JT8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C16 | N | sing | 1.36Å | 1.34Å | |
| C16 | O3 | doub | 1.21Å | 1.21Å | |
| N | C7 | sing | 1.48Å | 1.45Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| O8 | C8 | sing | 1.43Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.51Å | 1.49Å | |
| O1 | C10 | doub | 1.21Å | 1.22Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C10 | N1 | sing | 1.35Å | 1.35Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| N1 | C11 | sing | 1.46Å | 1.46Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C11 | C13 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C12 | N2 | sing | 1.37Å | 1.35Å | |
| C12 | O2 | doub | 1.21Å | 1.20Å | |
| C13 | C15 | sing | 1.51Å | 1.52Å | |
| N2 | C29 | sing | 1.48Å | 1.45Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| N15 | C15 | doub | 1.32Å | 1.40Å | Aromatic |
| N15 | C31 | sing | 1.32Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C33 | doub | 1.39Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C33 | H15 | sing | 1.08Å | 1.08Å | |
| C32 | H16 | sing | 1.08Å | 1.08Å | |
| C31 | H17 | sing | 1.08Å | 1.08Å | |
| O8 | H18 | sing | 0.97Å | 0.95Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C19 | H39 | sing | 1.09Å | 1.10Å | |
| C19 | H40 | sing | 1.09Å | 1.10Å | |
| C18 | H41 | sing | 1.09Å | 1.10Å | |
| C18 | H42 | sing | 1.09Å | 1.10Å | |
| C17 | H43 | sing | 1.09Å | 1.10Å | |
| C17 | H44 | sing | 1.09Å | 1.10Å | |
| N | H45 | sing | 0.97Å | 1.00Å | |
| C | H46 | sing | 1.08Å | 1.08Å | |
| C2 | H47 | sing | 1.08Å | 1.08Å | |
| C1 | H48 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C | 119.9° | 120.0° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C1 | C2 | H47 | 120.0° | 120.0° |
| C2 | C1 | H48 | 120.1° | 120.0° |
| C1 | C | C5 | 121.0° | 120.0° |
| C1 | C | H46 | 119.5° | 120.0° |
| C | C1 | H48 | 120.1° | 120.0° |
| C2 | C3 | C4 | 120.7° | 120.0° |
| C2 | C3 | H14 | 119.7° | 119.9° |
| C3 | C2 | H47 | 120.0° | 120.0° |
| C | C5 | C4 | 118.9° | 120.0° |
| C | C5 | C6 | 119.2° | 120.0° |
| C5 | C | H46 | 119.5° | 120.0° |
| C3 | C4 | C5 | 119.7° | 120.0° |
| C3 | C4 | H1 | 120.2° | 120.0° |
| C4 | C3 | H14 | 119.7° | 120.1° |
| C18 | C17 | C16 | 112.5° | 109.5° |
| C17 | C18 | C19 | 108.0° | 109.5° |
| C17 | C18 | H41 | 109.8° | 109.5° |
| C17 | C18 | H42 | 109.8° | 109.5° |
| C18 | C17 | H43 | 108.7° | 109.5° |
| C18 | C17 | H44 | 108.7° | 109.5° |
| C17 | C16 | N | 116.3° | 119.2° |
| C17 | C16 | O3 | 122.7° | 120.4° |
| C16 | C17 | H43 | 108.7° | 109.5° |
| C16 | C17 | H44 | 108.7° | 109.5° |
| C18 | C19 | C20 | 112.0° | 109.5° |
| C18 | C19 | H39 | 108.8° | 109.5° |
| C18 | C19 | H40 | 108.9° | 109.5° |
| C19 | C18 | H41 | 109.8° | 109.5° |
| C19 | C18 | H42 | 109.8° | 109.4° |
