JVU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C42 | C43 | doub | 1.38Å | 1.38Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C43 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| C41 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.41Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.36Å | 1.37Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.51Å | |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.52Å | |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.42Å | 1.42Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.51Å | 1.51Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | N7 | sing | 1.48Å | 1.46Å | |
| C12 | N4 | sing | 1.47Å | 1.48Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C16 | C25 | doub | 1.36Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C24 | C25 | sing | 1.41Å | 1.42Å | Aromatic |
| C24 | C23 | doub | 1.41Å | 1.42Å | Aromatic |
| N6 | C26 | sing | 1.37Å | 1.33Å | |
| N6 | C14 | sing | 1.48Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C26 | O2 | doub | 1.21Å | 1.23Å | |
| C22 | C23 | sing | 1.36Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| O1 | C32 | doub | 1.21Å | 1.23Å | |
| N7 | C32 | sing | 1.36Å | 1.33Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| C32 | C33 | sing | 1.51Å | 1.54Å | |
| N5 | C13 | sing | 1.36Å | 1.34Å | |
| N5 | C8 | sing | 1.47Å | 1.46Å | |
| C13 | O3 | doub | 1.21Å | 1.23Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| N2 | C2 | doub | 1.30Å | 1.30Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| O4 | C7 | doub | 1.21Å | 1.24Å | |
| C7 | N3 | sing | 1.36Å | 1.33Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C33 | N8 | sing | 1.48Å | 1.46Å | |
| C | N8 | sing | 1.37Å | 1.34Å | |
| C | C1 | sing | 1.51Å | 1.53Å | |
| C2 | N1 | sing | 1.38Å | 1.37Å | |
| C2 | N | sing | 1.37Å | 1.41Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C1 | N | sing | 1.47Å | 1.45Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| N3 | C6 | sing | 1.48Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C35 | C40 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C39 | C38 | sing | 1.53Å | 1.52Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | H17 | sing | 1.01Å | 1.00Å | |
| N4 | H18 | sing | 1.01Å | 1.00Å | |
| N | H20 | sing | 0.97Å | 1.00Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.08Å | 1.08Å | |
| C18 | H31 | sing | 1.08Å | 1.08Å | |
| C20 | H32 | sing | 1.08Å | 1.08Å | |
| C21 | H33 | sing | 1.08Å | 1.08Å | |
| C22 | H34 | sing | 1.08Å | 1.08Å | |
| C23 | H35 | sing | 1.08Å | 1.08Å | |
| C25 | H36 | sing | 1.08Å | 1.08Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.08Å | 1.08Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C37 | H48 | sing | 1.09Å | 1.10Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| C38 | H50 | sing | 1.09Å | 1.10Å | |
| C38 | H51 | sing | 1.09Å | 1.10Å | |
| C39 | H52 | sing | 1.09Å | 1.10Å | |
| C39 | H53 | sing | 1.09Å | 1.10Å | |
| C40 | H54 | sing | 1.09Å | 1.10Å | |
| C40 | H55 | sing | 1.09Å | 1.10Å | |
| C41 | H56 | sing | 1.08Å | 1.08Å | |
| C42 | H57 | sing | 1.08Å | 1.08Å | |
| C43 | H58 | sing | 1.08Å | 1.08Å | |
| N5 | H59 | sing | 0.97Å | 1.00Å | |
| N6 | H60 | sing | 0.97Å | 1.00Å | |
| N7 | H61 | sing | 0.97Å | 1.00Å | |
| N8 | H62 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C43 | C42 | C41 | 120.3° | 119.9° |
| C42 | C43 | C28 | 120.7° | 120.0° |
| C43 | C42 | H57 | 119.9° | 120.0° |
| C42 | C43 | H58 | 119.6° | 120.0° |
| C42 | C41 | C30 | 120.1° | 120.1° |
| C42 | C41 | H56 | 119.9° | 120.0° |
| C41 | C42 | H57 | 119.8° | 120.1° |
| C43 | C28 | C27 | 121.3° | 119.8° |
| C43 | C28 | C29 | 118.3° | 120.1° |
| C28 | C43 | H58 | 119.7° | 120.0° |
| C17 | C18 | C19 | 121.0° | 119.6° |
| C18 | C17 | C16 | 121.3° | 121.0° |
| C18 | C17 | H30 | 119.4° | 119.4° |
