |
| O4 | C33 | doub | 1.22Å | 1.23Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.52Å | 1.52Å | |
| C33 | N4 | sing | 1.34Å | 1.35Å | |
| C39 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.37Å | Aromatic |
| C44 | C43 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | O3 | sing | 1.43Å | 1.44Å | |
| N4 | C26 | sing | 1.46Å | 1.48Å | |
| N4 | C27 | sing | 1.48Å | 1.46Å | |
| C40 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| C43 | CL3 | sing | 1.74Å | 1.74Å | |
| C43 | C42 | doub | 1.38Å | 1.37Å | Aromatic |
| O3 | C23 | sing | 1.43Å | 1.44Å | |
| C23 | C22 | sing | 1.51Å | 1.50Å | |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C41 | C42 | sing | 1.38Å | 1.38Å | Aromatic |
| C41 | CL2 | sing | 1.74Å | 1.75Å | |
| C22 | C21 | doub | 1.35Å | 1.37Å | Aromatic |
| C22 | N7 | sing | 1.34Å | 1.36Å | Aromatic |
| CL1 | C11 | sing | 1.74Å | 1.71Å | |
| C28 | N5 | doub | 1.32Å | 1.31Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| N5 | C32 | sing | 1.32Å | 1.34Å | Aromatic |
| C21 | N3 | sing | 1.35Å | 1.34Å | Aromatic |
| N7 | N8 | doub | 1.29Å | 1.33Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.36Å | Aromatic |
| N3 | N8 | sing | 1.29Å | 1.36Å | Aromatic |
| N3 | C20 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C30 | C31 | sing | 1.39Å | 1.37Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C18 | sing | 1.43Å | 1.42Å | |
| C13 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.48Å | |
| C17 | N2 | sing | 1.46Å | 1.44Å | |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C7 | N1 | doub | 1.29Å | 1.30Å | |
| C7 | C4 | sing | 1.48Å | 1.46Å | |
| N2 | C16 | sing | 1.35Å | 1.34Å | |
| N1 | C14 | sing | 1.46Å | 1.45Å | |
| O1 | C16 | doub | 1.21Å | 1.21Å | |
| C5 | C4 | sing | 1.45Å | 1.49Å | Aromatic |
| C5 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | S1 | sing | 1.75Å | 1.71Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C45 | sing | 1.51Å | 1.49Å | |
| C3 | N11 | sing | 1.40Å | 1.39Å | |
| C3 | S1 | sing | 1.71Å | 1.73Å | Aromatic |
| C45 | N11 | sing | 1.36Å | 1.38Å | Aromatic |
| C45 | N9 | doub | 1.30Å | 1.33Å | Aromatic |
| N11 | C46 | sing | 1.35Å | 1.37Å | Aromatic |
| N9 | N10 | sing | 1.29Å | 1.41Å | Aromatic |
| C46 | N10 | doub | 1.31Å | 1.33Å | Aromatic |
| C46 | C47 | sing | 1.51Å | 1.49Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.10Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.10Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.08Å | 1.08Å | |
| C30 | H34 | sing | 1.08Å | 1.08Å | |
| C31 | H35 | sing | 1.08Å | 1.08Å | |
| C32 | H36 | sing | 1.08Å | 1.08Å | |
| C34 | H37 | sing | 1.10Å | 1.10Å | |
| C35 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.10Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H44 | sing | 1.09Å | 1.10Å | |
| C40 | H45 | sing | 1.08Å | 1.08Å | |
| C42 | H46 | sing | 1.08Å | 1.08Å | |
| C44 | H47 | sing | 1.08Å | 1.08Å | |
| C47 | H48 | sing | 1.09Å | 1.10Å | |
| C47 | H49 | sing | 1.09Å | 1.10Å | |
| C47 | H50 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C36 | C35 | 111.4° | 111.8° |
| C36 | C37 | C38 | 111.0° | 111.4° |
| C37 | C36 | H41 | 109.0° | 108.9° |
| C37 | C36 | H40 | 109.0° | 109.1° |
| C36 | C37 | H42 | 109.1° | 109.3° |
| C36 | C37 | H43 | 109.1° | 108.9° |
| C36 | C35 | C34 | 112.6° | 110.9° |
| C36 | C35 | H39 | 108.7° | 110.0° |
| C36 | C35 | H38 | 108.7° | 108.6° |
| C35 | C36 | H41 | 109.0° | 109.0° |
| C35 | C36 | H40 | 109.0° | 109.1° |
| C37 | C38 | N6 | 111.1° | 110.8° |
| C37 | C38 | C25 | 114.1° | 111.8° |
| C38 | C37 | H42 | 109.1° | 109.4° |
| C38 | C37 | H43 | 109.1° | 108.9° |
| C37 | C38 | H44 | 106.5° | 107.4° |
| C35 | C34 | N6 | 110.5° | 109.8° |
| C35 | C34 | C33 | 109.5° | 109.6° |
