7K1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C17 | sing | 1.51Å | 1.54Å | |
| C17 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C37 | C38 | doub | 1.39Å | 1.41Å | Aromatic |
| C37 | C36 | sing | 1.37Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.48Å | 1.50Å | |
| C15 | C14 | doub | 1.41Å | 1.43Å | Aromatic |
| C39 | C34 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C35 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C35 | N41 | sing | 1.36Å | 1.36Å | Aromatic |
| C25 | C20 | doub | 1.39Å | 1.42Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.42Å | Aromatic |
| C14 | C11 | sing | 1.48Å | 1.51Å | |
| C34 | N40 | sing | 1.38Å | 1.34Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| N41 | C33 | doub | 1.30Å | 1.31Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| N40 | C33 | sing | 1.36Å | 1.27Å | Aromatic |
| C33 | C31 | sing | 1.51Å | 1.51Å | |
| C11 | N7 | sing | 1.38Å | 1.29Å | Aromatic |
| C11 | C1 | doub | 1.36Å | 1.35Å | Aromatic |
| N7 | C6 | sing | 1.37Å | 1.35Å | Aromatic |
| O13 | C12 | doub | 1.21Å | 1.23Å | |
| C8 | C1 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C1 | C5 | sing | 1.46Å | 1.50Å | Aromatic |
| C12 | C9 | sing | 1.51Å | 1.53Å | |
| C12 | N27 | sing | 1.35Å | 1.38Å | |
| C31 | N27 | sing | 1.47Å | 1.48Å | |
| C31 | C30 | sing | 1.53Å | 1.55Å | |
| N27 | C28 | sing | 1.47Å | 1.48Å | |
| C6 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C6 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| C5 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C30 | O32 | sing | 1.43Å | 1.44Å | |
| N4 | C3 | doub | 1.32Å | 1.37Å | Aromatic |
| O32 | C29 | sing | 1.43Å | 1.44Å | |
| C10 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.42Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C23 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C25 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| N7 | H20 | sing | 0.97Å | 1.00Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.08Å | 1.08Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.08Å | 1.08Å | |
| C37 | H28 | sing | 1.08Å | 1.08Å | |
| C38 | H29 | sing | 1.08Å | 1.08Å | |
| C39 | H30 | sing | 1.08Å | 1.08Å | |
| N40 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C17 | C16 | 120.2° | 119.8° |
| C26 | C17 | C18 | 120.1° | 119.8° |
| C17 | C26 | H11 | 109.5° | 109.4° |
| C17 | C26 | H12 | 109.5° | 109.5° |
| C17 | C26 | H13 | 109.5° | 109.5° |
| C16 | C17 | C18 | 119.7° | 120.4° |
| C17 | C16 | C15 | 121.1° | 120.1° |
| C17 | C16 | H3 | 119.4° | 120.0° |
| C17 | C18 | C19 | 120.4° | 120.4° |
