DLC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | N | sing | 1.47Å | 1.46Å | |
| O3 | C24 | doub | 1.21Å | 1.22Å | |
| N | C24 | sing | 1.34Å | 1.33Å | |
| N | C21 | sing | 1.47Å | 1.46Å | |
| C24 | C23 | sing | 1.51Å | 1.50Å | |
| C36 | C19 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C9 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.55Å | 1.52Å | |
| C23 | C37 | sing | 1.53Å | 1.52Å | |
| C23 | O4 | sing | 1.43Å | 1.43Å | |
| C9 | C3 | sing | 1.52Å | 1.53Å | |
| C9 | C8 | sing | 1.55Å | 1.53Å | |
| C3 | C2 | sing | 1.56Å | 1.52Å | |
| C3 | C35 | sing | 1.53Å | 1.53Å | |
| C6 | C1 | sing | 1.52Å | 1.50Å | |
| C8 | C7 | sing | 1.56Å | 1.54Å | |
| C2 | C1 | sing | 1.50Å | 1.52Å | |
| C2 | C7 | sing | 1.53Å | 1.52Å | |
| C1 | C10 | doub | 1.33Å | 1.35Å | |
| C10 | C11 | sing | 1.46Å | 1.46Å | |
| C11 | C12 | doub | 1.35Å | 1.35Å | |
| C12 | C13 | sing | 1.52Å | 1.52Å | |
| C12 | C17 | sing | 1.48Å | 1.33Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | doub | 1.33Å | 1.31Å | |
| C17 | C16 | sing | 1.51Å | 1.49Å | |
| C14 | O2 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | O1 | sing | 1.43Å | 1.43Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| C37 | H2 | sing | 1.09Å | 1.10Å | |
| C37 | H3 | sing | 1.09Å | 1.10Å | |
| C37 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C34 | H12 | sing | 1.08Å | 1.08Å | |
| C33 | H13 | sing | 1.08Å | 1.08Å | |
| C32 | H14 | sing | 1.08Å | 1.08Å | |
| C31 | H15 | sing | 1.08Å | 1.08Å | |
| C30 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C36 | H20 | sing | 1.09Å | 1.10Å | |
| C36 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C2 | H27 | sing | 1.09Å | 1.10Å | |
| C7 | H28 | sing | 1.09Å | 1.10Å | |
| C7 | H29 | sing | 1.09Å | 1.10Å | |
| C8 | H30 | sing | 1.09Å | 1.10Å | |
| C8 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H33 | sing | 1.09Å | 1.10Å | |
| C5 | H34 | sing | 1.09Å | 1.10Å | |
| C5 | H35 | sing | 1.09Å | 1.10Å | |
| C6 | H36 | sing | 1.09Å | 1.10Å | |
| C6 | H37 | sing | 1.09Å | 1.10Å | |
| C10 | H38 | sing | 1.08Å | 1.08Å | |
| C11 | H39 | sing | 1.08Å | 1.08Å | |
| C18 | H40 | sing | 1.08Å | 1.08Å | |
| C18 | H41 | sing | 1.08Å | 1.08Å | |
| C16 | H42 | sing | 1.09Å | 1.10Å | |
| O1 | H43 | sing | 0.97Å | 0.95Å | |
| C15 | H44 | sing | 1.09Å | 1.10Å | |
| C15 | H45 | sing | 1.09Å | 1.10Å | |
| C14 | H46 | sing | 1.09Å | 1.10Å | |
| O2 | H47 | sing | 0.97Å | 0.95Å | |
| C13 | H48 | sing | 1.09Å | 1.10Å | |
| C13 | H49 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C32 | C31 | 119.9° | 120.0° |
| C32 | C33 | C34 | 119.8° | 120.0° |
| C32 | C33 | H13 | 120.1° | 120.0° |
| C33 | C32 | H14 | 120.0° | 120.0° |
| C32 | C31 | C30 | 120.3° | 120.0° |
| C31 | C32 | H14 | 120.1° | 120.0° |
| C32 | C31 | H15 | 119.8° | 120.0° |
| C33 | C34 | C29 | 120.3° | 120.0° |
| C33 | C34 | H12 | 119.9° | 119.9° |
| C34 | C33 | H13 | 120.1° | 120.0° |
| C31 | C30 | C29 | 119.7° | 120.0° |
| C30 | C31 | H15 | 119.8° | 120.0° |
| C31 | C30 | H16 | 120.1° | 120.0° |
| C34 | C29 | C30 | 120.0° | 120.0° |
| C34 | C29 | C26 | 120.3° | 120.0° |
| C29 | C34 | H12 | 119.9° | 120.0° |
| C30 | C29 | C26 | 119.7° | 120.0° |
