UB0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | sing | 1.35Å | 1.26Å | |
| O1 | C | doub | 1.22Å | 1.17Å | |
| C | C1 | sing | 1.41Å | 1.48Å | |
| C1 | C2 | doub | 1.37Å | 1.37Å | Aromatic |
| O2 | C2 | sing | 1.36Å | 1.27Å | |
| C3 | O2 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| O3 | C4 | doub | 1.21Å | 1.16Å | |
| O4 | C4 | sing | 1.34Å | 1.27Å | |
| C2 | C5 | sing | 1.37Å | 1.43Å | Aromatic |
| CL | C5 | sing | 1.74Å | 1.71Å | |
| C5 | C6 | doub | 1.36Å | 1.35Å | Aromatic |
| S | C6 | sing | 1.76Å | 1.71Å | Aromatic |
| C1 | S | sing | 1.76Å | 1.72Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.47Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | N | sing | 1.40Å | 1.37Å | |
| N | C10 | sing | 1.47Å | 1.43Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | N1 | sing | 1.47Å | 1.48Å | |
| C13 | N1 | sing | 1.47Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C15 | C13 | sing | 1.53Å | 1.53Å | |
| C16 | C13 | sing | 1.53Å | 1.52Å | |
| C10 | C16 | sing | 1.53Å | 1.52Å | |
| N1 | S1 | sing | 1.66Å | 1.60Å | |
| O5 | S1 | doub | 1.42Å | 1.41Å | |
| O6 | S1 | doub | 1.42Å | 1.41Å | |
| S1 | C17 | sing | 1.81Å | 1.79Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | N2 | sing | 1.40Å | 1.40Å | |
| N2 | C21 | sing | 1.35Å | 1.32Å | |
| O7 | C21 | doub | 1.21Å | 1.21Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | N3 | sing | 1.47Å | 1.45Å | |
| N3 | C23 | sing | 1.47Å | 1.45Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.38Å | Aromatic |
| C29 | N4 | sing | 1.39Å | 1.38Å | |
| C30 | N4 | sing | 1.35Å | 1.36Å | |
| O8 | C30 | doub | 1.22Å | 1.20Å | |
| O9 | C30 | sing | 1.34Å | 1.37Å | |
| C31 | O9 | sing | 1.36Å | 1.37Å | |
| C29 | C31 | sing | 1.40Å | 1.37Å | Aromatic |
| C32 | C31 | doub | 1.39Å | 1.37Å | Aromatic |
| C26 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| N4 | C33 | sing | 1.47Å | 1.45Å | |
| C33 | C34 | sing | 1.51Å | 1.51Å | |
| O10 | C34 | doub | 1.21Å | 1.22Å | |
| C34 | N5 | sing | 1.34Å | 1.35Å | |
| N5 | C35 | sing | 1.34Å | 1.36Å | |
| C35 | O11 | doub | 1.21Å | 1.22Å | |
| C36 | C35 | sing | 1.51Å | 1.49Å | |
| C37 | C36 | sing | 1.53Å | 1.52Å | |
| C33 | C37 | sing | 1.53Å | 1.48Å | |
| C38 | C25 | sing | 1.53Å | 1.52Å | |
| C39 | C38 | sing | 1.53Å | 1.51Å | |
| N3 | C39 | sing | 1.47Å | 1.44Å | |
| C40 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.38Å | Aromatic |
| C42 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C42 | sing | 1.38Å | 1.38Å | Aromatic |
| C43 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C44 | C43 | sing | 1.38Å | 1.38Å | Aromatic |
| C45 | C44 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C45 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H41 | sing | 1.09Å | 1.10Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å | |
| C40 | H43 | sing | 1.08Å | 1.08Å | |
| C41 | H44 | sing | 1.08Å | 1.08Å | |
| C42 | H45 | sing | 1.08Å | 1.08Å | |
| C43 | H46 | sing | 1.08Å | 1.08Å | |
| C44 | H47 | sing | 1.08Å | 1.08Å | |
| C45 | H48 | sing | 1.08Å | 1.08Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| N5 | H34 | sing | 0.97Å | 1.00Å | |
| O4 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | O1 | 121.9° | 120.0° |
| O | C | C1 | 116.9° | 120.0° |
| C | O | H | 109.5° | 114.1° |
| O1 | C | C1 | 121.0° | 120.0° |
| C | C1 | C2 | 130.5° | 125.2° |
| C | C1 | S | 118.0° | 125.2° |
| C1 | C2 | O2 | 124.2° | 122.8° |
| C1 | C2 | C5 | 113.6° | 114.5° |
| C2 | C1 | S | 110.7° | 109.6° |
| C2 | O2 | C3 | 115.8° | 117.0° |
| O2 | C2 | C5 | 122.2° | 122.8° |
| O2 | C3 | C4 | 116.7° | 109.5° |
| O2 | C3 | H1 | 107.6° | 109.5° |
| O2 | C3 | H2 | 107.6° | 109.5° |
| C3 | C4 | O3 | 120.0° | 119.9° |
| C3 | C4 | O4 | 117.4° | 120.0° |
| C4 | C3 | H1 | 107.6° | 109.4° |