| C17 | C18 | H4 | 119.8° | 119.8° |
| C38 | C37 | C36 | 121.4° | 120.7° |
| C37 | C38 | C39 | 121.4° | 120.4° |
| C38 | C37 | H28 | 119.3° | 119.7° |
| C37 | C38 | H29 | 119.3° | 119.8° |
| C37 | C36 | C35 | 116.8° | 119.9° |
| C37 | C36 | H27 | 121.6° | 120.1° |
| C36 | C37 | H28 | 119.3° | 119.6° |
| C16 | C15 | C20 | 118.6° | 120.3° |
| C16 | C15 | C14 | 118.2° | 119.6° |
| C15 | C16 | H3 | 119.4° | 119.9° |
| C38 | C39 | C34 | 116.2° | 119.7° |
| C39 | C38 | H29 | 119.3° | 119.8° |
| C38 | C39 | H30 | 121.9° | 120.2° |
| C18 | C19 | C14 | 119.9° | 120.0° |
| C19 | C18 | H4 | 119.8° | 119.8° |
| C18 | C19 | H5 | 120.1° | 120.0° |
| C36 | C35 | C34 | 121.5° | 119.5° |
| C36 | C35 | N41 | 131.3° | 133.6° |
| C35 | C36 | H27 | 121.6° | 120.1° |
| C20 | C15 | C14 | 123.2° | 120.2° |
| C15 | C20 | C25 | 120.9° | 120.1° |
| C15 | C20 | C21 | 120.2° | 120.1° |
| C15 | C14 | C19 | 120.7° | 119.6° |
| C15 | C14 | C11 | 124.0° | 120.2° |
| C39 | C34 | C35 | 122.7° | 119.8° |
| C39 | C34 | N40 | 132.5° | 134.1° |
| C34 | C39 | H30 | 121.9° | 120.1° |
| C19 | C14 | C11 | 115.3° | 120.2° |
| C14 | C19 | H5 | 120.0° | 120.0° |
| C34 | C35 | N41 | 107.2° | 106.9° |
| C35 | C34 | N40 | 104.9° | 106.0° |
| C35 | N41 | C33 | 106.2° | 109.6° |
| C20 | C25 | C24 | 119.9° | 119.8° |
| C25 | C20 | C21 | 118.8° | 119.8° |
| C20 | C25 | H10 | 120.1° | 120.1° |
| C25 | C24 | C23 | 120.8° | 120.1° |
| C25 | C24 | H9 | 119.6° | 119.9° |
| C24 | C25 | H10 | 120.1° | 120.1° |
| C20 | C21 | C22 | 120.8° | 119.8° |
| C20 | C21 | H6 | 119.6° | 120.1° |
| C14 | C11 | N7 | 122.7° | 125.3° |
| C14 | C11 | C1 | 126.3° | 125.3° |
| C34 | N40 | C33 | 109.6° | 107.3° |
| C34 | N40 | H31 | 125.2° | 126.4° |
| C24 | C23 | C22 | 119.5° | 120.3° |
| C24 | C23 | H8 | 120.3° | 119.9° |
| C23 | C24 | H9 | 119.6° | 119.9° |
| N41 | C33 | N40 | 112.0° | 110.1° |
| N41 | C33 | C31 | 122.8° | 124.9° |
| C21 | C22 | C23 | 120.2° | 120.2° |
| C22 | C21 | H6 | 119.6° | 120.1° |
| C21 | C22 | H7 | 119.9° | 119.9° |
| C23 | C22 | H7 | 119.9° | 119.9° |
| C22 | C23 | H8 | 120.3° | 119.9° |
| N40 | C33 | C31 | 124.9° | 125.0° |
| C33 | N40 | H31 | 125.2° | 126.4° |
| C33 | C31 | N27 | 113.7° | 109.7° |
| C33 | C31 | C30 | 111.7° | 109.7° |
| C33 | C31 | H26 | 107.0° | 109.7° |
| N7 | C11 | C1 | 110.8° | 109.5° |
| C11 | N7 | C6 | 111.4° | 110.0° |
| C11 | N7 | H20 | 124.3° | 125.0° |
| C11 | C1 | C8 | 128.0° | 126.6° |
| C11 | C1 | C5 | 105.6° | 106.8° |
| N7 | C6 | C5 | 109.0° | 107.3° |
| N7 | C6 | N4 | 129.6° | 132.9° |
| C6 | N7 | H20 | 124.3° | 125.1° |
| O13 | C12 | C9 | 115.9° | 120.1° |