| C29 | C30 | H16 | 120.1° | 120.0° |
| C29 | C26 | C25 | 108.5° | 109.5° |
| C29 | C26 | H10 | 109.7° | 109.5° |
| C29 | C26 | H11 | 109.7° | 109.5° |
| C26 | C25 | N | 106.6° | 109.5° |
| C26 | C25 | H8 | 110.2° | 109.5° |
| C26 | C25 | H9 | 110.2° | 109.5° |
| C25 | C26 | H10 | 109.7° | 109.5° |
| C25 | C26 | H11 | 109.7° | 109.5° |
| C25 | N | C24 | 130.5° | 124.4° |
| C25 | N | C21 | 115.0° | 124.4° |
| N | C25 | H8 | 110.2° | 109.5° |
| N | C25 | H9 | 110.2° | 109.4° |
| O3 | C24 | N | 127.5° | 125.0° |
| O3 | C24 | C23 | 123.5° | 124.9° |
| C24 | N | C21 | 114.5° | 111.3° |
| N | C24 | C23 | 109.0° | 110.1° |
| N | C21 | C20 | 110.0° | 110.4° |
| N | C21 | C22 | 102.6° | 105.5° |
| N | C21 | H7 | 112.1° | 110.1° |
| C24 | C23 | C22 | 103.2° | 104.2° |
| C24 | C23 | C37 | 111.4° | 110.5° |
| C24 | C23 | O4 | 110.5° | 110.5° |
| C36 | C19 | C20 | 106.5° | 109.4° |
| C36 | C19 | C9 | 114.7° | 109.5° |
| C36 | C19 | H19 | 107.0° | 109.4° |
| C19 | C36 | H20 | 109.5° | 109.5° |
| C19 | C36 | H21 | 109.5° | 109.5° |
| C19 | C36 | H22 | 109.5° | 109.5° |
| C20 | C21 | C22 | 109.9° | 110.2° |
| C21 | C20 | C19 | 107.8° | 109.5° |
| C20 | C21 | H7 | 111.0° | 110.2° |
| C21 | C20 | H17 | 109.9° | 109.4° |
| C21 | C20 | H18 | 109.9° | 109.5° |
| C21 | C22 | C23 | 107.2° | 101.8° |
| C21 | C22 | H5 | 110.0° | 111.0° |
| C21 | C22 | H6 | 110.0° | 111.0° |
| C22 | C21 | H7 | 111.0° | 110.3° |
| C5 | C4 | C3 | 111.8° | 107.5° |
| C4 | C5 | C6 | 112.8° | 111.8° |
| C5 | C4 | H32 | 108.9° | 109.9° |
| C5 | C4 | H33 | 108.9° | 109.9° |
| C4 | C5 | H34 | 108.7° | 109.0° |
| C4 | C5 | H35 | 108.6° | 109.0° |
| C4 | C3 | C9 | 116.0° | 118.4° |
| C4 | C3 | C2 | 107.6° | 107.6° |
| C4 | C3 | C35 | 111.2° | 108.8° |
| C3 | C4 | H32 | 108.9° | 109.8° |
| C3 | C4 | H33 | 108.9° | 109.8° |
| C20 | C19 | C9 | 114.3° | 109.4° |
| C19 | C20 | H17 | 109.9° | 109.5° |
| C19 | C20 | H18 | 109.9° | 109.5° |
| C20 | C19 | H19 | 107.0° | 109.5° |
| C19 | C9 | C3 | 116.2° | 110.3° |
| C19 | C9 | C8 | 112.9° | 110.3° |
| C9 | C19 | H19 | 106.9° | 109.5° |
| C19 | C9 | H23 | 107.7° | 110.3° |
| C5 | C6 | C1 | 108.4° | 110.7° |
| C6 | C5 | H34 | 108.6° | 109.0° |
| C6 | C5 | H35 | 108.6° | 109.0° |
| C5 | C6 | H36 | 109.8° | 109.2° |
| C5 | C6 | H37 | 109.8° | 109.2° |
| C22 | C23 | C37 | 113.2° | 110.5° |
| C22 | C23 | O4 | 108.7° | 110.5° |
| C23 | C22 | H5 | 110.0° | 111.0° |
| C23 | C22 | H6 | 110.1° | 111.0° |
| C37 | C23 | O4 | 109.6° | 110.5° |
| C23 | C37 | H2 | 109.5° | 109.5° |
| C23 | C37 | H3 | 109.5° | 109.5° |
| C23 | C37 | H4 | 109.5° | 109.5° |
| C23 | O4 | H1 | 109.5° | 114.0° |
| C3 | C9 | C8 | 104.1° | 105.0° |
| C9 | C3 | C2 | 103.6° | 103.2° |
| C9 | C3 | C35 | 110.4° | 109.3° |
| C3 | C9 | H23 | 107.8° | 110.3° |
| C9 | C8 | C7 | 108.2° | 106.3° |
| C8 | C9 | H23 | 107.8° | 110.4° |
| C9 | C8 | H30 | 109.8° | 110.1° |
| C9 | C8 | H31 | 109.8° | 110.1° |
| C2 | C3 | C35 | 107.4° | 109.2° |
| C3 | C2 | C1 | 108.4° | 105.5° |
| C3 | C2 | C7 | 104.3° | 101.2° |
| C3 | C2 | H27 | 106.4° | 110.9° |
| C3 | C35 | H24 | 109.5° | 109.4° |
| C3 | C35 | H25 | 109.5° | 109.5° |