| C4 | C3 | H2 | 107.6° | 109.5° |
| O3 | C4 | O4 | 122.6° | 120.0° |
| C4 | O4 | H3 | 109.5° | 116.9° |
| C2 | C5 | CL | 122.3° | 122.6° |
| C2 | C5 | C6 | 110.7° | 114.7° |
| CL | C5 | C6 | 127.0° | 122.7° |
| C5 | C6 | S | 113.6° | 109.9° |
| C5 | C6 | C7 | 128.6° | 125.0° |
| C6 | S | C1 | 91.4° | 91.3° |
| S | C6 | C7 | 117.7° | 125.1° |
| C6 | C7 | C8 | 120.2° | 120.1° |
| C6 | C7 | C45 | 120.7° | 120.1° |
| C7 | C8 | C9 | 120.5° | 119.8° |
| C8 | C7 | C45 | 119.0° | 119.8° |
| C7 | C8 | H4 | 119.8° | 120.1° |
| C8 | C9 | N | 118.9° | 120.0° |
| C8 | C9 | C43 | 119.7° | 120.0° |
| C9 | C8 | H4 | 119.8° | 120.1° |
| C9 | N | C10 | 125.3° | 120.0° |
| N | C9 | C43 | 121.4° | 120.0° |
| C9 | N | H5 | 105.4° | 120.0° |
| N | C10 | C11 | 108.9° | 109.5° |
| N | C10 | C16 | 106.4° | 109.3° |
| N | C10 | H6 | 111.5° | 109.4° |
| C10 | N | H5 | 105.4° | 120.0° |
| C10 | C11 | C12 | 111.4° | 109.4° |
| C11 | C10 | C16 | 109.5° | 109.4° |
| C11 | C10 | H6 | 110.3° | 109.5° |
| C10 | C11 | H8 | 109.0° | 109.4° |
| C10 | C11 | H7 | 109.0° | 109.5° |
| C11 | C12 | N1 | 115.0° | 108.7° |
| C12 | C11 | H8 | 109.0° | 109.2° |
| C12 | C11 | H7 | 109.0° | 109.8° |
| C11 | C12 | H9 | 108.1° | 109.6° |
| C11 | C12 | H10 | 108.1° | 109.6° |
| C12 | N1 | C13 | 114.6° | 118.8° |
| C12 | N1 | S1 | 118.8° | 120.6° |
| N1 | C12 | H9 | 108.1° | 109.6° |
| N1 | C12 | H10 | 108.1° | 109.6° |
| N1 | C13 | C14 | 108.2° | 109.6° |
| N1 | C13 | C15 | 112.4° | 109.6° |
| N1 | C13 | C16 | 111.5° | 108.7° |
| C13 | N1 | S1 | 125.6° | 120.6° |
| C14 | C13 | C15 | 107.8° | 109.6° |
| C14 | C13 | C16 | 108.4° | 109.7° |
| C13 | C14 | H13 | 109.5° | 109.4° |
| C13 | C14 | H11 | 109.5° | 109.5° |
| C13 | C14 | H12 | 109.5° | 109.5° |
| C15 | C13 | C16 | 108.4° | 109.6° |
| C13 | C15 | H16 | 109.5° | 109.5° |
| C13 | C15 | H15 | 109.5° | 109.5° |
| C13 | C15 | H14 | 109.4° | 109.5° |
| C13 | C16 | C10 | 116.6° | 109.4° |
| C13 | C16 | H17 | 107.6° | 109.7° |
| C13 | C16 | H18 | 107.7° | 109.3° |
| C16 | C10 | H6 | 110.2° | 109.8° |
| C10 | C16 | H17 | 107.7° | 109.5° |
| C10 | C16 | H18 | 107.7° | 109.5° |
| N1 | S1 | O5 | 108.8° | 104.2° |
| N1 | S1 | O6 | 108.6° | 104.3° |
| N1 | S1 | C17 | 105.0° | 104.4° |
| O5 | S1 | O6 | 118.6° | 121.1° |
| O5 | S1 | C17 | 107.4° | 110.5° |
| O6 | S1 | C17 | 107.6° | 110.6° |
| S1 | C17 | C18 | 112.4° | 109.5° |
| S1 | C17 | H19 | 108.7° | 109.5° |
| S1 | C17 | H20 | 108.7° | 109.5° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C17 | C18 | C42 | 121.0° | 119.9° |
| C18 | C17 | H19 | 108.7° | 109.5° |
| C18 | C17 | H20 | 108.8° | 109.4° |
| C18 | C19 | C20 | 120.9° | 119.9° |
| C19 | C18 | C42 | 118.9° | 120.1° |
| C18 | C19 | H21 | 119.6° | 120.1° |
| C19 | C20 | N2 | 118.8° | 120.1° |
| C19 | C20 | C40 | 119.6° | 119.8° |
| C20 | C19 | H21 | 119.6° | 120.0° |
| C20 | N2 | C21 | 126.7° | 120.1° |
| N2 | C20 | C40 | 121.6° | 120.1° |
| C20 | N2 | H22 | 116.6° | 120.0° |
| N2 | C21 | O7 | 123.7° | 119.9° |
| N2 | C21 | C22 | 115.1° | 120.1° |
| C21 | N2 | H22 | 116.6° | 120.0° |
| O7 | C21 | C22 | 121.2° | 120.0° |
| C21 | C22 | N3 | 110.9° | 109.5° |
| C21 | C22 | H24 | 109.1° | 109.5° |
| C21 | C22 | H23 | 109.1° | 109.4° |
| C22 | N3 | C23 | 110.9° | 111.0° |
| C22 | N3 | C39 | 111.4° | 111.0° |
| N3 | C22 | H24 | 109.1° | 109.5° |
| N3 | C22 | H23 | 109.1° | 109.5° |
| N3 | C23 | C24 | 111.0° | 109.5° |
| C23 | N3 | C39 | 109.1° | 111.3° |
| N3 | C23 | H26 | 109.1° | 109.4° |
| N3 | C23 | H25 | 109.1° | 109.5° |
| C23 | C24 | C25 | 111.2° | 109.3° |
| C23 | C24 | H27 | 109.0° | 109.5° |
| C23 | C24 | H28 | 109.1° | 109.5° |
| C24 | C23 | H26 | 109.1° | 109.5° |
| C24 | C23 | H25 | 109.1° | 109.5° |
| C24 | C25 | C26 | 112.1° | 109.5° |
