XZD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | P1 | doub | 1.48Å | 1.51Å | |
| C39 | C40 | sing | 1.53Å | 1.51Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| O5 | C40 | sing | 1.43Å | 1.44Å | |
| O5 | C41 | sing | 1.43Å | 1.43Å | |
| O4 | S1 | doub | 1.42Å | 1.43Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C37 | N5 | sing | 1.47Å | 1.44Å | |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| O11 | P1 | sing | 1.61Å | 1.52Å | |
| C42 | C38 | sing | 1.53Å | 1.53Å | |
| C42 | C41 | sing | 1.53Å | 1.51Å | |
| P1 | O8 | sing | 1.61Å | 1.61Å | |
| P1 | O10 | sing | 1.61Å | 1.56Å | |
| N5 | C30 | sing | 1.40Å | 1.36Å | |
| C27 | S1 | sing | 1.76Å | 1.76Å | |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C43 | doub | 1.39Å | 1.43Å | Aromatic |
| S1 | O3 | doub | 1.42Å | 1.43Å | |
| S1 | N1 | sing | 1.66Å | 1.62Å | |
| C43 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C43 | N6 | sing | 1.48Å | 1.46Å | |
| O8 | C46 | sing | 1.43Å | 1.36Å | |
| O6 | N6 | sing | 1.22Å | 1.22Å | |
| N6 | O7 | doub | 1.22Å | 1.22Å | |
| N1 | C7 | sing | 1.35Å | 1.38Å | |
| O1 | C7 | doub | 1.22Å | 1.23Å | |
| C46 | N4 | sing | 1.47Å | 1.46Å | |
| C7 | C6 | sing | 1.47Å | 1.50Å | |
| N4 | C25 | sing | 1.34Å | 1.37Å | Aromatic |
| N4 | C24 | sing | 1.37Å | 1.37Å | Aromatic |
| C25 | C21 | doub | 1.38Å | 1.34Å | Aromatic |
| C24 | N7 | doub | 1.32Å | 1.33Å | Aromatic |
| C24 | C23 | sing | 1.42Å | 1.45Å | Aromatic |
| N7 | C45 | sing | 1.33Å | 1.37Å | Aromatic |
| O2 | C21 | sing | 1.36Å | 1.40Å | |
| O2 | C1 | sing | 1.36Å | 1.40Å | |
| C21 | C22 | sing | 1.39Å | 1.44Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.37Å | Aromatic |
| C23 | C44 | sing | 1.41Å | 1.42Å | Aromatic |
| C45 | C44 | doub | 1.36Å | 1.38Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.36Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | N2 | sing | 1.39Å | 1.40Å | |
| N2 | C11 | sing | 1.47Å | 1.47Å | |
| N2 | C8 | sing | 1.47Å | 1.47Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | N3 | sing | 1.47Å | 1.48Å | |
| C9 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C12 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C34 | C13 | sing | 1.50Å | 1.51Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | doub | 1.31Å | 1.36Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C32 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.48Å | 1.48Å | |
| C14 | C31 | sing | 1.50Å | 1.50Å | |
| C15 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.53Å | 1.54Å | |
| C18 | CL1 | sing | 1.74Å | 1.74Å | |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C32 | C36 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H24 | sing | 1.08Å | 1.08Å | |
| N5 | H25 | sing | 0.97Å | 1.00Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C38 | H40 | sing | 1.09Å | 1.10Å | |
| C39 | H41 | sing | 1.09Å | 1.10Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å | |
| C40 | H43 | sing | 1.09Å | 1.10Å | |
| C40 | H44 | sing | 1.09Å | 1.10Å | |
| C41 | H45 | sing | 1.09Å | 1.10Å | |
| C41 | H46 | sing | 1.09Å | 1.10Å | |
| C42 | H47 | sing | 1.09Å | 1.10Å | |
| C42 | H48 | sing | 1.09Å | 1.10Å | |
| C44 | H49 | sing | 1.08Å | 1.08Å | |
| C45 | H50 | sing | 1.08Å | 1.08Å | |
| C46 | H51 | sing | 1.09Å | 1.10Å | |
| C46 | H52 | sing | 1.09Å | 1.10Å | |
| O10 | H53 | sing | 0.97Å | 0.95Å | |
| O11 | H54 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | P1 | O11 | 116.1° | 109.5° |
| O9 | P1 | O8 | 106.1° | 109.4° |
| O9 | P1 | O10 | 116.4° | 109.5° |
| C40 | C39 | C38 | 110.1° | 109.1° |
| C39 | C40 | O5 | 111.4° | 109.4° |
| C40 | C39 | H41 | 109.3° | 109.6° |
| C40 | C39 | H42 | 109.3° | 109.5° |
| C39 | C40 | H43 | 109.0° | 109.4° |
| C39 | C40 | H44 | 109.0° | 109.5° |
| C39 | C38 | C37 | 111.7° | 109.5° |
| C39 | C38 | C42 | 109.7° | 109.1° |
