X9Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C14 | sing | 1.53Å | 1.50Å | |
| C30 | C14 | sing | 1.53Å | 1.49Å | |
| C14 | N5 | sing | 1.47Å | 1.48Å | |
| N5 | N4 | sing | 1.40Å | 1.37Å | Aromatic |
| N5 | C13 | sing | 1.35Å | 1.36Å | Aromatic |
| C32 | C13 | sing | 1.51Å | 1.49Å | |
| N4 | C12 | doub | 1.31Å | 1.33Å | Aromatic |
| C13 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| C12 | C15 | sing | 1.51Å | 1.49Å | |
| C11 | C10 | sing | 1.48Å | 1.45Å | |
| N2 | C10 | sing | 1.37Å | 1.36Å | Aromatic |
| N2 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| C9 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C9 | C8 | sing | 1.41Å | 1.37Å | Aromatic |
| N3 | C8 | sing | 1.35Å | 1.39Å | Aromatic |
| N1 | C7 | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C1 | sing | 1.48Å | 1.48Å | |
| C21 | C19 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.52Å | 1.52Å | |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C16 | sing | 1.51Å | 1.52Å | |
| C16 | C17 | doub | 1.37Å | 1.41Å | Aromatic |
| C22 | C20 | sing | 1.52Å | 1.52Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.52Å | 1.52Å | |
| C20 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | N6 | sing | 1.46Å | 1.47Å | |
| N6 | C23 | sing | 1.35Å | 1.34Å | |
| C23 | O1 | doub | 1.21Å | 1.23Å | |
| C23 | C24 | sing | 1.48Å | 1.47Å | |
| C24 | N7 | doub | 1.32Å | 1.32Å | Aromatic |
| C24 | O2 | sing | 1.34Å | 1.35Å | Aromatic |
| N7 | C25 | sing | 1.34Å | 1.36Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| O2 | N8 | sing | 1.21Å | 1.42Å | Aromatic |
| C25 | N8 | doub | 1.30Å | 1.29Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | C29 | sing | 1.53Å | 1.53Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | H3 | sing | 0.97Å | 1.00Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C4 | H29 | sing | 1.08Å | 1.08Å | |
| C6 | H30 | sing | 1.08Å | 1.08Å | |
| N2 | H31 | sing | 0.97Å | 1.00Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C14 | C30 | 113.1° | 109.5° |
| C31 | C14 | N5 | 109.4° | 109.5° |
| C31 | C14 | H5 | 108.0° | 109.5° |
| C14 | C31 | H23 | 109.5° | 109.4° |
| C14 | C31 | H24 | 109.5° | 109.4° |
| C14 | C31 | H25 | 109.5° | 109.5° |
| C30 | C14 | N5 | 109.9° | 109.4° |
| C30 | C14 | H5 | 108.0° | 109.5° |
| C14 | C30 | H20 | 109.5° | 109.4° |
| C14 | C30 | H21 | 109.4° | 109.5° |
| C14 | C30 | H22 | 109.4° | 109.5° |
| C14 | N5 | N4 | 119.9° | 125.8° |
| C14 | N5 | C13 | 128.2° | 125.8° |
| N5 | C14 | H5 | 108.3° | 109.5° |