| C24 | C25 | C38 | 109.4° | 109.2° |
| C25 | C24 | H27 | 109.0° | 109.5° |
| C25 | C24 | H28 | 109.0° | 109.5° |
| C24 | C25 | H29 | 107.3° | 109.5° |
| C25 | C26 | C27 | 121.1° | 119.9° |
| C25 | C26 | C32 | 119.8° | 119.8° |
| C26 | C25 | C38 | 113.0° | 109.5° |
| C26 | C25 | H29 | 107.4° | 109.5° |
| C26 | C27 | C28 | 121.4° | 120.2° |
| C27 | C26 | C32 | 119.1° | 120.3° |
| C26 | C27 | H30 | 119.3° | 119.9° |
| C27 | C28 | C29 | 118.5° | 119.8° |
| C27 | C28 | H31 | 120.7° | 120.1° |
| C28 | C27 | H30 | 119.3° | 119.9° |
| C28 | C29 | N4 | 132.2° | 133.4° |
| C28 | C29 | C31 | 120.4° | 120.0° |
| C29 | C28 | H31 | 120.7° | 120.0° |
| C29 | N4 | C30 | 109.5° | 107.5° |
| N4 | C29 | C31 | 105.8° | 106.6° |
| C29 | N4 | C33 | 126.0° | 126.3° |
| N4 | C30 | O8 | 129.0° | 125.2° |
| N4 | C30 | O9 | 108.0° | 109.4° |
| C30 | N4 | C33 | 124.3° | 126.2° |
| O8 | C30 | O9 | 122.9° | 125.3° |
| C30 | O9 | C31 | 107.1° | 109.2° |
| O9 | C31 | C29 | 109.5° | 107.3° |
| O9 | C31 | C32 | 128.3° | 133.0° |
| C29 | C31 | C32 | 120.9° | 119.7° |
| C31 | C32 | C26 | 119.6° | 119.9° |
| C31 | C32 | H32 | 120.2° | 120.0° |
| C26 | C32 | H32 | 120.2° | 120.1° |
| N4 | C33 | C34 | 109.4° | 109.5° |
| N4 | C33 | C37 | 105.5° | 109.5° |
| N4 | C33 | H33 | 110.5° | 109.6° |
| C33 | C34 | O10 | 122.2° | 119.3° |
| C33 | C34 | N5 | 115.9° | 121.3° |
| C34 | C33 | C37 | 111.5° | 109.1° |
| C34 | C33 | H33 | 109.7° | 109.6° |
| O10 | C34 | N5 | 121.9° | 119.4° |
| C34 | N5 | C35 | 126.6° | 122.6° |
| C34 | N5 | H34 | 116.7° | 118.7° |
| N5 | C35 | O11 | 120.5° | 119.4° |
| N5 | C35 | C36 | 117.2° | 121.3° |
| C35 | N5 | H34 | 116.7° | 118.7° |
| O11 | C35 | C36 | 122.3° | 119.3° |
| C35 | C36 | C37 | 111.3° | 109.1° |
| C35 | C36 | H36 | 109.0° | 109.5° |
| C35 | C36 | H35 | 109.0° | 109.5° |
| C36 | C37 | C33 | 107.4° | 108.6° |
| C37 | C36 | H36 | 109.0° | 109.5° |
| C37 | C36 | H35 | 109.0° | 109.6° |
| C36 | C37 | H38 | 110.0° | 109.6° |
| C36 | C37 | H37 | 110.0° | 109.6° |
| C37 | C33 | H33 | 110.1° | 109.5° |
| C33 | C37 | H38 | 110.0° | 109.6° |
| C33 | C37 | H37 | 110.0° | 109.7° |
| C25 | C38 | C39 | 111.2° | 109.3° |
| C38 | C25 | H29 | 107.3° | 109.6° |
| C25 | C38 | H40 | 109.0° | 109.5° |
| C25 | C38 | H39 | 109.0° | 109.5° |
| C38 | C39 | N3 | 111.0° | 109.5° |
| C39 | C38 | H40 | 109.0° | 109.5° |
| C39 | C38 | H39 | 109.0° | 109.6° |
| C38 | C39 | H41 | 109.1° | 109.5° |
| C38 | C39 | H42 | 109.1° | 109.4° |
| N3 | C39 | H41 | 109.1° | 109.5° |
| N3 | C39 | H42 | 109.1° | 109.5° |
| C20 | C40 | C41 | 119.6° | 120.0° |
| C20 | C40 | H43 | 120.2° | 120.0° |
| C40 | C41 | C42 | 120.4° | 120.1° |
| C41 | C40 | H43 | 120.2° | 120.0° |
| C40 | C41 | H44 | 119.8° | 119.9° |
| C41 | C42 | C18 | 120.6° | 120.1° |
| C42 | C41 | H44 | 119.8° | 120.0° |
| C41 | C42 | H45 | 119.7° | 119.9° |
| C18 | C42 | H45 | 119.7° | 120.0° |
| C9 | C43 | C44 | 119.9° | 120.3° |
| C9 | C43 | H46 | 120.1° | 119.9° |
| C43 | C44 | C45 | 120.2° | 120.2° |
| C44 | C43 | H46 | 120.1° | 119.8° |
| C43 | C44 | H47 | 119.9° | 119.9° |
| C44 | C45 | C7 | 120.4° | 120.0° |
| C45 | C44 | H47 | 119.9° | 119.9° |
| C44 | C45 | H48 | 119.8° | 120.0° |
| C7 | C45 | H48 | 119.8° | 120.0° |
| H16 | C15 | H15 | 109.5° | 109.4° |
| H16 | C15 | H14 | 109.4° | 109.5° |
| H15 | C15 | H14 | 109.5° | 109.4° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H24 | C22 | H23 | 109.5° | 109.4° |
| H27 | C24 | H28 | 109.5° | 109.5° |
| H8 | C11 | H7 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.7° |
| H13 | C14 | H11 | 109.5° | 109.5° |
| H13 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.4° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H26 | C23 | H25 | 109.4° | 109.4° |
| H1 | C3 | H2 | 109.5° | 109.4° |
| H36 | C36 | H35 | 109.5° | 109.5° |