| C35 | C34 | H37 | 107.0° | 109.1° |
| C34 | C35 | H39 | 108.7° | 110.4° |
| C34 | C35 | H38 | 108.7° | 108.8° |
| O6 | S2 | O5 | 120.5° | 123.2° |
| O6 | S2 | N6 | 113.3° | 106.4° |
| O6 | S2 | C39 | 105.2° | 106.4° |
| O5 | S2 | N6 | 106.7° | 106.4° |
| O5 | S2 | C39 | 106.2° | 106.4° |
| N6 | S2 | C39 | 103.4° | 107.2° |
| S2 | N6 | C38 | 118.3° | 120.0° |
| S2 | N6 | C34 | 119.9° | 120.0° |
| S2 | C39 | C44 | 122.0° | 120.0° |
| S2 | C39 | C40 | 117.9° | 120.0° |
| N6 | C38 | C25 | 111.4° | 111.7° |
| C38 | N6 | C34 | 116.9° | 120.0° |
| N6 | C38 | H44 | 106.9° | 107.5° |
| C38 | C25 | C24 | 112.4° | 109.9° |
| C38 | C25 | C26 | 110.7° | 111.1° |
| C38 | C25 | H28 | 107.4° | 108.3° |
| C25 | C38 | H44 | 106.3° | 107.4° |
| N6 | C34 | C33 | 114.6° | 110.1° |
| N6 | C34 | H37 | 107.8° | 108.9° |
| C34 | C33 | O4 | 117.9° | 119.1° |
| C34 | C33 | N4 | 120.8° | 122.5° |
| C33 | C34 | H37 | 107.0° | 109.3° |
| O4 | C33 | N4 | 121.2° | 118.4° |
| C24 | C25 | C26 | 111.1° | 110.7° |
| C25 | C24 | O3 | 110.2° | 109.5° |
| C25 | C24 | H27 | 109.3° | 109.5° |
| C25 | C24 | H26 | 109.3° | 109.4° |
| C24 | C25 | H28 | 107.6° | 108.3° |
| C25 | C26 | N4 | 112.4° | 112.2° |
| C26 | C25 | H28 | 107.5° | 108.5° |
| C25 | C26 | H29 | 108.7° | 110.0° |
| C25 | C26 | H30 | 108.8° | 108.5° |
| C33 | N4 | C26 | 129.0° | 124.2° |
| C33 | N4 | C27 | 120.9° | 117.5° |
| C44 | C39 | C40 | 119.7° | 120.0° |
| C39 | C44 | C43 | 118.9° | 120.0° |
| C39 | C44 | H47 | 120.6° | 120.0° |
| C39 | C40 | C41 | 119.7° | 120.0° |
| C39 | C40 | H45 | 120.2° | 120.0° |
| C44 | C43 | CL3 | 120.6° | 120.0° |
| C44 | C43 | C42 | 122.1° | 120.0° |
| C43 | C44 | H47 | 120.5° | 120.0° |
| C24 | O3 | C23 | 116.5° | 114.0° |
| O3 | C24 | H27 | 109.3° | 109.5° |
| O3 | C24 | H26 | 109.3° | 109.4° |
| C26 | N4 | C27 | 109.9° | 118.3° |
| N4 | C26 | H29 | 108.7° | 110.3° |
| N4 | C26 | H30 | 108.7° | 108.4° |
| N4 | C27 | C28 | 114.5° | 109.5° |
| N4 | C27 | H31 | 108.2° | 109.4° |
| N4 | C27 | H32 | 108.2° | 109.5° |
| C40 | C41 | C42 | 122.1° | 120.0° |
| C40 | C41 | CL2 | 118.7° | 120.1° |
| C41 | C40 | H45 | 120.1° | 120.0° |
| CL3 | C43 | C42 | 117.1° | 120.0° |
| C43 | C42 | C41 | 117.2° | 119.9° |
| C43 | C42 | H46 | 121.4° | 120.0° |
| O3 | C23 | C22 | 110.3° | 109.4° |
| O3 | C23 | H25 | 109.2° | 109.5° |
| O3 | C23 | H24 | 109.2° | 109.5° |
| C23 | C22 | C21 | 130.1° | 126.8° |
| C23 | C22 | N7 | 122.0° | 126.7° |
| C22 | C23 | H25 | 109.3° | 109.4° |
| C22 | C23 | H24 | 109.3° | 109.5° |
| C27 | C28 | N5 | 116.7° | 119.6° |
| C27 | C28 | C29 | 121.0° | 119.6° |
| C28 | C27 | H31 | 108.2° | 109.5° |
| C28 | C27 | H32 | 108.2° | 109.5° |
| C42 | C41 | CL2 | 119.2° | 120.0° |
| C41 | C42 | H46 | 121.4° | 120.0° |
| C21 | C22 | N7 | 107.6° | 106.5° |
| C22 | C21 | N3 | 105.9° | 106.2° |
| C22 | C21 | H23 | 127.1° | 126.9° |
| C22 | N7 | N8 | 109.2° | 108.9° |
| CL1 | C11 | C12 | 119.4° | 119.9° |
| CL1 | C11 | C10 | 117.2° | 119.9° |
| N5 | C28 | C29 | 122.3° | 120.8° |
| C28 | N5 | C32 | 118.1° | 121.7° |
| C28 | C29 | C30 | 118.8° | 119.1° |
| C28 | C29 | H33 | 120.6° | 120.4° |
| N5 | C32 | C31 | 123.8° | 120.7° |
| N5 | C32 | H36 | 118.1° | 119.7° |
| C21 | N3 | N8 | 110.4° | 108.3° |
| C21 | N3 | C20 | 129.1° | 125.8° |
| N3 | C21 | H23 | 127.0° | 126.9° |
| N7 | N8 | N3 | 106.7° | 110.2° |
| C29 | C30 | C31 | 118.5° | 118.4° |
| C30 | C29 | H33 | 120.6° | 120.5° |
| C29 | C30 | H34 | 120.7° | 120.8° |
| C32 | C31 | C30 | 118.1° | 119.2° |
| C32 | C31 | H35 | 120.9° | 120.4° |
| C31 | C32 | H36 | 118.1° | 119.6° |
| N8 | N3 | C20 | 120.4° | 125.9° |
| N3 | C20 | C19 | 113.5° | 109.5° |
| N3 | C20 | H22 | 108.5° | 109.5° |
| N3 | C20 | H21 | 108.5° | 109.4° |
| C12 | C11 | C10 | 123.1° | 120.2° |
| C11 | C12 | C13 | 118.4° | 120.1° |
