9ZQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C44 | C17 | sing | 1.51Å | 1.52Å | |
| C17 | C16 | doub | 1.36Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C39 | C18 | sing | 1.51Å | 1.53Å | |
| C18 | C14 | doub | 1.36Å | 1.42Å | Aromatic |
| C15 | N3 | doub | 1.33Å | 1.39Å | Aromatic |
| C15 | C13 | sing | 1.46Å | 1.40Å | Aromatic |
| N3 | C6 | sing | 1.32Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C13 | N4 | doub | 1.33Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C5 | doub | 1.47Å | 1.43Å | Aromatic |
| C6 | C7 | sing | 1.42Å | 1.42Å | Aromatic |
| C5 | C1 | sing | 1.41Å | 1.42Å | Aromatic |
| N4 | C7 | sing | 1.32Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.47Å | 1.42Å | Aromatic |
| C2 | N2 | doub | 1.33Å | 1.39Å | Aromatic |
| C1 | N2 | sing | 1.32Å | 1.41Å | Aromatic |
| C1 | C10 | doub | 1.44Å | 1.39Å | Aromatic |
| N2 | RU | sing | 2.04Å | 1.85Å | |
| C8 | C10 | sing | 1.41Å | 1.44Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | N1 | sing | 1.31Å | 1.37Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.42Å | Aromatic |
| C20 | N5 | sing | 1.32Å | 1.33Å | Aromatic |
| C21 | C43 | sing | 1.37Å | 1.40Å | Aromatic |
| C9 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | doub | 1.39Å | 1.43Å | Aromatic |
| C37 | C41 | sing | 1.37Å | 1.41Å | Aromatic |
| C38 | N12 | sing | 1.32Å | 1.35Å | Aromatic |
| C41 | C35 | doub | 1.40Å | 1.40Å | Aromatic |
| N5 | RU | sing | 2.04Å | 1.95Å | |
| N5 | C19 | doub | 1.31Å | 1.36Å | Aromatic |
| C35 | C36 | sing | 1.41Å | 1.43Å | Aromatic |
| C35 | C34 | sing | 1.41Å | 1.42Å | Aromatic |
| N12 | RU | sing | 2.03Å | 1.94Å | |
| N12 | C36 | doub | 1.31Å | 1.37Å | Aromatic |
| RU | N1 | sing | 2.03Å | 1.95Å | |
| RU | N9 | sing | 2.03Å | 1.95Å | |
| RU | N8 | sing | 2.03Å | 1.87Å | |
| N1 | C12 | doub | 1.33Å | 1.35Å | Aromatic |
| C36 | C29 | sing | 1.44Å | 1.41Å | Aromatic |
| C34 | C33 | doub | 1.35Å | 1.40Å | Aromatic |
| C43 | C22 | doub | 1.40Å | 1.36Å | Aromatic |
| C29 | N9 | doub | 1.32Å | 1.37Å | Aromatic |
| C29 | C32 | sing | 1.42Å | 1.44Å | Aromatic |
| N9 | C30 | sing | 1.32Å | 1.33Å | Aromatic |
| C33 | C32 | sing | 1.41Å | 1.43Å | Aromatic |
| C32 | C40 | doub | 1.40Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.43Å | Aromatic |
| C40 | C31 | sing | 1.37Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.43Å | Aromatic |
| C19 | C22 | sing | 1.42Å | 1.45Å | Aromatic |
| C19 | C26 | sing | 1.44Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.41Å | 1.40Å | Aromatic |
| N8 | C26 | doub | 1.31Å | 1.44Å | Aromatic |
| N8 | C28 | sing | 1.32Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.42Å | 1.44Å | Aromatic |
| C23 | C24 | doub | 1.35Å | 1.38Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.41Å | 1.45Å | Aromatic |
| C25 | C42 | doub | 1.40Å | 1.39Å | Aromatic |
| C27 | C42 | sing | 1.37Å | 1.45Å | Aromatic |
| C37 | H1 | sing | 1.08Å | 1.08Å | |
| C38 | H2 | sing | 1.08Å | 1.08Å | |
| C41 | H3 | sing | 1.08Å | 1.08Å | |
| C34 | H4 | sing | 1.08Å | 1.08Å | |
| C33 | H5 | sing | 1.08Å | 1.08Å | |
| C40 | H6 | sing | 1.08Å | 1.08Å | |
| C31 | H7 | sing | 1.08Å | 1.08Å | |