| H38 | C37 | H37 | 109.4° | 109.8° |
| H40 | C38 | H39 | 109.5° | 109.5° |
| H41 | C39 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | O1 | C1 | 174.3° | 179.9° |
| O | C | C1 | C2 | 160.5° | 180.0° |
| O | C | C1 | S | 7.5° | 0.1° |
| O1 | C | C1 | C2 | 24.9° | 0.1° |
| O1 | C | C1 | S | 167.0° | 180.0° |
| O1 | C | O | H | 0.0° | 0.0° |
| C | C1 | C2 | S | 168.7° | 179.9° |
| C | C1 | C2 | O2 | 12.9° | 0.1° |
| C | C1 | C2 | C5 | 168.9° | 180.0° |
| C | C1 | S | C6 | 170.6° | 180.0° |
| C1 | C | O | H | 174.5° | 180.0° |
| C1 | C2 | O2 | C5 | 178.0° | 179.9° |
| C1 | C2 | O2 | C3 | 101.9° | 90.0° |
| C1 | C2 | C5 | CL | 179.6° | 179.7° |
| C1 | C2 | C5 | C6 | 0.1° | 0.1° |
| C2 | C1 | S | C6 | 0.3° | 0.0° |
| C2 | O2 | C3 | C4 | 173.0° | 180.0° |
| O2 | C2 | C5 | CL | 2.2° | 0.2° |
| O2 | C2 | C5 | C6 | 178.1° | 180.0° |
| O2 | C2 | C1 | S | 178.3° | 180.0° |
| C2 | O2 | C3 | H1 | 52.0° | 60.0° |
| C2 | O2 | C3 | H2 | 65.9° | 60.0° |
| O2 | C3 | C4 | H1 | 121.1° | 120.1° |
| O2 | C3 | C4 | H2 | 121.1° | 120.0° |
| O2 | C3 | C4 | O3 | 177.9° | 0.1° |
| O2 | C3 | C4 | O4 | 1.0° | 180.0° |
| C3 | O2 | C2 | C5 | 80.1° | 90.0° |
| O2 | C3 | H1 | H2 | 116.7° | 120.0° |
| C3 | C4 | O3 | O4 | 178.8° | 179.9° |
| C4 | C3 | H1 | H2 | 116.7° | 119.9° |
| C3 | C4 | O4 | H3 | 178.9° | 180.0° |
| O3 | C4 | C3 | H1 | 61.0° | 120.0° |
| O3 | C4 | C3 | H2 | 56.9° | 120.1° |
| O3 | C4 | O4 | H3 | 0.0° | 0.1° |
| O4 | C4 | C3 | H1 | 120.1° | 59.9° |
| O4 | C4 | C3 | H2 | 122.0° | 60.0° |
| C2 | C5 | CL | C6 | 179.6° | 179.8° |
| C2 | C5 | C6 | S | 0.3° | 0.1° |
| C5 | C2 | C1 | S | 0.2° | 0.1° |
| C2 | C5 | C6 | C7 | 179.6° | 180.0° |
| CL | C5 | C6 | S | 179.3° | 179.7° |
| CL | C5 | C6 | C7 | 0.1° | 0.2° |
| C5 | C6 | S | C7 | 179.3° | 179.9° |
| C5 | C6 | S | C1 | 0.4° | 0.0° |
| C5 | C6 | C7 | C8 | 34.7° | 132.5° |
| C5 | C6 | C7 | C45 | 142.1° | 47.7° |
| S | C6 | C7 | C8 | 144.5° | 47.4° |
| S | C6 | C7 | C45 | 38.7° | 132.4° |
| C1 | S | C6 | C7 | 179.7° | 180.0° |
| C6 | C7 | C8 | C45 | 176.8° | 179.8° |
| C6 | C7 | C8 | C9 | 170.6° | 180.0° |
| C6 | C7 | C45 | C44 | 175.8° | 180.0° |
| C6 | C7 | C8 | H4 | 9.4° | 0.0° |
| C6 | C7 | C45 | H48 | 4.2° | 0.0° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C7 | C8 | C9 | N | 171.5° | 179.9° |
| C7 | C8 | C9 | C43 | 7.5° | 0.0° |
| C8 | C7 | C45 | C44 | 1.0° | 0.2° |
| C8 | C7 | C45 | H48 | 178.9° | 179.7° |
| C8 | C9 | N | C43 | 178.9° | 179.9° |
| C8 | C9 | N | C10 | 165.4° | 180.0° |
| C8 | C9 | C43 | C44 | 3.4° | 0.2° |
| C9 | C8 | C7 | C45 | 6.3° | 0.2° |
| C8 | C9 | N | H5 | 72.5° | 0.0° |
| C8 | C9 | C43 | H46 | 176.6° | 180.0° |
| C9 | N | C10 | H5 | 122.1° | 180.0° |
| C9 | N | C10 | C11 | 174.0° | 85.0° |
| C9 | N | C10 | C16 | 68.2° | 155.2° |
| N | C9 | C43 | C44 | 175.5° | 179.7° |
| N | C9 | C8 | H4 | 8.5° | 0.1° |
| C9 | N | C10 | H6 | 52.0° | 35.0° |
| N | C9 | C43 | H46 | 4.5° | 0.1° |
| N | C10 | C11 | C16 | 115.9° | 119.7° |
| N | C10 | C11 | H6 | 122.7° | 120.0° |
| N | C10 | C11 | C12 | 169.0° | 178.6° |
| N | C10 | C16 | C13 | 169.5° | 178.5° |
| N | C10 | C16 | H6 | 121.1° | 120.0° |
| C10 | N | C9 | C43 | 13.5° | 0.1° |
| N | C10 | C11 | H8 | 70.7° | 58.9° |
| N | C10 | C11 | H7 | 48.7° | 61.1° |
| N | C10 | C16 | H17 | 69.5° | 61.3° |
| N | C10 | C16 | H18 | 48.4° | 58.8° |
| C10 | C11 | C12 | H8 | 120.3° | 119.8° |
| C10 | C11 | C12 | H7 | 120.3° | 120.2° |
| C10 | C11 | C12 | N1 | 53.7° | 54.8° |
| C11 | C10 | C16 | C13 | 52.0° | 61.6° |
| C11 | C10 | C16 | H6 | 121.5° | 120.1° |
| C11 | C10 | N | H5 | 51.9° | 95.0° |
| C10 | C11 | H8 | H7 | 119.1° | 120.0° |
| C10 | C11 | C12 | H9 | 67.1° | 174.5° |
| C10 | C11 | C12 | H10 | 174.5° | 65.0° |
| C11 | C10 | C16 | H17 | 173.1° | 58.6° |