| C17 | C18 | H31 | 119.5° | 120.2° |
| C18 | C19 | C20 | 123.1° | 121.2° |
| C18 | C19 | C24 | 118.4° | 119.4° |
| C19 | C18 | H31 | 119.5° | 120.2° |
| C41 | C30 | C29 | 118.9° | 119.9° |
| C41 | C30 | C31 | 121.4° | 119.9° |
| C30 | C41 | H56 | 119.9° | 120.0° |
| C19 | C20 | C21 | 120.7° | 119.6° |
| C20 | C19 | C24 | 118.5° | 119.4° |
| C19 | C20 | H32 | 119.6° | 120.2° |
| C20 | C21 | C22 | 120.6° | 121.0° |
| C21 | C20 | H32 | 119.6° | 120.2° |
| C20 | C21 | H33 | 119.7° | 119.5° |
| C27 | C28 | C29 | 120.4° | 120.2° |
| C28 | C27 | C26 | 113.5° | 108.9° |
| C28 | C27 | H37 | 108.5° | 109.6° |
| C28 | C27 | H38 | 108.5° | 109.6° |
| C28 | C29 | C30 | 121.7° | 120.0° |
| C28 | C29 | H39 | 119.2° | 120.0° |
| C27 | C26 | N6 | 114.9° | 118.5° |
| C27 | C26 | O2 | 121.9° | 120.7° |
| C26 | C27 | H37 | 108.5° | 109.5° |
| C26 | C27 | H38 | 108.5° | 109.6° |
| C17 | C16 | C25 | 118.9° | 121.0° |
| C17 | C16 | C15 | 120.8° | 119.5° |
| C16 | C17 | H30 | 119.3° | 119.6° |
| C19 | C24 | C25 | 118.6° | 119.3° |
| C19 | C24 | C23 | 118.9° | 119.4° |
| C29 | C30 | C31 | 119.7° | 120.1° |
| C30 | C29 | H39 | 119.2° | 120.0° |
| C30 | C31 | N7 | 109.7° | 108.9° |
| C30 | C31 | H40 | 109.4° | 109.6° |
| C30 | C31 | H41 | 109.4° | 109.5° |
| C21 | C22 | C23 | 120.6° | 121.0° |
| C22 | C21 | H33 | 119.7° | 119.4° |
| C21 | C22 | H34 | 119.7° | 119.6° |
| C31 | N7 | C32 | 123.2° | 116.6° |
| N7 | C31 | H40 | 109.4° | 109.6° |
| N7 | C31 | H41 | 109.4° | 109.6° |
| C31 | N7 | H61 | 118.4° | 121.7° |
| N4 | C12 | C11 | 114.5° | 109.5° |
| C12 | N4 | H17 | 109.5° | 111.0° |
| C12 | N4 | H18 | 109.5° | 111.0° |
| N4 | C12 | H25 | 108.2° | 109.5° |
| N4 | C12 | H26 | 108.2° | 109.5° |
| C12 | C11 | C10 | 110.1° | 109.4° |
| C12 | C11 | H23 | 109.3° | 109.4° |
| C12 | C11 | H24 | 109.3° | 109.5° |
| C11 | C12 | H25 | 108.2° | 109.5° |
| C11 | C12 | H26 | 108.2° | 109.4° |
| C25 | C16 | C15 | 120.3° | 119.5° |
| C16 | C25 | C24 | 121.8° | 119.7° |
| C16 | C25 | H36 | 119.1° | 120.2° |
| C16 | C15 | C14 | 114.2° | 109.4° |
| C16 | C15 | H28 | 108.3° | 109.5° |
| C16 | C15 | H29 | 108.3° | 109.5° |
| C25 | C24 | C23 | 122.5° | 121.3° |
| C24 | C25 | H36 | 119.1° | 120.2° |
| C24 | C23 | C22 | 120.7° | 119.7° |
| C24 | C23 | H35 | 119.7° | 120.1° |
| C26 | N6 | C14 | 123.4° | 115.4° |
| N6 | C26 | O2 | 123.3° | 120.8° |
| C26 | N6 | H60 | 118.3° | 122.3° |
| N6 | C14 | C15 | 109.8° | 109.7° |
| N6 | C14 | C13 | 110.9° | 108.7° |
| N6 | C14 | H27 | 109.7° | 109.6° |
| C14 | N6 | H60 | 118.3° | 122.3° |
| C11 | C10 | C9 | 114.6° | 109.4° |
| C11 | C10 | H21 | 108.2° | 109.5° |
| C11 | C10 | H22 | 108.2° | 109.5° |
| C10 | C11 | H23 | 109.3° | 109.5° |
| C10 | C11 | H24 | 109.3° | 109.5° |
| C10 | C9 | C8 | 113.2° | 109.4° |
| C10 | C9 | H5 | 108.5° | 109.5° |
| C10 | C9 | H6 | 108.5° | 109.5° |
| C9 | C10 | H21 | 108.2° | 109.5° |
| C9 | C10 | H22 | 108.2° | 109.5° |
| C23 | C22 | H34 | 119.7° | 119.5° |
| C22 | C23 | H35 | 119.7° | 120.2° |
| C15 | C14 | C13 | 109.4° | 109.6° |
| C15 | C14 | H27 | 108.4° | 109.6° |
| C14 | C15 | H28 | 108.3° | 109.5° |
| C14 | C15 | H29 | 108.3° | 109.5° |
| O1 | C32 | N7 | 122.4° | 120.4° |
| O1 | C32 | C33 | 121.5° | 120.4° |
| N7 | C32 | C33 | 116.0° | 119.2° |
| C32 | N7 | H61 | 118.4° | 121.7° |
| C9 | C8 | N5 | 111.4° | 109.5° |
| C9 | C8 | C7 | 111.1° | 109.5° |
| C9 | C8 | H3 | 108.1° | 109.5° |
| C8 | C9 | H5 | 108.5° | 109.5° |
| C8 | C9 | H6 | 108.5° | 109.5° |
| C14 | C13 | N5 | 116.5° | 118.7° |
| C14 | C13 | O3 | 120.2° | 120.6° |
| C13 | C14 | H27 | 108.6° | 109.6° |
| C32 | C33 | C34 | 105.3° | 109.7° |
| C32 | C33 | N8 | 109.5° | 108.3° |
| C32 | C33 | H42 | 110.2° | 109.7° |
| C13 | N5 | C8 | 124.1° | 116.5° |
| N5 | C13 | O3 | 123.3° | 120.7° |
| C13 | N5 | H59 | 118.0° | 121.7° |
| N5 | C8 | C7 | 109.1° | 109.3° |
| N5 | C8 | H3 | 109.0° | 109.5° |