| O13 | C12 | N27 | 121.8° | 120.0° |
| C1 | C8 | C9 | 110.4° | 109.5° |
| C8 | C1 | C5 | 126.3° | 126.6° |
| C1 | C8 | H21 | 109.2° | 109.5° |
| C1 | C8 | H22 | 109.3° | 109.5° |
| C8 | C9 | C12 | 115.1° | 109.4° |
| C9 | C8 | H21 | 109.3° | 109.5° |
| C9 | C8 | H22 | 109.2° | 109.5° |
| C8 | C9 | H23 | 108.1° | 109.4° |
| C8 | C9 | H24 | 108.1° | 109.5° |
| C1 | C5 | C6 | 102.9° | 106.5° |
| C1 | C5 | C10 | 135.3° | 134.1° |
| C9 | C12 | N27 | 122.3° | 120.0° |
| C12 | C9 | H23 | 108.0° | 109.5° |
| C12 | C9 | H24 | 108.0° | 109.5° |
| C12 | N27 | C31 | 119.0° | 121.0° |
| C12 | N27 | C28 | 120.8° | 121.0° |
| N27 | C31 | C30 | 110.3° | 108.4° |
| C31 | N27 | C28 | 119.9° | 118.1° |
| N27 | C31 | H26 | 107.3° | 109.7° |
| C31 | C30 | O32 | 112.3° | 109.3° |
| C31 | C30 | H18 | 108.8° | 109.5° |
| C31 | C30 | H19 | 108.8° | 109.6° |
| C30 | C31 | H26 | 106.5° | 109.7° |
| N27 | C28 | C29 | 108.9° | 108.4° |
| N27 | C28 | H14 | 109.6° | 109.7° |
| N27 | C28 | H15 | 109.6° | 109.7° |
| C5 | C6 | N4 | 121.4° | 119.8° |
| C6 | C5 | C10 | 121.7° | 119.5° |
| C6 | N4 | C3 | 119.2° | 121.7° |
| C5 | C10 | C2 | 116.2° | 118.0° |
| C5 | C10 | H25 | 121.9° | 121.0° |
| C28 | C29 | O32 | 110.2° | 109.2° |
| C29 | C28 | H14 | 109.6° | 109.7° |
| C29 | C28 | H15 | 109.6° | 109.7° |
| C28 | C29 | H16 | 109.3° | 109.5° |
| C28 | C29 | H17 | 109.3° | 109.5° |
| C30 | O32 | C29 | 113.3° | 114.1° |
| O32 | C30 | H18 | 108.8° | 109.5° |
| O32 | C30 | H19 | 108.7° | 109.5° |
| N4 | C3 | C2 | 121.0° | 121.6° |
| N4 | C3 | H2 | 119.5° | 119.2° |
| O32 | C29 | H16 | 109.3° | 109.5° |
| O32 | C29 | H17 | 109.3° | 109.6° |
| C10 | C2 | C3 | 120.4° | 119.4° |
| C10 | C2 | H1 | 119.8° | 120.3° |
| C2 | C10 | H25 | 121.9° | 120.9° |
| C3 | C2 | H1 | 119.8° | 120.3° |
| C2 | C3 | H2 | 119.5° | 119.2° |
| H11 | C26 | H12 | 109.5° | 109.5° |
| H11 | C26 | H13 | 109.5° | 109.5° |
| H12 | C26 | H13 | 109.4° | 109.4° |
| H14 | C28 | H15 | 109.5° | 109.7° |
| H16 | C29 | H17 | 109.5° | 109.5° |
| H18 | C30 | H19 | 109.4° | 109.5° |
| H21 | C8 | H22 | 109.4° | 109.4° |
| H23 | C9 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C17 | C16 | C18 | 177.4° | 179.9° |
| C26 | C17 | C16 | C15 | 178.2° | 180.0° |
| C26 | C17 | C18 | C19 | 179.7° | 179.7° |
| C26 | C17 | C16 | H3 | 1.8° | 0.0° |
| C26 | C17 | C18 | H4 | 0.3° | 0.1° |
| C17 | C26 | H11 | H12 | 120.0° | 120.0° |
| C17 | C26 | H11 | H13 | 120.0° | 120.0° |
| C17 | C26 | H12 | H13 | 120.0° | 120.0° |
| C17 | C16 | C15 | H3 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 2.9° | 0.4° |
| C17 | C16 | C15 | C20 | 176.7° | 180.0° |