| C11 | C12 | H9 | 120.8° | 119.9° |
| C11 | C10 | C9 | 117.6° | 120.1° |
| C11 | C10 | H8 | 121.2° | 120.0° |
| C12 | C13 | C8 | 119.8° | 119.9° |
| C13 | C12 | H9 | 120.8° | 120.0° |
| C12 | C13 | H10 | 120.1° | 120.1° |
| C20 | C19 | O2 | 113.8° | 109.5° |
| C20 | C19 | H20 | 108.4° | 109.5° |
| C20 | C19 | H19 | 108.4° | 109.4° |
| C19 | C20 | H22 | 108.5° | 109.5° |
| C19 | C20 | H21 | 108.5° | 109.5° |
| C31 | C30 | H34 | 120.7° | 120.8° |
| C30 | C31 | H35 | 120.9° | 120.4° |
| C10 | C9 | C8 | 121.2° | 119.9° |
| C10 | C9 | H7 | 119.4° | 120.0° |
| C9 | C10 | H8 | 121.2° | 119.9° |
| C19 | O2 | C18 | 106.8° | 114.0° |
| O2 | C19 | H20 | 108.4° | 109.5° |
| O2 | C19 | H19 | 108.4° | 109.5° |
| O2 | C18 | C17 | 114.9° | 109.5° |
| O2 | C18 | H18 | 108.1° | 109.4° |
| O2 | C18 | H17 | 108.1° | 109.5° |
| C13 | C8 | C9 | 119.4° | 119.8° |
| C13 | C8 | C7 | 119.2° | 120.1° |
| C8 | C13 | H10 | 120.1° | 120.0° |
| C18 | C17 | N2 | 115.0° | 109.5° |
| C18 | C17 | H16 | 108.1° | 109.5° |
| C18 | C17 | H15 | 108.1° | 109.4° |
| C17 | C18 | H18 | 108.1° | 109.5° |
| C17 | C18 | H17 | 108.1° | 109.5° |
| C9 | C8 | C7 | 120.8° | 120.1° |
| C8 | C9 | H7 | 119.4° | 120.1° |
| C8 | C7 | N1 | 115.1° | 117.0° |
| C8 | C7 | C4 | 120.6° | 117.0° |
| C17 | N2 | C16 | 121.8° | 120.0° |
| C17 | N2 | H14 | 119.1° | 120.0° |
| N2 | C17 | H16 | 108.1° | 109.5° |
| N2 | C17 | H15 | 108.1° | 109.5° |
| C6 | C5 | C4 | 121.9° | 123.0° |
| C6 | C5 | C2 | 124.8° | 123.0° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | C6 | H4 | 109.5° | 109.4° |
| N1 | C7 | C4 | 124.2° | 125.9° |
| C7 | N1 | C14 | 116.1° | 122.4° |
| C7 | C4 | C5 | 127.1° | 123.5° |
| C7 | C4 | C3 | 125.0° | 124.8° |
| N2 | C16 | O1 | 122.6° | 120.0° |
| N2 | C16 | C15 | 117.9° | 120.0° |
| C16 | N2 | H14 | 119.1° | 120.0° |
| N1 | C14 | C15 | 113.3° | 109.5° |
| N1 | C14 | C45 | 108.1° | 109.1° |
| N1 | C14 | H11 | 108.2° | 109.5° |
| O1 | C16 | C15 | 119.5° | 119.9° |
| C4 | C5 | C2 | 113.2° | 114.0° |
| C5 | C4 | C3 | 107.8° | 111.7° |
| C5 | C2 | C1 | 132.1° | 124.7° |
| C5 | C2 | S1 | 113.5° | 110.7° |
| C16 | C15 | C14 | 111.4° | 109.5° |
| C16 | C15 | H13 | 109.0° | 109.5° |
| C16 | C15 | H12 | 109.0° | 109.5° |
| C4 | C3 | N11 | 123.4° | 124.0° |
| C4 | C3 | S1 | 114.6° | 111.0° |
| C1 | C2 | S1 | 114.5° | 124.6° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C2 | S1 | C3 | 90.8° | 92.6° |
| C15 | C14 | C45 | 112.0° | 109.5° |
| C15 | C14 | H11 | 107.3° | 109.5° |
| C14 | C15 | H13 | 109.0° | 109.5° |
| C14 | C15 | H12 | 109.0° | 109.5° |
| C14 | C45 | N11 | 119.4° | 125.1° |
| C14 | C45 | N9 | 131.0° | 127.8° |
| C45 | C14 | H11 | 107.7° | 109.5° |
| N11 | C3 | S1 | 121.5° | 124.9° |
| C3 | N11 | C45 | 123.1° | 124.5° |
| C3 | N11 | C46 | 130.1° | 129.0° |
| N11 | C45 | N9 | 109.6° | 107.1° |
| C45 | N11 | C46 | 106.7° | 106.5° |
| C45 | N9 | N10 | 106.2° | 109.7° |
| N11 | C46 | N10 | 108.6° | 106.7° |
| N11 | C46 | C47 | 123.7° | 126.6° |
| N9 | N10 | C46 | 108.8° | 110.0° |
| N10 | C46 | C47 | 127.4° | 126.6° |
| C46 | C47 | H48 | 109.5° | 109.4° |
| C46 | C47 | H49 | 109.5° | 109.5° |
| C46 | C47 | H50 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H5 | C6 | H4 | 109.5° | 109.5° |
| H6 | C6 | H4 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H13 | C15 | H12 | 109.5° | 109.5° |
| H16 | C17 | H15 | 109.5° | 109.5° |
| H18 | C18 | H17 | 109.5° | 109.5° |
| H20 | C19 | H19 | 109.5° | 109.5° |
| H22 | C20 | H21 | 109.4° | 109.4° |
| H25 | C23 | H24 | 109.5° | 109.5° |
| H27 | C24 | H26 | 109.5° | 109.5° |
| H29 | C26 | H30 | 109.5° | 107.3° |
| H31 | C27 | H32 | 109.5° | 109.5° |
| H39 | C35 | H38 | 109.5° | 108.1° |
| H41 | C36 | H40 | 109.5° | 108.8° |
| H42 | C37 | H43 | 109.5° | 108.8° |