| C8 | N5 | H59 | 117.9° | 121.8° |
| C8 | C7 | O4 | 121.1° | 120.6° |
| C8 | C7 | N3 | 115.8° | 118.7° |
| C7 | C8 | H3 | 108.1° | 109.5° |
| N2 | C2 | N1 | 128.0° | 120.0° |
| N2 | C2 | N | 120.7° | 120.0° |
| C2 | N2 | H4 | 112.0° | 120.0° |
| O | C | N8 | 123.8° | 120.9° |
| O | C | C1 | 119.7° | 120.8° |
| O4 | C7 | N3 | 123.1° | 120.7° |
| C7 | N3 | C6 | 122.8° | 116.6° |
| C7 | N3 | H12 | 118.6° | 121.7° |
| C34 | C33 | N8 | 110.1° | 109.7° |
| C33 | C34 | C35 | 118.4° | 109.5° |
| C34 | C33 | H42 | 110.2° | 109.7° |
| C33 | C34 | H43 | 107.2° | 109.5° |
| C33 | C34 | H44 | 107.2° | 109.5° |
| C33 | N8 | C | 122.6° | 115.6° |
| N8 | C33 | H42 | 111.4° | 109.7° |
| C33 | N8 | H62 | 118.8° | 122.2° |
| N8 | C | C1 | 116.5° | 118.3° |
| C | N8 | H62 | 118.7° | 122.2° |
| C | C1 | N | 110.6° | 109.4° |
| C | C1 | C3 | 110.4° | 109.5° |
| C | C1 | H7 | 108.7° | 109.4° |
| N1 | C2 | N | 111.3° | 120.0° |
| C2 | N1 | H1 | 120.0° | 120.0° |
| C2 | N1 | H2 | 120.0° | 120.0° |
| C2 | N | C1 | 123.0° | 120.1° |
| C2 | N | H20 | 118.5° | 120.0° |
| C34 | C35 | C36 | 117.0° | 109.4° |
| C34 | C35 | C40 | 115.5° | 109.5° |
| C35 | C34 | H43 | 107.2° | 109.4° |
| C35 | C34 | H44 | 107.2° | 109.5° |
| C34 | C35 | H45 | 104.1° | 109.4° |
| N | C1 | C3 | 108.7° | 109.5° |
| N | C1 | H7 | 109.7° | 109.4° |
| C1 | N | H20 | 118.5° | 120.0° |
| C1 | C3 | C4 | 115.4° | 109.5° |
| C3 | C1 | H7 | 108.7° | 109.5° |
| C1 | C3 | H15 | 107.9° | 109.5° |
| C1 | C3 | H16 | 108.0° | 109.5° |
| N3 | C6 | C5 | 111.7° | 108.9° |
| N3 | C6 | H10 | 108.9° | 109.6° |
| N3 | C6 | H11 | 108.9° | 109.6° |
| C6 | N3 | H12 | 118.5° | 121.7° |
| C3 | C4 | C5 | 112.2° | 109.5° |
| C3 | C4 | H13 | 108.8° | 109.4° |
| C3 | C4 | H14 | 108.8° | 109.5° |
| C4 | C3 | H15 | 108.0° | 109.5° |
| C4 | C3 | H16 | 107.9° | 109.4° |
| C4 | C5 | C6 | 115.8° | 109.7° |
| C4 | C5 | H8 | 107.9° | 109.4° |
| C4 | C5 | H9 | 107.9° | 109.4° |
| C5 | C4 | H13 | 108.8° | 109.4° |
| C5 | C4 | H14 | 108.8° | 109.5° |
| C36 | C35 | C40 | 110.1° | 109.5° |
| C35 | C36 | C37 | 111.8° | 109.4° |
| C36 | C35 | H45 | 104.3° | 109.5° |
| C35 | C36 | H46 | 108.9° | 109.5° |
| C35 | C36 | H47 | 108.9° | 109.4° |
| C35 | C40 | C39 | 112.0° | 109.5° |
| C40 | C35 | H45 | 104.2° | 109.5° |
| C35 | C40 | H54 | 108.8° | 109.5° |
| C35 | C40 | H55 | 108.8° | 109.5° |
| C6 | C5 | H8 | 107.9° | 109.5° |
| C6 | C5 | H9 | 107.9° | 109.4° |
| C5 | C6 | H10 | 108.9° | 109.5° |
| C5 | C6 | H11 | 108.9° | 109.6° |
| C36 | C37 | C38 | 112.0° | 109.5° |
| C37 | C36 | H46 | 108.9° | 109.5° |
| C37 | C36 | H47 | 108.9° | 109.4° |
| C36 | C37 | H48 | 108.8° | 109.5° |
| C36 | C37 | H49 | 108.8° | 109.5° |
| C40 | C39 | C38 | 111.5° | 109.5° |
| C40 | C39 | H52 | 109.0° | 109.5° |
| C40 | C39 | H53 | 109.0° | 109.4° |
| C39 | C40 | H54 | 108.8° | 109.5° |
| C39 | C40 | H55 | 108.8° | 109.4° |
| C37 | C38 | C39 | 110.8° | 109.5° |
| C38 | C37 | H48 | 108.8° | 109.5° |
| C38 | C37 | H49 | 108.8° | 109.4° |
| C37 | C38 | H50 | 109.1° | 109.4° |
| C37 | C38 | H51 | 109.1° | 109.5° |
| C39 | C38 | H50 | 109.2° | 109.5° |
| C39 | C38 | H51 | 109.1° | 109.5° |
| C38 | C39 | H52 | 109.0° | 109.5° |
| C38 | C39 | H53 | 109.0° | 109.5° |
| H1 | N1 | H2 | 120.0° | 120.0° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.4° | 109.4° |
| H10 | C6 | H11 | 109.4° | 109.7° |
| H13 | C4 | H14 | 109.5° | 109.5° |
| H15 | C3 | H16 | 109.5° | 109.5° |
| H17 | N4 | H18 | 109.5° | 110.9° |
| H21 | C10 | H22 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.5° | 109.5° |
| H25 | C12 | H26 | 109.5° | 109.5° |
| H28 | C15 | H29 | 109.5° | 109.5° |
| H37 | C27 | H38 | 109.4° | 109.6° |
| H40 | C31 | H41 | 109.5° | 109.7° |
| H43 | C34 | H44 | 109.5° | 109.4° |
| H46 | C36 | H47 | 109.5° | 109.5° |
| H48 | C37 | H49 | 109.5° | 109.4° |
| H50 | C38 | H51 | 109.5° | 109.5° |