| C30 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C27 | H13 | sing | 1.08Å | 1.08Å | |
| C42 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C43 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C2 | H20 | sing | 1.08Å | 1.08Å | |
| C3 | H21 | sing | 1.08Å | 1.08Å | |
| C4 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | H23 | sing | 1.08Å | 1.08Å | |
| C14 | H24 | sing | 1.08Å | 1.08Å | |
| C39 | H25 | sing | 1.09Å | 1.10Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C44 | H28 | sing | 1.09Å | 1.10Å | |
| C44 | H29 | sing | 1.09Å | 1.10Å | |
| C44 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C44 | C17 | C16 | 119.9° | 119.3° |
| C44 | C17 | C18 | 121.0° | 119.2° |
| C17 | C44 | H28 | 109.5° | 109.5° |
| C17 | C44 | H29 | 109.5° | 109.5° |
| C17 | C44 | H30 | 109.5° | 109.5° |
| C16 | C17 | C18 | 119.2° | 121.5° |
| C17 | C16 | C15 | 121.4° | 119.8° |
| C17 | C16 | H23 | 119.3° | 120.0° |
| C17 | C18 | C39 | 121.6° | 119.3° |
| C17 | C18 | C14 | 119.2° | 121.3° |
| C16 | C15 | N3 | 121.3° | 121.7° |
| C16 | C15 | C13 | 119.6° | 118.8° |
| C15 | C16 | H23 | 119.3° | 120.3° |
| C39 | C18 | C14 | 119.2° | 119.4° |
| C18 | C39 | H25 | 109.5° | 109.5° |
| C18 | C39 | H26 | 109.5° | 109.5° |
| C18 | C39 | H27 | 109.5° | 109.5° |
| C18 | C14 | C13 | 121.8° | 119.9° |
| C18 | C14 | H24 | 119.1° | 120.0° |
| N3 | C15 | C13 | 119.2° | 119.5° |
| C15 | N3 | C6 | 122.2° | 119.9° |
| C15 | C13 | C14 | 118.8° | 118.7° |
| C15 | C13 | N4 | 119.2° | 119.4° |
| N3 | C6 | C5 | 121.2° | 120.1° |
| N3 | C6 | C7 | 119.2° | 120.5° |
| C14 | C13 | N4 | 121.9° | 122.0° |
| C13 | C14 | H24 | 119.1° | 120.0° |
| C13 | N4 | C7 | 121.2° | 119.8° |
| C3 | C4 | C5 | 118.4° | 118.3° |
| C4 | C3 | C2 | 121.3° | 119.5° |
| C4 | C3 | H21 | 119.3° | 120.4° |
| C3 | C4 | H22 | 120.8° | 120.8° |
| C4 | C5 | C6 | 121.0° | 121.0° |
| C4 | C5 | C1 | 117.7° | 118.8° |
| C5 | C4 | H22 | 120.8° | 120.8° |
| C3 | C2 | N2 | 123.2° | 121.4° |
| C3 | C2 | H20 | 118.4° | 119.3° |
| C2 | C3 | H21 | 119.3° | 120.1° |
| C5 | C6 | C7 | 119.6° | 119.4° |
| C6 | C5 | C1 | 121.3° | 120.1° |
| C6 | C7 | N4 | 119.0° | 120.8° |
| C6 | C7 | C8 | 117.8° | 119.4° |
| C5 | C1 | N2 | 125.8° | 120.5° |
| C5 | C1 | C10 | 119.9° | 120.2° |
| N4 | C7 | C8 | 123.1° | 119.7° |
| C7 | C8 | C10 | 122.5° | 120.0° |
| C7 | C8 | C9 | 121.6° | 120.7° |
| C2 | N2 | C1 | 113.6° | 121.2° |
| C2 | N2 | RU | 131.5° | 130.4° |
| N2 | C2 | H20 | 118.4° | 119.2° |
| N2 | C1 | C10 | 114.2° | 119.3° |
| C1 | N2 | RU | 114.8° | 108.4° |
| C1 | C10 | C8 | 118.8° | 120.3° |
| C1 | C10 | N1 | 114.1° | 119.3° |
| N2 | RU | N5 | 93.1° | 88.5° |
| N2 | RU | N12 | 94.7° | 92.7° |
| N2 | RU | N1 | 83.5° | 84.3° |
| N2 | RU | N9 | 88.4° | 95.3° |
| N2 | RU | N8 | 178.4° | 171.4° |
| C10 | C8 | C9 | 115.9° | 119.3° |
| C8 | C10 | N1 | 127.0° | 120.3° |
| C8 | C9 | C11 | 118.4° | 118.0° |
| C8 | C9 | H11 | 120.8° | 120.9° |
| C10 | N1 | RU | 113.2° | 108.6° |
| C10 | N1 | C12 | 114.7° | 121.0° |
| C21 | C20 | N5 | 122.7° | 121.6° |
| C20 | C21 | C43 | 120.9° | 120.0° |
| C20 | C21 | H18 | 119.6° | 119.8° |
| C21 | C20 | H19 | 118.7° | 119.3° |
| C20 | N5 | RU | 131.5° | 130.6° |