| C4 | C5 | C6 | 121.9° | 120.0° |
| C5 | C4 | H1 | 120.2° | 120.0° |
| C5 | C6 | C7 | 114.7° | 109.4° |
| C5 | C6 | H3 | 108.1° | 109.5° |
| C5 | C6 | H4 | 108.1° | 109.5° |
| N | C16 | O3 | 120.8° | 120.4° |
| C16 | N | C7 | 126.2° | 116.5° |
| C16 | N | H45 | 116.9° | 121.7° |
| N | C7 | C6 | 108.1° | 109.6° |
| N | C7 | C8 | 111.9° | 108.9° |
| N | C7 | H6 | 109.6° | 109.5° |
| C7 | N | H45 | 116.9° | 121.8° |
| C19 | C20 | C21 | 107.3° | 109.5° |
| C19 | C20 | H37 | 110.0° | 109.4° |
| C19 | C20 | H38 | 110.0° | 109.5° |
| C20 | C19 | H39 | 108.8° | 109.4° |
| C20 | C19 | H40 | 108.8° | 109.5° |
| C6 | C7 | C8 | 110.2° | 109.6° |
| C7 | C6 | H3 | 108.1° | 109.5° |
| C7 | C6 | H4 | 108.2° | 109.5° |
| C6 | C7 | H6 | 108.4° | 109.5° |
| C20 | C21 | C22 | 115.4° | 109.5° |
| C20 | C21 | H35 | 108.0° | 109.5° |
| C20 | C21 | H36 | 108.0° | 109.5° |
| C21 | C20 | H37 | 110.0° | 109.4° |
| C21 | C20 | H38 | 110.0° | 109.4° |
| C7 | C8 | O8 | 109.5° | 109.5° |
| C7 | C8 | C9 | 113.7° | 109.5° |
| C8 | C7 | H6 | 108.5° | 109.7° |
| C7 | C8 | H7 | 107.9° | 109.4° |
| O8 | C8 | C9 | 108.4° | 109.5° |
| O8 | C8 | H7 | 109.2° | 109.5° |
| C8 | O8 | H18 | 109.5° | 114.0° |
| C21 | C22 | C23 | 114.5° | 109.5° |
| C21 | C22 | H33 | 108.2° | 109.5° |
| C21 | C22 | H34 | 108.2° | 109.5° |
| C22 | C21 | H35 | 108.0° | 109.5° |
| C22 | C21 | H36 | 107.9° | 109.5° |
| C8 | C9 | C10 | 110.1° | 109.5° |
| C9 | C8 | H7 | 108.1° | 109.5° |
| C8 | C9 | H8 | 109.3° | 109.5° |
| C8 | C9 | H9 | 109.3° | 109.5° |
| C22 | C23 | C24 | 109.7° | 109.5° |
| C22 | C23 | H31 | 109.4° | 109.5° |
| C22 | C23 | H32 | 109.4° | 109.5° |
| C23 | C22 | H33 | 108.2° | 109.5° |
| C23 | C22 | H34 | 108.2° | 109.4° |
| C9 | C10 | O1 | 122.8° | 120.0° |
| C9 | C10 | N1 | 115.9° | 120.0° |
| C10 | C9 | H8 | 109.3° | 109.5° |
| C10 | C9 | H9 | 109.3° | 109.5° |
| O1 | C10 | N1 | 121.2° | 120.0° |
| C23 | C24 | C25 | 115.1° | 109.5° |
| C23 | C24 | H29 | 108.0° | 109.5° |
| C23 | C24 | H30 | 108.0° | 109.5° |
| C24 | C23 | H31 | 109.4° | 109.5° |
| C24 | C23 | H32 | 109.4° | 109.5° |
| C10 | N1 | C11 | 124.0° | 120.2° |
| C10 | N1 | H12 | 118.0° | 119.9° |
| C24 | C25 | C26 | 118.1° | 109.5° |
| C24 | C25 | H27 | 107.3° | 109.5° |
| C24 | C25 | H28 | 107.3° | 109.4° |
| C25 | C24 | H29 | 108.0° | 109.4° |
| C25 | C24 | H30 | 108.1° | 109.4° |
| N1 | C11 | C12 | 111.2° | 109.6° |
| N1 | C11 | C13 | 110.8° | 109.4° |
| N1 | C11 | H5 | 108.9° | 109.4° |
| C11 | N1 | H12 | 118.0° | 119.9° |
| C12 | C11 | C13 | 110.4° | 109.4° |
| C11 | C12 | N2 | 117.4° | 118.6° |
| C11 | C12 | O2 | 120.1° | 120.7° |
| C12 | C11 | H5 | 107.7° | 109.5° |
| C11 | C13 | C15 | 113.4° | 109.5° |
| C13 | C11 | H5 | 107.8° | 109.4° |
| C11 | C13 | H10 | 108.5° | 109.5° |
| C11 | C13 | H11 | 108.5° | 109.5° |