| C39 | C38 | H40 | 107.7° | 109.6° |
| C38 | C39 | H41 | 109.3° | 109.5° |
| C38 | C39 | H42 | 109.3° | 109.5° |
| C40 | O5 | C41 | 111.2° | 114.1° |
| O5 | C40 | H43 | 109.0° | 109.4° |
| O5 | C40 | H44 | 109.0° | 109.5° |
| O5 | C41 | C42 | 111.4° | 109.5° |
| O5 | C41 | H45 | 108.9° | 109.5° |
| O5 | C41 | H46 | 109.0° | 109.5° |
| O4 | S1 | C27 | 108.2° | 106.4° |
| O4 | S1 | O3 | 119.6° | 123.1° |
| O4 | S1 | N1 | 107.0° | 106.4° |
| C38 | C37 | N5 | 112.0° | 109.4° |
| C37 | C38 | C42 | 111.7° | 109.5° |
| C38 | C37 | H38 | 108.8° | 109.5° |
| C38 | C37 | H39 | 108.8° | 109.4° |
| C37 | C38 | H40 | 107.9° | 109.5° |
| C37 | N5 | C30 | 126.0° | 120.0° |
| C37 | N5 | H25 | 105.2° | 120.1° |
| N5 | C37 | H38 | 108.8° | 109.5° |
| N5 | C37 | H39 | 108.8° | 109.5° |
| C29 | C28 | C27 | 119.5° | 120.1° |
| C28 | C29 | C30 | 121.7° | 119.9° |
| C29 | C28 | H13 | 120.2° | 120.0° |
| C28 | C29 | H24 | 119.2° | 120.0° |
| C28 | C27 | S1 | 120.1° | 119.9° |
| C28 | C27 | C26 | 121.1° | 120.2° |
| C27 | C28 | H13 | 120.3° | 120.0° |
| C29 | C30 | N5 | 120.3° | 120.1° |
| C29 | C30 | C43 | 116.5° | 119.8° |
| C30 | C29 | H24 | 119.1° | 120.0° |
| O11 | P1 | O8 | 105.3° | 109.5° |
| O11 | P1 | O10 | 105.6° | 109.5° |
| P1 | O11 | H54 | 109.5° | 114.0° |
| C38 | C42 | C41 | 110.5° | 109.1° |
| C42 | C38 | H40 | 107.8° | 109.6° |
| C38 | C42 | H47 | 109.2° | 109.6° |
| C38 | C42 | H48 | 109.2° | 109.6° |
| C42 | C41 | H45 | 109.0° | 109.5° |
| C42 | C41 | H46 | 108.9° | 109.4° |
| C41 | C42 | H47 | 109.2° | 109.6° |
| C41 | C42 | H48 | 109.2° | 109.4° |
| O8 | P1 | O10 | 106.4° | 109.5° |
| P1 | O8 | C46 | 129.8° | 123.0° |
| P1 | O10 | H53 | 109.5° | 114.0° |
| N5 | C30 | C43 | 123.0° | 120.1° |
| C30 | N5 | H25 | 105.2° | 120.0° |
| S1 | C27 | C26 | 118.5° | 119.9° |
| C27 | S1 | O3 | 108.1° | 106.4° |
| C27 | S1 | N1 | 103.8° | 107.2° |
| C27 | C26 | C43 | 119.1° | 120.1° |
| C27 | C26 | H12 | 120.4° | 120.0° |
| C30 | C43 | C26 | 121.9° | 120.0° |
| C30 | C43 | N6 | 122.8° | 120.0° |
| O3 | S1 | N1 | 109.0° | 106.4° |
| S1 | N1 | C7 | 124.3° | 120.0° |
| S1 | N1 | H1 | 117.9° | 120.0° |
| C26 | C43 | N6 | 115.2° | 120.1° |
| C43 | C26 | H12 | 120.4° | 119.9° |
| C43 | N6 | O6 | 119.3° | 120.0° |
| C43 | N6 | O7 | 117.3° | 120.0° |
| O8 | C46 | N4 | 104.7° | 109.5° |
| O8 | C46 | H51 | 110.7° | 109.5° |
| O8 | C46 | H52 | 110.6° | 109.5° |
| O6 | N6 | O7 | 123.3° | 120.0° |
| N1 | C7 | O1 | 121.6° | 120.0° |
| N1 | C7 | C6 | 114.1° | 120.0° |
| C7 | N1 | H1 | 117.8° | 120.0° |
| O1 | C7 | C6 | 123.3° | 120.0° |
| C46 | N4 | C25 | 119.6° | 119.6° |
| C46 | N4 | C24 | 119.0° | 119.6° |
| N4 | C46 | H51 | 110.6° | 109.5° |
| N4 | C46 | H52 | 110.7° | 109.5° |
| C7 | C6 | C1 | 124.5° | 120.1° |
| C7 | C6 | C5 | 117.6° | 120.1° |
| C25 | N4 | C24 | 121.2° | 120.8° |
| N4 | C25 | C21 | 119.2° | 121.5° |
| N4 | C25 | H23 | 120.4° | 119.2° |
| N4 | C24 | N7 | 127.7° | 133.5° |
| N4 | C24 | C23 | 119.5° | 119.3° |
| C25 | C21 | O2 | 116.5° | 119.9° |
| C25 | C21 | C22 | 124.2° | 120.2° |
| C21 | C25 | H23 | 120.4° | 119.3° |
| N7 | C24 | C23 | 112.7° | 107.3° |
| C24 | N7 | C45 | 105.2° | 110.7° |
| C24 | C23 | C22 | 120.2° | 119.5° |
| C24 | C23 | C44 | 102.7° | 105.9° |
| N7 | C45 | C44 | 112.1° | 109.8° |
| N7 | C45 | H50 | 123.9° | 125.1° |
| C21 | O2 | C1 | 120.6° | 118.0° |
| O2 | C21 | C22 | 119.0° | 119.9° |
| O2 | C1 | C6 | 120.2° | 120.2° |
| O2 | C1 | C2 | 117.9° | 120.2° |
| C21 | C22 | C23 | 115.7° | 118.7° |
| C21 | C22 | H11 | 122.1° | 120.6° |
| C22 | C23 | C44 | 137.0° | 134.6° |
| C23 | C22 | H11 | 122.2° | 120.6° |
| C23 | C44 | C45 | 107.2° | 106.3° |
| C23 | C44 | H49 | 126.4° | 126.9° |
| C45 | C44 | H49 | 126.4° | 126.8° |
| C44 | C45 | H50 | 123.9° | 125.1° |
| C1 | C6 | C5 | 117.8° | 119.8° |
| C6 | C1 | C2 | 121.8° | 119.6° |
| C6 | C5 | C4 | 120.9° | 120.1° |