| C20 | N5 | C19 | 115.4° | 120.6° |
| N5 | C20 | H19 | 118.6° | 119.1° |
| C21 | C43 | C22 | 118.1° | 118.0° |
| C21 | C43 | H17 | 120.9° | 121.0° |
| C43 | C21 | H18 | 119.5° | 120.2° |
| C9 | C11 | C12 | 121.3° | 119.4° |
| C9 | C11 | H10 | 119.3° | 120.4° |
| C11 | C9 | H11 | 120.8° | 121.1° |
| C38 | C37 | C41 | 120.6° | 120.0° |
| C37 | C38 | N12 | 123.2° | 121.5° |
| C38 | C37 | H1 | 119.7° | 119.9° |
| C37 | C38 | H2 | 118.4° | 119.3° |
| C37 | C41 | C35 | 117.4° | 118.2° |
| C41 | C37 | H1 | 119.7° | 120.2° |
| C37 | C41 | H3 | 121.3° | 121.0° |
| C38 | N12 | RU | 132.1° | 130.7° |
| C38 | N12 | C36 | 115.1° | 120.7° |
| N12 | C38 | H2 | 118.4° | 119.2° |
| C41 | C35 | C36 | 117.7° | 118.3° |
| C41 | C35 | C34 | 119.3° | 121.9° |
| C35 | C41 | H3 | 121.3° | 120.9° |
| RU | N5 | C19 | 112.0° | 108.7° |
| N5 | RU | N12 | 93.7° | 91.3° |
| N5 | RU | N1 | 88.2° | 89.1° |
| N5 | RU | N9 | 177.6° | 174.3° |
| N5 | RU | N8 | 85.4° | 83.9° |
| N5 | C19 | C22 | 125.5° | 121.4° |
| N5 | C19 | C26 | 115.2° | 119.3° |
| C36 | C35 | C34 | 123.0° | 119.8° |
| C35 | C36 | N12 | 125.8° | 121.4° |
| C35 | C36 | C29 | 118.6° | 119.2° |
| C35 | C34 | C33 | 118.7° | 121.1° |
| C35 | C34 | H4 | 120.6° | 119.4° |
| RU | N12 | C36 | 112.1° | 108.6° |
| N12 | RU | N1 | 177.5° | 177.0° |
| N12 | RU | N9 | 84.4° | 84.2° |
| N12 | RU | N8 | 85.9° | 91.3° |
| N12 | C36 | C29 | 115.7° | 119.4° |
| N1 | RU | N9 | 93.8° | 95.5° |
| N1 | RU | N8 | 95.9° | 91.7° |
| RU | N1 | C12 | 132.0° | 130.5° |
| N9 | RU | N8 | 93.2° | 92.6° |
| RU | N9 | C29 | 111.4° | 108.4° |
| RU | N9 | C30 | 132.1° | 131.7° |
| RU | N8 | C26 | 111.4° | 108.7° |
| RU | N8 | C28 | 136.4° | 131.0° |
| N1 | C12 | C11 | 122.2° | 121.8° |
| N1 | C12 | H9 | 118.9° | 119.1° |
| C36 | C29 | N9 | 116.4° | 119.3° |
| C36 | C29 | C32 | 117.9° | 118.8° |
| C34 | C33 | C32 | 118.8° | 120.9° |
| C33 | C34 | H4 | 120.7° | 119.4° |
| C34 | C33 | H5 | 120.6° | 119.5° |
| C43 | C22 | C19 | 117.1° | 118.4° |
| C43 | C22 | C23 | 121.0° | 121.9° |
| C22 | C43 | H17 | 120.9° | 121.0° |
| N9 | C29 | C32 | 125.8° | 121.9° |
| C29 | N9 | C30 | 116.3° | 119.9° |
| C29 | C32 | C33 | 123.0° | 120.1° |
| C29 | C32 | C40 | 116.8° | 118.2° |
| N9 | C30 | C31 | 120.9° | 122.0° |
| N9 | C30 | H8 | 119.6° | 119.0° |
| C33 | C32 | C40 | 120.1° | 121.6° |
| C32 | C33 | H5 | 120.6° | 119.6° |
| C32 | C40 | C31 | 117.7° | 118.0° |
| C32 | C40 | H6 | 121.2° | 121.0° |
| C30 | C31 | C40 | 122.3° | 120.0° |
| C30 | C31 | H7 | 118.8° | 119.8° |
| C31 | C30 | H8 | 119.5° | 119.0° |
| C31 | C40 | H6 | 121.1° | 121.1° |
| C40 | C31 | H7 | 118.8° | 120.1° |
| C11 | C12 | H9 | 118.9° | 119.2° |
| C12 | C11 | H10 | 119.3° | 120.2° |
| C22 | C19 | C26 | 119.2° | 119.3° |
| C19 | C22 | C23 | 121.9° | 119.7° |
| C19 | C26 | N8 | 115.1° | 119.4° |
| C19 | C26 | C25 | 117.7° | 118.9° |
| C22 | C23 | C24 | 120.3° | 121.0° |
| C22 | C23 | H16 | 119.9° | 119.5° |
| C26 | N8 | C28 | 111.9° | 120.3° |
| N8 | C26 | C25 | 127.2° | 121.7° |
| N8 | C28 | C27 | 123.3° | 121.5° |
| N8 | C28 | H12 | 118.4° | 119.3° |
| C26 | C25 | C24 | 122.5° | 119.8° |
| C26 | C25 | C42 | 118.3° | 118.2° |
| C23 | C24 | C25 | 118.4° | 121.3° |