| C25 | C26 | C27 | 116.3° | 109.5° |
| C25 | C26 | H25 | 107.7° | 109.5° |
| C25 | C26 | H26 | 107.8° | 109.5° |
| C26 | C25 | H27 | 107.3° | 109.5° |
| C26 | C25 | H28 | 107.3° | 109.5° |
| C26 | C27 | C28 | 118.1° | 109.5° |
| C26 | C27 | H23 | 107.3° | 109.4° |
| C26 | C27 | H24 | 107.3° | 109.4° |
| C27 | C26 | H25 | 107.7° | 109.5° |
| C27 | C26 | H26 | 107.7° | 109.5° |
| C27 | C28 | C29 | 114.0° | 109.4° |
| C27 | C28 | H21 | 108.3° | 109.5° |
| C27 | C28 | H22 | 108.3° | 109.5° |
| C28 | C27 | H23 | 107.3° | 109.5° |
| C28 | C27 | H24 | 107.3° | 109.5° |
| N2 | C12 | O2 | 122.4° | 120.7° |
| C12 | N2 | C29 | 127.1° | 115.4° |
| C12 | N2 | H13 | 116.4° | 122.3° |
| C13 | C15 | N15 | 119.8° | 119.6° |
| C13 | C15 | C14 | 119.9° | 119.6° |
| C15 | C13 | H10 | 108.5° | 109.4° |
| C15 | C13 | H11 | 108.5° | 109.4° |
| N2 | C29 | C28 | 111.5° | 108.6° |
| C29 | N2 | H13 | 116.4° | 122.3° |
| N2 | C29 | H19 | 109.0° | 109.6° |
| N2 | C29 | H20 | 109.0° | 109.6° |
| C28 | C29 | H19 | 109.0° | 109.7° |
| C28 | C29 | H20 | 109.0° | 109.7° |
| C29 | C28 | H21 | 108.3° | 109.5° |
| C29 | C28 | H22 | 108.3° | 109.4° |
| C15 | N15 | C31 | 117.5° | 121.7° |
| N15 | C15 | C14 | 120.3° | 120.8° |
| N15 | C31 | C32 | 123.1° | 120.8° |
| N15 | C31 | H17 | 118.4° | 119.6° |
| C15 | C14 | C33 | 120.7° | 119.2° |
| C15 | C14 | H2 | 119.7° | 120.4° |
| C31 | C32 | C33 | 118.9° | 119.1° |
| C31 | C32 | H16 | 120.6° | 120.4° |
| C32 | C31 | H17 | 118.5° | 119.6° |
| C14 | C33 | C32 | 119.6° | 118.4° |
| C33 | C14 | H2 | 119.7° | 120.4° |
| C14 | C33 | H15 | 120.2° | 120.8° |
| C32 | C33 | H15 | 120.2° | 120.8° |
| C33 | C32 | H16 | 120.5° | 120.4° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.4° |
| H10 | C13 | H11 | 109.5° | 109.4° |
| H19 | C29 | H20 | 109.5° | 109.6° |
| H21 | C28 | H22 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.4° |
| H25 | C26 | H26 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.4° | 109.4° |
| H29 | C24 | H30 | 109.5° | 109.5° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| H33 | C22 | H34 | 109.4° | 109.5° |
| H35 | C21 | H36 | 109.5° | 109.4° |
| H37 | C20 | H38 | 109.5° | 109.5° |
| H39 | C19 | H40 | 109.5° | 109.5° |
| H41 | C18 | H42 | 109.5° | 109.4° |
| H43 | C17 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C | H48 | 180.0° | 179.7° |
| C1 | C2 | C3 | H47 | 180.0° | 180.0° |
| C2 | C1 | C | C5 | 0.2° | 0.3° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H14 | 179.8° | 180.0° |
| C2 | C1 | C | H46 | 179.8° | 179.7° |
| C | C1 | C2 | C3 | 0.1° | 0.3° |
| C1 | C | C5 | H46 | 180.0° | 180.0° |
| C1 | C | C5 | C4 | 0.3° | 0.0° |
| C1 | C | C5 | C6 | 179.1° | 180.0° |
| C | C1 | C2 | H47 | 179.9° | 179.7° |
| C2 | C3 | C4 | H14 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.2° |