| H52 | C39 | H53 | 109.4° | 109.5° |
| H54 | C40 | H55 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C43 | C42 | C41 | H57 | 180.0° | 180.0° |
| C42 | C43 | C28 | H58 | 180.0° | 180.0° |
| C43 | C42 | C41 | C30 | 0.4° | 0.5° |
| C42 | C43 | C28 | C27 | 178.0° | 179.6° |
| C42 | C43 | C28 | C29 | 0.1° | 0.3° |
| C43 | C42 | C41 | H56 | 179.6° | 179.5° |
| C41 | C42 | C43 | C28 | 0.2° | 0.2° |
| C42 | C41 | C30 | H56 | 180.0° | 180.0° |
| C42 | C41 | C30 | C29 | 0.4° | 0.3° |
| C42 | C41 | C30 | C31 | 179.6° | 179.6° |
| C41 | C42 | C43 | H58 | 179.8° | 179.8° |
| C43 | C28 | C27 | C29 | 178.0° | 179.9° |
| C43 | C28 | C27 | C26 | 81.0° | 83.6° |
| C43 | C28 | C29 | C30 | 0.1° | 0.5° |
| C43 | C28 | C27 | H37 | 39.6° | 36.2° |
| C43 | C28 | C27 | H38 | 158.4° | 156.5° |
| C43 | C28 | C29 | H39 | 179.8° | 179.4° |
| C28 | C43 | C42 | H57 | 179.8° | 179.7° |
| C17 | C18 | C19 | H31 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 176.6° | 179.9° |
| C18 | C17 | C16 | H30 | 180.0° | 180.0° |
| C17 | C18 | C19 | C24 | 2.2° | 0.0° |
| C18 | C17 | C16 | C25 | 2.3° | 0.0° |
| C18 | C17 | C16 | C15 | 176.2° | 179.7° |
| C18 | C19 | C20 | C24 | 178.8° | 180.0° |
| C18 | C19 | C20 | C21 | 178.2° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C19 | C24 | C25 | 2.0° | 0.0° |
| C18 | C19 | C24 | C23 | 179.5° | 180.0° |
| C19 | C18 | C17 | H30 | 179.9° | 180.0° |
| C18 | C19 | C20 | H32 | 1.8° | 0.1° |
| C41 | C30 | C29 | C28 | 0.1° | 0.2° |
| C41 | C30 | C29 | C31 | 179.9° | 179.9° |
| C41 | C30 | C31 | N7 | 109.4° | 94.8° |
| C41 | C30 | C29 | H39 | 179.9° | 179.7° |
| C41 | C30 | C31 | H40 | 130.6° | 25.1° |
| C41 | C30 | C31 | H41 | 10.7° | 145.5° |
| C30 | C41 | C42 | H57 | 179.6° | 179.5° |
| C19 | C20 | C21 | H32 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.9° | 0.0° |
| C20 | C19 | C24 | C25 | 176.9° | 179.9° |
| C20 | C19 | C24 | C23 | 0.6° | 0.1° |
| C20 | C19 | C18 | H31 | 3.4° | 0.0° |
| C19 | C20 | C21 | H33 | 179.1° | 180.0° |
| C21 | C20 | C19 | C24 | 0.7° | 0.0° |
| C20 | C21 | C22 | H33 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C20 | C21 | C22 | H34 | 179.7° | 180.0° |
| C28 | C27 | C26 | H37 | 120.6° | 119.8° |
| C28 | C27 | C26 | H38 | 120.6° | 119.9° |
| C27 | C28 | C29 | C30 | 177.9° | 179.4° |
| C28 | C27 | C26 | N6 | 163.3° | 147.3° |
| C28 | C27 | C26 | O2 | 18.0° | 32.6° |
| C28 | C27 | H37 | H38 | 118.2° | 120.3° |
| C27 | C28 | C29 | H39 | 2.1° | 0.7° |
| C27 | C28 | C43 | H58 | 2.0° | 0.4° |
| C29 | C28 | C27 | C26 | 101.0° | 96.3° |
| C28 | C29 | C30 | H39 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 179.8° | 179.9° |
| C29 | C28 | C27 | H37 | 138.4° | 143.9° |
| C29 | C28 | C27 | H38 | 19.7° | 23.6° |
| C29 | C28 | C43 | H58 | 179.9° | 179.7° |
| C27 | C26 | N6 | O2 | 178.6° | 179.9° |
| C27 | C26 | N6 | C14 | 171.3° | 179.8° |
| C26 | C27 | H37 | H38 | 118.1° | 120.2° |
| C27 | C26 | N6 | H60 | 8.7° | 0.2° |
| C17 | C16 | C25 | C15 | 178.6° | 179.7° |
| C17 | C16 | C25 | C24 | 2.6° | 0.0° |
| C17 | C16 | C15 | C14 | 59.8° | 132.5° |
| C17 | C16 | C15 | H28 | 179.5° | 107.5° |
| C17 | C16 | C15 | H29 | 60.8° | 12.6° |
| C16 | C17 | C18 | H31 | 179.9° | 180.0° |
| C17 | C16 | C25 | H36 | 177.4° | 179.8° |
| C19 | C24 | C25 | C16 | 0.4° | 0.0° |
| C19 | C24 | C25 | C23 | 177.5° | 180.0° |
| C19 | C24 | C23 | C22 | 1.8° | 0.1° |
| C24 | C19 | C18 | H31 | 177.8° | 180.0° |
| C24 | C19 | C20 | H32 | 179.3° | 180.0° |
| C19 | C24 | C23 | H35 | 178.2° | 180.0° |
| C19 | C24 | C25 | H36 | 179.6° | 179.7° |
| C29 | C30 | C31 | N7 | 70.5° | 85.4° |
| C29 | C30 | C31 | H40 | 49.5° | 154.7° |
| C29 | C30 | C31 | H41 | 169.4° | 34.4° |
| C29 | C30 | C41 | H56 | 179.7° | 179.8° |
| C30 | C31 | N7 | H40 | 120.0° | 119.8° |
| C30 | C31 | N7 | H41 | 120.1° | 119.8° |
| C30 | C31 | N7 | C32 | 131.8° | 152.7° |
| C31 | C30 | C29 | H39 | 0.1° | 0.2° |