| N4 | N5 | C13 | 111.6° | 108.4° |
| N5 | N4 | C12 | 106.2° | 108.8° |
| N5 | C13 | C32 | 122.8° | 126.3° |
| N5 | C13 | C11 | 106.3° | 107.4° |
| C32 | C13 | C11 | 130.8° | 126.3° |
| C13 | C32 | H26 | 109.5° | 109.6° |
| C13 | C32 | H27 | 109.5° | 109.5° |
| C13 | C32 | H28 | 109.5° | 109.4° |
| N4 | C12 | C11 | 109.8° | 108.1° |
| N4 | C12 | C15 | 120.9° | 126.0° |
| C13 | C11 | C12 | 106.0° | 107.3° |
| C13 | C11 | C10 | 129.1° | 126.3° |
| C11 | C12 | C15 | 129.2° | 125.9° |
| C12 | C11 | C10 | 124.8° | 126.4° |
| C12 | C15 | H6 | 109.5° | 109.5° |
| C12 | C15 | H7 | 109.4° | 109.5° |
| C12 | C15 | H8 | 109.5° | 109.5° |
| C11 | C10 | N2 | 123.3° | 125.1° |
| C11 | C10 | N3 | 123.5° | 125.1° |
| C10 | N2 | C9 | 105.9° | 107.3° |
| N2 | C10 | N3 | 113.0° | 109.7° |
| C10 | N2 | H31 | 127.0° | 126.3° |
| N2 | C9 | N1 | 126.7° | 133.6° |
| N2 | C9 | C8 | 107.1° | 106.0° |
| C9 | N2 | H31 | 127.0° | 126.4° |
| C10 | N3 | C8 | 104.1° | 109.5° |
| N1 | C9 | C8 | 126.2° | 120.4° |
| C9 | N1 | C7 | 114.3° | 121.9° |
| C9 | C8 | N3 | 109.8° | 107.5° |
| C9 | C8 | C5 | 119.7° | 118.9° |
| N3 | C8 | C5 | 130.5° | 133.7° |
| N1 | C7 | C6 | 124.1° | 121.5° |
| N1 | C7 | H4 | 117.9° | 119.2° |
| C8 | C5 | C6 | 115.4° | 117.9° |
| C8 | C5 | C1 | 122.9° | 121.1° |
| C7 | C6 | C5 | 120.3° | 119.4° |
| C6 | C7 | H4 | 118.0° | 119.3° |
| C7 | C6 | H30 | 119.9° | 120.3° |
| C6 | C5 | C1 | 121.4° | 121.0° |
| C5 | C6 | H30 | 119.9° | 120.3° |
| C5 | C1 | C2 | 120.5° | 120.1° |
| C5 | C1 | C3 | 120.6° | 120.1° |
| C19 | C21 | C22 | 112.7° | 111.0° |
| C21 | C19 | C16 | 113.4° | 108.4° |
| C21 | C19 | H9 | 108.5° | 109.6° |
| C21 | C19 | H10 | 108.5° | 109.9° |
| C19 | C21 | H13 | 108.7° | 109.2° |
| C19 | C21 | H14 | 108.7° | 109.2° |
| C21 | C22 | C20 | 114.0° | 114.4° |
| C22 | C21 | H13 | 108.7° | 109.2° |
| C22 | C21 | H14 | 108.6° | 109.2° |
| C21 | C22 | H15 | 108.3° | 108.5° |
| C21 | C22 | H16 | 108.3° | 108.5° |
| C1 | C2 | C16 | 121.7° | 119.5° |
| C2 | C1 | C3 | 118.5° | 119.8° |
| C1 | C2 | H1 | 119.1° | 120.3° |
| C2 | C16 | C19 | 119.6° | 119.4° |
| C2 | C16 | C17 | 119.4° | 120.4° |
| C16 | C2 | H1 | 119.2° | 120.2° |
| C1 | C3 | C4 | 120.7° | 119.9° |
| C1 | C3 | H2 | 119.7° | 120.1° |
| C19 | C16 | C17 | 121.0° | 120.2° |
| C16 | C19 | H9 | 108.5° | 109.6° |
| C16 | C19 | H10 | 108.5° | 109.6° |
| C16 | C17 | C4 | 118.6° | 120.5° |
| C16 | C17 | C18 | 120.5° | 120.1° |
| C22 | C20 | C18 | 114.9° | 111.0° |
| C22 | C20 | H11 | 108.1° | 109.2° |
| C22 | C20 | H12 | 108.1° | 109.1° |