| C2 | C3 | C4 | H1 | 179.8° | 180.0° |
| C3 | C2 | C1 | H48 | 179.9° | 180.0° |
| C | C5 | C4 | C3 | 0.3° | 0.2° |
| C | C5 | C4 | C6 | 178.7° | 180.0° |
| C | C5 | C6 | C7 | 88.9° | 95.8° |
| C | C5 | C4 | H1 | 179.7° | 180.0° |
| C | C5 | C6 | H3 | 150.4° | 24.2° |
| C | C5 | C6 | H4 | 31.9° | 144.2° |
| C5 | C | C1 | H48 | 179.8° | 180.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 179.0° | 179.7° |
| C4 | C3 | C2 | H47 | 179.9° | 180.0° |
| C18 | C17 | C16 | H43 | 120.5° | 120.0° |
| C18 | C17 | C16 | H44 | 120.4° | 120.0° |
| C17 | C18 | C19 | H41 | 119.8° | 120.1° |
| C17 | C18 | C19 | H42 | 119.8° | 120.0° |
| C18 | C17 | C16 | N | 132.1° | 128.6° |
| C18 | C17 | C16 | O3 | 51.4° | 51.4° |
| C17 | C18 | C19 | C20 | 176.2° | 12.6° |
| C17 | C18 | C19 | H39 | 63.4° | 132.5° |
| C17 | C18 | C19 | H40 | 55.9° | 107.5° |
| C17 | C18 | H41 | H42 | 120.7° | 120.0° |
| C18 | C17 | H43 | H44 | 118.7° | 120.0° |
| C16 | C17 | C18 | C19 | 56.2° | 107.8° |
| C17 | C16 | N | O3 | 176.6° | 180.0° |
| C17 | C16 | N | C7 | 170.4° | 179.7° |
| C16 | C17 | C18 | H41 | 175.9° | 12.3° |
| C16 | C17 | C18 | H42 | 63.6° | 132.2° |
| C16 | C17 | H43 | H44 | 118.6° | 120.0° |
| C17 | C16 | N | H45 | 9.6° | 0.2° |
| C18 | C19 | C20 | H39 | 120.4° | 120.0° |
| C18 | C19 | C20 | H40 | 120.4° | 120.0° |
| C18 | C19 | C20 | C21 | 166.4° | 140.3° |
| C18 | C19 | C20 | H37 | 46.7° | 99.8° |
| C18 | C19 | C20 | H38 | 73.9° | 20.3° |
| C18 | C19 | H39 | H40 | 118.9° | 120.0° |
| C19 | C18 | H41 | H42 | 120.7° | 119.9° |
| C19 | C18 | C17 | H43 | 176.6° | 132.3° |
| C19 | C18 | C17 | H44 | 64.3° | 12.2° |
| C4 | C5 | C6 | C7 | 92.4° | 84.2° |
| C4 | C5 | C6 | H3 | 28.4° | 155.8° |
| C4 | C5 | C6 | H4 | 146.8° | 35.8° |
| C5 | C4 | C3 | H14 | 179.7° | 179.7° |
| C4 | C5 | C | H46 | 179.7° | 180.0° |
| C5 | C6 | C7 | N | 59.5° | 55.9° |
| C5 | C6 | C7 | H3 | 120.8° | 120.0° |
| C5 | C6 | C7 | H4 | 120.8° | 120.0° |
| C5 | C6 | C7 | C8 | 177.9° | 63.5° |
| C6 | C5 | C4 | H1 | 1.0° | 0.0° |
| C5 | C6 | H3 | H4 | 117.6° | 120.0° |
| C5 | C6 | C7 | H6 | 59.2° | 176.1° |
| C6 | C5 | C | H46 | 0.9° | 0.0° |
| C16 | N | C7 | H45 | 180.0° | 180.0° |
| C16 | N | C7 | C6 | 105.1° | 51.8° |
| C16 | N | C7 | C8 | 133.3° | 171.6° |
| C16 | N | C7 | H6 | 12.9° | 68.4° |
| N | C16 | C17 | H43 | 107.5° | 8.6° |
| N | C16 | C17 | H44 | 11.6° | 111.4° |
| O3 | C16 | N | C7 | 6.2° | 0.3° |
| O3 | C16 | C17 | H43 | 69.1° | 171.4° |
| O3 | C16 | C17 | H44 | 171.8° | 68.6° |
| O3 | C16 | N | H45 | 173.8° | 179.8° |
| N | C7 | C6 | C8 | 122.6° | 119.5° |
| N | C7 | C6 | H6 | 118.8° | 120.2° |
| N | C7 | C8 | H6 | 121.1° | 119.9° |
| N | C7 | C8 | O8 | 51.5° | 64.7° |
| N | C7 | C8 | C9 | 69.9° | 175.2° |
| N | C7 | C6 | H3 | 179.7° | 64.0° |