| C6 | C5 | H4 | 119.5° | 119.9° |
| C1 | C2 | C3 | 120.2° | 119.9° |
| C1 | C2 | H14 | 119.9° | 120.0° |
| C5 | C4 | C3 | 120.9° | 120.4° |
| C5 | C4 | H3 | 119.5° | 119.8° |
| C4 | C5 | H4 | 119.5° | 120.0° |
| C2 | C3 | C4 | 118.4° | 120.2° |
| C2 | C3 | N2 | 120.6° | 119.9° |
| C3 | C2 | H14 | 119.9° | 120.1° |
| C4 | C3 | N2 | 120.9° | 119.9° |
| C3 | C4 | H3 | 119.6° | 119.9° |
| C3 | N2 | C11 | 117.2° | 111.0° |
| C3 | N2 | C8 | 118.9° | 111.0° |
| C11 | N2 | C8 | 114.1° | 110.9° |
| N2 | C11 | C10 | 111.2° | 109.4° |
| N2 | C11 | H17 | 109.0° | 109.4° |
| N2 | C11 | H18 | 109.1° | 109.5° |
| N2 | C8 | C9 | 110.8° | 109.4° |
| N2 | C8 | H5 | 109.2° | 109.5° |
| N2 | C8 | H6 | 109.1° | 109.5° |
| C11 | C10 | N3 | 110.7° | 109.4° |
| C11 | C10 | H7 | 109.1° | 109.5° |
| C11 | C10 | H8 | 109.2° | 109.5° |
| C10 | C11 | H17 | 109.1° | 109.5° |
| C10 | C11 | H18 | 109.0° | 109.5° |
| C8 | C9 | N3 | 110.4° | 109.3° |
| C9 | C8 | H5 | 109.1° | 109.5° |
| C9 | C8 | H6 | 109.1° | 109.4° |
| C8 | C9 | H15 | 109.2° | 109.5° |
| C8 | C9 | H16 | 109.2° | 109.4° |
| C10 | N3 | C9 | 109.5° | 110.9° |
| C10 | N3 | C12 | 111.4° | 111.0° |
| N3 | C10 | H7 | 109.2° | 109.5° |
| N3 | C10 | H8 | 109.2° | 109.5° |
| C9 | N3 | C12 | 111.7° | 111.0° |
| N3 | C9 | H15 | 109.2° | 109.5° |
| N3 | C9 | H16 | 109.2° | 109.5° |
| N3 | C12 | C13 | 113.4° | 109.4° |
| N3 | C12 | H19 | 108.5° | 109.5° |
| N3 | C12 | H20 | 108.4° | 109.4° |
| C12 | C13 | C34 | 116.8° | 118.1° |
| C12 | C13 | C14 | 120.7° | 118.1° |
| C13 | C12 | H19 | 108.5° | 109.5° |
| C13 | C12 | H20 | 108.5° | 109.5° |
| C13 | C34 | C33 | 111.9° | 110.0° |
| C34 | C13 | C14 | 122.6° | 123.9° |
| C13 | C34 | H30 | 108.9° | 109.4° |
| C13 | C34 | H31 | 108.9° | 109.3° |
| C34 | C33 | C32 | 114.3° | 108.3° |
| C34 | C33 | H28 | 108.2° | 109.8° |
| C34 | C33 | H29 | 108.3° | 109.7° |
| C33 | C34 | H30 | 108.8° | 109.8° |
| C33 | C34 | H31 | 108.9° | 109.0° |
| C13 | C14 | C15 | 123.5° | 118.1° |
| C13 | C14 | C31 | 122.7° | 123.8° |
| C19 | C20 | C15 | 120.6° | 119.9° |
| C20 | C19 | C18 | 119.1° | 120.1° |
| C19 | C20 | H10 | 119.7° | 120.1° |
| C20 | C19 | H22 | 120.5° | 119.9° |
| C20 | C15 | C14 | 120.8° | 120.1° |
| C20 | C15 | C16 | 118.8° | 119.8° |
| C15 | C20 | H10 | 119.7° | 120.1° |
| C19 | C18 | CL1 | 119.4° | 119.8° |
| C19 | C18 | C17 | 121.5° | 120.3° |
| C18 | C19 | H22 | 120.4° | 120.0° |
| C35 | C32 | C33 | 110.3° | 109.8° |
| C35 | C32 | C31 | 109.6° | 109.6° |
| C35 | C32 | C36 | 109.2° | 109.7° |
| C32 | C35 | H32 | 109.5° | 109.5° |
| C32 | C35 | H33 | 109.4° | 109.5° |
| C32 | C35 | H34 | 109.5° | 109.5° |
| C15 | C14 | C31 | 113.7° | 118.1° |
| C14 | C15 | C16 | 120.4° | 120.1° |
| C14 | C31 | C32 | 116.6° | 110.1° |
| C14 | C31 | H26 | 107.7° | 109.3° |
| C14 | C31 | H27 | 107.7° | 109.4° |
| C15 | C16 | C17 | 120.8° | 119.9° |
| C15 | C16 | H21 | 119.6° | 120.1° |
| C33 | C32 | C31 | 108.3° | 108.5° |
| C33 | C32 | C36 | 110.1° | 109.6° |
| C32 | C33 | H28 | 108.3° | 109.7° |
| C32 | C33 | H29 | 108.2° | 109.6° |
| CL1 | C18 | C17 | 119.1° | 119.9° |
| C18 | C17 | C16 | 119.2° | 120.1° |
| C18 | C17 | H9 | 120.4° | 120.0° |
| C31 | C32 | C36 | 109.4° | 109.6° |
| C32 | C31 | H26 | 107.7° | 109.3° |
| C32 | C31 | H27 | 107.7° | 109.3° |
| C32 | C36 | H35 | 109.5° | 109.5° |
| C32 | C36 | H36 | 109.5° | 109.4° |
| C32 | C36 | H37 | 109.5° | 109.5° |
| C16 | C17 | H9 | 120.4° | 119.9° |
| C17 | C16 | H21 | 119.6° | 120.0° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| H26 | C31 | H27 | 109.4° | 109.4° |
| H28 | C33 | H29 | 109.5° | 109.6° |
| H30 | C34 | H31 | 109.5° | 109.3° |
| H32 | C35 | H33 | 109.5° | 109.5° |
| H32 | C35 | H34 | 109.4° | 109.4° |
| H33 | C35 | H34 | 109.5° | 109.4° |
| H35 | C36 | H36 | 109.5° | 109.5° |
| H35 | C36 | H37 | 109.5° | 109.5° |