| C20 | C22 | H15 | 108.4° | 108.5° |
| C20 | C22 | H16 | 108.3° | 108.5° |
| C3 | C4 | C17 | 121.0° | 119.8° |
| C4 | C3 | H2 | 119.7° | 120.0° |
| C3 | C4 | H29 | 119.5° | 120.1° |
| C4 | C17 | C18 | 120.9° | 119.4° |
| C17 | C4 | H29 | 119.5° | 120.1° |
| C17 | C18 | C20 | 111.1° | 108.5° |
| C17 | C18 | N6 | 112.2° | 109.6° |
| C17 | C18 | H33 | 107.8° | 109.6° |
| C20 | C18 | N6 | 109.6° | 109.6° |
| C18 | C20 | H11 | 108.1° | 109.2° |
| C18 | C20 | H12 | 108.1° | 109.2° |
| C20 | C18 | H33 | 107.6° | 109.6° |
| C18 | N6 | C23 | 124.1° | 120.0° |
| C18 | N6 | H3 | 118.0° | 120.0° |
| N6 | C18 | H33 | 108.5° | 109.8° |
| N6 | C23 | O1 | 123.5° | 120.0° |
| N6 | C23 | C24 | 115.6° | 120.0° |
| C23 | N6 | H3 | 118.0° | 120.0° |
| O1 | C23 | C24 | 120.9° | 120.0° |
| C23 | C24 | N7 | 128.7° | 126.6° |
| C23 | C24 | O2 | 121.2° | 126.6° |
| N7 | C24 | O2 | 110.0° | 106.7° |
| C24 | N7 | C25 | 107.1° | 105.7° |
| C24 | O2 | N8 | 105.3° | 109.7° |
| N7 | C25 | N8 | 110.2° | 107.6° |
| N7 | C25 | C26 | 124.8° | 126.2° |
| C27 | C26 | C25 | 109.0° | 109.5° |
| C27 | C26 | C28 | 109.7° | 109.4° |
| C27 | C26 | C29 | 109.4° | 109.5° |
| C26 | C27 | H17 | 109.5° | 109.4° |
| C26 | C27 | H18 | 109.5° | 109.4° |
| C26 | C27 | H19 | 109.5° | 109.5° |
| O2 | N8 | C25 | 107.3° | 110.4° |
| N8 | C25 | C26 | 125.0° | 126.2° |
| C25 | C26 | C28 | 109.3° | 109.5° |
| C25 | C26 | C29 | 109.9° | 109.5° |
| C28 | C26 | C29 | 109.6° | 109.5° |
| C26 | C28 | H34 | 109.5° | 109.4° |
| C26 | C28 | H35 | 109.5° | 109.4° |
| C26 | C28 | H36 | 109.5° | 109.5° |
| C26 | C29 | H37 | 109.5° | 109.5° |
| C26 | C29 | H38 | 109.4° | 109.5° |
| C26 | C29 | H39 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.4° |
| H6 | C15 | H8 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.4° |
| H9 | C19 | H10 | 109.5° | 109.7° |
| H11 | C20 | H12 | 109.5° | 109.2° |
| H13 | C21 | H14 | 109.5° | 109.1° |
| H15 | C22 | H16 | 109.5° | 108.3° |
| H17 | C27 | H18 | 109.5° | 109.5° |
| H17 | C27 | H19 | 109.5° | 109.5° |
| H18 | C27 | H19 | 109.5° | 109.5° |
| H20 | C30 | H21 | 109.5° | 109.5° |
| H20 | C30 | H22 | 109.5° | 109.5° |
| H21 | C30 | H22 | 109.5° | 109.5° |
| H23 | C31 | H24 | 109.4° | 109.5° |
| H23 | C31 | H25 | 109.5° | 109.5° |
| H24 | C31 | H25 | 109.4° | 109.5° |
| H26 | C32 | H27 | 109.5° | 109.5° |
| H26 | C32 | H28 | 109.4° | 109.5° |
| H27 | C32 | H28 | 109.5° | 109.4° |
| H34 | C28 | H35 | 109.5° | 109.5° |
| H34 | C28 | H36 | 109.5° | 109.5° |