| C3 | C35 | H26 | 109.4° | 109.4° |
| C6 | C1 | C2 | 112.4° | 115.2° |
| C6 | C1 | C10 | 115.1° | 122.3° |
| C1 | C6 | H36 | 109.8° | 109.2° |
| C1 | C6 | H37 | 109.7° | 109.2° |
| C8 | C7 | C2 | 103.4° | 102.8° |
| C8 | C7 | H28 | 110.9° | 110.7° |
| C8 | C7 | H29 | 111.0° | 110.9° |
| C7 | C8 | H30 | 109.8° | 110.1° |
| C7 | C8 | H31 | 109.8° | 110.0° |
| C1 | C2 | C7 | 123.8° | 116.7° |
| C2 | C1 | C10 | 132.5° | 122.4° |
| C1 | C2 | H27 | 106.4° | 110.7° |
| C7 | C2 | H27 | 106.3° | 111.2° |
| C2 | C7 | H28 | 111.0° | 110.7° |
| C2 | C7 | H29 | 111.0° | 110.8° |
| C1 | C10 | C11 | 130.1° | 119.9° |
| C1 | C10 | H38 | 115.0° | 120.0° |
| C10 | C11 | C12 | 119.4° | 120.0° |
| C11 | C10 | H38 | 115.0° | 120.0° |
| C10 | C11 | H39 | 120.3° | 120.1° |
| C11 | C12 | C13 | 121.5° | 121.6° |
| C11 | C12 | C17 | 118.3° | 121.7° |
| C12 | C11 | H39 | 120.3° | 119.9° |
| C13 | C12 | C17 | 120.2° | 116.8° |
| C12 | C13 | C14 | 112.8° | 108.6° |
| C12 | C13 | H48 | 108.6° | 109.7° |
| C12 | C13 | H49 | 108.6° | 109.7° |
| C12 | C17 | C18 | 118.9° | 121.6° |
| C12 | C17 | C16 | 121.6° | 116.8° |
| C13 | C14 | O2 | 110.3° | 109.5° |
| C13 | C14 | C15 | 111.8° | 109.9° |
| C13 | C14 | H46 | 108.6° | 109.2° |
| C14 | C13 | H48 | 108.6° | 109.6° |
| C14 | C13 | H49 | 108.6° | 109.5° |
| C18 | C17 | C16 | 119.5° | 121.6° |
| C17 | C18 | H40 | 120.0° | 120.0° |
| C17 | C18 | H41 | 120.0° | 120.0° |
| C17 | C16 | C15 | 106.9° | 108.4° |
| C17 | C16 | O1 | 108.9° | 109.7° |
| C17 | C16 | H42 | 110.2° | 109.7° |
| O2 | C14 | C15 | 107.4° | 109.4° |
| O2 | C14 | H46 | 110.0° | 109.5° |
| C14 | O2 | H47 | 109.5° | 114.0° |
| C14 | C15 | C16 | 108.8° | 109.8° |
| C14 | C15 | H44 | 109.7° | 109.5° |
| C14 | C15 | H45 | 109.7° | 109.3° |
| C15 | C14 | H46 | 108.8° | 109.4° |
| C15 | C16 | O1 | 109.8° | 109.7° |
| C15 | C16 | H42 | 109.8° | 109.7° |
| C16 | C15 | H44 | 109.6° | 109.4° |
| C16 | C15 | H45 | 109.6° | 109.4° |
| O1 | C16 | H42 | 111.1° | 109.7° |
| C16 | O1 | H43 | 109.5° | 113.9° |
| H2 | C37 | H3 | 109.5° | 109.4° |
| H2 | C37 | H4 | 109.4° | 109.4° |
| H3 | C37 | H4 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.5° | 110.8° |
| H8 | C25 | H9 | 109.5° | 109.5° |
| H10 | C26 | H11 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H20 | C36 | H21 | 109.5° | 109.4° |
| H20 | C36 | H22 | 109.5° | 109.5° |
| H21 | C36 | H22 | 109.5° | 109.5° |
| H24 | C35 | H25 | 109.5° | 109.5° |
| H24 | C35 | H26 | 109.5° | 109.4° |
| H25 | C35 | H26 | 109.4° | 109.5° |
| H28 | C7 | H29 | 109.5° | 110.7° |
| H30 | C8 | H31 | 109.4° | 110.1° |
| H32 | C4 | H33 | 109.5° | 109.9° |
| H34 | C5 | H35 | 109.5° | 108.9° |
| H36 | C6 | H37 | 109.5° | 109.2° |
| H40 | C18 | H41 | 120.0° | 120.0° |
| H44 | C15 | H45 | 109.5° | 109.4° |
| H48 | C13 | H49 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C32 | C31 | H14 | 180.0° | 180.0° |
| C32 | C33 | C34 | H13 | 180.0° | 179.9° |
| C33 | C32 | C31 | C30 | 0.2° | 0.2° |
| C32 | C33 | C34 | C29 | 0.2° | 0.1° |
| C32 | C33 | C34 | H12 | 179.8° | 180.0° |
| C33 | C32 | C31 | H15 | 179.8° | 180.0° |
| C31 | C32 | C33 | C34 | 0.1° | 0.1° |
| C32 | C31 | C30 | H15 | 180.0° | 179.9° |