| H48 | C47 | H49 | 109.5° | 109.5° |
| H48 | C47 | H50 | 109.5° | 109.5° |
| H49 | C47 | H50 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C36 | C35 | H41 | 120.3° | 120.5° |
| C37 | C36 | C35 | H40 | 120.3° | 120.7° |
| C36 | C37 | C38 | H42 | 120.2° | 121.0° |
| C36 | C37 | C38 | H43 | 120.2° | 120.2° |
| C37 | C36 | C35 | C34 | 54.7° | 61.5° |
| C36 | C37 | C38 | N6 | 51.4° | 7.3° |
| C36 | C37 | C38 | C25 | 75.6° | 118.0° |
| C37 | C36 | C35 | H39 | 65.8° | 60.9° |
| C37 | C36 | C35 | H38 | 175.1° | 179.0° |
| C37 | C36 | H41 | H40 | 119.1° | 118.8° |
| C36 | C37 | H42 | H43 | 119.3° | 118.9° |
| C36 | C37 | C38 | H44 | 167.4° | 124.4° |
| C35 | C36 | C37 | C38 | 54.4° | 47.2° |
| C36 | C35 | C34 | H39 | 120.5° | 122.2° |
| C36 | C35 | C34 | H38 | 120.5° | 119.3° |
| C36 | C35 | C34 | N6 | 51.4° | 17.7° |
| C36 | C35 | C34 | C33 | 75.7° | 138.6° |
| C36 | C35 | C34 | H37 | 168.6° | 101.7° |
| C36 | C35 | H39 | H38 | 118.6° | 118.4° |
| C35 | C36 | H41 | H40 | 119.1° | 118.9° |
| C35 | C36 | C37 | H42 | 174.6° | 73.8° |
| C35 | C36 | C37 | H43 | 65.8° | 167.4° |
| C37 | C38 | N6 | S2 | 103.5° | 124.3° |
| C37 | C38 | N6 | C25 | 128.4° | 125.4° |
| C37 | C38 | N6 | H44 | 115.8° | 117.0° |
| C37 | C38 | C25 | H44 | 117.1° | 117.6° |
| C37 | C38 | N6 | C34 | 51.7° | 55.4° |
| C37 | C38 | C25 | C24 | 98.5° | 178.8° |
| C37 | C38 | C25 | C26 | 136.6° | 58.4° |
| C37 | C38 | C25 | H28 | 19.5° | 60.7° |
| C38 | C37 | C36 | H41 | 174.7° | 167.8° |
| C38 | C37 | C36 | H40 | 65.9° | 73.5° |
| C38 | C37 | H42 | H43 | 119.3° | 118.9° |
| C35 | C34 | N6 | S2 | 103.9° | 138.6° |
| C35 | C34 | N6 | C38 | 50.8° | 41.1° |
| C35 | C34 | N6 | C33 | 124.3° | 120.7° |
| C35 | C34 | N6 | H37 | 116.7° | 119.5° |
| C35 | C34 | C33 | H37 | 115.7° | 119.6° |
| C35 | C34 | C33 | O4 | 55.7° | 118.7° |
| C35 | C34 | C33 | N4 | 120.4° | 61.2° |
| C34 | C35 | H39 | H38 | 118.6° | 118.9° |
| C34 | C35 | C36 | H41 | 175.0° | 178.0° |
| C34 | C35 | C36 | H40 | 65.6° | 59.2° |
| O6 | S2 | O5 | N6 | 131.0° | 122.9° |
| O6 | S2 | O5 | C39 | 119.2° | 123.0° |
| O6 | S2 | N6 | C39 | 113.3° | 113.5° |
| O6 | S2 | N6 | C38 | 32.0° | 156.2° |
| O6 | S2 | N6 | C34 | 122.4° | 23.5° |
| O6 | S2 | C39 | C44 | 12.2° | 156.5° |
| O6 | S2 | C39 | C40 | 160.1° | 23.8° |
| O5 | S2 | N6 | C39 | 111.8° | 113.6° |
| O5 | S2 | N6 | C38 | 166.9° | 23.3° |
| O5 | S2 | N6 | C34 | 12.5° | 156.4° |
| O5 | S2 | C39 | C44 | 141.0° | 23.6° |
| O5 | S2 | C39 | C40 | 31.2° | 156.7° |
| S2 | N6 | C38 | C34 | 155.1° | 179.7° |
| S2 | N6 | C38 | C25 | 128.1° | 110.3° |
| S2 | N6 | C34 | C33 | 131.8° | 100.7° |
| N6 | S2 | C39 | C44 | 106.9° | 90.0° |
| N6 | S2 | C39 | C40 | 80.9° | 89.7° |
| S2 | N6 | C34 | H37 | 12.8° | 19.2° |
| S2 | N6 | C38 | H44 | 12.3° | 7.3° |
| C39 | S2 | N6 | C38 | 81.3° | 90.3° |
| C39 | S2 | N6 | C34 | 124.3° | 90.0° |
| S2 | C39 | C44 | C40 | 172.1° | 179.7° |
| S2 | C39 | C44 | C43 | 177.9° | 179.7° |
| S2 | C39 | C40 | C41 | 175.6° | 180.0° |
| S2 | C39 | C40 | H45 | 4.4° | 0.0° |
| S2 | C39 | C44 | H47 | 2.1° | 0.0° |
| N6 | C38 | C25 | H44 | 116.1° | 117.6° |
| C38 | N6 | C34 | C33 | 73.5° | 79.6° |
| N6 | C38 | C25 | C24 | 134.6° | 56.4° |
| N6 | C38 | C25 | C26 | 9.7° | 66.4° |
| N6 | C38 | C25 | H28 | 107.3° | 174.5° |
| C38 | N6 | C34 | H37 | 167.5° | 160.6° |
| N6 | C38 | C37 | H42 | 171.6° | 128.3° |
| N6 | C38 | C37 | H43 | 68.8° | 112.8° |
| C25 | C38 | N6 | C34 | 76.8° | 70.0° |
| C38 | C25 | C24 | C26 | 124.6° | 123.1° |
| C38 | C25 | C24 | H28 | 118.0° | 118.1° |
| C38 | C25 | C26 | H28 | 117.0° | 118.9° |
| C38 | C25 | C24 | O3 | 172.2° | 173.6° |
| C38 | C25 | C26 | N4 | 76.6° | 81.2° |
| C38 | C25 | C24 | H27 | 52.1° | 66.4° |
| C38 | C25 | C24 | H26 | 67.7° | 53.7° |