| C23 | C24 | H15 | 120.8° | 119.2° |
| C24 | C23 | H16 | 119.9° | 119.5° |
| C28 | C27 | C42 | 122.9° | 120.2° |
| C27 | C28 | H12 | 118.3° | 119.2° |
| C28 | C27 | H13 | 118.5° | 119.7° |
| C24 | C25 | C42 | 119.2° | 122.0° |
| C25 | C24 | H15 | 120.8° | 119.5° |
| C25 | C42 | C27 | 116.3° | 118.1° |
| C25 | C42 | H14 | 121.9° | 120.9° |
| C42 | C27 | H13 | 118.6° | 120.0° |
| C27 | C42 | H14 | 121.9° | 121.0° |
| H25 | C39 | H26 | 109.4° | 109.5° |
| H25 | C39 | H27 | 109.5° | 109.5° |
| H26 | C39 | H27 | 109.4° | 109.4° |
| H28 | C44 | H29 | 109.4° | 109.4° |
| H28 | C44 | H30 | 109.5° | 109.4° |
| H29 | C44 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C44 | C17 | C16 | C18 | 180.0° | 179.6° |
| C44 | C17 | C16 | C15 | 178.2° | 178.8° |
| C44 | C17 | C18 | C39 | 0.1° | 0.3° |
| C44 | C17 | C18 | C14 | 179.7° | 179.6° |
| C44 | C17 | C16 | H23 | 1.8° | 0.9° |
| C17 | C44 | H28 | H29 | 120.0° | 120.0° |
| C17 | C44 | H28 | H30 | 120.0° | 120.0° |
| C17 | C44 | H29 | H30 | 120.0° | 120.1° |
| C17 | C16 | C15 | H23 | 180.0° | 179.8° |
| C16 | C17 | C18 | C39 | 179.9° | 179.9° |
| C16 | C17 | C18 | C14 | 0.3° | 0.1° |
| C17 | C16 | C15 | N3 | 178.4° | 178.5° |
| C17 | C16 | C15 | C13 | 1.1° | 0.5° |
| C16 | C17 | C44 | H28 | 90.0° | 95.7° |
| C16 | C17 | C44 | H29 | 150.0° | 144.3° |
| C16 | C17 | C44 | H30 | 30.0° | 24.2° |
| C18 | C17 | C16 | C15 | 1.8° | 0.8° |
| C17 | C18 | C39 | C14 | 179.8° | 179.9° |
| C17 | C18 | C14 | C13 | 1.9° | 0.9° |
| C18 | C17 | C16 | H23 | 178.2° | 179.4° |
| C17 | C18 | C14 | H24 | 178.1° | 179.1° |
| C17 | C18 | C39 | H25 | 89.9° | 84.2° |
| C17 | C18 | C39 | H26 | 150.1° | 155.7° |
| C17 | C18 | C39 | H27 | 30.1° | 35.8° |
| C18 | C17 | C44 | H28 | 90.0° | 84.6° |
| C18 | C17 | C44 | H29 | 30.0° | 35.4° |
| C18 | C17 | C44 | H30 | 150.0° | 155.4° |
| C16 | C15 | N3 | C13 | 179.5° | 179.0° |
| C16 | C15 | N3 | C6 | 179.3° | 176.4° |
| C16 | C15 | C13 | C14 | 1.0° | 0.4° |
| C16 | C15 | C13 | N4 | 178.4° | 178.6° |
| C39 | C18 | C14 | C13 | 177.9° | 178.9° |
| C39 | C18 | C14 | H24 | 2.1° | 1.1° |
| C18 | C39 | H25 | H26 | 120.0° | 120.1° |
| C18 | C39 | H25 | H27 | 120.0° | 120.0° |
| C18 | C39 | H26 | H27 | 120.0° | 120.0° |
| C18 | C14 | C13 | C15 | 2.5° | 1.1° |
| C18 | C14 | C13 | H24 | 180.0° | 180.0° |
| C18 | C14 | C13 | N4 | 179.9° | 177.8° |
| C14 | C18 | C39 | H25 | 89.9° | 95.9° |
| C14 | C18 | C39 | H26 | 30.1° | 24.2° |
| C14 | C18 | C39 | H27 | 150.1° | 144.1° |
| N3 | C15 | C13 | C14 | 179.5° | 179.4° |
| N3 | C15 | C13 | N4 | 2.0° | 0.5° |
| C15 | N3 | C6 | C5 | 177.9° | 177.1° |
| C15 | N3 | C6 | C7 | 0.2° | 2.0° |
| N3 | C15 | C16 | H23 | 1.6° | 1.3° |
| C13 | C15 | N3 | C6 | 1.2° | 2.6° |
| C15 | C13 | C14 | N4 | 177.4° | 179.0° |
| C15 | C13 | N4 | C7 | 1.5° | 2.4° |
| C13 | C15 | C16 | H23 | 178.9° | 179.7° |
| C15 | C13 | C14 | H24 | 177.5° | 178.9° |
| N3 | C6 | C5 | C4 | 1.7° | 5.5° |
| N3 | C6 | C5 | C7 | 177.8° | 179.1° |
| N3 | C6 | C5 | C1 | 178.0° | 172.2° |
| N3 | C6 | C7 | N4 | 0.7° | 0.8° |
| N3 | C6 | C7 | C8 | 179.5° | 177.3° |
| C14 | C13 | N4 | C7 | 178.8° | 176.6° |
| C13 | N4 | C7 | C6 | 0.1° | 3.0° |
| C13 | N4 | C7 | C8 | 179.6° | 175.1° |