| H36 | C36 | H37 | 109.4° | 109.5° |
| H38 | C37 | H39 | 109.5° | 109.5° |
| H41 | C39 | H42 | 109.5° | 109.6° |
| H43 | C40 | H44 | 109.5° | 109.5° |
| H45 | C41 | H46 | 109.5° | 109.4° |
| H47 | C42 | H48 | 109.5° | 109.5° |
| H51 | C46 | H52 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | P1 | O11 | O8 | 117.0° | 119.9° |
| O9 | P1 | O11 | O10 | 130.6° | 120.0° |
| O9 | P1 | O8 | O10 | 124.6° | 120.0° |
| O9 | P1 | O8 | C46 | 150.8° | 55.2° |
| O9 | P1 | O10 | H53 | 0.0° | 65.0° |
| O9 | P1 | O11 | H54 | 0.0° | 180.0° |
| C40 | C39 | C38 | H41 | 120.1° | 119.9° |
| C40 | C39 | C38 | H42 | 120.1° | 119.9° |
| C39 | C40 | O5 | H43 | 120.3° | 119.9° |
| C39 | C40 | O5 | H44 | 120.3° | 120.0° |
| C39 | C40 | O5 | C41 | 60.7° | 61.2° |
| C40 | C39 | C38 | C37 | 177.2° | 176.9° |
| C40 | C39 | C38 | C42 | 52.7° | 57.0° |
| C40 | C39 | C38 | H40 | 64.4° | 63.0° |
| C40 | C39 | H41 | H42 | 119.7° | 120.2° |
| C39 | C40 | H43 | H44 | 119.1° | 120.0° |
| C38 | C39 | C40 | O5 | 56.7° | 57.7° |
| C39 | C38 | C37 | C42 | 123.4° | 119.6° |
| C39 | C38 | C37 | H40 | 118.2° | 120.2° |
| C39 | C38 | C37 | N5 | 177.8° | 175.2° |
| C39 | C38 | C42 | H40 | 117.0° | 120.0° |
| C39 | C38 | C42 | C41 | 52.8° | 56.9° |
| C39 | C38 | C37 | H38 | 61.9° | 64.8° |
| C39 | C38 | C37 | H39 | 57.4° | 55.2° |
| C38 | C39 | H41 | H42 | 119.7° | 120.1° |
| C38 | C39 | C40 | H43 | 177.0° | 177.6° |
| C38 | C39 | C40 | H44 | 63.5° | 62.4° |
| C39 | C38 | C42 | H47 | 172.9° | 176.9° |
| C39 | C38 | C42 | H48 | 67.4° | 62.9° |
| C40 | O5 | C41 | C42 | 60.5° | 61.1° |
| O5 | C40 | C39 | H41 | 176.8° | 62.2° |
| O5 | C40 | C39 | H42 | 63.4° | 177.5° |
| O5 | C40 | H43 | H44 | 119.1° | 120.1° |
| C40 | O5 | C41 | H45 | 179.2° | 178.8° |
| C40 | O5 | C41 | H46 | 59.7° | 58.9° |
| O5 | C41 | C42 | C38 | 56.9° | 57.5° |
| O5 | C41 | C42 | H45 | 120.3° | 120.1° |
| O5 | C41 | C42 | H46 | 120.3° | 120.0° |
| C41 | O5 | C40 | H43 | 179.0° | 178.9° |
| C41 | O5 | C40 | H44 | 59.6° | 58.8° |
| O5 | C41 | H45 | H46 | 119.1° | 120.0° |
| O5 | C41 | C42 | H47 | 177.1° | 177.5° |
| O5 | C41 | C42 | H48 | 63.3° | 62.4° |
| O4 | S1 | C27 | C28 | 27.5° | 156.4° |
| O4 | S1 | C27 | O3 | 130.8° | 132.9° |
| O4 | S1 | C27 | N1 | 113.5° | 113.6° |
| O4 | S1 | C27 | C26 | 158.9° | 23.6° |
| O4 | S1 | O3 | N1 | 123.5° | 123.0° |
| O4 | S1 | N1 | C7 | 69.3° | 48.5° |
| O4 | S1 | N1 | H1 | 110.7° | 131.7° |
| C38 | C37 | N5 | H38 | 120.4° | 120.0° |
| C38 | C37 | N5 | H39 | 120.4° | 120.0° |
| C37 | C38 | C42 | H40 | 118.5° | 120.2° |
| C37 | C38 | C42 | C41 | 177.3° | 176.7° |
| C38 | C37 | N5 | C30 | 169.0° | 180.0° |
| C38 | C37 | N5 | H25 | 68.8° | 0.0° |
| C38 | C37 | H38 | H39 | 118.9° | 120.0° |
| C37 | C38 | C39 | H41 | 62.7° | 56.9° |
| C37 | C38 | C39 | H42 | 57.1° | 63.3° |
| C37 | C38 | C42 | H47 | 62.6° | 63.2° |
| C37 | C38 | C42 | H48 | 57.1° | 57.0° |
| C37 | N5 | C30 | C29 | 7.9° | 6.0° |
| N5 | C37 | C38 | C42 | 54.4° | 65.2° |
| C37 | N5 | C30 | H25 | 122.2° | 180.0° |
| C37 | N5 | C30 | C43 | 168.1° | 174.4° |
| N5 | C37 | H38 | H39 | 118.8° | 120.0° |
| N5 | C37 | C38 | H40 | 64.0° | 55.0° |
| C29 | C28 | C27 | H13 | 180.0° | 179.7° |
| C28 | C29 | C30 | H24 | 180.0° | 179.7° |
| C28 | C29 | C30 | N5 | 178.3° | 180.0° |
| C29 | C28 | C27 | S1 | 171.3° | 180.0° |
| C29 | C28 | C27 | C26 | 2.2° | 0.0° |
| C28 | C29 | C30 | C43 | 2.1° | 0.3° |
| C27 | C28 | C29 | C30 | 0.5° | 0.3° |
| C28 | C27 | S1 | C26 | 173.6° | 180.0° |
| C28 | C27 | S1 | O3 | 158.3° | 23.6° |
| C28 | C27 | S1 | N1 | 86.0° | 90.0° |
| C28 | C27 | C26 | C43 | 1.1° | 0.3° |
| C28 | C27 | C26 | H12 | 178.9° | 180.0° |
| C27 | C28 | C29 | H24 | 179.5° | 180.0° |
| C29 | C30 | N5 | C43 | 176.0° | 179.6° |
| C29 | C30 | C43 | C26 | 3.2° | 0.1° |
| C29 | C30 | C43 | N6 | 173.5° | 180.0° |
| C30 | C29 | C28 | H13 | 179.5° | 180.0° |