| C17 | C16 | C15 | C14 | 1.3° | 0.0° |
| C16 | C17 | C18 | H4 | 177.1° | 180.0° |
| C16 | C17 | C26 | H11 | 88.7° | 90.0° |
| C16 | C17 | C26 | H12 | 151.3° | 150.0° |
| C16 | C17 | C26 | H13 | 31.3° | 30.0° |
| C18 | C17 | C16 | C15 | 0.8° | 0.1° |
| C17 | C18 | C19 | H4 | 180.0° | 179.6° |
| C17 | C18 | C19 | C14 | 2.9° | 0.7° |
| C18 | C17 | C16 | H3 | 179.2° | 179.9° |
| C17 | C18 | C19 | H5 | 177.1° | 180.0° |
| C18 | C17 | C26 | H11 | 88.7° | 90.1° |
| C18 | C17 | C26 | H12 | 31.3° | 29.9° |
| C18 | C17 | C26 | H13 | 151.3° | 149.9° |
| C38 | C37 | C36 | H28 | 180.0° | 179.9° |
| C37 | C38 | C39 | H29 | 180.0° | 179.9° |
| C38 | C37 | C36 | C35 | 0.0° | 0.0° |
| C37 | C38 | C39 | C34 | 0.0° | 0.1° |
| C38 | C37 | C36 | H27 | 180.0° | 180.0° |
| C37 | C38 | C39 | H30 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.2° | 0.1° |
| C37 | C36 | C35 | H27 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 0.3° | 0.1° |
| C37 | C36 | C35 | N41 | 179.9° | 180.0° |
| C36 | C37 | C38 | H29 | 179.8° | 180.0° |
| C16 | C15 | C20 | C14 | 177.9° | 179.9° |
| C16 | C15 | C14 | C19 | 1.2° | 0.3° |
| C16 | C15 | C20 | C25 | 45.9° | 123.5° |
| C16 | C15 | C20 | C21 | 131.6° | 56.2° |
| C16 | C15 | C14 | C11 | 179.2° | 180.0° |
| C38 | C39 | C34 | H30 | 180.0° | 179.9° |
| C38 | C39 | C34 | C35 | 0.3° | 0.2° |
| C38 | C39 | C34 | N40 | 179.8° | 180.0° |
| C39 | C38 | C37 | H28 | 179.8° | 180.0° |
| C18 | C19 | C14 | C15 | 0.8° | 0.6° |
| C18 | C19 | C14 | H5 | 180.0° | 179.3° |
| C18 | C19 | C14 | C11 | 178.8° | 179.6° |
| C36 | C35 | C34 | C39 | 0.5° | 0.1° |
| C36 | C35 | C34 | N41 | 179.9° | 180.0° |
| C36 | C35 | C34 | N40 | 179.6° | 180.0° |
| C36 | C35 | N41 | C33 | 178.3° | 179.8° |
| C35 | C36 | C37 | H28 | 180.0° | 179.9° |
| C20 | C15 | C14 | C19 | 176.6° | 179.8° |
| C15 | C20 | C25 | C21 | 177.5° | 179.7° |
| C15 | C20 | C25 | C24 | 179.7° | 179.7° |
| C20 | C15 | C14 | C11 | 2.9° | 0.0° |
| C15 | C20 | C21 | C22 | 179.1° | 180.0° |
| C20 | C15 | C16 | H3 | 3.3° | 0.0° |
| C15 | C20 | C21 | H6 | 0.8° | 0.1° |
| C15 | C20 | C25 | H10 | 0.3° | 0.1° |
| C15 | C14 | C19 | C11 | 179.6° | 179.7° |
| C14 | C15 | C20 | C25 | 136.3° | 56.4° |
| C14 | C15 | C20 | C21 | 46.2° | 123.9° |
| C15 | C14 | C11 | N7 | 120.8° | 112.9° |
| C15 | C14 | C11 | C1 | 64.7° | 67.1° |
| C14 | C15 | C16 | H3 | 178.8° | 180.0° |
| C15 | C14 | C19 | H5 | 179.2° | 180.0° |
| C39 | C34 | C35 | N40 | 179.9° | 179.9° |
| C39 | C34 | C35 | N41 | 179.7° | 179.9° |
| C39 | C34 | N40 | C33 | 178.9° | 180.0° |
| C34 | C39 | C38 | H29 | 180.0° | 179.9° |
| C39 | C34 | N40 | H31 | 1.1° | 0.0° |