| N4 | C13 | C14 | H24 | 0.1° | 2.1° |
| C3 | C4 | C5 | H22 | 180.0° | 180.0° |
| C4 | C3 | C2 | H21 | 180.0° | 179.5° |
| C3 | C4 | C5 | C6 | 179.9° | 175.2° |
| C3 | C4 | C5 | C1 | 0.3° | 2.5° |
| C4 | C3 | C2 | N2 | 0.1° | 1.7° |
| C4 | C3 | C2 | H20 | 179.9° | 178.1° |
| C5 | C4 | C3 | C2 | 0.4° | 1.0° |
| C4 | C5 | C6 | C1 | 179.6° | 177.6° |
| C4 | C5 | C6 | C7 | 179.5° | 175.4° |
| C4 | C5 | C1 | N2 | 0.3° | 5.5° |
| C4 | C5 | C1 | C10 | 179.6° | 176.2° |
| C5 | C4 | C3 | H21 | 179.6° | 179.5° |
| C3 | C2 | N2 | H20 | 180.0° | 179.8° |
| C3 | C2 | N2 | C1 | 0.6° | 1.4° |
| C3 | C2 | N2 | RU | 175.1° | 179.3° |
| C2 | C3 | C4 | H22 | 179.6° | 179.1° |
| C5 | C6 | C7 | N4 | 178.6° | 179.9° |
| C5 | C6 | C7 | C8 | 1.7° | 1.8° |
| C6 | C5 | C1 | N2 | 179.3° | 172.2° |
| C6 | C5 | C1 | C10 | 0.7° | 6.1° |
| C6 | C5 | C4 | H22 | 0.1° | 4.9° |
| C7 | C6 | C5 | C1 | 0.2° | 7.0° |
| C6 | C7 | N4 | C8 | 179.7° | 178.1° |
| C6 | C7 | C8 | C10 | 2.5° | 4.2° |
| C6 | C7 | C8 | C9 | 178.3° | 177.5° |
| C5 | C1 | N2 | C2 | 0.8° | 5.0° |
| C5 | C1 | N2 | C10 | 180.0° | 178.3° |
| C5 | C1 | N2 | RU | 175.7° | 175.5° |
| C5 | C1 | C10 | C8 | 0.1° | 0.0° |
| C5 | C1 | C10 | N1 | 177.7° | 177.7° |
| C1 | C5 | C4 | H22 | 179.7° | 177.5° |
| N4 | C7 | C8 | C10 | 177.8° | 174.0° |
| N4 | C7 | C8 | C9 | 1.4° | 4.3° |
| C7 | C8 | C10 | C1 | 1.6° | 5.1° |
| C7 | C8 | C10 | C9 | 179.3° | 178.3° |
| C7 | C8 | C10 | N1 | 175.8° | 172.5° |
| C7 | C8 | C9 | C11 | 177.9° | 175.8° |
| C7 | C8 | C9 | H11 | 2.1° | 4.8° |
| C2 | N2 | C1 | RU | 176.4° | 179.5° |
| C2 | N2 | C1 | C10 | 179.2° | 176.8° |
| C2 | N2 | RU | N5 | 91.5° | 94.2° |
| C2 | N2 | RU | N12 | 2.5° | 3.0° |
| C2 | N2 | RU | N1 | 179.3° | 176.5° |
| C2 | N2 | RU | N9 | 86.7° | 81.5° |
| C2 | N2 | RU | N8 | 109.8° | 121.1° |
| N2 | C2 | C3 | H21 | 180.0° | 178.8° |
| N2 | C1 | C10 | C8 | 180.0° | 178.2° |
| N2 | C1 | C10 | N1 | 2.3° | 0.6° |
| C1 | N2 | RU | N5 | 84.2° | 86.3° |
| C1 | N2 | RU | N12 | 178.1° | 177.6° |
| C1 | N2 | RU | N1 | 3.7° | 2.9° |
| C1 | N2 | RU | N9 | 97.7° | 97.9° |
| C1 | N2 | RU | N8 | 65.8° | 59.5° |
| C1 | N2 | C2 | H20 | 179.4° | 178.9° |
| C10 | C1 | N2 | RU | 4.4° | 2.8° |
| C1 | C10 | C8 | N1 | 177.3° | 177.6° |
| C1 | C10 | C8 | C9 | 179.2° | 176.5° |
| C1 | C10 | N1 | RU | 0.7° | 1.9° |
| C1 | C10 | N1 | C12 | 176.2° | 177.5° |
| N2 | RU | N1 | C10 | 2.4° | 2.6° |
| N2 | RU | N5 | C20 | 4.2° | 4.1° |
| N2 | RU | N12 | C38 | 84.4° | 84.7° |
| N2 | RU | N5 | N12 | 94.9° | 92.7° |
| N2 | RU | N5 | N1 | 83.4° | 84.4° |
| N2 | RU | N5 | N9 | 129.1° | 131.8° |
| N2 | RU | N5 | N8 | 179.5° | 176.1° |
| N2 | RU | N5 | C19 | 171.8° | 175.9° |
| N2 | RU | N12 | N1 | 45.8° | 9.6° |
| N2 | RU | N12 | N9 | 87.9° | 95.0° |
| N2 | RU | N12 | N8 | 178.5° | 172.5° |
| N2 | RU | N12 | C36 | 85.3° | 95.4° |
| N2 | RU | N1 | N9 | 87.9° | 94.8° |
| N2 | RU | N1 | N8 | 178.5° | 172.4° |
| N2 | RU | N9 | N8 | 179.5° | 176.7° |
| N2 | RU | N1 | C12 | 173.8° | 176.7° |
| N2 | RU | N9 | C29 | 94.0° | 92.7° |
| N2 | RU | N9 | C30 | 92.4° | 87.6° |
| N2 | RU | N8 | C26 | 26.1° | 26.8° |
| N2 | RU | N8 | C28 | 160.8° | 153.3° |
| RU | N2 | C2 | H20 | 5.0° | 0.5° |