| C32 | C31 | C30 | C29 | 0.3° | 0.5° |
| C31 | C32 | C33 | H13 | 179.9° | 180.0° |
| C32 | C31 | C30 | H16 | 179.7° | 180.0° |
| C33 | C34 | C29 | H12 | 180.0° | 180.0° |
| C33 | C34 | C29 | C30 | 0.3° | 0.2° |
| C33 | C34 | C29 | C26 | 179.9° | 180.0° |
| C34 | C33 | C32 | H14 | 179.9° | 180.0° |
| C31 | C30 | C29 | C34 | 0.3° | 0.5° |
| C31 | C30 | C29 | H16 | 180.0° | 179.5° |
| C31 | C30 | C29 | C26 | 179.8° | 179.7° |
| C30 | C31 | C32 | H14 | 179.8° | 179.8° |
| C34 | C29 | C30 | C26 | 179.8° | 179.8° |
| C34 | C29 | C26 | C25 | 127.2° | 85.1° |
| C34 | C29 | C26 | H10 | 112.9° | 34.9° |
| C34 | C29 | C26 | H11 | 7.4° | 154.9° |
| C29 | C34 | C33 | H13 | 179.8° | 180.0° |
| C34 | C29 | C30 | H16 | 179.7° | 180.0° |
| C30 | C29 | C26 | C25 | 52.9° | 95.1° |
| C30 | C29 | C26 | H10 | 66.9° | 144.9° |
| C30 | C29 | C26 | H11 | 172.8° | 24.9° |
| C30 | C29 | C34 | H12 | 179.7° | 179.8° |
| C29 | C30 | C31 | H15 | 179.7° | 179.7° |
| C29 | C26 | C25 | H10 | 119.8° | 120.0° |
| C29 | C26 | C25 | H11 | 119.9° | 120.0° |
| C29 | C26 | C25 | N | 77.0° | 174.7° |
| C29 | C26 | C25 | H8 | 42.6° | 65.3° |
| C29 | C26 | C25 | H9 | 163.5° | 54.8° |
| C29 | C26 | H10 | H11 | 120.5° | 120.0° |
| C26 | C29 | C34 | H12 | 0.1° | 0.0° |
| C26 | C29 | C30 | H16 | 0.2° | 0.2° |
| C26 | C25 | N | H8 | 119.6° | 120.0° |
| C26 | C25 | N | H9 | 119.5° | 120.0° |
| C26 | C25 | N | C24 | 61.8° | 92.3° |
| C26 | C25 | N | C21 | 119.7° | 87.5° |
| C26 | C25 | H8 | H9 | 121.4° | 120.0° |
| C25 | C26 | H10 | H11 | 120.4° | 120.0° |
| C25 | N | C24 | O3 | 18.3° | 0.5° |
| C25 | N | C24 | C21 | 178.6° | 179.8° |
| C25 | N | C24 | C23 | 161.7° | 179.8° |
| C25 | N | C21 | C20 | 55.0° | 44.1° |
| C25 | N | C21 | C22 | 171.9° | 163.2° |
| C25 | N | C21 | H7 | 69.0° | 77.8° |
| N | C25 | H8 | H9 | 121.3° | 120.0° |
| N | C25 | C26 | H10 | 163.2° | 54.7° |
| N | C25 | C26 | H11 | 42.9° | 65.3° |
| O3 | C24 | N | C23 | 179.9° | 179.7° |
| O3 | C24 | N | C21 | 163.2° | 179.7° |
| O3 | C24 | C23 | C22 | 161.1° | 163.8° |
| O3 | C24 | C23 | C37 | 39.4° | 77.5° |
| O3 | C24 | C23 | O4 | 82.8° | 45.1° |
| C24 | N | C21 | C20 | 123.8° | 135.7° |
| C24 | N | C21 | C22 | 6.9° | 16.6° |
| N | C24 | C23 | C22 | 18.9° | 16.5° |
| N | C24 | C23 | C37 | 140.7° | 102.1° |
| N | C24 | C23 | O4 | 97.2° | 135.2° |
| C24 | N | C21 | H7 | 112.2° | 102.4° |
| C24 | N | C25 | H8 | 178.7° | 147.7° |
| C24 | N | C25 | H9 | 57.8° | 27.6° |
| C21 | N | C24 | C23 | 16.9° | 0.0° |
| N | C21 | C20 | C22 | 112.2° | 116.2° |
| N | C21 | C20 | H7 | 124.6° | 121.8° |
| N | C21 | C22 | H7 | 119.9° | 118.9° |
| N | C21 | C20 | C19 | 155.7° | 180.0° |
| N | C21 | C22 | C23 | 5.6° | 25.2° |
| N | C21 | C22 | H5 | 114.0° | 92.9° |
| N | C21 | C22 | H6 | 125.3° | 143.4° |
| C21 | N | C25 | H8 | 0.1° | 32.5° |
| C21 | N | C25 | H9 | 120.8° | 152.6° |
| N | C21 | C20 | H17 | 36.0° | 59.9° |
| N | C21 | C20 | H18 | 84.5° | 60.0° |
| C24 | C23 | C22 | C21 | 14.3° | 24.8° |
| C24 | C23 | C22 | C37 | 120.6° | 118.7° |
| C24 | C23 | C22 | O4 | 117.3° | 118.7° |
| C24 | C23 | C37 | O4 | 122.6° | 122.6° |
| C24 | C23 | O4 | H1 | 180.0° | 61.4° |
| C24 | C23 | C37 | H2 | 180.0° | 58.6° |