| C30 | C31 | H40 | H41 | 119.9° | 120.2° |
| C31 | C30 | C41 | H56 | 0.4° | 0.4° |
| C30 | C31 | N7 | H61 | 48.2° | 27.3° |
| C21 | C22 | C23 | C24 | 1.7° | 0.1° |
| C21 | C22 | C23 | H34 | 180.0° | 179.9° |
| C22 | C21 | C20 | H32 | 179.1° | 179.9° |
| C21 | C22 | C23 | H35 | 178.3° | 180.0° |
| C31 | N7 | C32 | O1 | 2.5° | 1.3° |
| C31 | N7 | C32 | H61 | 180.0° | 180.0° |
| C31 | N7 | C32 | C33 | 179.8° | 178.6° |
| N7 | C31 | H40 | H41 | 119.8° | 120.3° |
| N4 | C12 | C11 | H25 | 120.7° | 120.0° |
| N4 | C12 | C11 | H26 | 120.8° | 120.0° |
| N4 | C12 | C11 | C10 | 167.0° | 180.0° |
| C12 | N4 | H17 | H18 | 120.0° | 123.9° |
| N4 | C12 | C11 | H23 | 73.0° | 60.0° |
| N4 | C12 | C11 | H24 | 46.9° | 60.0° |
| N4 | C12 | H25 | H26 | 117.7° | 120.0° |
| C12 | C11 | C10 | H23 | 120.1° | 119.9° |
| C12 | C11 | C10 | H24 | 120.1° | 120.0° |
| C12 | C11 | C10 | C9 | 177.1° | 180.0° |
| C11 | C12 | N4 | H17 | 180.0° | 180.0° |
| C11 | C12 | N4 | H18 | 60.0° | 56.1° |
| C12 | C11 | C10 | H21 | 62.1° | 60.0° |
| C12 | C11 | C10 | H22 | 56.4° | 60.0° |
| C12 | C11 | H23 | H24 | 119.7° | 120.0° |
| C11 | C12 | H25 | H26 | 117.7° | 120.0° |
| C16 | C25 | C24 | H36 | 180.0° | 179.8° |
| C16 | C25 | C24 | C23 | 177.1° | 180.0° |
| C25 | C16 | C15 | C14 | 118.7° | 47.2° |
| C25 | C16 | C15 | H28 | 2.0° | 72.8° |
| C25 | C16 | C15 | H29 | 120.6° | 167.2° |
| C25 | C16 | C17 | H30 | 177.7° | 180.0° |
| C15 | C16 | C25 | C24 | 176.0° | 179.7° |
| C16 | C15 | C14 | N6 | 75.0° | 179.8° |
| C16 | C15 | C14 | H28 | 120.7° | 120.0° |
| C16 | C15 | C14 | H29 | 120.7° | 120.0° |
| C16 | C15 | C14 | C13 | 163.0° | 60.5° |
| C16 | C15 | C14 | H27 | 44.7° | 59.8° |
| C16 | C15 | H28 | H29 | 117.9° | 120.0° |
| C15 | C16 | C17 | H30 | 3.8° | 0.3° |
| C15 | C16 | C25 | H36 | 4.0° | 0.0° |
| C25 | C24 | C23 | C22 | 175.7° | 179.9° |
| C25 | C24 | C23 | H35 | 4.4° | 0.0° |
| C24 | C23 | C22 | H35 | 180.0° | 179.9° |
| C24 | C23 | C22 | H34 | 178.3° | 180.0° |
| C23 | C24 | C25 | H36 | 3.0° | 0.3° |
| C26 | N6 | C14 | H60 | 180.0° | 180.0° |
| C26 | N6 | C14 | C15 | 130.0° | 30.7° |
| C26 | N6 | C14 | C13 | 109.0° | 150.5° |
| C26 | N6 | C14 | H27 | 11.0° | 89.7° |
| N6 | C26 | C27 | H37 | 42.7° | 92.9° |
| N6 | C26 | C27 | H38 | 76.0° | 27.4° |
| C14 | N6 | C26 | O2 | 10.1° | 0.1° |
| N6 | C14 | C15 | C13 | 121.9° | 119.3° |
| N6 | C14 | C15 | H27 | 119.8° | 120.3° |
| N6 | C14 | C13 | H27 | 120.6° | 119.8° |
| N6 | C14 | C13 | N5 | 1.9° | 144.7° |
| N6 | C14 | C13 | O3 | 178.4° | 35.3° |
| N6 | C14 | C15 | H28 | 164.3° | 60.2° |
| N6 | C14 | C15 | H29 | 45.7° | 59.8° |
| C11 | C10 | C9 | H21 | 120.7° | 120.0° |
| C11 | C10 | C9 | H22 | 120.8° | 120.0° |
| C11 | C10 | C9 | C8 | 69.4° | 180.0° |
| C11 | C10 | C9 | H5 | 51.1° | 60.0° |
| C11 | C10 | C9 | H6 | 170.1° | 60.0° |
| C11 | C10 | H21 | H22 | 117.6° | 120.0° |
| C10 | C11 | H23 | H24 | 119.7° | 120.1° |
| C10 | C11 | C12 | H25 | 46.2° | 60.0° |
| C10 | C11 | C12 | H26 | 72.3° | 60.0° |
| C10 | C9 | C8 | H5 | 120.5° | 120.0° |
| C10 | C9 | C8 | H6 | 120.5° | 120.0° |
| C10 | C9 | C8 | N5 | 53.6° | 65.1° |
| C10 | C9 | C8 | C7 | 175.5° | 175.0° |
| C10 | C9 | C8 | H3 | 66.1° | 54.9° |
| C10 | C9 | H5 | H6 | 118.3° | 120.0° |
| C9 | C10 | H21 | H22 | 117.7° | 120.0° |
| C9 | C10 | C11 | H23 | 57.1° | 60.0° |
| C9 | C10 | C11 | H24 | 62.8° | 60.0° |
| O2 | C26 | C27 | H37 | 138.6° | 87.2° |
| O2 | C26 | C27 | H38 | 102.6° | 152.5° |
| O2 | C26 | N6 | H60 | 169.9° | 179.9° |
| C23 | C22 | C21 | H33 | 179.7° | 179.9° |
| C15 | C14 | C13 | H27 | 118.2° | 120.3° |
| C15 | C14 | C13 | N5 | 119.4° | 24.7° |
| C15 | C14 | C13 | O3 | 60.4° | 155.2° |
| C14 | C15 | H28 | H29 | 117.8° | 120.0° |
| C15 | C14 | N6 | H60 | 50.0° | 149.3° |
| O1 | C32 | N7 | C33 | 177.4° | 179.9° |
| O1 | C32 | C33 | C34 | 107.5° | 71.8° |