| H35 | C28 | H36 | 109.5° | 109.5° |
| H37 | C29 | H38 | 109.5° | 109.5° |
| H37 | C29 | H39 | 109.4° | 109.4° |
| H38 | C29 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C14 | C30 | N5 | 122.7° | 120.0° |
| C31 | C14 | C30 | H5 | 119.4° | 120.1° |
| C31 | C14 | N5 | H5 | 117.4° | 120.0° |
| C31 | C14 | N5 | N4 | 87.1° | 60.0° |
| C31 | C14 | N5 | C13 | 87.2° | 119.9° |
| C31 | C14 | C30 | H20 | 180.0° | 60.0° |
| C31 | C14 | C30 | H21 | 60.0° | 180.0° |
| C31 | C14 | C30 | H22 | 60.0° | 59.9° |
| C14 | C31 | H23 | H24 | 120.0° | 120.0° |
| C14 | C31 | H23 | H25 | 120.0° | 120.0° |
| C14 | C31 | H24 | H25 | 120.0° | 120.0° |
| C30 | C14 | N5 | H5 | 117.8° | 120.0° |
| C30 | C14 | N5 | N4 | 37.8° | 60.0° |
| C30 | C14 | N5 | C13 | 148.0° | 120.1° |
| C14 | C30 | H20 | H21 | 120.0° | 120.0° |
| C14 | C30 | H20 | H22 | 120.0° | 120.0° |
| C14 | C30 | H21 | H22 | 120.0° | 120.1° |
| C30 | C14 | C31 | H23 | 180.0° | 180.0° |
| C30 | C14 | C31 | H24 | 60.0° | 60.0° |
| C30 | C14 | C31 | H25 | 60.0° | 60.0° |
| C14 | N5 | N4 | C13 | 175.1° | 179.9° |
| C14 | N5 | C13 | C32 | 4.4° | 0.0° |
| C14 | N5 | N4 | C12 | 177.0° | 180.0° |
| C14 | N5 | C13 | C11 | 177.1° | 179.8° |
| N5 | C14 | C30 | H20 | 57.3° | 180.0° |
| N5 | C14 | C30 | H21 | 177.4° | 60.0° |
| N5 | C14 | C30 | H22 | 62.7° | 60.0° |
| N5 | C14 | C31 | H23 | 57.0° | 60.0° |
| N5 | C14 | C31 | H24 | 63.0° | 180.0° |
| N5 | C14 | C31 | H25 | 177.1° | 59.9° |
| N4 | N5 | C13 | C32 | 179.0° | 179.9° |
| N4 | N5 | C13 | C11 | 2.5° | 0.2° |
| N5 | N4 | C12 | C11 | 0.5° | 0.1° |
| N5 | N4 | C12 | C15 | 178.5° | 179.8° |
| N4 | N5 | C14 | H5 | 155.5° | 180.0° |
| N5 | C13 | C32 | C11 | 178.1° | 179.8° |
| C13 | N5 | N4 | C12 | 1.9° | 0.1° |
| N5 | C13 | C11 | C12 | 2.0° | 0.3° |
| N5 | C13 | C11 | C10 | 177.9° | 180.0° |
| C13 | N5 | C14 | H5 | 30.2° | 0.1° |
| N5 | C13 | C32 | H26 | 89.2° | 89.9° |
| N5 | C13 | C32 | H27 | 150.8° | 30.1° |
| N5 | C13 | C32 | H28 | 30.8° | 150.0° |
| C32 | C13 | C11 | C12 | 179.7° | 179.8° |
| C32 | C13 | C11 | C10 | 3.7° | 0.1° |
| C13 | C32 | H26 | H27 | 120.0° | 120.1° |
| C13 | C32 | H26 | H28 | 120.0° | 120.0° |
| C13 | C32 | H27 | H28 | 120.0° | 119.9° |
| N4 | C12 | C11 | C13 | 0.9° | 0.3° |
| N4 | C12 | C11 | C15 | 178.9° | 180.0° |
| N4 | C12 | C11 | C10 | 177.1° | 180.0° |
| N4 | C12 | C15 | H6 | 0.0° | 96.0° |
| N4 | C12 | C15 | H7 | 120.0° | 24.0° |
| N4 | C12 | C15 | H8 | 120.0° | 144.0° |
| C13 | C11 | C12 | C10 | 176.1° | 179.7° |
| C13 | C11 | C12 | C15 | 179.8° | 179.7° |