| C19 | C14 | C11 | N7 | 58.8° | 67.3° |
| C19 | C14 | C11 | C1 | 115.7° | 112.6° |
| C14 | C19 | C18 | H4 | 177.1° | 179.7° |
| C34 | C35 | N41 | C33 | 1.6° | 0.1° |
| C35 | C34 | N40 | C33 | 1.2° | 0.2° |
| C34 | C35 | C36 | H27 | 179.7° | 180.0° |
| C35 | C34 | C39 | H30 | 179.7° | 180.0° |
| C35 | C34 | N40 | H31 | 178.8° | 179.9° |
| N41 | C35 | C34 | N40 | 0.3° | 0.1° |
| C35 | N41 | C33 | N40 | 2.4° | 0.2° |
| C35 | N41 | C33 | C31 | 176.4° | 179.9° |
| N41 | C35 | C36 | H27 | 0.1° | 0.0° |
| C20 | C25 | C24 | H10 | 180.0° | 179.6° |
| C20 | C25 | C24 | C23 | 1.3° | 0.7° |
| C25 | C20 | C21 | C22 | 3.3° | 0.3° |
| C25 | C20 | C21 | H6 | 176.7° | 179.8° |
| C20 | C25 | C24 | H9 | 178.7° | 179.7° |
| C24 | C25 | C20 | C21 | 2.8° | 0.6° |
| C25 | C24 | C23 | H9 | 180.0° | 179.6° |
| C25 | C24 | C23 | C22 | 0.2° | 0.4° |
| C25 | C24 | C23 | H8 | 179.8° | 179.7° |
| C20 | C21 | C22 | H6 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 2.3° | 0.1° |
| C20 | C21 | C22 | H7 | 177.7° | 180.0° |
| C21 | C20 | C25 | H10 | 177.2° | 179.7° |
| C14 | C11 | N7 | C1 | 175.2° | 179.9° |
| C14 | C11 | N7 | C6 | 179.3° | 179.9° |
| C14 | C11 | C1 | C8 | 3.8° | 0.2° |
| C14 | C11 | C1 | C5 | 179.3° | 180.0° |
| C11 | C14 | C19 | H5 | 1.2° | 0.3° |
| C14 | C11 | N7 | H20 | 0.7° | 0.1° |
| C34 | N40 | C33 | N41 | 2.3° | 0.3° |
| C34 | N40 | C33 | H31 | 180.0° | 179.9° |
| C34 | N40 | C33 | C31 | 176.2° | 180.0° |
| N40 | C34 | C39 | H30 | 0.2° | 0.2° |
| C24 | C23 | C22 | C21 | 0.8° | 0.1° |
| C24 | C23 | C22 | H8 | 180.0° | 179.9° |
| C24 | C23 | C22 | H7 | 179.2° | 179.9° |
| C23 | C24 | C25 | H10 | 178.7° | 179.7° |
| N41 | C33 | N40 | C31 | 173.8° | 179.7° |
| N41 | C33 | C31 | N27 | 97.8° | 51.4° |
| N41 | C33 | C31 | C30 | 136.6° | 67.6° |
| N41 | C33 | C31 | H26 | 20.5° | 171.9° |
| N41 | C33 | N40 | H31 | 177.7° | 179.8° |
| C21 | C22 | C23 | H7 | 180.0° | 179.9° |
| C21 | C22 | C23 | H8 | 179.2° | 180.0° |
| C23 | C22 | C21 | H6 | 177.7° | 180.0° |
| C22 | C23 | C24 | H9 | 179.7° | 180.0° |
| N40 | C33 | C31 | N27 | 75.4° | 129.0° |
| N40 | C33 | C31 | C30 | 50.2° | 112.1° |
| N40 | C33 | C31 | H26 | 166.3° | 8.4° |
| C33 | C31 | N27 | C12 | 89.7° | 9.7° |
| C33 | C31 | N27 | C30 | 126.3° | 119.8° |
| C33 | C31 | N27 | H26 | 118.1° | 120.5° |
| C33 | C31 | C30 | H26 | 116.4° | 120.5° |
| C33 | C31 | N27 | C28 | 84.7° | 170.3° |
| C33 | C31 | C30 | O32 | 83.0° | 172.1° |
| C33 | C31 | C30 | H18 | 37.4° | 52.1° |
| C33 | C31 | C30 | H19 | 156.5° | 68.0° |
| C31 | C33 | N40 | H31 | 3.9° | 0.1° |
| C11 | N7 | C6 | H20 | 180.0° | 180.0° |