| C29 | C30 | N5 | H25 | 130.1° | 174.0° |
| O11 | P1 | O8 | O10 | 111.8° | 120.1° |
| O11 | P1 | O8 | C46 | 85.6° | 64.8° |
| O11 | P1 | O10 | H53 | 130.5° | 55.0° |
| C38 | C42 | C41 | H47 | 120.2° | 120.0° |
| C38 | C42 | C41 | H48 | 120.1° | 119.9° |
| C42 | C38 | C37 | H38 | 174.7° | 54.8° |
| C42 | C38 | C37 | H39 | 66.0° | 174.8° |
| C42 | C38 | C39 | H41 | 172.8° | 63.0° |
| C42 | C38 | C39 | H42 | 67.4° | 176.9° |
| C38 | C42 | C41 | H45 | 177.2° | 177.5° |
| C38 | C42 | C41 | H46 | 63.4° | 62.6° |
| C38 | C42 | H47 | H48 | 119.5° | 120.2° |
| C41 | C42 | C38 | H40 | 64.2° | 63.1° |
| C42 | C41 | H45 | H46 | 119.1° | 119.9° |
| C41 | C42 | H47 | H48 | 119.6° | 120.1° |
| P1 | O8 | C46 | N4 | 120.4° | 175.0° |
| P1 | O8 | C46 | H51 | 120.3° | 65.0° |
| P1 | O8 | C46 | H52 | 1.2° | 55.0° |
| O8 | P1 | O10 | H53 | 118.0° | 175.0° |
| O8 | P1 | O11 | H54 | 117.0° | 60.0° |
| O10 | P1 | O8 | C46 | 26.3° | 175.1° |
| O10 | P1 | O11 | H54 | 130.6° | 60.0° |
| N5 | C30 | C43 | C26 | 179.4° | 179.7° |
| N5 | C30 | C43 | N6 | 2.7° | 0.3° |
| N5 | C30 | C29 | H24 | 1.6° | 0.3° |
| C30 | N5 | C37 | H38 | 48.7° | 60.0° |
| C30 | N5 | C37 | H39 | 70.6° | 60.0° |
| C27 | S1 | O3 | N1 | 112.3° | 114.1° |
| S1 | C27 | C26 | C43 | 172.5° | 179.7° |
| C27 | S1 | N1 | C7 | 176.4° | 65.0° |
| C27 | S1 | N1 | H1 | 3.6° | 114.8° |
| S1 | C27 | C26 | H12 | 7.5° | 0.0° |
| S1 | C27 | C28 | H13 | 8.7° | 0.3° |
| C27 | C26 | C43 | C30 | 1.7° | 0.2° |
| C26 | C27 | S1 | O3 | 28.0° | 156.5° |
| C26 | C27 | S1 | N1 | 87.7° | 90.0° |
| C27 | C26 | C43 | H12 | 180.0° | 179.8° |
| C27 | C26 | C43 | N6 | 175.2° | 179.7° |
| C26 | C27 | C28 | H13 | 177.8° | 179.7° |
| C30 | C43 | C26 | N6 | 176.9° | 180.0° |
| C30 | C43 | N6 | O6 | 0.6° | 37.9° |
| C30 | C43 | N6 | O7 | 176.9° | 142.2° |
| C30 | C43 | C26 | H12 | 178.3° | 180.0° |
| C43 | C30 | C29 | H24 | 177.9° | 180.0° |
| C43 | C30 | N5 | H25 | 45.9° | 5.6° |
| O3 | S1 | N1 | C7 | 61.4° | 178.6° |
| O3 | S1 | N1 | H1 | 118.6° | 1.2° |
| S1 | N1 | C7 | H1 | 180.0° | 179.8° |
| S1 | N1 | C7 | O1 | 2.3° | 0.2° |
| S1 | N1 | C7 | C6 | 171.2° | 179.8° |
| C26 | C43 | N6 | O6 | 176.3° | 142.1° |
| C26 | C43 | N6 | O7 | 6.2° | 37.8° |
| C43 | N6 | O6 | O7 | 177.3° | 179.9° |
| N6 | C43 | C26 | H12 | 4.8° | 0.1° |
| O8 | C46 | N4 | H51 | 119.3° | 120.0° |
| O8 | C46 | N4 | H52 | 119.2° | 120.1° |
| O8 | C46 | N4 | C25 | 73.0° | 77.3° |
| O8 | C46 | N4 | C24 | 112.6° | 103.2° |
| O8 | C46 | H51 | H52 | 122.2° | 120.0° |
| N1 | C7 | O1 | C6 | 167.8° | 180.0° |
| N1 | C7 | C6 | C1 | 37.5° | 179.9° |
| N1 | C7 | C6 | C5 | 139.3° | 0.0° |
| O1 | C7 | C6 | C1 | 153.9° | 0.0° |
| O1 | C7 | C6 | C5 | 29.3° | 180.0° |
| O1 | C7 | N1 | H1 | 177.7° | 180.0° |
| C46 | N4 | C25 | C24 | 174.3° | 179.5° |
| C46 | N4 | C25 | C21 | 173.2° | 180.0° |
| C46 | N4 | C24 | N7 | 2.7° | 0.4° |
| C46 | N4 | C24 | C23 | 173.1° | 179.7° |
| C46 | N4 | C25 | H23 | 6.8° | 0.4° |
| N4 | C46 | H51 | H52 | 122.2° | 120.0° |
| C7 | C6 | C1 | O2 | 8.4° | 0.0° |
| C7 | C6 | C1 | C5 | 176.8° | 180.0° |
| C7 | C6 | C1 | C2 | 175.4° | 180.0° |
| C7 | C6 | C5 | C4 | 175.4° | 180.0° |
| C6 | C7 | N1 | H1 | 8.8° | 0.0° |
| C7 | C6 | C5 | H4 | 4.6° | 0.0° |
| N4 | C25 | C21 | H23 | 180.0° | 179.5° |
| C25 | N4 | C24 | N7 | 177.0° | 179.9° |
| C25 | N4 | C24 | C23 | 1.2° | 0.8° |
| N4 | C25 | C21 | O2 | 174.8° | 179.7° |
| N4 | C25 | C21 | C22 | 0.5° | 0.1° |
| C25 | N4 | C46 | H51 | 167.8° | 162.7° |
| C25 | N4 | C46 | H52 | 46.2° | 42.8° |
| C24 | N4 | C25 | C21 | 1.1° | 0.5° |
| N4 | C24 | N7 | C23 | 176.1° | 179.4° |
| N4 | C24 | N7 | C45 | 176.0° | 179.4° |
| N4 | C24 | C23 | C22 | 0.7° | 0.6° |
| N4 | C24 | C23 | C44 | 176.5° | 179.5° |
| C24 | N4 | C25 | H23 | 178.9° | 180.0° |
| C24 | N4 | C46 | H51 | 6.6° | 16.8° |
| C24 | N4 | C46 | H52 | 128.2° | 136.8° |