| C13 | C11 | C10 | N2 | 20.5° | 173.5° |
| C13 | C11 | C10 | N3 | 165.2° | 6.3° |
| C11 | C13 | C32 | H26 | 88.9° | 89.9° |
| C11 | C13 | C32 | H27 | 31.1° | 150.0° |
| C11 | C13 | C32 | H28 | 151.1° | 30.1° |
| C12 | C11 | C10 | N2 | 154.7° | 6.2° |
| C12 | C11 | C10 | N3 | 19.6° | 174.1° |
| C11 | C12 | C15 | H6 | 178.8° | 84.0° |
| C11 | C12 | C15 | H7 | 61.2° | 156.0° |
| C11 | C12 | C15 | H8 | 58.7° | 36.1° |
| C15 | C12 | C11 | C10 | 4.0° | 0.0° |
| C12 | C15 | H6 | H7 | 120.0° | 120.0° |
| C12 | C15 | H6 | H8 | 120.0° | 120.0° |
| C12 | C15 | H7 | H8 | 120.0° | 120.0° |
| C11 | C10 | N2 | N3 | 174.9° | 179.8° |
| C11 | C10 | N2 | C9 | 177.3° | 180.0° |
| C11 | C10 | N3 | C8 | 176.7° | 180.0° |
| C11 | C10 | N2 | H31 | 2.7° | 0.1° |
| C10 | N2 | C9 | H31 | 180.0° | 180.0° |
| C10 | N2 | C9 | N1 | 179.2° | 180.0° |
| C10 | N2 | C9 | C8 | 1.9° | 0.0° |
| N2 | C10 | N3 | C8 | 1.9° | 0.2° |
| C9 | N2 | C10 | N3 | 2.4° | 0.2° |
| N2 | C9 | N1 | C8 | 178.7° | 180.0° |
| N2 | C9 | C8 | N3 | 0.8° | 0.1° |
| N2 | C9 | N1 | C7 | 179.2° | 180.0° |
| N2 | C9 | C8 | C5 | 179.3° | 179.7° |
| C10 | N3 | C8 | C9 | 0.6° | 0.2° |
| C10 | N3 | C8 | C5 | 177.7° | 179.8° |
| N3 | C10 | N2 | H31 | 177.6° | 179.9° |
| N1 | C9 | C8 | N3 | 179.8° | 179.9° |
| N1 | C9 | C8 | C5 | 1.7° | 0.3° |
| C9 | N1 | C7 | C6 | 0.0° | 0.1° |
| C9 | N1 | C7 | H4 | 180.0° | 179.7° |
| N1 | C9 | N2 | H31 | 0.8° | 0.0° |
| C9 | C8 | N3 | C5 | 178.3° | 179.5° |
| C8 | C9 | N1 | C7 | 0.5° | 0.0° |
| C9 | C8 | C5 | C6 | 2.3° | 0.5° |
| C9 | C8 | C5 | C1 | 176.5° | 180.0° |
| C8 | C9 | N2 | H31 | 178.1° | 180.0° |
| N3 | C8 | C5 | C6 | 179.5° | 180.0° |
| N3 | C8 | C5 | C1 | 5.4° | 0.5° |
| N1 | C7 | C6 | H4 | 180.0° | 179.7° |
| N1 | C7 | C6 | C5 | 0.9° | 0.3° |
| N1 | C7 | C6 | H30 | 179.1° | 179.8° |
| C8 | C5 | C6 | C7 | 1.9° | 0.5° |
| C8 | C5 | C6 | C1 | 174.2° | 179.5° |
| C8 | C5 | C1 | C2 | 34.6° | 130.3° |
| C8 | C5 | C1 | C3 | 137.8° | 50.0° |
| C8 | C5 | C6 | H30 | 178.0° | 179.5° |
| C7 | C6 | C5 | H30 | 180.0° | 179.9° |
| C7 | C6 | C5 | C1 | 176.2° | 180.0° |
| C6 | C5 | C1 | C2 | 151.6° | 50.3° |
| C6 | C5 | C1 | C3 | 36.0° | 129.5° |
| C5 | C6 | C7 | H4 | 179.2° | 180.0° |
| C5 | C1 | C2 | C3 | 172.6° | 179.7° |
| C5 | C1 | C2 | C16 | 176.5° | 179.8° |
| C5 | C1 | C3 | C4 | 176.4° | 179.7° |
| C5 | C1 | C2 | H1 | 3.5° | 0.3° |
| C5 | C1 | C3 | H2 | 3.5° | 0.3° |
| C1 | C5 | C6 | H30 | 3.8° | 0.0° |
| C19 | C21 | C22 | H13 | 120.5° | 120.4° |
| C19 | C21 | C22 | H14 | 120.5° | 120.4° |