| O1 | C32 | C33 | N8 | 134.3° | 47.9° |
| O1 | C32 | C33 | H42 | 11.4° | 167.6° |
| O1 | C32 | N7 | H61 | 177.6° | 178.7° |
| N7 | C32 | C33 | C34 | 69.9° | 108.3° |
| N7 | C32 | C33 | N8 | 48.3° | 132.1° |
| C32 | N7 | C31 | H40 | 11.7° | 87.5° |
| C32 | N7 | C31 | H41 | 108.2° | 32.9° |
| N7 | C32 | C33 | H42 | 171.2° | 12.3° |
| C9 | C8 | N5 | C13 | 120.3° | 130.8° |
| C9 | C8 | N5 | C7 | 123.1° | 120.0° |
| C9 | C8 | N5 | H3 | 119.2° | 120.1° |
| C9 | C8 | C7 | H3 | 118.4° | 120.0° |
| C9 | C8 | C7 | O4 | 46.6° | 171.9° |
| C9 | C8 | C7 | N3 | 135.1° | 8.4° |
| C8 | C9 | H5 | H6 | 118.3° | 120.0° |
| C8 | C9 | C10 | H21 | 169.9° | 60.0° |
| C8 | C9 | C10 | H22 | 51.4° | 60.0° |
| C9 | C8 | N5 | H59 | 59.7° | 49.3° |
| C14 | C13 | N5 | O3 | 179.7° | 179.9° |
| C14 | C13 | N5 | C8 | 171.0° | 178.3° |
| C13 | C14 | C15 | H28 | 42.3° | 179.5° |
| C13 | C14 | C15 | H29 | 76.3° | 59.5° |
| C14 | C13 | N5 | H59 | 9.0° | 1.7° |
| C13 | C14 | N6 | H60 | 71.0° | 29.5° |
| C32 | C33 | C34 | N8 | 117.9° | 118.8° |
| C32 | C33 | C34 | H42 | 118.9° | 120.6° |
| C32 | C33 | N8 | H42 | 122.1° | 119.7° |
| C32 | C33 | N8 | C | 50.4° | 157.9° |
| C32 | C33 | C34 | C35 | 158.5° | 175.0° |
| C32 | C33 | C34 | H43 | 37.3° | 55.0° |
| C32 | C33 | C34 | H44 | 80.2° | 65.0° |
| C33 | C32 | N7 | H61 | 0.2° | 1.4° |
| C32 | C33 | N8 | H62 | 129.6° | 22.0° |
| C13 | N5 | C8 | H59 | 180.0° | 180.0° |
| C13 | N5 | C8 | C7 | 116.6° | 109.2° |
| C13 | N5 | C8 | H3 | 1.1° | 10.7° |
| N5 | C13 | C14 | H27 | 122.5° | 95.6° |
| C8 | N5 | C13 | O3 | 8.7° | 1.8° |
| N5 | C8 | C7 | H3 | 118.3° | 120.0° |
| N5 | C8 | C7 | O4 | 76.7° | 68.1° |
| N5 | C8 | C7 | N3 | 101.6° | 111.6° |
| N5 | C8 | C9 | H5 | 174.1° | 54.9° |
| N5 | C8 | C9 | H6 | 66.9° | 174.8° |
| O3 | C13 | C14 | H27 | 57.8° | 84.5° |
| O3 | C13 | N5 | H59 | 171.3° | 178.2° |
| C8 | C7 | O4 | N3 | 178.2° | 179.7° |
| C8 | C7 | N3 | C6 | 173.9° | 177.6° |
| C7 | C8 | C9 | H5 | 64.0° | 65.0° |
| C7 | C8 | C9 | H6 | 55.0° | 54.9° |
| C8 | C7 | N3 | H12 | 6.2° | 2.4° |
| C7 | C8 | N5 | H59 | 63.4° | 70.7° |
| N2 | C2 | N1 | N | 178.7° | 179.9° |
| N2 | C2 | N | C1 | 13.4° | 0.0° |
| N2 | C2 | N1 | H1 | 178.7° | 0.0° |
| N2 | C2 | N1 | H2 | 1.3° | 179.7° |
| N2 | C2 | N | H20 | 166.6° | 180.0° |
| O | C | N8 | C33 | 0.8° | 0.1° |
| O | C | N8 | C1 | 178.9° | 179.9° |
| O | C | C1 | N | 157.0° | 94.4° |
| O | C | C1 | C3 | 82.7° | 25.6° |
| O | C | C1 | H7 | 36.5° | 145.7° |
| O | C | N8 | H62 | 179.2° | 179.8° |
| O4 | C7 | N3 | C6 | 4.4° | 2.7° |
| O4 | C7 | C8 | H3 | 165.0° | 51.8° |
| O4 | C7 | N3 | H12 | 175.6° | 177.3° |
| C7 | N3 | C6 | H12 | 180.0° | 180.0° |
| C7 | N3 | C6 | C5 | 96.1° | 47.3° |
| N3 | C7 | C8 | H3 | 16.7° | 128.4° |
| C7 | N3 | C6 | H10 | 143.6° | 167.1° |
| C7 | N3 | C6 | H11 | 24.2° | 72.5° |
| C34 | C33 | N8 | H42 | 122.6° | 120.6° |
| C34 | C33 | N8 | C | 165.7° | 82.4° |
| C33 | C34 | C35 | H43 | 121.3° | 120.0° |
| C33 | C34 | C35 | H44 | 121.3° | 120.0° |
| C33 | C34 | C35 | C36 | 28.6° | 175.0° |
| C33 | C34 | C35 | C40 | 103.4° | 65.0° |
| C33 | C34 | H43 | H44 | 116.0° | 120.0° |
| C33 | C34 | C35 | H45 | 143.0° | 55.1° |
| C34 | C33 | N8 | H62 | 14.3° | 97.6° |
| C33 | N8 | C | H62 | 180.0° | 179.9° |
| C33 | N8 | C | C1 | 179.6° | 179.9° |
| N8 | C33 | C34 | C35 | 83.6° | 66.2° |
| N8 | C33 | C34 | H43 | 155.2° | 173.8° |
| N8 | C33 | C34 | H44 | 37.7° | 53.9° |
| N8 | C | C1 | N | 21.9° | 85.7° |
| N8 | C | C1 | C3 | 98.4° | 154.3° |
| N8 | C | C1 | H7 | 142.4° | 34.3° |
| C | N8 | C33 | H42 | 71.7° | 38.2° |
| C | C1 | N | C2 | 78.3° | 85.0° |
| C | C1 | N | C3 | 121.3° | 120.1° |
| C | C1 | N | H7 | 119.9° | 119.9° |
| C | C1 | C3 | H7 | 119.2° | 120.0° |
| C | C1 | C3 | C4 | 65.3° | 118.4° |
| C | C1 | C3 | H15 | 55.5° | 1.6° |
| C | C1 | C3 | H16 | 173.8° | 121.6° |
| C | C1 | N | H20 | 101.7° | 95.1° |