| C24 | C23 | C37 | H3 | 60.0° | 178.5° |
| C24 | C23 | C37 | H4 | 60.0° | 61.4° |
| C24 | C23 | C22 | H5 | 105.3° | 93.3° |
| C24 | C23 | C22 | H6 | 134.0° | 143.0° |
| C36 | C19 | C20 | C21 | 45.1° | 65.0° |
| C36 | C19 | C20 | C9 | 127.7° | 120.0° |
| C36 | C19 | C20 | H19 | 114.2° | 120.0° |
| C36 | C19 | C9 | H19 | 118.5° | 120.0° |
| C36 | C19 | C9 | C3 | 58.2° | 65.8° |
| C36 | C19 | C9 | C8 | 178.3° | 178.6° |
| C36 | C19 | C20 | H17 | 74.7° | 55.0° |
| C36 | C19 | C20 | H18 | 164.8° | 175.0° |
| C19 | C36 | H20 | H21 | 120.0° | 119.9° |
| C19 | C36 | H20 | H22 | 120.0° | 120.1° |
| C19 | C36 | H21 | H22 | 120.0° | 120.1° |
| C36 | C19 | C9 | H23 | 62.8° | 56.3° |
| C20 | C21 | C22 | H7 | 123.2° | 122.0° |
| C21 | C20 | C19 | H17 | 119.8° | 120.0° |
| C21 | C20 | C19 | H18 | 119.7° | 120.0° |
| C21 | C20 | C19 | C9 | 172.8° | 175.0° |
| C20 | C21 | C22 | C23 | 111.4° | 144.4° |
| C20 | C21 | C22 | H5 | 129.0° | 26.2° |
| C20 | C21 | C22 | H6 | 8.3° | 97.5° |
| C21 | C20 | H17 | H18 | 120.8° | 120.0° |
| C21 | C20 | C19 | H19 | 69.1° | 55.0° |
| C22 | C21 | C20 | C19 | 92.1° | 63.9° |
| C21 | C22 | C23 | H5 | 119.6° | 118.2° |
| C21 | C22 | C23 | H6 | 119.7° | 118.1° |
| C21 | C22 | C23 | C37 | 134.9° | 93.8° |
| C21 | C22 | C23 | O4 | 103.0° | 143.5° |
| C21 | C22 | H5 | H6 | 121.0° | 123.8° |
| C22 | C21 | C20 | H17 | 148.2° | 176.1° |
| C22 | C21 | C20 | H18 | 27.7° | 56.1° |
| C5 | C4 | C3 | H32 | 120.4° | 119.5° |
| C5 | C4 | C3 | H33 | 120.3° | 119.6° |
| C4 | C5 | C6 | H34 | 120.5° | 120.6° |
| C4 | C5 | C6 | H35 | 120.5° | 120.5° |
| C5 | C4 | C3 | C9 | 173.3° | 175.6° |
| C5 | C4 | C3 | C2 | 57.9° | 68.1° |
| C5 | C4 | C3 | C35 | 59.5° | 50.1° |
| C4 | C5 | C6 | C1 | 51.8° | 48.6° |
| C5 | C4 | H32 | H33 | 118.9° | 121.1° |
| C4 | C5 | H34 | H35 | 118.5° | 118.8° |
| C4 | C5 | C6 | H36 | 171.6° | 168.9° |
| C4 | C5 | C6 | H37 | 68.0° | 71.7° |
| C4 | C3 | C9 | C19 | 86.0° | 92.2° |
| C3 | C4 | C5 | C6 | 54.1° | 59.1° |
| C4 | C3 | C9 | C2 | 117.7° | 118.6° |
| C4 | C3 | C9 | C35 | 127.6° | 125.2° |
| C4 | C3 | C9 | C8 | 149.3° | 148.9° |
| C4 | C3 | C2 | C35 | 119.8° | 117.9° |
| C4 | C3 | C2 | C1 | 61.6° | 66.5° |
| C4 | C3 | C2 | C7 | 164.7° | 171.5° |
| C4 | C3 | C9 | H23 | 34.9° | 29.9° |
| C4 | C3 | C35 | H24 | 180.0° | 62.3° |
| C4 | C3 | C35 | H25 | 60.0° | 57.8° |
| C4 | C3 | C35 | H26 | 60.0° | 177.8° |
| C4 | C3 | C2 | H27 | 52.5° | 53.4° |
| C3 | C4 | H32 | H33 | 118.9° | 120.9° |
| C3 | C4 | C5 | H34 | 66.3° | 61.5° |
| C3 | C4 | C5 | H35 | 174.6° | 179.7° |
| C20 | C19 | C9 | H19 | 118.2° | 120.0° |
| C20 | C19 | C9 | C3 | 178.5° | 174.2° |
| C20 | C19 | C9 | C8 | 58.4° | 58.6° |
| C19 | C20 | C21 | H7 | 31.1° | 58.1° |
| C19 | C20 | H17 | H18 | 120.8° | 120.0° |
| C20 | C19 | C36 | H20 | 180.0° | 64.0° |
| C20 | C19 | C36 | H21 | 60.0° | 176.1° |
| C20 | C19 | C36 | H22 | 60.0° | 56.1° |
| C20 | C19 | C9 | H23 | 60.5° | 63.7° |
| C19 | C9 | C3 | C8 | 124.7° | 118.9° |
| C19 | C9 | C3 | H23 | 120.9° | 122.1° |
| C19 | C9 | C8 | H23 | 118.8° | 122.2° |
| C19 | C9 | C3 | C2 | 156.3° | 149.1° |
| C19 | C9 | C3 | C35 | 41.6° | 33.0° |