| C21 | C19 | C16 | C2 | 111.9° | 109.3° |
| C21 | C19 | C16 | H9 | 120.6° | 119.7° |
| C21 | C19 | C16 | H10 | 120.6° | 119.9° |
| C21 | C19 | C16 | C17 | 66.7° | 70.8° |
| C19 | C21 | C22 | C20 | 64.9° | 68.1° |
| C21 | C19 | H9 | H10 | 118.2° | 120.7° |
| C19 | C21 | H13 | H14 | 118.5° | 119.3° |
| C19 | C21 | C22 | H15 | 55.8° | 170.6° |
| C19 | C21 | C22 | H16 | 174.5° | 53.1° |
| C22 | C21 | C19 | C16 | 82.1° | 85.6° |
| C21 | C22 | C20 | H15 | 120.7° | 121.3° |
| C21 | C22 | C20 | H16 | 120.6° | 121.3° |
| C21 | C22 | C20 | C18 | 66.9° | 68.1° |
| C22 | C21 | C19 | H9 | 157.3° | 34.0° |
| C22 | C21 | C19 | H10 | 38.4° | 154.6° |
| C21 | C22 | C20 | H11 | 172.3° | 171.5° |
| C21 | C22 | C20 | H12 | 53.9° | 52.2° |
| C22 | C21 | H13 | H14 | 118.5° | 119.3° |
| C21 | C22 | H15 | H16 | 117.9° | 117.6° |
| C1 | C2 | C16 | H1 | 180.0° | 179.9° |
| C1 | C2 | C16 | C19 | 179.0° | 179.8° |
| C1 | C2 | C16 | C17 | 2.5° | 0.0° |
| C2 | C1 | C3 | C4 | 3.9° | 0.0° |
| C2 | C1 | C3 | H2 | 176.1° | 180.0° |
| C16 | C2 | C1 | C3 | 3.9° | 0.1° |
| C2 | C16 | C19 | C17 | 178.5° | 179.9° |
| C2 | C16 | C17 | C4 | 1.0° | 0.1° |
| C2 | C16 | C17 | C18 | 178.8° | 180.0° |
| C2 | C16 | C19 | H9 | 8.7° | 131.0° |
| C2 | C16 | C19 | H10 | 127.6° | 10.6° |
| C1 | C3 | C4 | H2 | 180.0° | 180.0° |
| C1 | C3 | C4 | C17 | 2.5° | 0.1° |
| C3 | C1 | C2 | H1 | 176.1° | 180.0° |
| C1 | C3 | C4 | H29 | 177.5° | 180.0° |
| C19 | C16 | C17 | C4 | 179.5° | 179.9° |
| C19 | C16 | C17 | C18 | 0.3° | 0.1° |
| C19 | C16 | C2 | H1 | 1.0° | 0.1° |
| C16 | C19 | H9 | H10 | 118.2° | 120.4° |
| C16 | C19 | C21 | H13 | 157.4° | 154.0° |
| C16 | C19 | C21 | H14 | 38.3° | 34.8° |
| C16 | C17 | C4 | C3 | 1.0° | 0.1° |
| C16 | C17 | C4 | C18 | 179.8° | 179.9° |
| C16 | C17 | C18 | C20 | 64.6° | 70.6° |
| C16 | C17 | C18 | N6 | 172.4° | 169.7° |
| C17 | C16 | C2 | H1 | 177.5° | 180.0° |
| C17 | C16 | C19 | H9 | 172.8° | 48.9° |
| C17 | C16 | C19 | H10 | 53.9° | 169.3° |
| C16 | C17 | C4 | H29 | 179.0° | 180.0° |
| C16 | C17 | C18 | H33 | 53.0° | 49.1° |
| C22 | C20 | C18 | C17 | 82.6° | 85.6° |
| C22 | C20 | C18 | H11 | 120.8° | 120.4° |
| C22 | C20 | C18 | H12 | 120.8° | 120.3° |
| C22 | C20 | C18 | N6 | 152.9° | 154.7° |
| C22 | C20 | H11 | H12 | 117.5° | 119.3° |
| C20 | C22 | C21 | H13 | 174.6° | 171.5° |
| C20 | C22 | C21 | H14 | 55.6° | 52.3° |
| C20 | C22 | H15 | H16 | 118.0° | 117.5° |
| C22 | C20 | C18 | H33 | 35.1° | 34.1° |
| C3 | C4 | C17 | H29 | 180.0° | 179.9° |