| C25 | C21 | O2 | C22 | 174.6° | 179.6° |
| C25 | C21 | O2 | C1 | 152.3° | 4.6° |
| C25 | C21 | C22 | C23 | 0.0° | 0.3° |
| C25 | C21 | C22 | H11 | 180.0° | 179.7° |
| N7 | C24 | C23 | C22 | 177.1° | 180.0° |
| N7 | C24 | C23 | C44 | 0.0° | 0.0° |
| C24 | N7 | C45 | C44 | 0.2° | 0.0° |
| C24 | N7 | C45 | H50 | 179.8° | 180.0° |
| C23 | C24 | N7 | C45 | 0.1° | 0.0° |
| C24 | C23 | C22 | C21 | 0.1° | 0.0° |
| C24 | C23 | C22 | C44 | 175.9° | 179.9° |
| C24 | C23 | C44 | C45 | 0.2° | 0.0° |
| C24 | C23 | C22 | H11 | 179.9° | 180.0° |
| C24 | C23 | C44 | H49 | 179.9° | 180.0° |
| N7 | C45 | C44 | C23 | 0.2° | 0.0° |
| N7 | C45 | C44 | H50 | 180.0° | 180.0° |
| N7 | C45 | C44 | H49 | 179.8° | 180.0° |
| O2 | C21 | C22 | C23 | 174.2° | 179.9° |
| C21 | O2 | C1 | C6 | 114.0° | 87.0° |
| C21 | O2 | C1 | C2 | 69.7° | 93.0° |
| O2 | C21 | C22 | H11 | 5.8° | 0.0° |
| O2 | C21 | C25 | H23 | 5.2° | 0.2° |
| C1 | O2 | C21 | C22 | 33.0° | 175.1° |
| O2 | C1 | C6 | C2 | 176.2° | 180.0° |
| O2 | C1 | C6 | C5 | 174.8° | 180.0° |
| O2 | C1 | C2 | C3 | 176.4° | 180.0° |
| O2 | C1 | C2 | H14 | 3.6° | 0.0° |
| C21 | C22 | C23 | H11 | 180.0° | 180.0° |
| C21 | C22 | C23 | C44 | 175.8° | 179.9° |
| C22 | C21 | C25 | H23 | 179.5° | 179.5° |
| C22 | C23 | C44 | C45 | 176.2° | 179.9° |
| C22 | C23 | C44 | H49 | 3.7° | 0.0° |
| C23 | C44 | C45 | H49 | 180.0° | 180.0° |
| C44 | C23 | C22 | H11 | 4.2° | 0.1° |
| C23 | C44 | C45 | H50 | 179.8° | 180.0° |
| C1 | C6 | C5 | C4 | 1.6° | 0.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C1 | C6 | C5 | H4 | 178.4° | 179.9° |
| C6 | C1 | C2 | H14 | 179.8° | 179.9° |
| C5 | C6 | C1 | C2 | 1.3° | 0.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.4° | 0.0° |
| C6 | C5 | C4 | H3 | 179.5° | 179.7° |
| C1 | C2 | C3 | H14 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.4° | 0.0° |
| C1 | C2 | C3 | N2 | 178.6° | 179.7° |
| C5 | C4 | C3 | C2 | 1.1° | 0.0° |
| C5 | C4 | C3 | H3 | 180.0° | 179.7° |
| C5 | C4 | C3 | N2 | 178.9° | 179.7° |
| C2 | C3 | C4 | N2 | 180.0° | 179.7° |
| C2 | C3 | N2 | C11 | 46.1° | 62.2° |
| C2 | C3 | N2 | C8 | 169.8° | 174.0° |
| C2 | C3 | C4 | H3 | 178.9° | 179.7° |
| C4 | C3 | N2 | C11 | 133.9° | 117.5° |
| C4 | C3 | N2 | C8 | 10.2° | 6.3° |
| C3 | C4 | C5 | H4 | 179.6° | 180.0° |
| C4 | C3 | C2 | H14 | 178.6° | 180.0° |
| C3 | N2 | C11 | C8 | 145.7° | 123.9° |
| C3 | N2 | C11 | C10 | 163.8° | 176.8° |
| C3 | N2 | C8 | C9 | 163.7° | 176.8° |
| N2 | C3 | C4 | H3 | 1.1° | 0.0° |
| C3 | N2 | C8 | H5 | 76.1° | 63.3° |
| C3 | N2 | C8 | H6 | 43.5° | 56.9° |
| N2 | C3 | C2 | H14 | 1.4° | 0.3° |
| C3 | N2 | C11 | H17 | 43.5° | 63.2° |
| C3 | N2 | C11 | H18 | 75.9° | 56.8° |
| N2 | C11 | C10 | H17 | 120.2° | 119.9° |
| N2 | C11 | C10 | H18 | 120.3° | 120.0° |
| C11 | N2 | C8 | C9 | 51.2° | 59.3° |
| N2 | C11 | C10 | N3 | 54.2° | 58.4° |
| C11 | N2 | C8 | H5 | 69.0° | 60.6° |
| C11 | N2 | C8 | H6 | 171.4° | 179.2° |
| N2 | C11 | C10 | H7 | 66.0° | 178.3° |
| N2 | C11 | C10 | H8 | 174.4° | 61.6° |
| N2 | C11 | H17 | H18 | 119.2° | 120.0° |
| C8 | N2 | C11 | C10 | 50.5° | 59.3° |
| N2 | C8 | C9 | H5 | 120.2° | 120.0° |
| N2 | C8 | C9 | H6 | 120.2° | 120.0° |
| N2 | C8 | C9 | N3 | 55.9° | 58.4° |
| N2 | C8 | H5 | H6 | 119.4° | 120.1° |
| N2 | C8 | C9 | H15 | 176.0° | 61.6° |
| N2 | C8 | C9 | H16 | 64.3° | 178.4° |
| C8 | N2 | C11 | H17 | 170.8° | 60.7° |
| C8 | N2 | C11 | H18 | 69.8° | 179.3° |
| C11 | C10 | N3 | H7 | 120.2° | 119.9° |
| C11 | C10 | N3 | H8 | 120.2° | 120.0° |
| C11 | C10 | N3 | C9 | 59.9° | 59.4° |
| C11 | C10 | N3 | C12 | 176.1° | 176.8° |
| C11 | C10 | H7 | H8 | 119.4° | 120.0° |
| C10 | C11 | H17 | H18 | 119.2° | 120.1° |
| C8 | C9 | N3 | C10 | 60.7° | 59.4° |
| C8 | C9 | N3 | H15 | 120.1° | 120.0° |
| C8 | C9 | N3 | H16 | 120.2° | 119.9° |
| C8 | C9 | N3 | C12 | 175.4° | 176.8° |
| C9 | C8 | H5 | H6 | 119.4° | 120.0° |