| C19 | C9 | C8 | C7 | 137.6° | 122.9° |
| C9 | C19 | C20 | H17 | 53.0° | 65.0° |
| C9 | C19 | C20 | H18 | 67.5° | 55.0° |
| C9 | C19 | C36 | H20 | 52.6° | 56.0° |
| C9 | C19 | C36 | H21 | 172.6° | 63.9° |
| C9 | C19 | C36 | H22 | 67.4° | 176.1° |
| C19 | C9 | C8 | H30 | 102.6° | 117.9° |
| C19 | C9 | C8 | H31 | 17.8° | 3.7° |
| C5 | C6 | C1 | H36 | 119.8° | 120.3° |
| C5 | C6 | C1 | H37 | 119.8° | 120.3° |
| C5 | C6 | C1 | C2 | 57.5° | 50.2° |
| C5 | C6 | C1 | C10 | 122.2° | 129.8° |
| C6 | C5 | C4 | H32 | 66.2° | 178.5° |
| C6 | C5 | C4 | H33 | 174.5° | 60.4° |
| C6 | C5 | H34 | H35 | 118.4° | 118.9° |
| C5 | C6 | H36 | H37 | 120.5° | 119.4° |
| C22 | C23 | C37 | O4 | 121.6° | 122.7° |
| C22 | C23 | O4 | H1 | 67.4° | 176.2° |
| C22 | C23 | C37 | H2 | 64.2° | 56.2° |
| C22 | C23 | C37 | H3 | 175.8° | 63.8° |
| C22 | C23 | C37 | H4 | 55.8° | 176.2° |
| C23 | C22 | H5 | H6 | 121.0° | 123.8° |
| C23 | C22 | C21 | H7 | 125.5° | 93.6° |
| C37 | C23 | O4 | H1 | 56.8° | 61.2° |
| C23 | C37 | H2 | H3 | 120.0° | 120.0° |
| C23 | C37 | H2 | H4 | 120.0° | 120.0° |
| C23 | C37 | H3 | H4 | 120.0° | 120.0° |
| C37 | C23 | C22 | H5 | 15.3° | 148.0° |
| C37 | C23 | C22 | H6 | 105.4° | 24.3° |
| O4 | C23 | C37 | H2 | 57.4° | 178.9° |
| O4 | C23 | C37 | H3 | 62.7° | 58.9° |
| O4 | C23 | C37 | H4 | 177.4° | 61.1° |
| O4 | C23 | C22 | H5 | 137.4° | 25.3° |
| O4 | C23 | C22 | H6 | 16.7° | 98.4° |
| C3 | C9 | C8 | H23 | 114.3° | 118.9° |
| C9 | C3 | C2 | C35 | 116.8° | 116.2° |
| C3 | C9 | C8 | C7 | 10.7° | 4.0° |
| C9 | C3 | C2 | C1 | 175.0° | 167.6° |
| C9 | C3 | C2 | C7 | 41.3° | 45.6° |
| C3 | C9 | C19 | H19 | 60.3° | 54.2° |
| C9 | C3 | C35 | H24 | 49.8° | 68.3° |
| C9 | C3 | C35 | H25 | 70.2° | 171.6° |
| C9 | C3 | C35 | H26 | 169.8° | 51.6° |
| C9 | C3 | C2 | H27 | 70.9° | 72.5° |
| C3 | C9 | C8 | H30 | 130.5° | 123.2° |
| C3 | C9 | C8 | H31 | 109.1° | 115.2° |
| C9 | C3 | C4 | H32 | 53.0° | 56.1° |
| C9 | C3 | C4 | H33 | 66.3° | 64.8° |
| C8 | C9 | C3 | C2 | 31.6° | 30.2° |
| C8 | C9 | C3 | C35 | 83.1° | 85.9° |
| C9 | C8 | C7 | H30 | 119.8° | 119.2° |
| C9 | C8 | C7 | H31 | 119.8° | 119.2° |
| C9 | C8 | C7 | C2 | 14.2° | 24.2° |
| C8 | C9 | C19 | H19 | 59.9° | 61.4° |
| C9 | C8 | C7 | H28 | 133.2° | 94.1° |
| C9 | C8 | C7 | H29 | 104.9° | 142.6° |
| C9 | C8 | H30 | H31 | 120.6° | 121.6° |
| C3 | C2 | C1 | C6 | 64.2° | 58.1° |
| C3 | C2 | C7 | C8 | 33.9° | 42.3° |
| C3 | C2 | C1 | C7 | 122.5° | 111.5° |
| C3 | C2 | C1 | H27 | 114.1° | 120.0° |
| C3 | C2 | C7 | H27 | 112.3° | 117.8° |
| C3 | C2 | C1 | C10 | 115.4° | 121.9° |
| C2 | C3 | C9 | H23 | 82.8° | 88.7° |
| C2 | C3 | C35 | H24 | 62.5° | 179.4° |
| C2 | C3 | C35 | H25 | 177.5° | 59.4° |
| C2 | C3 | C35 | H26 | 57.5° | 60.7° |
| C3 | C2 | C7 | H28 | 152.9° | 76.0° |
| C3 | C2 | C7 | H29 | 85.1° | 160.8° |
| C2 | C3 | C4 | H32 | 62.5° | 172.4° |
| C2 | C3 | C4 | H33 | 178.2° | 51.5° |
| C35 | C3 | C2 | C1 | 58.2° | 51.4° |
| C35 | C3 | C2 | C7 | 75.5° | 70.6° |
| C35 | C3 | C9 | H23 | 162.6° | 155.1° |
| C3 | C35 | H24 | H25 | 120.0° | 120.1° |
| C3 | C35 | H24 | H26 | 120.0° | 119.9° |
| C3 | C35 | H25 | H26 | 120.0° | 120.0° |
| C35 | C3 | C2 | H27 | 172.3° | 171.3° |