| N | C7 | C6 | H4 | 61.2° | 175.9° |
| N | C7 | C8 | H7 | 170.2° | 55.3° |
| C19 | C20 | C21 | H37 | 119.7° | 119.9° |
| C19 | C20 | C21 | H38 | 119.6° | 120.1° |
| C19 | C20 | C21 | C22 | 60.2° | 161.0° |
| C19 | C20 | C21 | H35 | 60.7° | 79.0° |
| C19 | C20 | C21 | H36 | 179.0° | 40.9° |
| C19 | C20 | H37 | H38 | 121.0° | 120.1° |
| C20 | C19 | H39 | H40 | 118.8° | 120.0° |
| C20 | C19 | C18 | H41 | 56.5° | 107.5° |
| C20 | C19 | C18 | H42 | 64.0° | 132.6° |
| C6 | C7 | C8 | H6 | 118.6° | 120.3° |
| C6 | C7 | C8 | O8 | 68.8° | 175.4° |
| C6 | C7 | C8 | C9 | 169.8° | 55.4° |
| C7 | C6 | H3 | H4 | 117.6° | 120.0° |
| C6 | C7 | C8 | H7 | 49.9° | 64.6° |
| C6 | C7 | N | H45 | 74.9° | 128.2° |
| C20 | C21 | C22 | H35 | 120.9° | 120.0° |
| C20 | C21 | C22 | H36 | 120.9° | 120.0° |
| C20 | C21 | C22 | C23 | 89.7° | 93.3° |
| C20 | C21 | C22 | H33 | 31.0° | 146.7° |
| C20 | C21 | C22 | H34 | 149.5° | 26.7° |
| C20 | C21 | H35 | H36 | 117.3° | 120.0° |
| C21 | C20 | H37 | H38 | 121.0° | 120.0° |
| C21 | C20 | C19 | H39 | 73.2° | 20.3° |
| C21 | C20 | C19 | H40 | 46.0° | 99.7° |
| C7 | C8 | O8 | C9 | 124.5° | 120.0° |
| C7 | C8 | O8 | H7 | 118.0° | 120.0° |
| C7 | C8 | C9 | H7 | 119.8° | 120.0° |
| C7 | C8 | C9 | C10 | 71.1° | 58.6° |
| C8 | C7 | C6 | H3 | 57.1° | 176.5° |
| C8 | C7 | C6 | H4 | 61.4° | 56.5° |
| C7 | C8 | C9 | H8 | 168.8° | 61.4° |
| C7 | C8 | C9 | H9 | 49.0° | 178.6° |
| C7 | C8 | O8 | H18 | 180.0° | 180.0° |
| C8 | C7 | N | H45 | 46.7° | 8.3° |
| O8 | C8 | C9 | H7 | 118.2° | 120.0° |
| O8 | C8 | C9 | C10 | 166.9° | 61.4° |
| O8 | C8 | C7 | H6 | 172.6° | 55.1° |
| O8 | C8 | C9 | H8 | 46.8° | 178.5° |
| O8 | C8 | C9 | H9 | 73.0° | 58.6° |
| C21 | C22 | C23 | H33 | 120.8° | 120.0° |
| C21 | C22 | C23 | H34 | 120.8° | 120.0° |
| C21 | C22 | C23 | C24 | 157.8° | 152.1° |
| C21 | C22 | C23 | H31 | 82.2° | 88.0° |
| C21 | C22 | C23 | H32 | 37.8° | 32.1° |
| C21 | C22 | H33 | H34 | 117.7° | 120.1° |
| C22 | C21 | H35 | H36 | 117.3° | 120.0° |
| C22 | C21 | C20 | H37 | 179.8° | 41.0° |
| C22 | C21 | C20 | H38 | 59.5° | 79.0° |
| C8 | C9 | C10 | H8 | 120.1° | 120.1° |
| C8 | C9 | C10 | H9 | 120.1° | 120.0° |
| C8 | C9 | C10 | O1 | 101.1° | 45.5° |
| C8 | C9 | C10 | N1 | 81.4° | 134.6° |
| C9 | C8 | C7 | H6 | 51.2° | 64.9° |
| C8 | C9 | H8 | H9 | 119.7° | 120.0° |
| C9 | C8 | O8 | H18 | 55.5° | 60.0° |
| C22 | C23 | C24 | H31 | 120.0° | 120.0° |
| C22 | C23 | C24 | H32 | 120.0° | 120.0° |
| C22 | C23 | C24 | C25 | 159.0° | 160.6° |
| C22 | C23 | C24 | H29 | 80.2° | 79.4° |
| C22 | C23 | C24 | H30 | 38.2° | 40.7° |
| C22 | C23 | H31 | H32 | 119.9° | 120.0° |
| C23 | C22 | H33 | H34 | 117.7° | 120.0° |
| C23 | C22 | C21 | H35 | 149.4° | 26.7° |
| C23 | C22 | C21 | H36 | 31.2° | 146.7° |
| C9 | C10 | O1 | N1 | 177.3° | 179.9° |