| C8 | C9 | H15 | H16 | 119.6° | 120.0° |
| C10 | N3 | C9 | C12 | 123.8° | 123.8° |
| C10 | N3 | C12 | C13 | 176.3° | 164.4° |
| N3 | C10 | H7 | H8 | 119.4° | 120.1° |
| C10 | N3 | C9 | H15 | 179.1° | 60.6° |
| C10 | N3 | C9 | H16 | 59.4° | 179.3° |
| N3 | C10 | C11 | H17 | 174.4° | 61.5° |
| N3 | C10 | C11 | H18 | 66.1° | 178.4° |
| C10 | N3 | C12 | H19 | 63.1° | 75.7° |
| C10 | N3 | C12 | H20 | 55.7° | 44.4° |
| C9 | N3 | C12 | C13 | 60.9° | 71.9° |
| N3 | C9 | C8 | H5 | 64.3° | 61.6° |
| N3 | C9 | C8 | H6 | 176.1° | 178.4° |
| C9 | N3 | C10 | H7 | 60.3° | 179.3° |
| C9 | N3 | C10 | H8 | 179.9° | 60.7° |
| N3 | C9 | H15 | H16 | 119.6° | 120.1° |
| C9 | N3 | C12 | H19 | 59.7° | 48.1° |
| C9 | N3 | C12 | H20 | 178.5° | 168.1° |
| N3 | C12 | C13 | H19 | 120.6° | 120.0° |
| N3 | C12 | C13 | H20 | 120.6° | 119.9° |
| N3 | C12 | C13 | C34 | 60.9° | 80.2° |
| N3 | C12 | C13 | C14 | 120.1° | 100.1° |
| C12 | N3 | C10 | H7 | 63.7° | 56.9° |
| C12 | N3 | C10 | H8 | 55.9° | 63.2° |
| C12 | N3 | C9 | H15 | 55.3° | 63.2° |
| C12 | N3 | C9 | H16 | 64.4° | 56.9° |
| N3 | C12 | H19 | H20 | 118.2° | 120.0° |
| C12 | C13 | C34 | C14 | 179.0° | 179.7° |
| C12 | C13 | C34 | C33 | 165.4° | 162.7° |
| C12 | C13 | C14 | C15 | 4.8° | 0.4° |
| C12 | C13 | C14 | C31 | 179.1° | 179.6° |
| C13 | C12 | H19 | H20 | 118.2° | 120.1° |
| C12 | C13 | C34 | H30 | 45.1° | 76.7° |
| C12 | C13 | C34 | H31 | 74.2° | 42.9° |
| C13 | C34 | C33 | H30 | 120.4° | 120.4° |
| C13 | C34 | C33 | H31 | 120.4° | 119.9° |
| C34 | C13 | C14 | C15 | 174.2° | 179.3° |
| C34 | C13 | C14 | C31 | 1.9° | 0.6° |
| C13 | C34 | C33 | C32 | 43.7° | 50.1° |
| C34 | C13 | C12 | H19 | 178.5° | 159.9° |
| C34 | C13 | C12 | H20 | 59.7° | 39.8° |
| C13 | C34 | C33 | H28 | 77.0° | 69.7° |
| C13 | C34 | C33 | H29 | 164.4° | 169.7° |
| C13 | C34 | H30 | H31 | 118.9° | 119.7° |
| C33 | C34 | C13 | C14 | 13.6° | 17.6° |
| C34 | C33 | C32 | C35 | 63.5° | 172.1° |
| C34 | C33 | C32 | H28 | 120.7° | 119.9° |
| C34 | C33 | C32 | H29 | 120.7° | 119.7° |
| C34 | C33 | C32 | C31 | 56.4° | 68.1° |
| C34 | C33 | C32 | C36 | 175.9° | 51.6° |
| C34 | C33 | H28 | H29 | 117.8° | 120.7° |
| C33 | C34 | H30 | H31 | 118.9° | 119.5° |
| C13 | C14 | C15 | C20 | 91.7° | 111.5° |
| C13 | C14 | C15 | C31 | 176.4° | 179.9° |
| C13 | C14 | C15 | C16 | 88.0° | 68.9° |
| C13 | C14 | C31 | C32 | 12.5° | 17.1° |
| C14 | C13 | C12 | H19 | 0.5° | 19.9° |
| C14 | C13 | C12 | H20 | 119.4° | 140.0° |
| C13 | C14 | C31 | H26 | 133.5° | 103.1° |
| C13 | C14 | C31 | H27 | 108.6° | 137.2° |
| C14 | C13 | C34 | H30 | 134.0° | 103.0° |
| C14 | C13 | C34 | H31 | 106.8° | 137.3° |
| C19 | C20 | C15 | H10 | 180.0° | 180.0° |
| C20 | C19 | C18 | H22 | 180.0° | 180.0° |
| C19 | C20 | C15 | C14 | 178.0° | 179.7° |
| C19 | C20 | C15 | C16 | 1.7° | 0.0° |
| C20 | C19 | C18 | CL1 | 179.5° | 180.0° |
| C20 | C19 | C18 | C17 | 0.7° | 0.1° |
| C15 | C20 | C19 | C18 | 0.5° | 0.0° |
| C20 | C15 | C14 | C16 | 179.7° | 179.7° |
| C20 | C15 | C14 | C31 | 92.0° | 68.6° |
| C20 | C15 | C16 | C17 | 1.7° | 0.1° |
| C20 | C15 | C16 | H21 | 178.3° | 180.0° |
| C15 | C20 | C19 | H22 | 179.5° | 180.0° |
| C19 | C18 | CL1 | C17 | 179.8° | 179.9° |
| C19 | C18 | C17 | C16 | 0.7° | 0.1° |
| C19 | C18 | C17 | H9 | 179.3° | 180.0° |
| C18 | C19 | C20 | H10 | 179.5° | 179.9° |
| C35 | C32 | C31 | C14 | 80.4° | 169.6° |
| C35 | C32 | C33 | C31 | 119.9° | 119.8° |
| C35 | C32 | C33 | C36 | 120.6° | 120.5° |
| C35 | C32 | C31 | C36 | 119.7° | 120.4° |
| C35 | C32 | C31 | H26 | 40.6° | 49.4° |
| C35 | C32 | C31 | H27 | 158.5° | 70.3° |
| C35 | C32 | C33 | H28 | 175.8° | 68.0° |
| C35 | C32 | C33 | H29 | 57.2° | 52.4° |
| C32 | C35 | H32 | H33 | 120.0° | 120.0° |
| C32 | C35 | H32 | H34 | 120.0° | 120.0° |
| C32 | C35 | H33 | H34 | 120.0° | 120.0° |
| C35 | C32 | C36 | H35 | 180.0° | 179.6° |