| N7 | C11 | C1 | C8 | 178.8° | 179.7° |
| N7 | C11 | C1 | C5 | 4.3° | 0.0° |
| C11 | N7 | C6 | C5 | 4.3° | 0.0° |
| C11 | N7 | C6 | N4 | 178.4° | 179.9° |
| C1 | C11 | N7 | C6 | 5.5° | 0.0° |
| C11 | C1 | C8 | C5 | 176.3° | 179.7° |
| C11 | C1 | C8 | C9 | 123.4° | 95.0° |
| C11 | C1 | C5 | C6 | 1.6° | 0.0° |
| C11 | C1 | C5 | C10 | 177.5° | 179.9° |
| C1 | C11 | N7 | H20 | 174.5° | 180.0° |
| C11 | C1 | C8 | H21 | 3.3° | 25.0° |
| C11 | C1 | C8 | H22 | 116.4° | 145.0° |
| N7 | C6 | C5 | C1 | 1.5° | 0.0° |
| N7 | C6 | C5 | N4 | 177.6° | 179.9° |
| N7 | C6 | C5 | C10 | 175.1° | 179.9° |
| N7 | C6 | N4 | C3 | 176.6° | 180.0° |
| O13 | C12 | C9 | C8 | 12.2° | 4.6° |
| O13 | C12 | C9 | N27 | 179.3° | 180.0° |
| O13 | C12 | N27 | C31 | 2.7° | 3.7° |
| O13 | C12 | N27 | C28 | 177.1° | 176.3° |
| O13 | C12 | C9 | H23 | 108.7° | 124.5° |
| O13 | C12 | C9 | H24 | 133.0° | 115.4° |
| C1 | C8 | C9 | H21 | 120.2° | 120.1° |
| C1 | C8 | C9 | H22 | 120.2° | 120.0° |
| C1 | C8 | C9 | C12 | 168.8° | 175.0° |
| C8 | C1 | C5 | C6 | 178.5° | 179.7° |
| C8 | C1 | C5 | C10 | 5.5° | 0.3° |
| C1 | C8 | H21 | H22 | 119.6° | 120.0° |
| C1 | C8 | C9 | H23 | 70.4° | 65.0° |
| C1 | C8 | C9 | H24 | 48.0° | 55.0° |
| C9 | C8 | C1 | C5 | 52.9° | 84.7° |
| C8 | C9 | C12 | H23 | 120.9° | 119.9° |
| C8 | C9 | C12 | H24 | 120.8° | 120.0° |
| C8 | C9 | C12 | N27 | 168.6° | 175.4° |
| C9 | C8 | H21 | H22 | 119.6° | 120.0° |
| C8 | C9 | H23 | H24 | 117.5° | 120.0° |
| C1 | C5 | C6 | C10 | 176.6° | 180.0° |
| C1 | C5 | C6 | N4 | 179.1° | 179.9° |
| C1 | C5 | C10 | C2 | 178.9° | 180.0° |
| C5 | C1 | C8 | H21 | 173.0° | 155.2° |
| C5 | C1 | C8 | H22 | 67.2° | 35.3° |
| C1 | C5 | C10 | H25 | 1.1° | 0.0° |
| C9 | C12 | N27 | C31 | 178.0° | 176.3° |
| C9 | C12 | N27 | C28 | 3.7° | 3.7° |
| C12 | C9 | C8 | H21 | 48.6° | 64.9° |
| C12 | C9 | C8 | H22 | 71.1° | 55.0° |
| C12 | C9 | H23 | H24 | 117.4° | 120.0° |
| C12 | N27 | C31 | C28 | 174.4° | 180.0° |
| C12 | N27 | C31 | C30 | 143.9° | 129.5° |
| C12 | N27 | C28 | C29 | 139.6° | 129.5° |
| C12 | N27 | C28 | H14 | 19.7° | 9.7° |
| C12 | N27 | C28 | H15 | 100.6° | 110.8° |
| N27 | C12 | C9 | H23 | 70.6° | 55.5° |
| N27 | C12 | C9 | H24 | 47.8° | 64.6° |
| C12 | N27 | C31 | H26 | 28.3° | 110.8° |
| N27 | C31 | C30 | H26 | 116.1° | 119.7° |
| C31 | N27 | C28 | C29 | 46.1° | 50.5° |
| N27 | C31 | C30 | O32 | 44.4° | 52.3° |
| C31 | N27 | C28 | H14 | 166.0° | 170.2° |
| C31 | N27 | C28 | H15 | 73.8° | 69.2° |
| N27 | C31 | C30 | H18 | 164.9° | 67.6° |
| N27 | C31 | C30 | H19 | 76.0° | 172.2° |
| C30 | C31 | N27 | C28 | 41.6° | 50.5° |