| C1 | C | N8 | H62 | 0.3° | 0.1° |
| N1 | C2 | N | C1 | 167.8° | 180.0° |
| C2 | N1 | H1 | H2 | 180.0° | 179.8° |
| N1 | C2 | N2 | H4 | 178.5° | 180.0° |
| N1 | C2 | N | H20 | 12.2° | 0.0° |
| C2 | N | C1 | H20 | 180.0° | 180.0° |
| C2 | N | C1 | C3 | 160.4° | 155.0° |
| N | C2 | N1 | H1 | 0.0° | 180.0° |
| N | C2 | N1 | H2 | 180.0° | 0.2° |
| N | C2 | N2 | H4 | 0.0° | 0.1° |
| C2 | N | C1 | H7 | 41.6° | 35.0° |
| C34 | C35 | C36 | C40 | 134.4° | 120.0° |
| C34 | C35 | C36 | H45 | 114.3° | 119.9° |
| C34 | C35 | C40 | H45 | 113.5° | 120.0° |
| C34 | C35 | C36 | C37 | 172.9° | 180.0° |
| C34 | C35 | C40 | C39 | 159.4° | 180.0° |
| C35 | C34 | C33 | H42 | 39.7° | 54.4° |
| C35 | C34 | H43 | H44 | 116.0° | 120.0° |
| C34 | C35 | C36 | H46 | 52.6° | 60.0° |
| C34 | C35 | C36 | H47 | 66.8° | 60.0° |
| C34 | C35 | C40 | H54 | 39.1° | 60.0° |
| C34 | C35 | C40 | H55 | 80.2° | 60.0° |
| N | C1 | C3 | H7 | 119.4° | 120.0° |
| N | C1 | C3 | C4 | 173.2° | 121.6° |
| N | C1 | C3 | H15 | 65.9° | 118.4° |
| N | C1 | C3 | H16 | 52.3° | 1.6° |
| C1 | C3 | C4 | H15 | 120.9° | 120.0° |
| C1 | C3 | C4 | H16 | 120.9° | 120.0° |
| C1 | C3 | C4 | C5 | 177.4° | 121.1° |
| C1 | C3 | C4 | H13 | 57.0° | 1.2° |
| C1 | C3 | C4 | H14 | 62.2° | 118.8° |
| C1 | C3 | H15 | H16 | 117.3° | 120.0° |
| C3 | C1 | N | H20 | 19.6° | 25.0° |
| N3 | C6 | C5 | C4 | 59.5° | 150.3° |
| N3 | C6 | C5 | H10 | 120.4° | 119.8° |
| N3 | C6 | C5 | H11 | 120.4° | 119.9° |
| N3 | C6 | C5 | H8 | 179.6° | 89.6° |
| N3 | C6 | C5 | H9 | 61.4° | 30.2° |
| N3 | C6 | H10 | H11 | 119.0° | 120.3° |
| C3 | C4 | C5 | H13 | 120.4° | 120.0° |
| C3 | C4 | C5 | H14 | 120.4° | 120.0° |
| C3 | C4 | C5 | C6 | 170.0° | 132.0° |
| C4 | C3 | C1 | H7 | 53.8° | 1.6° |
| C3 | C4 | C5 | H8 | 69.1° | 11.9° |
| C3 | C4 | C5 | H9 | 49.1° | 107.9° |
| C3 | C4 | H13 | H14 | 118.8° | 120.0° |
| C4 | C3 | H15 | H16 | 117.3° | 120.0° |
| C4 | C5 | C6 | H8 | 120.9° | 120.1° |
| C4 | C5 | C6 | H9 | 120.9° | 120.1° |
| C4 | C5 | H8 | H9 | 117.1° | 119.9° |
| C4 | C5 | C6 | H10 | 179.9° | 89.9° |
| C4 | C5 | C6 | H11 | 60.8° | 30.4° |
| C5 | C4 | H13 | H14 | 118.8° | 120.0° |
| C5 | C4 | C3 | H15 | 61.7° | 1.1° |
| C5 | C4 | C3 | H16 | 56.5° | 118.9° |
| C36 | C35 | C40 | H45 | 111.3° | 120.1° |
| C35 | C36 | C37 | H46 | 120.3° | 120.0° |
| C35 | C36 | C37 | H47 | 120.4° | 119.9° |
| C36 | C35 | C40 | C39 | 65.4° | 60.0° |
| C35 | C36 | C37 | C38 | 22.4° | 60.0° |
| C36 | C35 | C34 | H43 | 92.7° | 65.0° |
| C36 | C35 | C34 | H44 | 149.9° | 55.0° |
| C35 | C36 | H46 | H47 | 119.0° | 120.0° |
| C35 | C36 | C37 | H48 | 98.0° | 180.0° |
| C35 | C36 | C37 | H49 | 142.8° | 60.0° |
| C36 | C35 | C40 | H54 | 174.2° | 179.9° |
| C36 | C35 | C40 | H55 | 55.0° | 59.9° |
| C40 | C35 | C36 | C37 | 38.5° | 60.0° |
| C35 | C40 | C39 | H54 | 120.3° | 120.0° |
| C35 | C40 | C39 | H55 | 120.4° | 120.1° |
| C35 | C40 | C39 | C38 | 25.3° | 60.0° |
| C40 | C35 | C34 | H43 | 135.3° | 55.0° |
| C40 | C35 | C34 | H44 | 17.9° | 175.0° |
| C40 | C35 | C36 | H46 | 81.9° | 60.0° |
| C40 | C35 | C36 | H47 | 158.8° | 180.0° |
| C35 | C40 | C39 | H52 | 95.1° | 180.0° |
| C35 | C40 | C39 | H53 | 145.6° | 60.0° |
| C35 | C40 | H54 | H55 | 118.9° | 120.1° |
| C6 | C5 | H8 | H9 | 117.1° | 119.8° |
| C5 | C6 | H10 | H11 | 119.0° | 120.3° |
| C5 | C6 | N3 | H12 | 83.9° | 132.6° |
| C6 | C5 | C4 | H13 | 49.6° | 108.0° |
| C6 | C5 | C4 | H14 | 69.6° | 12.0° |
| C36 | C37 | C38 | H48 | 120.4° | 120.0° |
| C36 | C37 | C38 | H49 | 120.4° | 120.1° |
| C36 | C37 | C38 | C39 | 62.3° | 60.0° |
| C37 | C36 | C35 | H45 | 72.8° | 60.0° |
| C37 | C36 | H46 | H47 | 118.9° | 120.0° |
| C36 | C37 | H48 | H49 | 118.8° | 120.1° |
| C36 | C37 | C38 | H50 | 177.5° | 59.9° |
| C36 | C37 | C38 | H51 | 58.0° | 180.0° |
| C40 | C39 | C38 | C37 | 35.8° | 60.0° |
| C40 | C39 | C38 | H52 | 120.3° | 120.0° |
| C40 | C39 | C38 | H53 | 120.3° | 120.0° |