| C38 | C25 | C26 | H29 | 162.9° | 41.9° |
| C38 | C25 | C26 | H30 | 43.8° | 159.0° |
| C25 | C38 | C37 | H42 | 44.6° | 3.0° |
| C25 | C38 | C37 | H43 | 164.2° | 121.9° |
| N6 | C34 | C33 | H37 | 119.5° | 119.6° |
| N6 | C34 | C33 | O4 | 179.5° | 120.5° |
| N6 | C34 | C33 | N4 | 4.4° | 59.6° |
| N6 | C34 | C35 | H39 | 69.1° | 104.5° |
| N6 | C34 | C35 | H38 | 171.9° | 137.0° |
| C34 | N6 | C38 | H44 | 167.5° | 172.5° |
| C34 | C33 | O4 | N4 | 176.1° | 179.9° |
| C34 | C33 | N4 | C26 | 2.8° | 0.5° |
| C34 | C33 | N4 | C27 | 177.4° | 178.5° |
| C33 | C34 | C35 | H39 | 163.8° | 16.5° |
| C33 | C34 | C35 | H38 | 44.8° | 102.1° |
| O4 | C33 | N4 | C26 | 173.1° | 179.6° |
| O4 | C33 | N4 | C27 | 1.5° | 1.4° |
| O4 | C33 | C34 | H37 | 60.0° | 0.9° |
| C24 | C25 | C26 | H28 | 117.4° | 118.7° |
| C25 | C24 | O3 | H27 | 120.1° | 120.1° |
| C25 | C24 | O3 | H26 | 120.1° | 119.9° |
| C24 | C25 | C26 | N4 | 157.8° | 41.1° |
| C25 | C24 | O3 | C23 | 164.0° | 174.8° |
| C25 | C24 | H27 | H26 | 119.7° | 120.0° |
| C24 | C25 | C26 | H29 | 37.4° | 164.3° |
| C24 | C25 | C26 | H30 | 81.8° | 78.6° |
| C24 | C25 | C38 | H44 | 18.5° | 61.2° |
| C25 | C26 | N4 | C33 | 57.5° | 64.3° |
| C26 | C25 | C24 | O3 | 63.2° | 63.3° |
| C25 | C26 | N4 | H29 | 120.4° | 123.0° |
| C25 | C26 | N4 | H30 | 120.4° | 119.8° |
| C25 | C26 | N4 | C27 | 117.6° | 116.8° |
| C26 | C25 | C24 | H27 | 176.7° | 56.7° |
| C26 | C25 | C24 | H26 | 56.9° | 176.8° |
| C25 | C26 | H29 | H30 | 118.7° | 117.8° |
| C26 | C25 | C38 | H44 | 106.3° | 176.0° |
| C33 | N4 | C26 | C27 | 175.1° | 179.0° |
| C33 | N4 | C27 | C28 | 115.4° | 93.5° |
| C33 | N4 | C26 | H29 | 177.9° | 58.8° |
| C33 | N4 | C26 | H30 | 63.0° | 176.0° |
| C33 | N4 | C27 | H31 | 5.4° | 146.6° |
| C33 | N4 | C27 | H32 | 123.9° | 26.5° |
| N4 | C33 | C34 | H37 | 123.9° | 179.2° |
| C39 | C44 | C43 | H47 | 180.0° | 179.7° |
| C44 | C39 | C40 | C41 | 3.1° | 0.3° |
| C39 | C44 | C43 | CL3 | 178.3° | 179.7° |
| C39 | C44 | C43 | C42 | 4.4° | 0.6° |
| C44 | C39 | C40 | H45 | 176.8° | 179.7° |
| C40 | C39 | C44 | C43 | 5.8° | 0.6° |
| C39 | C40 | C41 | H45 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 1.1° | 0.0° |
| C39 | C40 | C41 | CL2 | 179.6° | 180.0° |
| C40 | C39 | C44 | H47 | 174.2° | 179.7° |
| C44 | C43 | CL3 | C42 | 174.2° | 179.7° |
| C44 | C43 | C42 | C41 | 0.3° | 0.3° |
| C44 | C43 | C42 | H46 | 179.6° | 179.7° |
| C24 | O3 | C23 | C22 | 166.1° | 174.7° |
| C24 | O3 | C23 | H25 | 73.8° | 54.8° |
| C24 | O3 | C23 | H24 | 45.9° | 65.3° |
| O3 | C24 | H27 | H26 | 119.7° | 119.9° |
| O3 | C24 | C25 | H28 | 54.2° | 55.6° |
| C26 | N4 | C27 | C28 | 69.1° | 85.5° |
| N4 | C26 | C25 | H28 | 40.4° | 159.8° |
| N4 | C26 | H29 | H30 | 118.7° | 117.9° |
| C26 | N4 | C27 | H31 | 170.1° | 34.4° |
| C26 | N4 | C27 | H32 | 51.6° | 154.4° |
| N4 | C27 | C28 | H31 | 120.8° | 119.9° |
| N4 | C27 | C28 | H32 | 120.7° | 120.0° |
| N4 | C27 | C28 | N5 | 34.3° | 84.9° |
| N4 | C27 | C28 | C29 | 142.8° | 95.4° |
| C27 | N4 | C26 | H29 | 2.8° | 120.2° |
| C27 | N4 | C26 | H30 | 122.0° | 3.0° |
| N4 | C27 | H31 | H32 | 117.7° | 120.0° |
| C40 | C41 | C42 | C43 | 2.5° | 0.0° |
| C40 | C41 | C42 | CL2 | 178.5° | 180.0° |
| C40 | C41 | C42 | H46 | 177.6° | 180.0° |
| CL3 | C43 | C42 | C41 | 174.4° | 180.0° |
| CL3 | C43 | C42 | H46 | 5.5° | 0.0° |
| CL3 | C43 | C44 | H47 | 1.7° | 0.1° |
| C43 | C42 | C41 | H46 | 180.0° | 180.0° |
| C43 | C42 | C41 | CL2 | 179.0° | 180.0° |
| C42 | C43 | C44 | H47 | 175.6° | 179.8° |
| O3 | C23 | C22 | H25 | 120.1° | 120.0° |
| O3 | C23 | C22 | H24 | 120.1° | 120.0° |
| O3 | C23 | C22 | C21 | 51.4° | 5.1° |
| O3 | C23 | C22 | N7 | 122.2° | 174.9° |
| O3 | C23 | H25 | H24 | 119.6° | 120.1° |
| C23 | O3 | C24 | H27 | 43.9° | 54.7° |
| C23 | O3 | C24 | H26 | 75.9° | 65.3° |