| C31 | C30 | O32 | H18 | 120.4° | 120.0° |
| C31 | C30 | O32 | H19 | 120.5° | 120.0° |
| C31 | C30 | O32 | C29 | 57.9° | 62.6° |
| C31 | C30 | H18 | H19 | 118.7° | 120.2° |
| N27 | C28 | C29 | H14 | 119.9° | 119.7° |
| N27 | C28 | C29 | H15 | 119.9° | 119.8° |
| N27 | C28 | C29 | O32 | 53.2° | 52.3° |
| N27 | C28 | H14 | H15 | 120.3° | 120.6° |
| N27 | C28 | C29 | H16 | 66.9° | 172.2° |
| N27 | C28 | C29 | H17 | 173.3° | 67.7° |
| C28 | N27 | C31 | H26 | 157.2° | 69.2° |
| C5 | C6 | N4 | C3 | 0.4° | 0.1° |
| C6 | C5 | C10 | C2 | 3.5° | 0.0° |
| C5 | C6 | N7 | H20 | 175.7° | 179.9° |
| C6 | C5 | C10 | H25 | 176.5° | 180.0° |
| N4 | C6 | C5 | C10 | 2.4° | 0.1° |
| C6 | N4 | C3 | C2 | 0.2° | 0.1° |
| C6 | N4 | C3 | H2 | 179.7° | 180.0° |
| N4 | C6 | N7 | H20 | 1.6° | 0.1° |
| C5 | C10 | C2 | H25 | 180.0° | 179.9° |
| C5 | C10 | C2 | C3 | 2.8° | 0.0° |
| C5 | C10 | C2 | H1 | 177.2° | 180.0° |
| C28 | C29 | O32 | C30 | 62.3° | 62.6° |
| C28 | C29 | O32 | H16 | 120.1° | 119.9° |
| C28 | C29 | O32 | H17 | 120.1° | 120.0° |
| C29 | C28 | H14 | H15 | 120.2° | 120.5° |
| C28 | C29 | H16 | H17 | 119.7° | 120.1° |
| C30 | O32 | C29 | H16 | 57.8° | 177.6° |
| C30 | O32 | C29 | H17 | 177.6° | 57.4° |
| O32 | C30 | H18 | H19 | 118.7° | 120.0° |
| O32 | C30 | C31 | H26 | 160.5° | 67.4° |
| N4 | C3 | C2 | C10 | 1.0° | 0.0° |
| N4 | C3 | C2 | H2 | 180.0° | 179.9° |
| N4 | C3 | C2 | H1 | 179.0° | 179.9° |
| O32 | C29 | C28 | H14 | 173.1° | 172.1° |
| O32 | C29 | C28 | H15 | 66.7° | 67.4° |
| O32 | C29 | H16 | H17 | 119.7° | 120.2° |
| C29 | O32 | C30 | H18 | 178.3° | 57.4° |
| C29 | O32 | C30 | H19 | 62.6° | 177.4° |
| C10 | C2 | C3 | H1 | 180.0° | 179.9° |
| C10 | C2 | C3 | H2 | 179.0° | 179.9° |
| C3 | C2 | C10 | H25 | 177.2° | 180.0° |
| H1 | C2 | C3 | H2 | 1.0° | 0.0° |
| H1 | C2 | C10 | H25 | 2.8° | 0.1° |
| H4 | C18 | C19 | H5 | 2.9° | 0.4° |
| H6 | C21 | C22 | H7 | 2.3° | 0.1° |
| H7 | C22 | C23 | H8 | 0.8° | 0.1° |
| H8 | C23 | C24 | H9 | 0.3° | 0.1° |
| H9 | C24 | C25 | H10 | 1.3° | 0.1° |
| H11 | C26 | H12 | H13 | 120.0° | 120.0° |
| H14 | C28 | C29 | H16 | 53.0° | 68.1° |
| H14 | C28 | C29 | H17 | 66.8° | 52.0° |
| H15 | C28 | C29 | H16 | 173.2° | 52.4° |
| H15 | C28 | C29 | H17 | 53.4° | 172.5° |
| H18 | C30 | C31 | H26 | 79.0° | 172.6° |
| H19 | C30 | C31 | H26 | 40.1° | 52.5° |
| H21 | C8 | C9 | H23 | 169.4° | 55.1° |
| H21 | C8 | C9 | H24 | 72.2° | 175.1° |
| H22 | C8 | C9 | H23 | 49.7° | 175.0° |
| H22 | C8 | C9 | H24 | 168.1° | 65.0° |
| H27 | C36 | C37 | H28 | 0.0° | 0.1° |
| H28 | C37 | C38 | H29 | 0.2° | 0.1° |
| H29 | C38 | C39 | H30 | 0.0° | 0.1° |