| C11 | C10 | C16 | H18 | 69.0° | 178.7° |
| C11 | C12 | N1 | H9 | 120.8° | 119.7° |
| C11 | C12 | N1 | H10 | 120.8° | 119.8° |
| C11 | C12 | N1 | C13 | 48.7° | 53.4° |
| C12 | C11 | C10 | C16 | 53.1° | 61.7° |
| C11 | C12 | N1 | S1 | 141.9° | 126.4° |
| C12 | C11 | C10 | H6 | 68.3° | 58.6° |
| C12 | C11 | H8 | H7 | 119.1° | 120.3° |
| C11 | C12 | H9 | H10 | 117.5° | 120.4° |
| C12 | N1 | C13 | S1 | 168.5° | 179.7° |
| C12 | N1 | C13 | C14 | 75.7° | 66.6° |
| C12 | N1 | C13 | C15 | 165.4° | 173.1° |
| C12 | N1 | C13 | C16 | 43.4° | 53.3° |
| C12 | N1 | S1 | O5 | 147.3° | 14.3° |
| C12 | N1 | S1 | O6 | 16.8° | 142.1° |
| C12 | N1 | S1 | C17 | 98.0° | 101.7° |
| N1 | C12 | C11 | H8 | 174.0° | 174.6° |
| N1 | C12 | C11 | H7 | 66.6° | 65.4° |
| N1 | C12 | H9 | H10 | 117.5° | 120.4° |
| N1 | C13 | C14 | C15 | 121.8° | 120.3° |
| N1 | C13 | C14 | C16 | 121.0° | 119.3° |
| N1 | C13 | C15 | C16 | 123.7° | 119.3° |
| N1 | C13 | C16 | C10 | 46.8° | 54.6° |
| C13 | N1 | S1 | O5 | 44.7° | 165.4° |
| C13 | N1 | S1 | O6 | 175.1° | 37.6° |
| C13 | N1 | S1 | C17 | 70.1° | 78.5° |
| N1 | C13 | C15 | H16 | 180.0° | 68.8° |
| N1 | C13 | C15 | H15 | 60.0° | 171.3° |
| N1 | C13 | C15 | H14 | 60.0° | 51.3° |
| C13 | N1 | C12 | H9 | 72.1° | 173.1° |
| C13 | N1 | C12 | H10 | 169.5° | 66.4° |
| N1 | C13 | C14 | H13 | 180.0° | 60.0° |
| N1 | C13 | C14 | H11 | 60.0° | 180.0° |
| N1 | C13 | C14 | H12 | 60.0° | 60.0° |
| N1 | C13 | C16 | H17 | 167.8° | 65.5° |
| N1 | C13 | C16 | H18 | 74.3° | 174.5° |
| C14 | C13 | C15 | C16 | 117.1° | 120.5° |
| C14 | C13 | C16 | C10 | 72.2° | 65.2° |
| C14 | C13 | N1 | S1 | 92.8° | 113.7° |
| C14 | C13 | C15 | H16 | 60.9° | 171.0° |
| C14 | C13 | C15 | H15 | 59.2° | 51.0° |
| C14 | C13 | C15 | H14 | 179.2° | 69.0° |
| C13 | C14 | H13 | H11 | 120.0° | 120.0° |
| C13 | C14 | H13 | H12 | 120.0° | 120.0° |
| C13 | C14 | H11 | H12 | 120.0° | 120.0° |
| C14 | C13 | C16 | H17 | 48.8° | 174.7° |
| C14 | C13 | C16 | H18 | 166.8° | 54.7° |
| C15 | C13 | C16 | C10 | 171.0° | 174.4° |
| C15 | C13 | N1 | S1 | 26.1° | 6.6° |
| C13 | C15 | H16 | H15 | 120.0° | 120.0° |
| C13 | C15 | H16 | H14 | 120.0° | 120.1° |
| C13 | C15 | H15 | H14 | 120.0° | 120.0° |
| C15 | C13 | C14 | H13 | 58.2° | 60.3° |
| C15 | C13 | C14 | H11 | 178.2° | 59.7° |
| C15 | C13 | C14 | H12 | 61.8° | 179.7° |
| C15 | C13 | C16 | H17 | 68.0° | 54.3° |
| C15 | C13 | C16 | H18 | 50.0° | 65.7° |
| C13 | C16 | C10 | H17 | 121.0° | 120.2° |
| C13 | C16 | C10 | H18 | 121.1° | 119.7° |
| C16 | C13 | N1 | S1 | 148.1° | 126.4° |
| C13 | C16 | C10 | H6 | 69.5° | 58.5° |
| C16 | C13 | C15 | H16 | 56.3° | 50.5° |
| C16 | C13 | C15 | H15 | 176.3° | 69.5° |
| C16 | C13 | C15 | H14 | 63.7° | 170.6° |
| C16 | C13 | C14 | H13 | 59.0° | 179.3° |
| C16 | C13 | C14 | H11 | 61.0° | 60.7° |
| C16 | C13 | C14 | H12 | 179.0° | 59.3° |
| C13 | C16 | H17 | H18 | 116.8° | 119.9° |
| C16 | C10 | N | H5 | 169.7° | 24.8° |
| C16 | C10 | C11 | H8 | 173.4° | 178.7° |
| C16 | C10 | C11 | H7 | 67.2° | 58.7° |
| C10 | C16 | H17 | H18 | 116.8° | 120.1° |
| N1 | S1 | O5 | O6 | 124.8° | 116.7° |
| N1 | S1 | O5 | C17 | 113.1° | 111.7° |
| N1 | S1 | O6 | C17 | 113.1° | 111.7° |
| N1 | S1 | C17 | C18 | 171.5° | 180.0° |
| N1 | S1 | C17 | H19 | 51.1° | 60.0° |
| N1 | S1 | C17 | H20 | 68.1° | 60.0° |
| S1 | N1 | C12 | H9 | 97.3° | 6.6° |
| S1 | N1 | C12 | H10 | 21.1° | 113.8° |
| O5 | S1 | O6 | C17 | 122.0° | 131.6° |
| O5 | S1 | C17 | C18 | 55.8° | 68.4° |
| O5 | S1 | C17 | H19 | 64.7° | 51.6° |
| O5 | S1 | C17 | H20 | 176.2° | 171.6° |
| O6 | S1 | C17 | C18 | 72.9° | 68.4° |
| O6 | S1 | C17 | H19 | 166.6° | 171.6° |
| O6 | S1 | C17 | H20 | 47.5° | 51.6° |
| S1 | C17 | C18 | H19 | 120.4° | 120.0° |
| S1 | C17 | C18 | H20 | 120.4° | 120.0° |
| S1 | C17 | C18 | C19 | 88.0° | 90.0° |