| C35 | C3 | C4 | H32 | 179.8° | 69.4° |
| C35 | C3 | C4 | H33 | 60.9° | 169.7° |
| C6 | C1 | C2 | C10 | 179.6° | 180.0° |
| C6 | C1 | C2 | C7 | 173.4° | 169.6° |
| C6 | C1 | C10 | C11 | 178.3° | 160.7° |
| C6 | C1 | C2 | H27 | 49.9° | 61.9° |
| C1 | C6 | C5 | H34 | 68.7° | 72.0° |
| C1 | C6 | C5 | H35 | 172.3° | 169.2° |
| C1 | C6 | H36 | H37 | 120.5° | 119.4° |
| C6 | C1 | C10 | H38 | 1.7° | 19.3° |
| C8 | C7 | C2 | C1 | 158.2° | 156.2° |
| C8 | C7 | C2 | H28 | 119.0° | 118.3° |
| C8 | C7 | C2 | H29 | 119.0° | 118.5° |
| C7 | C8 | C9 | H23 | 103.6° | 114.9° |
| C8 | C7 | C2 | H27 | 78.3° | 75.5° |
| C8 | C7 | H28 | H29 | 122.8° | 123.4° |
| C7 | C8 | H30 | H31 | 120.5° | 121.5° |
| C1 | C2 | C7 | H27 | 123.5° | 128.3° |
| C2 | C1 | C10 | C11 | 1.3° | 19.3° |
| C1 | C2 | C7 | H28 | 82.8° | 37.9° |
| C1 | C2 | C7 | H29 | 39.2° | 85.3° |
| C2 | C1 | C6 | H36 | 177.3° | 170.5° |
| C2 | C1 | C6 | H37 | 62.3° | 70.1° |
| C2 | C1 | C10 | H38 | 178.7° | 160.7° |
| C7 | C2 | C1 | C10 | 7.0° | 10.4° |
| C2 | C7 | H28 | H29 | 122.8° | 123.3° |
| C2 | C7 | C8 | H30 | 105.7° | 95.1° |
| C2 | C7 | C8 | H31 | 134.0° | 143.4° |
| C1 | C10 | C11 | H38 | 180.0° | 180.0° |
| C1 | C10 | C11 | C12 | 172.9° | 173.6° |
| C10 | C1 | C2 | H27 | 130.5° | 118.1° |
| C10 | C1 | C6 | H36 | 2.3° | 9.5° |
| C10 | C1 | C6 | H37 | 118.0° | 109.9° |
| C1 | C10 | C11 | H39 | 7.0° | 6.3° |
| C10 | C11 | C12 | H39 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 1.5° | 0.1° |
| C10 | C11 | C12 | C17 | 178.8° | 179.7° |
| C11 | C12 | C13 | C17 | 179.7° | 179.8° |
| C11 | C12 | C13 | C14 | 156.0° | 133.5° |
| C11 | C12 | C17 | C18 | 30.4° | 43.1° |
| C11 | C12 | C17 | C16 | 149.9° | 136.9° |
| C12 | C11 | C10 | H38 | 7.1° | 6.4° |
| C11 | C12 | C13 | H48 | 83.5° | 13.7° |
| C11 | C12 | C13 | H49 | 35.6° | 106.8° |
| C12 | C13 | C14 | H48 | 120.5° | 119.8° |
| C12 | C13 | C14 | H49 | 120.5° | 119.8° |
| C13 | C12 | C17 | C18 | 149.9° | 137.2° |
| C13 | C12 | C17 | C16 | 29.8° | 42.8° |
| C12 | C13 | C14 | O2 | 80.5° | 177.6° |
| C12 | C13 | C14 | C15 | 38.9° | 57.5° |
| C13 | C12 | C11 | H39 | 178.5° | 180.0° |
| C12 | C13 | C14 | H46 | 158.9° | 62.6° |
| C12 | C13 | H48 | H49 | 118.5° | 120.5° |
| C17 | C12 | C13 | C14 | 23.7° | 46.3° |
| C12 | C17 | C18 | C16 | 179.7° | 180.0° |
| C12 | C17 | C16 | C15 | 48.1° | 46.6° |
| C12 | C17 | C16 | O1 | 166.7° | 73.1° |
| C17 | C12 | C11 | H39 | 1.2° | 0.2° |
| C12 | C17 | C18 | H40 | 179.7° | 0.0° |
| C12 | C17 | C18 | H41 | 0.3° | 180.0° |
| C12 | C17 | C16 | H42 | 71.3° | 166.3° |
| C17 | C12 | C13 | H48 | 96.8° | 166.1° |
| C17 | C12 | C13 | H49 | 144.1° | 73.4° |
| C13 | C14 | O2 | C15 | 122.1° | 120.4° |
| C13 | C14 | O2 | H46 | 119.7° | 119.7° |
| C13 | C14 | C15 | H46 | 119.9° | 119.9° |
| C13 | C14 | C15 | C16 | 59.7° | 66.1° |
| C13 | C14 | C15 | H44 | 60.1° | 54.0° |
| C13 | C14 | C15 | H45 | 179.6° | 173.8° |
| C13 | C14 | O2 | H47 | 180.0° | 59.5° |
| C14 | C13 | H48 | H49 | 118.4° | 120.3° |
| C18 | C17 | C16 | C15 | 131.7° | 133.4° |
| C18 | C17 | C16 | O1 | 13.0° | 106.9° |
| C17 | C18 | H40 | H41 | 180.0° | 180.0° |
| C18 | C17 | C16 | H42 | 109.0° | 13.7° |