| C9 | C10 | N1 | C11 | 173.0° | 179.2° |
| C10 | C9 | C8 | H7 | 48.6° | 178.6° |
| C10 | C9 | H8 | H9 | 119.7° | 120.0° |
| C9 | C10 | N1 | H12 | 7.0° | 0.9° |
| O1 | C10 | N1 | C11 | 4.5° | 0.7° |
| O1 | C10 | C9 | H8 | 138.8° | 165.5° |
| O1 | C10 | C9 | H9 | 19.0° | 74.5° |
| O1 | C10 | N1 | H12 | 175.5° | 179.2° |
| C23 | C24 | C25 | H29 | 120.8° | 120.0° |
| C23 | C24 | C25 | H30 | 120.8° | 120.0° |
| C23 | C24 | C25 | C26 | 117.4° | 82.6° |
| C23 | C24 | C25 | H27 | 121.3° | 157.3° |
| C23 | C24 | C25 | H28 | 3.9° | 37.3° |
| C23 | C24 | H29 | H30 | 117.4° | 120.1° |
| C24 | C23 | H31 | H32 | 119.9° | 120.0° |
| C24 | C23 | C22 | H33 | 37.0° | 32.1° |
| C24 | C23 | C22 | H34 | 81.5° | 87.9° |
| C10 | N1 | C11 | H12 | 180.0° | 179.9° |
| C10 | N1 | C11 | C12 | 63.4° | 50.3° |
| C10 | N1 | C11 | C13 | 173.5° | 69.7° |
| C10 | N1 | C11 | H5 | 55.1° | 170.4° |
| N1 | C10 | C9 | H8 | 38.7° | 14.6° |
| N1 | C10 | C9 | H9 | 158.5° | 105.4° |
| C24 | C25 | C26 | H27 | 121.3° | 120.1° |
| C24 | C25 | C26 | H28 | 121.3° | 120.0° |
| C24 | C25 | C26 | C27 | 52.2° | 158.8° |
| C24 | C25 | C26 | H25 | 173.2° | 38.8° |
| C24 | C25 | C26 | H26 | 68.8° | 81.2° |
| C24 | C25 | H27 | H28 | 116.1° | 120.0° |
| C25 | C24 | H29 | H30 | 117.5° | 119.9° |
| C25 | C24 | C23 | H31 | 39.0° | 40.6° |
| C25 | C24 | C23 | H32 | 81.0° | 79.4° |
| N1 | C11 | C12 | C13 | 123.3° | 120.0° |
| N1 | C11 | C12 | H5 | 119.2° | 120.1° |
| N1 | C11 | C13 | H5 | 119.0° | 119.9° |
| N1 | C11 | C12 | N2 | 140.5° | 148.4° |
| N1 | C11 | C12 | O2 | 42.6° | 31.5° |
| N1 | C11 | C13 | C15 | 169.1° | 64.9° |
| N1 | C11 | C13 | H10 | 70.3° | 55.2° |
| N1 | C11 | C13 | H11 | 48.5° | 175.2° |
| C12 | C11 | C13 | H5 | 117.4° | 120.0° |
| C11 | C12 | N2 | O2 | 176.8° | 179.9° |
| C12 | C11 | C13 | C15 | 45.6° | 175.0° |
| C11 | C12 | N2 | C29 | 168.4° | 179.5° |
| C12 | C11 | C13 | H10 | 166.2° | 65.0° |
| C12 | C11 | C13 | H11 | 75.0° | 55.1° |
| C12 | C11 | N1 | H12 | 116.6° | 129.6° |
| C11 | C12 | N2 | H13 | 11.6° | 0.5° |
| C13 | C11 | C12 | N2 | 96.1° | 91.6° |
| C13 | C11 | C12 | O2 | 80.7° | 88.4° |
| C11 | C13 | C15 | H10 | 120.6° | 120.1° |
| C11 | C13 | C15 | H11 | 120.6° | 120.0° |
| C11 | C13 | C15 | N15 | 79.7° | 55.0° |
| C11 | C13 | C15 | C14 | 100.7° | 125.0° |
| C11 | C13 | H10 | H11 | 118.2° | 120.0° |
| C13 | C11 | N1 | H12 | 6.5° | 110.4° |
| C25 | C26 | C27 | H25 | 121.0° | 120.0° |
| C25 | C26 | C27 | H26 | 121.0° | 120.0° |
| C25 | C26 | C27 | C28 | 113.2° | 115.6° |
| C25 | C26 | C27 | H23 | 125.6° | 124.3° |
| C25 | C26 | C27 | H24 | 8.0° | 4.4° |
| C25 | C26 | H25 | H26 | 116.9° | 120.0° |
| C26 | C25 | H27 | H28 | 116.1° | 120.0° |
| C26 | C25 | C24 | H29 | 3.4° | 37.4° |
| C26 | C25 | C24 | H30 | 121.8° | 157.4° |