| C23 | C22 | C21 | N7 | 174.3° | 180.0° |
| C23 | C22 | C21 | N3 | 177.4° | 179.9° |
| C23 | C22 | N7 | N8 | 176.0° | 180.0° |
| C23 | C22 | C21 | H23 | 2.5° | 0.0° |
| C22 | C23 | H25 | H24 | 119.6° | 120.0° |
| C27 | C28 | N5 | C29 | 177.0° | 179.7° |
| C27 | C28 | N5 | C32 | 179.0° | 179.8° |
| C27 | C28 | C29 | C30 | 178.6° | 180.0° |
| C28 | C27 | H31 | H32 | 117.7° | 120.1° |
| C27 | C28 | C29 | H33 | 1.3° | 0.1° |
| C42 | C41 | C40 | H45 | 179.0° | 180.0° |
| CL2 | C41 | C40 | H45 | 0.5° | 0.1° |
| CL2 | C41 | C42 | H46 | 0.9° | 0.0° |
| C22 | C21 | N3 | H23 | 180.0° | 179.9° |
| C21 | C22 | N7 | N8 | 1.2° | 0.0° |
| C22 | C21 | N3 | N8 | 4.0° | 0.0° |
| C22 | C21 | N3 | C20 | 179.6° | 179.8° |
| C21 | C22 | C23 | H25 | 68.7° | 125.1° |
| C21 | C22 | C23 | H24 | 171.5° | 114.9° |
| N7 | C22 | C21 | N3 | 3.1° | 0.0° |
| C22 | N7 | N8 | N3 | 1.3° | 0.0° |
| N7 | C22 | C21 | H23 | 176.8° | 179.9° |
| N7 | C22 | C23 | H25 | 117.7° | 54.9° |
| N7 | C22 | C23 | H24 | 2.1° | 65.1° |
| CL1 | C11 | C12 | C10 | 173.9° | 179.7° |
| CL1 | C11 | C12 | C13 | 177.4° | 179.7° |
| CL1 | C11 | C10 | C9 | 178.3° | 179.7° |
| CL1 | C11 | C10 | H8 | 1.7° | 0.4° |
| CL1 | C11 | C12 | H9 | 2.6° | 0.3° |
| N5 | C28 | C29 | C30 | 1.7° | 0.3° |
| C28 | N5 | C32 | C31 | 2.5° | 0.5° |
| N5 | C28 | C27 | H31 | 86.5° | 155.2° |
| N5 | C28 | C27 | H32 | 155.1° | 35.1° |
| N5 | C28 | C29 | H33 | 178.2° | 179.8° |
| C28 | N5 | C32 | H36 | 177.5° | 179.7° |
| C29 | C28 | N5 | C32 | 1.9° | 0.6° |
| C28 | C29 | C30 | H33 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 2.8° | 0.0° |
| C29 | C28 | C27 | H31 | 96.5° | 24.5° |
| C29 | C28 | C27 | H32 | 22.0° | 144.6° |
| C28 | C29 | C30 | H34 | 177.2° | 180.0° |
| N5 | C32 | C31 | H36 | 180.0° | 179.8° |
| N5 | C32 | C31 | C30 | 6.9° | 0.2° |
| N5 | C32 | C31 | H35 | 173.0° | 179.7° |
| C21 | N3 | N8 | N7 | 3.4° | 0.0° |
| C21 | N3 | N8 | C20 | 176.0° | 179.8° |
| C21 | N3 | C20 | C19 | 47.6° | 125.2° |
| C21 | N3 | C20 | H22 | 73.0° | 114.8° |
| C21 | N3 | C20 | H21 | 168.2° | 5.2° |
| N7 | N8 | N3 | C20 | 179.4° | 179.8° |
| C29 | C30 | C31 | C32 | 6.8° | 0.1° |
| C29 | C30 | C31 | H34 | 180.0° | 179.9° |
| C29 | C30 | C31 | H35 | 173.2° | 180.0° |
| C32 | C31 | C30 | H35 | 180.0° | 179.9° |
| C32 | C31 | C30 | H34 | 173.2° | 180.0° |
| N8 | N3 | C20 | C19 | 127.6° | 55.0° |
| N8 | N3 | C20 | H22 | 111.8° | 65.0° |
| N8 | N3 | C20 | H21 | 7.0° | 175.0° |
| N8 | N3 | C21 | H23 | 175.9° | 179.9° |
| N3 | C20 | C19 | H22 | 120.6° | 120.0° |
| N3 | C20 | C19 | H21 | 120.6° | 120.0° |
| N3 | C20 | C19 | O2 | 52.0° | 180.0° |
| N3 | C20 | C19 | H20 | 68.6° | 59.9° |
| N3 | C20 | C19 | H19 | 172.6° | 60.1° |
| N3 | C20 | H22 | H21 | 118.2° | 119.9° |
| C20 | N3 | C21 | H23 | 0.4° | 0.1° |
| C11 | C12 | C13 | H9 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 4.3° | 0.0° |
| C11 | C12 | C13 | C8 | 3.9° | 0.0° |
| C12 | C11 | C10 | H8 | 175.7° | 179.9° |
| C11 | C12 | C13 | H10 | 176.1° | 180.0° |
| C10 | C11 | C12 | C13 | 3.5° | 0.0° |
| C11 | C10 | C9 | H8 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 5.5° | 0.0° |
| C11 | C10 | C9 | H7 | 174.4° | 180.0° |
| C10 | C11 | C12 | H9 | 176.5° | 180.0° |
| C12 | C13 | C8 | H10 | 180.0° | 180.0° |
| C12 | C13 | C8 | C9 | 5.3° | 0.0° |
| C12 | C13 | C8 | C7 | 176.8° | 180.0° |
| C20 | C19 | O2 | H20 | 120.7° | 120.0° |
| C20 | C19 | O2 | H19 | 120.6° | 119.9° |
| C20 | C19 | O2 | C18 | 168.3° | 180.0° |
| C20 | C19 | H20 | H19 | 118.0° | 120.0° |
| C19 | C20 | H22 | H21 | 118.2° | 120.1° |
| C31 | C30 | C29 | H33 | 177.3° | 179.9° |
| C30 | C31 | C32 | H36 | 173.1° | 180.0° |
| C10 | C9 | C8 | C13 | 6.2° | 0.0° |
| C10 | C9 | C8 | H7 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 177.6° | 180.0° |