| C3 | C4 | C17 | C18 | 178.8° | 179.9° |
| C4 | C17 | C18 | C20 | 115.2° | 109.3° |
| C4 | C17 | C18 | N6 | 7.9° | 10.3° |
| C17 | C4 | C3 | H2 | 177.5° | 180.0° |
| C4 | C17 | C18 | H33 | 127.2° | 131.0° |
| C17 | C18 | C20 | N6 | 124.6° | 119.7° |
| C17 | C18 | C20 | H33 | 117.7° | 119.7° |
| C17 | C18 | N6 | H33 | 118.9° | 120.5° |
| C17 | C18 | N6 | C23 | 77.1° | 86.0° |
| C17 | C18 | N6 | H3 | 102.9° | 94.0° |
| C17 | C18 | C20 | H11 | 156.7° | 154.0° |
| C17 | C18 | C20 | H12 | 38.2° | 34.7° |
| C18 | C17 | C4 | H29 | 1.2° | 0.0° |
| C20 | C18 | N6 | H33 | 117.2° | 120.5° |
| C20 | C18 | N6 | C23 | 159.0° | 155.0° |
| C20 | C18 | N6 | H3 | 21.0° | 25.0° |
| C18 | C20 | H11 | H12 | 117.5° | 119.3° |
| C18 | C20 | C22 | H15 | 53.8° | 170.6° |
| C18 | C20 | C22 | H16 | 172.5° | 53.1° |
| C18 | N6 | C23 | H3 | 180.0° | 180.0° |
| C18 | N6 | C23 | O1 | 6.4° | 0.0° |
| C18 | N6 | C23 | C24 | 174.9° | 180.0° |
| N6 | C18 | C20 | H11 | 32.1° | 34.3° |
| N6 | C18 | C20 | H12 | 86.3° | 85.0° |
| N6 | C23 | O1 | C24 | 178.6° | 179.9° |
| N6 | C23 | C24 | N7 | 20.1° | 180.0° |
| N6 | C23 | C24 | O2 | 159.1° | 0.3° |
| C23 | N6 | C18 | H33 | 41.8° | 34.5° |
| O1 | C23 | C24 | N7 | 161.2° | 0.1° |
| O1 | C23 | C24 | O2 | 19.6° | 179.7° |
| O1 | C23 | N6 | H3 | 173.5° | 180.0° |
| C23 | C24 | N7 | O2 | 179.2° | 179.8° |
| C23 | C24 | N7 | C25 | 179.6° | 179.8° |
| C23 | C24 | O2 | N8 | 179.8° | 179.7° |
| C24 | C23 | N6 | H3 | 5.1° | 0.0° |
| N7 | C24 | O2 | N8 | 0.9° | 0.1° |
| C24 | N7 | C25 | N8 | 1.0° | 0.0° |
| C24 | N7 | C25 | C26 | 179.9° | 180.0° |
| O2 | C24 | N7 | C25 | 1.1° | 0.0° |
| C24 | O2 | N8 | C25 | 0.3° | 0.1° |
| N7 | C25 | C26 | C27 | 64.1° | 60.0° |
| N7 | C25 | N8 | O2 | 0.4° | 0.0° |
| N7 | C25 | N8 | C26 | 179.1° | 180.0° |
| N7 | C25 | C26 | C28 | 55.8° | 60.0° |
| N7 | C25 | C26 | C29 | 176.0° | 180.0° |
| C27 | C26 | C25 | N8 | 114.9° | 120.0° |
| C27 | C26 | C25 | C28 | 119.9° | 120.0° |
| C27 | C26 | C25 | C29 | 119.9° | 120.0° |
| C27 | C26 | C28 | C29 | 120.1° | 120.0° |
| C26 | C27 | H17 | H18 | 120.0° | 120.0° |
| C26 | C27 | H17 | H19 | 120.0° | 120.0° |
| C26 | C27 | H18 | H19 | 120.0° | 120.0° |
| C27 | C26 | C28 | H34 | 180.0° | 60.0° |
| C27 | C26 | C28 | H35 | 60.0° | 180.0° |
| C27 | C26 | C28 | H36 | 60.0° | 60.0° |
| C27 | C26 | C29 | H37 | 180.0° | 60.0° |
| C27 | C26 | C29 | H38 | 60.0° | 180.0° |
| C27 | C26 | C29 | H39 | 60.0° | 60.0° |
| O2 | N8 | C25 | C26 | 179.5° | 180.0° |
| N8 | C25 | C26 | C28 | 125.2° | 120.1° |