| C35 | C32 | C36 | H36 | 60.0° | 59.6° |
| C35 | C32 | C36 | H37 | 60.0° | 60.4° |
| C15 | C14 | C31 | C32 | 171.1° | 162.9° |
| C14 | C15 | C16 | C17 | 177.9° | 179.8° |
| C14 | C15 | C20 | H10 | 2.0° | 0.2° |
| C14 | C15 | C16 | H21 | 2.1° | 0.3° |
| C15 | C14 | C31 | H26 | 50.1° | 77.0° |
| C15 | C14 | C31 | H27 | 67.8° | 42.8° |
| C31 | C14 | C15 | C16 | 88.4° | 111.1° |
| C14 | C31 | C32 | C33 | 39.9° | 49.6° |
| C14 | C31 | C32 | H26 | 121.1° | 120.1° |
| C14 | C31 | C32 | H27 | 121.1° | 120.2° |
| C14 | C31 | C32 | C36 | 159.9° | 70.0° |
| C14 | C31 | H26 | H27 | 116.7° | 119.8° |
| C15 | C16 | C17 | C18 | 0.6° | 0.1° |
| C15 | C16 | C17 | H21 | 180.0° | 179.9° |
| C15 | C16 | C17 | H9 | 179.5° | 180.0° |
| C16 | C15 | C20 | H10 | 178.3° | 179.9° |
| C33 | C32 | C31 | C36 | 120.0° | 119.7° |
| C33 | C32 | C31 | H26 | 161.0° | 70.5° |
| C33 | C32 | C31 | H27 | 81.2° | 169.8° |
| C32 | C33 | H28 | H29 | 117.8° | 120.4° |
| C32 | C33 | C34 | H30 | 164.1° | 70.3° |
| C32 | C33 | C34 | H31 | 76.6° | 170.0° |
| C33 | C32 | C35 | H32 | 180.0° | 179.1° |
| C33 | C32 | C35 | H33 | 60.0° | 60.9° |
| C33 | C32 | C35 | H34 | 60.0° | 59.1° |
| C33 | C32 | C36 | H35 | 58.8° | 59.0° |
| C33 | C32 | C36 | H36 | 61.2° | 61.0° |
| C33 | C32 | C36 | H37 | 178.8° | 179.0° |
| CL1 | C18 | C17 | C16 | 179.5° | 180.0° |
| CL1 | C18 | C17 | H9 | 0.5° | 0.1° |
| CL1 | C18 | C19 | H22 | 0.5° | 0.0° |
| C18 | C17 | C16 | H9 | 180.0° | 179.9° |
| C18 | C17 | C16 | H21 | 179.4° | 180.0° |
| C17 | C18 | C19 | H22 | 179.3° | 179.9° |
| C32 | C31 | H26 | H27 | 116.7° | 119.6° |
| C31 | C32 | C33 | H28 | 64.3° | 51.8° |
| C31 | C32 | C33 | H29 | 177.1° | 172.2° |
| C31 | C32 | C35 | H32 | 60.9° | 60.0° |
| C31 | C32 | C35 | H33 | 179.1° | 180.0° |
| C31 | C32 | C35 | H34 | 59.1° | 60.0° |
| C31 | C32 | C36 | H35 | 60.1° | 60.0° |
| C31 | C32 | C36 | H36 | 179.9° | 180.0° |
| C31 | C32 | C36 | H37 | 59.9° | 60.0° |
| C36 | C32 | C31 | H26 | 79.0° | 169.8° |
| C36 | C32 | C31 | H27 | 38.9° | 50.1° |
| C36 | C32 | C33 | H28 | 55.2° | 171.4° |
| C36 | C32 | C33 | H29 | 63.4° | 68.1° |
| C36 | C32 | C35 | H32 | 58.9° | 60.4° |
| C36 | C32 | C35 | H33 | 61.2° | 59.6° |
| C36 | C32 | C35 | H34 | 178.9° | 179.6° |
| C32 | C36 | H35 | H36 | 120.0° | 120.0° |
| C32 | C36 | H35 | H37 | 120.0° | 120.0° |
| C32 | C36 | H36 | H37 | 120.0° | 120.0° |
| H3 | C4 | C5 | H4 | 0.5° | 0.3° |
| H5 | C8 | C9 | H15 | 55.8° | 178.5° |
| H5 | C8 | C9 | H16 | 175.5° | 58.4° |
| H6 | C8 | C9 | H15 | 63.8° | 58.4° |
| H6 | C8 | C9 | H16 | 55.9° | 61.6° |
| H7 | C10 | C11 | H17 | 54.2° | 58.4° |
| H7 | C10 | C11 | H18 | 173.7° | 61.7° |
| H8 | C10 | C11 | H17 | 65.4° | 178.5° |
| H8 | C10 | C11 | H18 | 54.1° | 58.3° |
| H9 | C17 | C16 | H21 | 0.5° | 0.1° |
| H10 | C20 | C19 | H22 | 0.5° | 0.1° |
| H13 | C28 | C29 | H24 | 0.5° | 0.3° |
| H25 | N5 | C37 | H38 | 170.9° | 120.0° |
| H25 | N5 | C37 | H39 | 51.6° | 120.0° |
| H28 | C33 | C34 | H30 | 43.4° | 169.9° |
| H28 | C33 | C34 | H31 | 162.6° | 50.2° |
| H29 | C33 | C34 | H30 | 75.2° | 49.3° |
| H29 | C33 | C34 | H31 | 44.1° | 70.4° |
| H32 | C35 | H33 | H34 | 120.0° | 119.9° |
| H35 | C36 | H36 | H37 | 120.0° | 120.0° |
| H38 | C37 | C38 | H40 | 56.3° | 175.0° |
| H39 | C37 | C38 | H40 | 175.6° | 65.0° |
| H40 | C38 | C39 | H41 | 55.7° | 177.1° |
| H40 | C38 | C39 | H42 | 175.5° | 56.9° |
| H40 | C38 | C42 | H47 | 55.9° | 56.9° |
| H40 | C38 | C42 | H48 | 175.6° | 177.1° |
| H41 | C39 | C40 | H43 | 62.8° | 57.7° |
| H41 | C39 | C40 | H44 | 56.6° | 177.7° |
| H42 | C39 | C40 | H43 | 57.0° | 62.6° |
| H42 | C39 | C40 | H44 | 176.4° | 57.5° |
| H45 | C41 | C42 | H47 | 62.7° | 62.5° |
| H45 | C41 | C42 | H48 | 57.0° | 57.6° |
| H46 | C41 | C42 | H47 | 56.7° | 57.4° |
| H46 | C41 | C42 | H48 | 176.4° | 177.6° |
| H49 | C44 | C45 | H50 | 0.2° | 0.0° |