| C26 | C27 | C28 | H23 | 121.2° | 120.0° |
| C26 | C27 | C28 | H24 | 121.2° | 120.0° |
| C26 | C27 | C28 | C29 | 99.4° | 144.0° |
| C26 | C27 | C28 | H21 | 21.3° | 24.0° |
| C26 | C27 | C28 | H22 | 140.0° | 96.1° |
| C26 | C27 | H23 | H24 | 116.1° | 119.9° |
| C27 | C26 | H25 | H26 | 116.8° | 120.0° |
| C27 | C26 | C25 | H27 | 69.1° | 81.1° |
| C27 | C26 | C25 | H28 | 173.4° | 38.8° |
| C27 | C28 | C29 | N2 | 58.3° | 155.0° |
| C27 | C28 | C29 | H21 | 120.7° | 120.0° |
| C27 | C28 | C29 | H22 | 120.7° | 119.9° |
| C27 | C28 | C29 | H19 | 178.5° | 35.2° |
| C27 | C28 | C29 | H20 | 62.0° | 85.2° |
| C27 | C28 | H21 | H22 | 117.9° | 120.0° |
| C28 | C27 | H23 | H24 | 116.1° | 120.1° |
| C28 | C27 | C26 | H25 | 7.8° | 4.4° |
| C28 | C27 | C26 | H26 | 125.8° | 124.4° |
| C12 | N2 | C29 | H13 | 180.0° | 180.0° |
| C12 | N2 | C29 | C28 | 127.8° | 120.6° |
| N2 | C12 | C11 | H5 | 21.4° | 28.4° |
| C12 | N2 | C29 | H19 | 111.9° | 119.5° |
| C12 | N2 | C29 | H20 | 7.5° | 0.8° |
| O2 | C12 | N2 | C29 | 8.4° | 0.5° |
| O2 | C12 | C11 | H5 | 161.8° | 151.6° |
| O2 | C12 | N2 | H13 | 171.6° | 179.5° |
| C13 | C15 | N15 | C14 | 179.6° | 180.0° |
| C13 | C15 | N15 | C31 | 179.5° | 179.5° |
| C13 | C15 | C14 | C33 | 179.1° | 180.0° |
| C13 | C15 | C14 | H2 | 1.0° | 0.3° |
| C15 | C13 | C11 | H5 | 71.8° | 55.0° |
| C15 | C13 | H10 | H11 | 118.2° | 119.9° |
| N2 | C29 | C28 | H19 | 120.3° | 119.8° |
| N2 | C29 | C28 | H20 | 120.3° | 119.8° |
| N2 | C29 | H19 | H20 | 119.1° | 120.3° |
| N2 | C29 | C28 | H21 | 178.9° | 85.0° |
| N2 | C29 | C28 | H22 | 62.4° | 35.1° |
| C28 | C29 | N2 | H13 | 52.2° | 59.4° |
| C28 | C29 | H19 | H20 | 119.1° | 120.5° |
| C29 | C28 | H21 | H22 | 117.9° | 120.0° |
| C29 | C28 | C27 | H23 | 139.4° | 96.1° |
| C29 | C28 | C27 | H24 | 21.8° | 24.0° |
| C15 | N15 | C31 | C32 | 0.3° | 0.8° |
| N15 | C15 | C14 | C33 | 1.4° | 0.0° |
| N15 | C15 | C14 | H2 | 178.6° | 179.7° |
| N15 | C15 | C13 | H10 | 40.9° | 175.0° |
| N15 | C15 | C13 | H11 | 159.7° | 65.0° |
| C15 | N15 | C31 | H17 | 179.7° | 179.6° |
| C31 | N15 | C15 | C14 | 0.9° | 0.5° |
| N15 | C31 | C32 | H17 | 180.0° | 179.6° |
| N15 | C31 | C32 | C33 | 0.2° | 0.5° |
| N15 | C31 | C32 | H16 | 179.8° | 179.4° |
| C15 | C14 | C33 | H2 | 180.0° | 179.7° |
| C15 | C14 | C33 | C32 | 1.2° | 0.2° |
| C14 | C15 | C13 | H10 | 138.7° | 5.0° |
| C14 | C15 | C13 | H11 | 19.8° | 115.0° |
| C15 | C14 | C33 | H15 | 178.8° | 179.7° |
| C31 | C32 | C33 | C14 | 0.6° | 0.0° |
| C31 | C32 | C33 | H16 | 180.0° | 180.0° |
| C31 | C32 | C33 | H15 | 179.4° | 179.9° |
| C14 | C33 | C32 | H15 | 180.0° | 179.9° |
| C14 | C33 | C32 | H16 | 179.4° | 179.9° |
| C32 | C33 | C14 | H2 | 178.8° | 180.0° |
| C33 | C32 | C31 | H17 | 179.8° | 179.9° |
| H1 | C4 | C3 | H14 | 0.2° | 0.0° |