| C19 | O2 | C18 | C17 | 68.3° | 180.0° |
| C19 | O2 | C18 | H18 | 170.9° | 60.0° |
| C19 | O2 | C18 | H17 | 52.5° | 60.0° |
| O2 | C19 | H20 | H19 | 118.0° | 120.0° |
| O2 | C19 | C20 | H22 | 172.6° | 60.0° |
| O2 | C19 | C20 | H21 | 68.6° | 60.0° |
| O2 | C18 | C17 | H18 | 120.8° | 120.0° |
| O2 | C18 | C17 | H17 | 120.8° | 120.0° |
| O2 | C18 | C17 | N2 | 43.8° | 65.0° |
| O2 | C18 | C17 | H16 | 164.6° | 55.0° |
| O2 | C18 | C17 | H15 | 77.0° | 175.0° |
| O2 | C18 | H18 | H17 | 117.5° | 120.0° |
| C18 | O2 | C19 | H20 | 71.1° | 60.0° |
| C18 | O2 | C19 | H19 | 47.6° | 60.0° |
| C13 | C8 | C9 | C7 | 171.4° | 180.0° |
| C13 | C8 | C7 | N1 | 27.1° | 33.8° |
| C13 | C8 | C7 | C4 | 155.6° | 146.2° |
| C13 | C8 | C9 | H7 | 173.8° | 180.0° |
| C8 | C13 | C12 | H9 | 176.1° | 180.0° |
| C18 | C17 | N2 | H16 | 120.8° | 120.0° |
| C18 | C17 | N2 | H15 | 120.8° | 120.0° |
| C18 | C17 | N2 | C16 | 76.7° | 180.0° |
| C18 | C17 | N2 | H14 | 103.3° | 0.1° |
| C18 | C17 | H16 | H15 | 117.5° | 120.0° |
| C17 | C18 | H18 | H17 | 117.6° | 120.0° |
| C9 | C8 | C7 | N1 | 144.3° | 146.3° |
| C9 | C8 | C7 | C4 | 33.0° | 33.7° |
| C8 | C9 | C10 | H8 | 174.5° | 179.9° |
| C9 | C8 | C13 | H10 | 174.7° | 180.0° |
| C8 | C7 | N1 | C4 | 177.1° | 180.0° |
| C8 | C7 | N1 | C14 | 178.7° | 175.2° |
| C8 | C7 | C4 | C5 | 44.2° | 36.1° |
| C8 | C7 | C4 | C3 | 132.3° | 142.2° |
| C7 | C8 | C9 | H7 | 2.4° | 0.0° |
| C7 | C8 | C13 | H10 | 3.2° | 0.0° |
| C17 | N2 | C16 | H14 | 180.0° | 179.9° |
| C17 | N2 | C16 | O1 | 0.8° | 0.0° |
| C17 | N2 | C16 | C15 | 178.3° | 180.0° |
| N2 | C17 | H16 | H15 | 117.5° | 120.0° |
| N2 | C17 | C18 | H18 | 77.0° | 175.0° |
| N2 | C17 | C18 | H17 | 164.6° | 55.0° |
| C6 | C5 | C4 | C7 | 5.4° | 3.0° |
| C6 | C5 | C4 | C2 | 177.0° | 179.9° |
| C6 | C5 | C4 | C3 | 177.6° | 178.5° |
| C6 | C5 | C2 | C1 | 6.2° | 0.2° |
| C6 | C5 | C2 | S1 | 175.2° | 179.8° |
| C5 | C6 | H5 | H6 | 120.0° | 120.0° |
| C5 | C6 | H5 | H4 | 120.0° | 120.0° |
| C5 | C6 | H6 | H4 | 120.0° | 119.9° |
| N1 | C7 | C4 | C5 | 138.8° | 144.0° |
| N1 | C7 | C4 | C3 | 44.7° | 37.8° |
| C7 | N1 | C14 | C15 | 161.7° | 57.4° |
| C7 | N1 | C14 | C45 | 73.6° | 62.5° |
| C7 | N1 | C14 | H11 | 42.8° | 177.6° |
| C4 | C7 | N1 | C14 | 4.2° | 4.8° |
| C7 | C4 | C5 | C3 | 177.0° | 178.4° |
| C7 | C4 | C5 | C2 | 177.6° | 176.9° |
| C7 | C4 | C3 | N11 | 9.0° | 4.1° |
| C7 | C4 | C3 | S1 | 179.7° | 176.4° |
| N2 | C16 | O1 | C15 | 179.1° | 180.0° |
| N2 | C16 | C15 | C14 | 133.8° | 180.0° |
| N2 | C16 | C15 | H13 | 105.9° | 60.0° |
| N2 | C16 | C15 | H12 | 13.5° | 60.0° |
| C16 | N2 | C17 | H16 | 44.2° | 60.0° |
| C16 | N2 | C17 | H15 | 162.5° | 60.1° |
| N1 | C14 | C15 | C16 | 54.4° | 65.3° |
| N1 | C14 | C15 | C45 | 122.6° | 119.7° |
| N1 | C14 | C15 | H11 | 119.4° | 120.2° |
| N1 | C14 | C45 | H11 | 116.8° | 119.9° |
| N1 | C14 | C45 | N11 | 73.7° | 59.6° |
| N1 | C14 | C45 | N9 | 107.3° | 120.3° |
| N1 | C14 | C15 | H13 | 174.7° | 54.7° |
| N1 | C14 | C15 | H12 | 65.9° | 174.7° |
| O1 | C16 | C15 | C14 | 45.3° | 0.0° |
| O1 | C16 | N2 | H14 | 179.3° | 179.9° |
| O1 | C16 | C15 | H13 | 75.0° | 120.0° |
| O1 | C16 | C15 | H12 | 165.6° | 120.0° |
| C4 | C5 | C2 | C1 | 176.9° | 179.7° |
| C4 | C5 | C2 | S1 | 1.6° | 0.3° |
| C5 | C4 | C3 | N11 | 173.9° | 177.5° |
| C5 | C4 | C3 | S1 | 2.6° | 2.1° |
| C4 | C5 | C6 | H5 | 88.4° | 88.9° |
| C4 | C5 | C6 | H6 | 151.6° | 151.0° |
| C4 | C5 | C6 | H4 | 31.6° | 31.1° |
| C2 | C5 | C4 | C3 | 0.6° | 1.5° |
| C5 | C2 | C1 | S1 | 178.5° | 180.0° |
| C5 | C2 | S1 | C3 | 2.6° | 0.8° |
| C2 | C5 | C6 | H5 | 88.2° | 91.0° |
| C2 | C5 | C6 | H6 | 31.8° | 29.1° |
| C2 | C5 | C6 | H4 | 151.8° | 149.0° |
| C5 | C2 | C1 | H1 | 178.5° | 90.0° |
| C5 | C2 | C1 | H2 | 58.5° | 150.0° |