| C10 | C8 | C9 | C11 | 1.3° | 2.6° |
| C8 | C10 | N1 | RU | 176.8° | 175.7° |
| C8 | C10 | N1 | C12 | 6.3° | 4.9° |
| C10 | C8 | C9 | H11 | 178.7° | 176.9° |
| C9 | C8 | C10 | N1 | 3.5° | 5.8° |
| C8 | C9 | C11 | H11 | 180.0° | 179.5° |
| C8 | C9 | C11 | C12 | 2.5° | 1.4° |
| C8 | C9 | C11 | H10 | 177.5° | 179.4° |
| C10 | N1 | RU | N5 | 90.9° | 86.0° |
| C10 | N1 | RU | N12 | 48.4° | 12.2° |
| C10 | N1 | RU | C12 | 176.2° | 179.3° |
| C10 | N1 | RU | N9 | 90.4° | 97.4° |
| C10 | N1 | RU | N8 | 176.1° | 169.8° |
| C10 | N1 | C12 | C11 | 7.1° | 0.7° |
| C10 | N1 | C12 | H9 | 172.9° | 179.2° |
| C21 | C20 | N5 | H19 | 180.0° | 179.9° |
| C20 | C21 | C43 | H18 | 180.0° | 180.0° |
| C21 | C20 | N5 | RU | 173.0° | 179.7° |
| C21 | C20 | N5 | C19 | 5.7° | 0.2° |
| C20 | C21 | C43 | C22 | 0.0° | 0.2° |
| C20 | C21 | C43 | H17 | 180.0° | 179.7° |
| N5 | C20 | C21 | C43 | 3.9° | 0.1° |
| C20 | N5 | RU | C19 | 167.6° | 180.0° |
| C20 | N5 | RU | N12 | 90.7° | 88.6° |
| C20 | N5 | RU | N1 | 87.7° | 88.4° |
| C20 | N5 | RU | N9 | 124.8° | 127.8° |
| C20 | N5 | RU | N8 | 176.3° | 179.8° |
| C20 | N5 | C19 | C22 | 4.3° | 0.4° |
| C20 | N5 | C19 | C26 | 177.3° | 179.8° |
| N5 | C20 | C21 | H18 | 176.1° | 180.0° |
| C21 | C43 | C22 | H17 | 180.0° | 179.9° |
| C21 | C43 | C22 | C19 | 1.4° | 0.0° |
| C21 | C43 | C22 | C23 | 180.0° | 179.9° |
| C43 | C21 | C20 | H19 | 176.2° | 179.8° |
| C9 | C11 | C12 | N1 | 5.7° | 2.5° |
| C9 | C11 | C12 | H10 | 180.0° | 179.2° |
| C9 | C11 | C12 | H9 | 174.3° | 177.5° |
| C38 | C37 | C41 | H1 | 180.0° | 179.7° |
| C37 | C38 | N12 | H2 | 180.0° | 179.9° |
| C38 | C37 | C41 | C35 | 1.0° | 0.0° |
| C37 | C38 | N12 | RU | 176.8° | 179.9° |
| C37 | C38 | N12 | C36 | 7.3° | 0.1° |
| C38 | C37 | C41 | H3 | 179.0° | 179.9° |
| C41 | C37 | C38 | N12 | 5.5° | 0.1° |
| C37 | C41 | C35 | H3 | 180.0° | 180.0° |
| C37 | C41 | C35 | C36 | 0.9° | 0.3° |
| C37 | C41 | C35 | C34 | 179.5° | 179.7° |
| C41 | C37 | C38 | H2 | 174.6° | 179.8° |
| C38 | N12 | RU | N5 | 9.0° | 3.9° |
| C38 | N12 | C36 | C35 | 5.3° | 0.3° |
| C38 | N12 | RU | C36 | 169.8° | 179.9° |
| C38 | N12 | RU | N1 | 130.2° | 94.2° |
| C38 | N12 | RU | N9 | 172.3° | 179.7° |
| C38 | N12 | RU | N8 | 94.1° | 87.8° |
| C38 | N12 | C36 | C29 | 175.3° | 179.9° |
| N12 | C38 | C37 | H1 | 174.5° | 179.8° |
| C41 | C35 | C36 | C34 | 178.6° | 179.9° |
| C41 | C35 | C36 | N12 | 1.3° | 0.4° |
| C41 | C35 | C36 | C29 | 179.3° | 179.8° |
| C41 | C35 | C34 | C33 | 178.8° | 179.9° |
| C35 | C41 | C37 | H1 | 179.0° | 179.7° |
| C41 | C35 | C34 | H4 | 1.2° | 0.0° |
| N5 | RU | N12 | N1 | 139.2° | 98.1° |
| N5 | RU | N12 | N9 | 178.7° | 176.4° |
| N5 | RU | N12 | N8 | 85.1° | 83.9° |
| N5 | RU | N12 | C36 | 178.8° | 176.0° |
| N5 | RU | N1 | N9 | 178.7° | 176.6° |
| N5 | RU | N1 | N8 | 85.2° | 83.8° |
| N5 | RU | N9 | N8 | 51.3° | 51.7° |
| N5 | RU | N1 | C12 | 92.9° | 94.7° |
| N5 | RU | N9 | C29 | 35.1° | 38.9° |
| N5 | RU | N9 | C30 | 138.5° | 140.8° |
| RU | N5 | C19 | C22 | 174.1° | 179.6° |
| RU | N5 | C19 | C26 | 7.6° | 0.3° |
| N5 | RU | N8 | C26 | 7.7° | 0.2° |
| N5 | RU | N8 | C28 | 179.2° | 179.7° |
| RU | N5 | C20 | H19 | 7.0° | 0.2° |