| H2 | C14 | C33 | H15 | 1.2° | 0.1° |
| H3 | C6 | C7 | H6 | 61.5° | 56.2° |
| H4 | C6 | C7 | H6 | 180.0° | 63.9° |
| H5 | C11 | C13 | H10 | 48.8° | 175.0° |
| H5 | C11 | C13 | H11 | 167.6° | 65.0° |
| H5 | C11 | N1 | H12 | 124.9° | 9.5° |
| H6 | C7 | C8 | H7 | 68.7° | 175.1° |
| H6 | C7 | N | H45 | 167.1° | 111.6° |
| H7 | C8 | C9 | H8 | 71.5° | 58.5° |
| H7 | C8 | C9 | H9 | 168.7° | 61.4° |
| H7 | C8 | O8 | H18 | 62.0° | 60.0° |
| H13 | N2 | C29 | H19 | 68.1° | 60.4° |
| H13 | N2 | C29 | H20 | 172.5° | 179.3° |
| H14 | C3 | C2 | H47 | 0.2° | 0.0° |
| H15 | C33 | C32 | H16 | 0.6° | 0.0° |
| H16 | C32 | C31 | H17 | 0.2° | 0.2° |
| H19 | C29 | C28 | H21 | 60.8° | 155.2° |
| H19 | C29 | C28 | H22 | 57.9° | 84.7° |
| H20 | C29 | C28 | H21 | 58.6° | 34.8° |
| H20 | C29 | C28 | H22 | 177.3° | 154.9° |
| H21 | C28 | C27 | H23 | 99.9° | 143.9° |
| H21 | C28 | C27 | H24 | 142.5° | 96.0° |
| H22 | C28 | C27 | H23 | 18.7° | 23.9° |
| H22 | C28 | C27 | H24 | 98.8° | 143.9° |
| H23 | C27 | C26 | H25 | 113.4° | 115.7° |
| H23 | C27 | C26 | H26 | 4.6° | 4.3° |
| H24 | C27 | C26 | H25 | 129.0° | 124.4° |
| H24 | C27 | C26 | H26 | 113.0° | 115.6° |
| H25 | C26 | C25 | H27 | 51.9° | 158.9° |
| H25 | C26 | C25 | H28 | 65.5° | 81.1° |
| H26 | C26 | C25 | H27 | 169.9° | 38.9° |
| H26 | C26 | C25 | H28 | 52.5° | 158.9° |
| H27 | C25 | C24 | H29 | 117.9° | 82.7° |
| H27 | C25 | C24 | H30 | 0.5° | 37.3° |
| H28 | C25 | C24 | H29 | 124.7° | 157.4° |
| H28 | C25 | C24 | H30 | 116.9° | 82.7° |
| H29 | C24 | C23 | H31 | 159.8° | 160.6° |
| H29 | C24 | C23 | H32 | 39.8° | 40.6° |
| H30 | C24 | C23 | H31 | 81.8° | 79.3° |
| H30 | C24 | C23 | H32 | 158.2° | 160.7° |
| H31 | C23 | C22 | H33 | 157.0° | 152.1° |
| H31 | C23 | C22 | H34 | 38.6° | 32.1° |
| H32 | C23 | C22 | H33 | 83.0° | 87.9° |
| H32 | C23 | C22 | H34 | 158.5° | 152.1° |
| H33 | C22 | C21 | H35 | 89.8° | 93.3° |
| H33 | C22 | C21 | H36 | 151.9° | 26.7° |
| H34 | C22 | C21 | H35 | 28.7° | 146.7° |
| H34 | C22 | C21 | H36 | 89.6° | 93.3° |
| H35 | C21 | C20 | H37 | 59.0° | 161.1° |
| H35 | C21 | C20 | H38 | 179.7° | 41.1° |
| H36 | C21 | C20 | H37 | 59.3° | 79.0° |
| H36 | C21 | C20 | H38 | 61.4° | 161.0° |
| H37 | C20 | C19 | H39 | 167.1° | 140.2° |
| H37 | C20 | C19 | H40 | 73.7° | 20.3° |
| H38 | C20 | C19 | H39 | 46.4° | 99.7° |
| H38 | C20 | C19 | H40 | 165.6° | 140.3° |
| H39 | C19 | C18 | H41 | 176.8° | 12.4° |
| H39 | C19 | C18 | H42 | 56.4° | 107.5° |
| H40 | C19 | C18 | H41 | 63.9° | 132.5° |
| H40 | C19 | C18 | H42 | 175.6° | 12.6° |
| H41 | C18 | C17 | H43 | 63.6° | 107.7° |
| H41 | C18 | C17 | H44 | 55.5° | 132.3° |
| H42 | C18 | C17 | H43 | 56.9° | 12.2° |
| H42 | C18 | C17 | H44 | 176.0° | 107.8° |
| H46 | C | C1 | H48 | 0.2° | 0.0° |
| H47 | C2 | C1 | H48 | 0.1° | 0.0° |