| S1 | C17 | C18 | C42 | 88.9° | 90.0° |
| S1 | C17 | H19 | H20 | 118.6° | 120.0° |
| C17 | C18 | C19 | C42 | 176.9° | 180.0° |
| C17 | C18 | C19 | C20 | 175.6° | 180.0° |
| C17 | C18 | C42 | C41 | 174.5° | 179.8° |
| C18 | C17 | H19 | H20 | 118.7° | 120.0° |
| C17 | C18 | C19 | H21 | 4.4° | 0.0° |
| C17 | C18 | C42 | H45 | 5.5° | 0.0° |
| C18 | C19 | C20 | H21 | 180.0° | 180.0° |
| C18 | C19 | C20 | N2 | 178.4° | 180.0° |
| C18 | C19 | C20 | C40 | 0.7° | 0.2° |
| C19 | C18 | C42 | C41 | 2.4° | 0.2° |
| C19 | C18 | C17 | H19 | 151.6° | 150.0° |
| C19 | C18 | C17 | H20 | 32.4° | 30.0° |
| C19 | C18 | C42 | H45 | 177.6° | 180.0° |
| C19 | C20 | N2 | C40 | 179.1° | 179.8° |
| C19 | C20 | N2 | C21 | 118.7° | 33.3° |
| C19 | C20 | C40 | C41 | 1.6° | 0.2° |
| C20 | C19 | C18 | C42 | 1.3° | 0.0° |
| C19 | C20 | C40 | H43 | 178.4° | 179.7° |
| C19 | C20 | N2 | H22 | 61.3° | 146.7° |
| C20 | N2 | C21 | H22 | 180.0° | 179.9° |
| C20 | N2 | C21 | O7 | 4.5° | 4.9° |
| C20 | N2 | C21 | C22 | 175.5° | 175.0° |
| N2 | C20 | C40 | C41 | 177.5° | 180.0° |
| N2 | C20 | C19 | H21 | 1.6° | 0.0° |
| N2 | C20 | C40 | H43 | 2.5° | 0.0° |
| N2 | C21 | O7 | C22 | 180.0° | 180.0° |
| N2 | C21 | C22 | N3 | 167.5° | 180.0° |
| C21 | N2 | C20 | C40 | 60.4° | 146.9° |
| N2 | C21 | C22 | H24 | 72.3° | 59.9° |
| N2 | C21 | C22 | H23 | 47.3° | 60.0° |
| O7 | C21 | C22 | N3 | 12.5° | 0.0° |
| O7 | C21 | C22 | H24 | 107.7° | 120.0° |
| O7 | C21 | C22 | H23 | 132.7° | 120.0° |
| O7 | C21 | N2 | H22 | 175.5° | 175.0° |
| C21 | C22 | N3 | H24 | 120.2° | 120.1° |
| C21 | C22 | N3 | H23 | 120.2° | 120.0° |
| C21 | C22 | N3 | C23 | 78.9° | 170.0° |
| C21 | C22 | N3 | C39 | 159.4° | 65.7° |
| C21 | C22 | H24 | H23 | 119.4° | 119.9° |
| C22 | C21 | N2 | H22 | 4.5° | 5.0° |
| C22 | N3 | C23 | C39 | 123.0° | 124.1° |
| C22 | N3 | C23 | C24 | 174.6° | 174.2° |
| C22 | N3 | C39 | C38 | 174.6° | 174.1° |
| N3 | C22 | H24 | H23 | 119.3° | 120.0° |
| C22 | N3 | C23 | H26 | 65.2° | 65.9° |
| C22 | N3 | C23 | H25 | 54.3° | 54.1° |
| C22 | N3 | C39 | H41 | 65.2° | 54.2° |
| C22 | N3 | C39 | H42 | 54.3° | 65.9° |
| N3 | C23 | C24 | H26 | 120.3° | 120.0° |
| N3 | C23 | C24 | H25 | 120.2° | 120.1° |
| N3 | C23 | C24 | C25 | 57.4° | 59.1° |
| C23 | N3 | C39 | C38 | 62.7° | 61.7° |
| C23 | N3 | C22 | H24 | 160.9° | 49.9° |
| C23 | N3 | C22 | H23 | 41.3° | 70.0° |
| N3 | C23 | C24 | H27 | 177.7° | 179.1° |
| N3 | C23 | C24 | H28 | 62.8° | 60.9° |
| N3 | C23 | H26 | H25 | 119.3° | 120.0° |
| C23 | N3 | C39 | H41 | 57.5° | 178.3° |
| C23 | N3 | C39 | H42 | 177.1° | 58.2° |
| C23 | C24 | C25 | H27 | 120.3° | 120.0° |
| C23 | C24 | C25 | H28 | 120.3° | 120.0° |
| C23 | C24 | C25 | C26 | 177.2° | 177.5° |
| C23 | C24 | C25 | C38 | 51.0° | 57.6° |
| C24 | C23 | N3 | C39 | 62.4° | 61.7° |
| C23 | C24 | H27 | H28 | 119.2° | 120.1° |
| C24 | C23 | H26 | H25 | 119.3° | 120.0° |
| C23 | C24 | C25 | H29 | 65.1° | 62.3° |
| C24 | C25 | C26 | C38 | 124.2° | 119.7° |
| C24 | C25 | C26 | H29 | 117.7° | 120.1° |
| C24 | C25 | C26 | C27 | 71.7° | 60.0° |
| C24 | C25 | C26 | C32 | 109.1° | 120.3° |
| C24 | C25 | C38 | H29 | 116.1° | 119.9° |
| C24 | C25 | C38 | C39 | 51.2° | 57.7° |
| C25 | C24 | H27 | H28 | 119.2° | 120.1° |
| C25 | C24 | C23 | H26 | 62.8° | 60.8° |
| C25 | C24 | C23 | H25 | 177.7° | 179.2° |
| C24 | C25 | C38 | H40 | 171.5° | 177.6° |
| C24 | C25 | C38 | H39 | 69.0° | 62.3° |
| C25 | C26 | C27 | C32 | 179.2° | 179.7° |
| C25 | C26 | C27 | C28 | 177.2° | 179.7° |
| C25 | C26 | C32 | C31 | 177.3° | 179.7° |
| C26 | C25 | C38 | H29 | 118.2° | 120.2° |
| C26 | C25 | C38 | C39 | 176.9° | 177.5° |
| C26 | C25 | C24 | H27 | 62.6° | 62.5° |
| C26 | C25 | C24 | H28 | 56.9° | 57.6° |
| C25 | C26 | C27 | H30 | 2.8° | 0.3° |