| C5 | C2 | C1 | H3 | 61.5° | 30.0° |
| C16 | C15 | C14 | H13 | 120.3° | 120.0° |
| C16 | C15 | C14 | H12 | 120.3° | 120.0° |
| C16 | C15 | C14 | C45 | 177.0° | 175.0° |
| C16 | C15 | C14 | H11 | 65.0° | 54.9° |
| C15 | C16 | N2 | H14 | 1.6° | 0.1° |
| C16 | C15 | H13 | H12 | 119.1° | 120.0° |
| C4 | C3 | S1 | C2 | 3.1° | 1.7° |
| C4 | C3 | N11 | S1 | 170.7° | 179.5° |
| C4 | C3 | N11 | C45 | 30.8° | 33.6° |
| C4 | C3 | N11 | C46 | 146.1° | 146.8° |
| C1 | C2 | S1 | C3 | 176.2° | 179.2° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C2 | S1 | C3 | N11 | 174.5° | 177.9° |
| S1 | C2 | C1 | H1 | 0.0° | 90.0° |
| S1 | C2 | C1 | H2 | 120.0° | 30.0° |
| S1 | C2 | C1 | H3 | 120.0° | 150.0° |
| C15 | C14 | C45 | H11 | 117.8° | 120.1° |
| C15 | C14 | C45 | N11 | 160.8° | 60.4° |
| C15 | C14 | C45 | N9 | 18.2° | 119.8° |
| C14 | C15 | H13 | H12 | 119.1° | 120.0° |
| C14 | C45 | N11 | C3 | 4.2° | 1.3° |
| C14 | C45 | N11 | N9 | 179.2° | 179.9° |
| C14 | C45 | N11 | C46 | 178.3° | 179.1° |
| C14 | C45 | N9 | N10 | 178.6° | 179.2° |
| C45 | C14 | C15 | H13 | 62.7° | 65.0° |
| C45 | C14 | C15 | H12 | 56.7° | 55.0° |
| C3 | N11 | C45 | C46 | 177.5° | 179.6° |
| C3 | N11 | C45 | N9 | 176.6° | 178.9° |
| C3 | N11 | C46 | N10 | 176.3° | 179.0° |
| C3 | N11 | C46 | C47 | 1.9° | 1.1° |
| S1 | C3 | N11 | C45 | 139.9° | 145.9° |
| S1 | C3 | N11 | C46 | 43.2° | 33.7° |
| N11 | C45 | N9 | N10 | 0.5° | 0.6° |
| C45 | N11 | C46 | N10 | 1.0° | 0.6° |
| C45 | N11 | C46 | C47 | 175.4° | 179.3° |
| N11 | C45 | C14 | H11 | 43.1° | 179.5° |
| N9 | C45 | N11 | C46 | 0.9° | 0.8° |
| C45 | N9 | N10 | C46 | 0.2° | 0.2° |
| N9 | C45 | C14 | H11 | 136.0° | 0.3° |
| N11 | C46 | N10 | N9 | 0.7° | 0.3° |
| N11 | C46 | N10 | C47 | 174.1° | 179.9° |
| N11 | C46 | C47 | H48 | 173.3° | 90.1° |
| N11 | C46 | C47 | H49 | 53.3° | 29.9° |
| N11 | C46 | C47 | H50 | 66.7° | 150.0° |
| N9 | N10 | C46 | C47 | 174.8° | 179.7° |
| N10 | C46 | C47 | H48 | 0.0° | 90.0° |
| N10 | C46 | C47 | H49 | 120.0° | 150.0° |
| N10 | C46 | C47 | H50 | 120.0° | 30.0° |
| C46 | C47 | H48 | H49 | 120.0° | 120.0° |
| C46 | C47 | H48 | H50 | 120.0° | 120.0° |
| C46 | C47 | H49 | H50 | 120.0° | 120.0° |
| H11 | C14 | C15 | H13 | 55.3° | 174.9° |
| H11 | C14 | C15 | H12 | 174.7° | 65.2° |
| H5 | C6 | H6 | H4 | 120.0° | 120.0° |
| H7 | C9 | C10 | H8 | 5.6° | 0.1° |
| H9 | C12 | C13 | H10 | 3.9° | 0.0° |
| H14 | N2 | C17 | H16 | 135.9° | 119.9° |
| H14 | N2 | C17 | H15 | 17.5° | 120.1° |
| H1 | C1 | H2 | H3 | 119.9° | 120.1° |
| H16 | C17 | C18 | H18 | 43.8° | 65.0° |
| H16 | C17 | C18 | H17 | 74.6° | 175.0° |
| H15 | C17 | C18 | H18 | 162.2° | 55.0° |
| H15 | C17 | C18 | H17 | 43.8° | 65.0° |
| H20 | C19 | C20 | H22 | 52.0° | 60.0° |
| H20 | C19 | C20 | H21 | 170.7° | 179.9° |
| H19 | C19 | C20 | H22 | 66.8° | 180.0° |
| H19 | C19 | C20 | H21 | 52.0° | 60.0° |
| H27 | C24 | C25 | H28 | 65.9° | 175.6° |
| H26 | C24 | C25 | H28 | 174.3° | 64.4° |
| H28 | C25 | C26 | H29 | 80.1° | 77.0° |
| H28 | C25 | C26 | H30 | 160.8° | 40.1° |
| H28 | C25 | C38 | H44 | 136.6° | 56.9° |
| H33 | C29 | C30 | H34 | 2.7° | 0.0° |
| H34 | C30 | C31 | H35 | 6.8° | 0.1° |
| H35 | C31 | C32 | H36 | 6.9° | 0.1° |
| H37 | C34 | C35 | H39 | 48.1° | 136.1° |
| H37 | C34 | C35 | H38 | 70.9° | 17.6° |
| H39 | C35 | C36 | H41 | 54.5° | 59.6° |
| H39 | C35 | C36 | H40 | 173.9° | 178.4° |
| H38 | C35 | C36 | H41 | 64.6° | 58.5° |
| H38 | C35 | C36 | H40 | 54.9° | 60.2° |
| H41 | C36 | C37 | H42 | 65.1° | 46.7° |
| H41 | C36 | C37 | H43 | 54.5° | 72.0° |
| H40 | C36 | C37 | H42 | 54.4° | 165.4° |
| H40 | C36 | C37 | H43 | 173.9° | 46.6° |
| H42 | C37 | C38 | H44 | 72.3° | 114.6° |
| H43 | C37 | C38 | H44 | 47.2° | 4.2° |
| H48 | C47 | H49 | H50 | 120.0° | 120.0° |