| C17 | C16 | C15 | C14 | 60.8° | 57.7° |
| C17 | C16 | C15 | O1 | 118.0° | 119.8° |
| C17 | C16 | C15 | H42 | 119.5° | 119.7° |
| C17 | C16 | O1 | H42 | 121.5° | 120.6° |
| C16 | C17 | C18 | H40 | 0.0° | 180.0° |
| C16 | C17 | C18 | H41 | 180.0° | 0.0° |
| C17 | C16 | O1 | H43 | 180.0° | 60.0° |
| C17 | C16 | C15 | H44 | 59.1° | 62.4° |
| C17 | C16 | C15 | H45 | 179.3° | 177.7° |
| O2 | C14 | C15 | H46 | 119.0° | 119.9° |
| O2 | C14 | C15 | C16 | 61.4° | 173.7° |
| O2 | C14 | C15 | H44 | 178.7° | 66.2° |
| O2 | C14 | C15 | H45 | 58.5° | 53.6° |
| O2 | C14 | C13 | H48 | 158.9° | 62.5° |
| O2 | C14 | C13 | H49 | 40.0° | 57.8° |
| C14 | C15 | C16 | H44 | 119.9° | 120.2° |
| C14 | C15 | C16 | H45 | 119.9° | 120.0° |
| C14 | C15 | C16 | O1 | 178.8° | 62.0° |
| C14 | C15 | C16 | H42 | 58.7° | 177.5° |
| C14 | C15 | H44 | H45 | 120.4° | 119.8° |
| C15 | C14 | O2 | H47 | 57.9° | 180.0° |
| C15 | C14 | C13 | H48 | 81.6° | 177.3° |
| C15 | C14 | C13 | H49 | 159.4° | 62.3° |
| C15 | C16 | O1 | H42 | 121.7° | 120.5° |
| C15 | C16 | O1 | H43 | 63.2° | 178.9° |
| C16 | C15 | H44 | H45 | 120.3° | 119.9° |
| C16 | C15 | C14 | H46 | 179.6° | 53.8° |
| O1 | C16 | C15 | H44 | 58.9° | 177.8° |
| O1 | C16 | C15 | H45 | 61.3° | 58.0° |
| H2 | C37 | H3 | H4 | 120.0° | 119.9° |
| H5 | C22 | C21 | H7 | 5.8° | 148.2° |
| H6 | C22 | C21 | H7 | 114.8° | 24.5° |
| H7 | C21 | C20 | H17 | 88.6° | 61.9° |
| H7 | C21 | C20 | H18 | 150.9° | 178.1° |
| H8 | C25 | C26 | H10 | 77.2° | 174.7° |
| H8 | C25 | C26 | H11 | 162.4° | 54.7° |
| H9 | C25 | C26 | H10 | 43.7° | 65.2° |
| H9 | C25 | C26 | H11 | 76.6° | 174.8° |
| H12 | C34 | C33 | H13 | 0.2° | 0.0° |
| H13 | C33 | C32 | H14 | 0.1° | 0.0° |
| H14 | C32 | C31 | H15 | 0.2° | 0.1° |
| H15 | C31 | C30 | H16 | 0.3° | 0.2° |
| H17 | C20 | C19 | H19 | 171.1° | 174.9° |
| H18 | C20 | C19 | H19 | 50.6° | 65.0° |
| H19 | C19 | C36 | H20 | 65.8° | 176.0° |
| H19 | C19 | C36 | H21 | 54.2° | 56.1° |
| H19 | C19 | C36 | H22 | 174.2° | 63.9° |
| H19 | C19 | C9 | H23 | 178.7° | 176.3° |
| H20 | C36 | H21 | H22 | 120.0° | 120.0° |
| H23 | C9 | C8 | H30 | 16.2° | 4.3° |
| H23 | C9 | C8 | H31 | 136.6° | 125.9° |
| H24 | C35 | H25 | H26 | 120.0° | 120.0° |
| H27 | C2 | C7 | H28 | 40.7° | 166.2° |
| H27 | C2 | C7 | H29 | 162.6° | 43.0° |
| H28 | C7 | C8 | H30 | 13.3° | 146.6° |
| H28 | C7 | C8 | H31 | 107.0° | 25.1° |
| H29 | C7 | C8 | H30 | 135.3° | 23.3° |
| H29 | C7 | C8 | H31 | 15.0° | 98.2° |
| H32 | C4 | C5 | H34 | 173.3° | 57.9° |
| H32 | C4 | C5 | H35 | 54.3° | 60.9° |
| H33 | C4 | C5 | H34 | 54.0° | 179.0° |
| H33 | C4 | C5 | H35 | 65.0° | 60.2° |
| H34 | C5 | C6 | H36 | 51.1° | 48.3° |
| H34 | C5 | C6 | H37 | 171.5° | 167.7° |
| H35 | C5 | C6 | H36 | 67.9° | 70.5° |
| H35 | C5 | C6 | H37 | 52.5° | 48.9° |
| H38 | C10 | C11 | H39 | 172.9° | 173.7° |
| H42 | C16 | O1 | H43 | 58.5° | 60.6° |
| H42 | C16 | C15 | H44 | 178.6° | 57.3° |
| H42 | C16 | C15 | H45 | 61.2° | 62.6° |
| H44 | C15 | C14 | H46 | 59.7° | 173.9° |
| H45 | C15 | C14 | H46 | 60.5° | 66.3° |
| H46 | C14 | O2 | H47 | 60.3° | 60.1° |
| H46 | C14 | C13 | H48 | 38.4° | 57.3° |
| H46 | C14 | C13 | H49 | 80.6° | 177.7° |