| C25 | C26 | C32 | H32 | 2.7° | 0.3° |
| C26 | C25 | C38 | H40 | 62.8° | 62.5° |
| C26 | C25 | C38 | H39 | 56.7° | 57.5° |
| C26 | C27 | C28 | H30 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C27 | C26 | C32 | C31 | 1.9° | 0.0° |
| C27 | C26 | C25 | C38 | 52.5° | 59.7° |
| C26 | C27 | C28 | H31 | 179.9° | 180.0° |
| C27 | C26 | C25 | H29 | 170.6° | 179.9° |
| C27 | C26 | C32 | H32 | 178.1° | 180.0° |
| C27 | C28 | C29 | H31 | 180.0° | 180.0° |
| C27 | C28 | C29 | N4 | 165.9° | 180.0° |
| C27 | C28 | C29 | C31 | 2.2° | 0.0° |
| C28 | C27 | C26 | C32 | 1.9° | 0.0° |
| C28 | C29 | N4 | C31 | 165.4° | 179.9° |
| C28 | C29 | N4 | C30 | 163.6° | 180.0° |
| C28 | C29 | C31 | O9 | 165.8° | 180.0° |
| C28 | C29 | C31 | C32 | 2.3° | 0.0° |
| C28 | C29 | N4 | C33 | 21.1° | 0.0° |
| C29 | C28 | C27 | H30 | 179.8° | 180.0° |
| C29 | N4 | C30 | C33 | 175.3° | 180.0° |
| C29 | N4 | C30 | O8 | 177.8° | 179.9° |
| C29 | N4 | C30 | O9 | 1.2° | 0.0° |
| N4 | C29 | C31 | O9 | 1.7° | 0.0° |
| N4 | C29 | C31 | C32 | 169.8° | 180.0° |
| C29 | N4 | C33 | C34 | 121.9° | 174.6° |
| C29 | N4 | C33 | C37 | 118.0° | 65.7° |
| N4 | C29 | C28 | H31 | 14.1° | 0.0° |
| C29 | N4 | C33 | H33 | 1.0° | 54.4° |
| N4 | C30 | O8 | O9 | 176.2° | 179.9° |
| N4 | C30 | O9 | C31 | 0.1° | 0.0° |
| C30 | N4 | C29 | C31 | 1.8° | 0.0° |
| C30 | N4 | C33 | C34 | 52.7° | 5.4° |
| C30 | N4 | C33 | C37 | 67.4° | 114.3° |
| C30 | N4 | C33 | H33 | 173.5° | 125.6° |
| O8 | C30 | O9 | C31 | 177.0° | 179.9° |
| O8 | C30 | N4 | C33 | 2.5° | 0.1° |
| C30 | O9 | C31 | C29 | 1.0° | 0.0° |
| C30 | O9 | C31 | C32 | 167.9° | 180.0° |
| O9 | C30 | N4 | C33 | 174.1° | 180.0° |
| O9 | C31 | C29 | C32 | 168.0° | 180.0° |
| O9 | C31 | C32 | C26 | 165.4° | 180.0° |
| O9 | C31 | C32 | H32 | 14.6° | 0.0° |
| C29 | C31 | C32 | C26 | 0.1° | 0.0° |
| C31 | C29 | N4 | C33 | 173.4° | 180.0° |
| C31 | C29 | C28 | H31 | 177.8° | 179.9° |
| C29 | C31 | C32 | H32 | 179.8° | 180.0° |
| C31 | C32 | C26 | H32 | 180.0° | 180.0° |
| C32 | C26 | C25 | C38 | 126.6° | 120.0° |
| C32 | C26 | C25 | H29 | 8.5° | 0.2° |
| C32 | C26 | C27 | H30 | 178.1° | 179.9° |
| N4 | C33 | C34 | C37 | 116.4° | 119.9° |
| N4 | C33 | C34 | H33 | 121.4° | 120.2° |
| N4 | C33 | C34 | O10 | 31.3° | 89.2° |
| N4 | C33 | C34 | N5 | 148.7° | 90.8° |
| N4 | C33 | C37 | C36 | 177.8° | 64.3° |
| N4 | C33 | C37 | H33 | 119.3° | 120.2° |
| N4 | C33 | C37 | H38 | 62.5° | 55.4° |
| N4 | C33 | C37 | H37 | 58.1° | 176.0° |
| C33 | C34 | O10 | N5 | 180.0° | 180.0° |
| C33 | C34 | N5 | C35 | 0.6° | 0.6° |
| C34 | C33 | C37 | C36 | 59.1° | 55.6° |
| C34 | C33 | C37 | H33 | 122.0° | 119.9° |
| C34 | C33 | C37 | H38 | 178.8° | 175.3° |
| C34 | C33 | C37 | H37 | 60.6° | 64.1° |
| C33 | C34 | N5 | H34 | 179.5° | 179.5° |
| O10 | C34 | N5 | C35 | 179.4° | 179.4° |
| O10 | C34 | C33 | C37 | 147.7° | 150.9° |
| O10 | C34 | C33 | H33 | 90.0° | 31.0° |
| O10 | C34 | N5 | H34 | 0.6° | 0.6° |
| C34 | N5 | C35 | H34 | 180.0° | 180.0° |
| C34 | N5 | C35 | O11 | 179.3° | 179.4° |
| C34 | N5 | C35 | C36 | 1.4° | 0.6° |
| N5 | C34 | C33 | C37 | 32.3° | 29.1° |
| N5 | C34 | C33 | H33 | 90.0° | 149.0° |
| N5 | C35 | O11 | C36 | 179.3° | 180.0° |
| N5 | C35 | C36 | C37 | 27.5° | 29.2° |
| N5 | C35 | C36 | H36 | 92.8° | 149.0° |
| N5 | C35 | C36 | H35 | 147.8° | 90.8° |
| O11 | C35 | C36 | C37 | 151.8° | 150.9° |
| O11 | C35 | C36 | H36 | 87.9° | 31.0° |
| O11 | C35 | C36 | H35 | 31.5° | 89.1° |
| O11 | C35 | N5 | H34 | 0.8° | 0.5° |
| C35 | C36 | C37 | H36 | 120.3° | 119.9° |
| C35 | C36 | C37 | H35 | 120.3° | 119.9° |
| C35 | C36 | C37 | C33 | 56.7° | 55.6° |
| C35 | C36 | H36 | H35 | 119.1° | 120.2° |
| C35 | C36 | C37 | H38 | 176.4° | 175.3° |
| C35 | C36 | C37 | H37 | 63.0° | 64.1° |
| C36 | C35 | N5 | H34 | 178.6° | 179.4° |