| C19 | N5 | RU | N12 | 76.9° | 91.4° |
| C19 | N5 | RU | N1 | 104.7° | 91.5° |
| C19 | N5 | RU | N9 | 42.8° | 52.3° |
| C19 | N5 | RU | N8 | 8.7° | 0.2° |
| N5 | C19 | C22 | C43 | 0.8° | 0.2° |
| N5 | C19 | C22 | C26 | 178.3° | 179.8° |
| N5 | C19 | C22 | C23 | 177.8° | 179.6° |
| N5 | C19 | C26 | N8 | 1.4° | 0.1° |
| N5 | C19 | C26 | C25 | 176.9° | 180.0° |
| C19 | N5 | C20 | H19 | 174.3° | 179.9° |
| C35 | C36 | N12 | RU | 176.9° | 179.7° |
| C35 | C36 | N12 | C29 | 179.3° | 179.8° |
| C36 | C35 | C34 | C33 | 0.2° | 0.0° |
| C35 | C36 | C29 | N9 | 177.5° | 179.9° |
| C35 | C36 | C29 | C32 | 3.3° | 0.3° |
| C36 | C35 | C41 | H3 | 179.1° | 179.7° |
| C36 | C35 | C34 | H4 | 179.8° | 180.0° |
| C34 | C35 | C36 | N12 | 177.2° | 179.5° |
| C34 | C35 | C36 | C29 | 2.1° | 0.3° |
| C35 | C34 | C33 | H4 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 0.3° | 0.2° |
| C34 | C35 | C41 | H3 | 0.5° | 0.4° |
| C35 | C34 | C33 | H5 | 179.8° | 179.8° |
| N12 | RU | N1 | N9 | 42.0° | 85.2° |
| N12 | RU | N1 | N8 | 135.5° | 178.0° |
| N12 | RU | N9 | N8 | 85.5° | 91.1° |
| N12 | RU | N1 | C12 | 127.8° | 167.1° |
| RU | N12 | C36 | C29 | 3.7° | 0.1° |
| N12 | RU | N9 | C29 | 0.9° | 0.5° |
| N12 | RU | N9 | C30 | 172.7° | 179.8° |
| N12 | RU | N8 | C26 | 86.3° | 91.4° |
| N12 | RU | N8 | C28 | 86.8° | 88.5° |
| RU | N12 | C38 | H2 | 3.2° | 0.0° |
| C36 | N12 | RU | N1 | 39.6° | 85.8° |
| C36 | N12 | RU | N9 | 2.5° | 0.4° |
| C36 | N12 | RU | N8 | 96.1° | 92.1° |
| N12 | C36 | C29 | N9 | 3.1° | 0.3° |
| N12 | C36 | C29 | C32 | 176.1° | 179.5° |
| C36 | N12 | C38 | H2 | 172.8° | 180.0° |
| N1 | RU | N9 | N8 | 96.1° | 91.9° |
| N1 | RU | N9 | C29 | 177.4° | 177.5° |
| N1 | RU | N9 | C30 | 9.0° | 2.8° |
| RU | N1 | C12 | C11 | 176.7° | 180.0° |
| N1 | RU | N8 | C26 | 95.4° | 88.7° |
| N1 | RU | N8 | C28 | 91.5° | 91.4° |
| RU | N1 | C12 | H9 | 3.2° | 0.0° |
| N9 | RU | N1 | C12 | 85.8° | 81.9° |
| RU | N9 | C29 | C36 | 0.9° | 0.6° |
| RU | N9 | C29 | C30 | 174.7° | 179.7° |
| RU | N9 | C29 | C32 | 178.2° | 179.2° |
| RU | N9 | C30 | C31 | 177.8° | 179.0° |
| N9 | RU | N8 | C26 | 170.4° | 175.7° |
| N9 | RU | N8 | C28 | 2.7° | 4.2° |
| RU | N9 | C30 | H8 | 2.2° | 0.9° |
| N8 | RU | N1 | C12 | 7.7° | 10.9° |
| N8 | RU | N9 | C29 | 86.4° | 90.6° |
| N8 | RU | N9 | C30 | 87.2° | 89.1° |
| RU | N8 | C26 | C19 | 5.7° | 0.1° |
| RU | N8 | C26 | C28 | 174.9° | 179.9° |
| RU | N8 | C26 | C25 | 176.1° | 179.8° |
| RU | N8 | C28 | C27 | 175.0° | 179.9° |
| RU | N8 | C28 | H12 | 5.0° | 0.0° |
| N1 | C12 | C11 | H9 | 180.0° | 180.0° |
| N1 | C12 | C11 | H10 | 174.3° | 178.3° |
| C36 | C29 | N9 | C32 | 179.1° | 179.8° |
| C36 | C29 | N9 | C30 | 175.6° | 179.7° |
| C36 | C29 | C32 | C33 | 3.0° | 0.2° |
| C36 | C29 | C32 | C40 | 178.5° | 179.7° |
| C34 | C33 | C32 | C29 | 1.1° | 0.1° |
| C34 | C33 | C32 | H5 | 180.0° | 180.0° |
| C34 | C33 | C32 | C40 | 179.6° | 180.0° |
| C43 | C22 | C19 | C23 | 178.6° | 179.9° |
| C43 | C22 | C19 | C26 | 179.1° | 179.9° |
| C43 | C22 | C23 | C24 | 178.6° | 179.8° |
| C43 | C22 | C23 | H16 | 1.4° | 0.2° |
| C22 | C43 | C21 | H18 | 180.0° | 179.9° |
| N9 | C29 | C32 | C33 | 177.9° | 180.0° |
| N9 | C29 | C32 | C40 | 0.6° | 0.1° |