| N8 | C25 | C26 | C29 | 5.0° | 0.1° |
| C25 | C26 | C28 | C29 | 120.4° | 120.0° |
| C25 | C26 | C27 | H17 | 180.0° | 60.0° |
| C25 | C26 | C27 | H18 | 60.0° | 180.0° |
| C25 | C26 | C27 | H19 | 60.0° | 60.0° |
| C25 | C26 | C28 | H34 | 60.5° | 180.0° |
| C25 | C26 | C28 | H35 | 59.5° | 60.0° |
| C25 | C26 | C28 | H36 | 179.5° | 60.0° |
| C25 | C26 | C29 | H37 | 60.3° | 60.0° |
| C25 | C26 | C29 | H38 | 179.7° | 60.0° |
| C25 | C26 | C29 | H39 | 59.7° | 180.0° |
| C28 | C26 | C27 | H17 | 60.4° | 180.0° |
| C28 | C26 | C27 | H18 | 59.6° | 60.0° |
| C28 | C26 | C27 | H19 | 179.6° | 60.0° |
| C26 | C28 | H34 | H35 | 120.0° | 120.0° |
| C26 | C28 | H34 | H36 | 120.0° | 120.0° |
| C26 | C28 | H35 | H36 | 120.0° | 120.0° |
| C28 | C26 | C29 | H37 | 59.7° | 180.0° |
| C28 | C26 | C29 | H38 | 60.3° | 60.0° |
| C28 | C26 | C29 | H39 | 179.7° | 60.0° |
| C29 | C26 | C27 | H17 | 59.8° | 60.0° |
| C29 | C26 | C27 | H18 | 179.8° | 60.0° |
| C29 | C26 | C27 | H19 | 60.2° | 180.0° |
| C29 | C26 | C28 | H34 | 59.9° | 60.0° |
| C29 | C26 | C28 | H35 | 179.9° | 60.0° |
| C29 | C26 | C28 | H36 | 60.1° | 180.0° |
| C26 | C29 | H37 | H38 | 120.0° | 120.0° |
| C26 | C29 | H37 | H39 | 120.0° | 120.0° |
| C26 | C29 | H38 | H39 | 120.0° | 120.1° |
| H2 | C3 | C4 | H29 | 2.5° | 0.0° |
| H3 | N6 | C18 | H33 | 138.2° | 145.5° |
| H4 | C7 | C6 | H30 | 0.8° | 0.1° |
| H5 | C14 | C30 | H20 | 60.6° | 60.0° |
| H5 | C14 | C30 | H21 | 59.4° | 60.0° |
| H5 | C14 | C30 | H22 | 179.4° | 180.0° |
| H5 | C14 | C31 | H23 | 60.6° | 60.0° |
| H5 | C14 | C31 | H24 | 179.4° | 60.0° |
| H5 | C14 | C31 | H25 | 59.5° | 179.9° |
| H6 | C15 | H7 | H8 | 120.0° | 120.0° |
| H9 | C19 | C21 | H13 | 36.8° | 86.3° |
| H9 | C19 | C21 | H14 | 82.2° | 154.4° |
| H10 | C19 | C21 | H13 | 82.0° | 34.2° |
| H10 | C19 | C21 | H14 | 158.9° | 85.0° |
| H11 | C20 | C22 | H15 | 67.0° | 50.2° |
| H11 | C20 | C22 | H16 | 51.7° | 67.3° |
| H11 | C20 | C18 | H33 | 85.7° | 86.3° |
| H12 | C20 | C22 | H15 | 174.6° | 69.1° |
| H12 | C20 | C22 | H16 | 66.7° | 173.5° |
| H12 | C20 | C18 | H33 | 155.9° | 154.4° |
| H13 | C21 | C22 | H15 | 64.7° | 50.2° |
| H13 | C21 | C22 | H16 | 54.0° | 67.2° |
| H14 | C21 | C22 | H15 | 176.3° | 69.0° |
| H14 | C21 | C22 | H16 | 65.0° | 173.5° |
| H17 | C27 | H18 | H19 | 120.0° | 120.1° |
| H20 | C30 | H21 | H22 | 120.0° | 120.0° |
| H23 | C31 | H24 | H25 | 120.0° | 120.0° |
| H26 | C32 | H27 | H28 | 120.0° | 120.0° |
| H34 | C28 | H35 | H36 | 120.0° | 120.1° |
| H37 | C29 | H38 | H39 | 119.9° | 119.9° |