| C36 | C37 | C33 | H38 | 119.7° | 119.7° |
| C36 | C37 | C33 | H37 | 119.7° | 119.8° |
| C36 | C37 | C33 | H33 | 63.0° | 175.6° |
| C37 | C36 | H36 | H35 | 119.1° | 120.2° |
| C36 | C37 | H38 | H37 | 120.9° | 120.4° |
| C33 | C37 | C36 | H36 | 63.6° | 175.5° |
| C33 | C37 | C36 | H35 | 177.0° | 64.3° |
| C33 | C37 | H38 | H37 | 120.9° | 120.5° |
| C25 | C38 | C39 | H40 | 120.3° | 119.9° |
| C25 | C38 | C39 | H39 | 120.3° | 120.0° |
| C25 | C38 | C39 | N3 | 58.0° | 59.2° |
| C38 | C25 | C24 | H27 | 171.2° | 177.6° |
| C38 | C25 | C24 | H28 | 69.3° | 62.4° |
| C25 | C38 | H40 | H39 | 119.2° | 120.1° |
| C25 | C38 | C39 | H41 | 62.2° | 179.1° |
| C25 | C38 | C39 | H42 | 178.3° | 60.8° |
| C38 | C39 | N3 | H41 | 120.2° | 120.0° |
| C38 | C39 | N3 | H42 | 120.3° | 120.0° |
| C39 | C38 | C25 | H29 | 64.9° | 62.2° |
| C39 | C38 | H40 | H39 | 119.2° | 120.1° |
| C38 | C39 | H41 | H42 | 119.3° | 120.0° |
| C39 | N3 | C22 | H24 | 39.1° | 174.2° |
| C39 | N3 | C22 | H23 | 80.4° | 54.3° |
| C39 | N3 | C23 | H26 | 57.9° | 58.3° |
| C39 | N3 | C23 | H25 | 177.4° | 178.2° |
| N3 | C39 | C38 | H40 | 178.3° | 179.1° |
| N3 | C39 | C38 | H39 | 62.2° | 60.8° |
| N3 | C39 | H41 | H42 | 119.3° | 120.0° |
| C20 | C40 | C41 | H43 | 180.0° | 180.0° |
| C20 | C40 | C41 | C42 | 0.5° | 0.0° |
| C40 | C20 | C19 | H21 | 179.3° | 179.8° |
| C20 | C40 | C41 | H44 | 179.5° | 179.9° |
| C40 | C20 | N2 | H22 | 119.6° | 33.0° |
| C40 | C41 | C42 | H44 | 180.0° | 179.9° |
| C40 | C41 | C42 | C18 | 1.5° | 0.2° |
| C40 | C41 | C42 | H45 | 178.5° | 180.0° |
| C41 | C42 | C18 | H45 | 180.0° | 179.8° |
| C42 | C41 | C40 | H43 | 179.5° | 180.0° |
| C42 | C18 | C17 | H19 | 31.6° | 30.0° |
| C42 | C18 | C17 | H20 | 150.7° | 150.0° |
| C42 | C18 | C19 | H21 | 178.7° | 180.0° |
| C18 | C42 | C41 | H44 | 178.5° | 179.7° |
| C9 | C43 | C44 | H46 | 180.0° | 179.8° |
| C9 | C43 | C44 | C45 | 1.7° | 0.2° |
| C43 | C9 | C8 | H4 | 172.5° | 180.0° |
| C43 | C9 | N | H5 | 108.5° | 180.0° |
| C9 | C43 | C44 | H47 | 178.3° | 180.0° |
| C43 | C44 | C45 | H47 | 180.0° | 179.7° |
| C43 | C44 | C45 | C7 | 2.9° | 0.0° |
| C43 | C44 | C45 | H48 | 177.1° | 180.0° |
| C44 | C45 | C7 | H48 | 180.0° | 180.0° |
| C45 | C44 | C43 | H46 | 178.2° | 180.0° |
| C45 | C7 | C8 | H4 | 173.7° | 179.8° |
| C7 | C45 | C44 | H47 | 177.1° | 179.7° |
| H6 | C10 | N | H5 | 70.1° | 145.0° |
| H6 | C10 | C11 | H8 | 52.0° | 61.0° |
| H6 | C10 | C11 | H7 | 171.4° | 179.0° |
| H6 | C10 | C16 | H17 | 51.6° | 178.7° |
| H6 | C10 | C16 | H18 | 169.5° | 61.2° |
| H16 | C15 | H15 | H14 | 120.0° | 120.0° |
| H27 | C24 | C23 | H26 | 57.4° | 59.1° |
| H27 | C24 | C23 | H25 | 62.1° | 60.8° |
| H27 | C24 | C25 | H29 | 55.1° | 57.6° |
| H28 | C24 | C23 | H26 | 176.9° | 179.2° |
| H28 | C24 | C23 | H25 | 57.4° | 59.2° |
| H28 | C24 | C25 | H29 | 174.6° | 177.7° |
| H31 | C28 | C27 | H30 | 0.1° | 0.0° |
| H8 | C11 | C12 | H9 | 53.2° | 65.7° |
| H8 | C11 | C12 | H10 | 65.2° | 54.8° |
| H7 | C11 | C12 | H9 | 172.6° | 54.4° |
| H7 | C11 | C12 | H10 | 54.2° | 174.9° |
| H13 | C14 | H11 | H12 | 120.0° | 120.0° |
| H29 | C25 | C38 | H40 | 55.4° | 57.7° |
| H29 | C25 | C38 | H39 | 174.8° | 177.7° |
| H33 | C33 | C37 | H38 | 56.7° | 64.8° |
| H33 | C33 | C37 | H37 | 177.3° | 55.8° |
| H36 | C36 | C37 | H38 | 56.1° | 64.8° |
| H36 | C36 | C37 | H37 | 176.7° | 55.8° |
| H35 | C36 | C37 | H38 | 63.3° | 55.4° |
| H35 | C36 | C37 | H37 | 57.3° | 175.9° |
| H40 | C38 | C39 | H41 | 58.1° | 61.0° |
| H40 | C38 | C39 | H42 | 61.5° | 59.1° |
| H39 | C38 | C39 | H41 | 177.5° | 59.2° |
| H39 | C38 | C39 | H42 | 58.0° | 179.2° |
| H43 | C40 | C41 | H44 | 0.5° | 0.0° |
| H44 | C41 | C42 | H45 | 1.5° | 0.1° |
| H46 | C43 | C44 | H47 | 1.8° | 0.3° |
| H47 | C44 | C45 | H48 | 2.9° | 0.3° |