| C29 | N9 | C30 | C31 | 4.4° | 0.7° |
| C29 | N9 | C30 | H8 | 175.6° | 179.4° |
| C32 | C29 | N9 | C30 | 3.5° | 0.5° |
| C29 | C32 | C33 | C40 | 178.5° | 179.9° |
| C29 | C32 | C40 | C31 | 1.3° | 0.5° |
| C29 | C32 | C33 | H5 | 178.8° | 179.9° |
| C29 | C32 | C40 | H6 | 178.7° | 179.4° |
| N9 | C30 | C31 | H8 | 180.0° | 179.9° |
| N9 | C30 | C31 | C40 | 2.8° | 0.2° |
| N9 | C30 | C31 | H7 | 177.2° | 179.6° |
| C33 | C32 | C40 | C31 | 179.9° | 179.6° |
| C32 | C33 | C34 | H4 | 179.8° | 179.9° |
| C33 | C32 | C40 | H6 | 0.1° | 0.5° |
| C32 | C40 | C31 | C30 | 0.3° | 0.4° |
| C32 | C40 | C31 | H6 | 180.0° | 179.9° |
| C40 | C32 | C33 | H5 | 0.4° | 0.0° |
| C32 | C40 | C31 | H7 | 179.7° | 179.8° |
| C30 | C31 | C40 | H7 | 180.0° | 179.9° |
| C30 | C31 | C40 | H6 | 179.7° | 179.6° |
| C40 | C31 | C30 | H8 | 177.2° | 179.9° |
| C12 | C11 | C9 | H11 | 177.5° | 179.1° |
| C22 | C19 | C26 | N8 | 179.8° | 179.7° |
| C22 | C19 | C26 | C25 | 1.5° | 0.2° |
| C19 | C22 | C23 | C24 | 0.0° | 0.4° |
| C19 | C22 | C23 | H16 | 180.0° | 179.7° |
| C19 | C22 | C43 | H17 | 178.7° | 179.9° |
| C26 | C19 | C22 | C23 | 0.5° | 0.2° |
| C19 | C26 | N8 | C25 | 178.1° | 179.9° |
| C19 | C26 | N8 | C28 | 179.4° | 179.8° |
| C19 | C26 | C25 | C24 | 2.1° | 0.5° |
| C19 | C26 | C25 | C42 | 179.1° | 179.6° |
| C22 | C23 | C24 | H16 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.6° | 0.1° |
| C22 | C23 | C24 | H15 | 179.4° | 180.0° |
| C23 | C22 | C43 | H17 | 0.1° | 0.0° |
| C26 | N8 | C28 | C27 | 1.9° | 0.0° |
| N8 | C26 | C25 | C24 | 179.8° | 179.4° |
| N8 | C26 | C25 | C42 | 1.0° | 0.5° |
| C26 | N8 | C28 | H12 | 178.1° | 179.9° |
| C28 | N8 | C26 | C25 | 1.3° | 0.3° |
| N8 | C28 | C27 | H12 | 180.0° | 179.9° |
| N8 | C28 | C27 | C42 | 2.4° | 0.1° |
| N8 | C28 | C27 | H13 | 177.6° | 179.8° |
| C26 | C25 | C24 | C23 | 1.7° | 0.3° |
| C26 | C25 | C24 | C42 | 178.8° | 179.9° |
| C26 | C25 | C42 | C27 | 1.2° | 0.3° |
| C26 | C25 | C42 | H14 | 178.8° | 179.7° |
| C26 | C25 | C24 | H15 | 178.3° | 179.6° |
| C23 | C24 | C25 | H15 | 180.0° | 179.9° |
| C23 | C24 | C25 | C42 | 179.6° | 179.8° |
| C28 | C27 | C42 | C25 | 1.9° | 0.1° |
| C28 | C27 | C42 | H13 | 180.0° | 179.9° |
| C28 | C27 | C42 | H14 | 178.1° | 179.9° |
| C24 | C25 | C42 | C27 | 180.0° | 179.6° |
| C24 | C25 | C42 | H14 | 0.0° | 0.4° |
| C25 | C24 | C23 | H16 | 179.4° | 179.9° |
| C25 | C42 | C27 | H14 | 180.0° | 180.0° |
| C25 | C42 | C27 | H13 | 178.1° | 179.9° |
| C42 | C25 | C24 | H15 | 0.4° | 0.3° |
| C42 | C27 | C28 | H12 | 177.6° | 180.0° |
| H1 | C37 | C38 | H2 | 5.4° | 0.1° |
| H1 | C37 | C41 | H3 | 1.0° | 0.4° |
| H4 | C34 | C33 | H5 | 0.2° | 0.2° |
| H6 | C40 | C31 | H7 | 0.3° | 0.3° |
| H7 | C31 | C30 | H8 | 2.8° | 0.3° |
| H9 | C12 | C11 | H10 | 5.7° | 1.7° |
| H10 | C11 | C9 | H11 | 2.5° | 0.1° |
| H12 | C28 | C27 | H13 | 2.4° | 0.1° |
| H13 | C27 | C42 | H14 | 2.0° | 0.0° |
| H15 | C24 | C23 | H16 | 0.6° | 0.0° |
| H17 | C43 | C21 | H18 | 0.0° | 0.2° |
| H18 | C21 | C20 | H19 | 3.9° | 0.1° |
| H20 | C2 | C3 | H21 | 0.0° | 1.4° |
| H21 | C3 | C4 | H22 | 0.4° | 0.5° |
| H25 | C39 | H26 | H27 | 120.0° | 120.0° |
| H28 | C44 | H29 | H30 | 120.0° | 119.9° |