| C39 | C40 | C35 | H45 | 45.9° | 60.0° |
| C40 | C39 | C38 | H50 | 156.0° | 60.0° |
| C40 | C39 | C38 | H51 | 84.4° | 180.0° |
| C40 | C39 | H52 | H53 | 119.1° | 120.0° |
| C39 | C40 | H54 | H55 | 118.9° | 119.9° |
| C37 | C38 | C39 | H50 | 120.2° | 119.9° |
| C37 | C38 | C39 | H51 | 120.2° | 120.0° |
| C38 | C37 | C36 | H46 | 142.7° | 60.0° |
| C38 | C37 | C36 | H47 | 98.0° | 179.9° |
| C38 | C37 | H48 | H49 | 118.8° | 119.9° |
| C37 | C38 | H50 | H51 | 119.3° | 120.0° |
| C37 | C38 | C39 | H52 | 156.1° | 179.9° |
| C37 | C38 | C39 | H53 | 84.5° | 60.0° |
| C39 | C38 | C37 | H48 | 58.1° | 180.0° |
| C39 | C38 | C37 | H49 | 177.4° | 60.1° |
| C39 | C38 | H50 | H51 | 119.4° | 120.0° |
| C38 | C39 | H52 | H53 | 119.1° | 120.1° |
| C38 | C39 | C40 | H54 | 145.6° | 180.0° |
| C38 | C39 | C40 | H55 | 95.1° | 60.0° |
| H3 | C8 | C9 | H5 | 54.5° | 174.9° |
| H3 | C8 | C9 | H6 | 173.4° | 65.1° |
| H3 | C8 | N5 | H59 | 178.9° | 169.3° |
| H5 | C9 | C10 | H21 | 69.6° | 180.0° |
| H5 | C9 | C10 | H22 | 171.9° | 60.0° |
| H6 | C9 | C10 | H21 | 49.3° | 60.0° |
| H6 | C9 | C10 | H22 | 69.1° | 180.0° |
| H7 | C1 | C3 | H15 | 174.7° | 121.6° |
| H7 | C1 | C3 | H16 | 67.0° | 118.4° |
| H7 | C1 | N | H20 | 138.4° | 145.0° |
| H8 | C5 | C6 | H10 | 59.2° | 30.2° |
| H8 | C5 | C6 | H11 | 60.1° | 150.5° |
| H8 | C5 | C4 | H13 | 170.5° | 131.9° |
| H8 | C5 | C4 | H14 | 51.3° | 108.1° |
| H9 | C5 | C6 | H10 | 58.9° | 150.0° |
| H9 | C5 | C6 | H11 | 178.2° | 89.7° |
| H9 | C5 | C4 | H13 | 71.4° | 12.0° |
| H9 | C5 | C4 | H14 | 169.5° | 132.1° |
| H10 | C6 | N3 | H12 | 36.4° | 12.8° |
| H11 | C6 | N3 | H12 | 155.7° | 107.5° |
| H13 | C4 | C3 | H15 | 177.9° | 118.9° |
| H13 | C4 | C3 | H16 | 63.9° | 121.2° |
| H14 | C4 | C3 | H15 | 58.7° | 121.1° |
| H14 | C4 | C3 | H16 | 176.9° | 1.2° |
| H17 | N4 | C12 | H25 | 59.2° | 60.0° |
| H17 | N4 | C12 | H26 | 59.3° | 60.1° |
| H18 | N4 | C12 | H25 | 60.8° | 63.9° |
| H18 | N4 | C12 | H26 | 179.3° | 176.0° |
| H21 | C10 | C11 | H23 | 177.8° | 180.0° |
| H21 | C10 | C11 | H24 | 58.0° | 60.0° |
| H22 | C10 | C11 | H23 | 63.7° | 60.0° |
| H22 | C10 | C11 | H24 | 176.4° | 180.0° |
| H23 | C11 | C12 | H25 | 166.3° | 60.0° |
| H23 | C11 | C12 | H26 | 47.8° | 180.0° |
| H24 | C11 | C12 | H25 | 73.8° | 180.0° |
| H24 | C11 | C12 | H26 | 167.7° | 60.0° |
| H27 | C14 | C15 | H28 | 76.0° | 60.2° |
| H27 | C14 | C15 | H29 | 165.4° | 179.8° |
| H27 | C14 | N6 | H60 | 169.0° | 90.3° |
| H30 | C17 | C18 | H31 | 0.0° | 0.0° |
| H32 | C20 | C21 | H33 | 0.8° | 0.0° |
| H33 | C21 | C22 | H34 | 0.3° | 0.0° |
| H34 | C22 | C23 | H35 | 1.7° | 0.1° |
| H40 | C31 | N7 | H61 | 168.2° | 92.5° |
| H41 | C31 | N7 | H61 | 71.9° | 147.1° |
| H42 | C33 | C34 | H43 | 81.6° | 65.6° |
| H42 | C33 | C34 | H44 | 160.9° | 174.5° |
| H42 | C33 | N8 | H62 | 108.3° | 141.8° |
| H43 | C34 | C35 | H45 | 21.7° | 175.1° |
| H44 | C34 | C35 | H45 | 95.7° | 65.0° |
| H45 | C35 | C36 | H46 | 166.9° | 180.0° |
| H45 | C35 | C36 | H47 | 47.5° | 59.9° |
| H45 | C35 | C40 | H54 | 74.4° | 60.0° |
| H45 | C35 | C40 | H55 | 166.3° | 180.0° |
| H46 | C36 | C37 | H48 | 22.3° | 60.0° |
| H46 | C36 | C37 | H49 | 96.9° | 180.0° |
| H47 | C36 | C37 | H48 | 141.7° | 60.1° |
| H47 | C36 | C37 | H49 | 22.4° | 59.9° |
| H48 | C37 | C38 | H50 | 62.1° | 60.1° |
| H48 | C37 | C38 | H51 | 178.3° | 59.9° |
| H49 | C37 | C38 | H50 | 57.1° | NaN° |
| H49 | C37 | C38 | H51 | 62.4° | 60.0° |
| H50 | C38 | C39 | H52 | 83.7° | 60.0° |
| H50 | C38 | C39 | H53 | 35.7° | 179.9° |
| H51 | C38 | C39 | H52 | 35.9° | 60.0° |
| H51 | C38 | C39 | H53 | 155.3° | 60.0° |
| H52 | C39 | C40 | H54 | 25.3° | 60.0° |
| H52 | C39 | C40 | H55 | 144.6° | 59.9° |
| H53 | C39 | C40 | H54 | 94.1° | 60.0° |
| H53 | C39 | C40 | H55 | 25.2° | 179.9° |
| H56 | C41 | C42 | H57 | 0.4° | 0.5° |
| H57 | C42 | C43 | H58 | 0.2° | 0.3° |
