VDP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C37 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C32 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | N28 | sing | 1.47Å | 1.47Å | |
| N28 | C25 | sing | 1.34Å | 1.33Å | |
| N28 | C23 | sing | 1.47Å | 1.47Å | |
| O3 | C25 | doub | 1.21Å | 1.22Å | |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | C27 | sing | 1.54Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C22 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C16 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.54Å | 1.55Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| C16 | C11 | sing | 1.52Å | 1.53Å | |
| C16 | C17 | sing | 1.55Å | 1.54Å | |
| C26 | C27 | sing | 1.55Å | 1.51Å | |
| C26 | O4 | sing | 1.43Å | 1.41Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C11 | C9 | sing | 1.55Å | 1.54Å | |
| C11 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C15 | sing | 1.55Å | 1.55Å | |
| C9 | C15 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.50Å | 1.51Å | |
| C14 | C8 | sing | 1.52Å | 1.52Å | |
| C8 | C7 | doub | 1.33Å | 1.35Å | |
| C7 | C6 | sing | 1.46Å | 1.46Å | |
| C6 | C5 | doub | 1.35Å | 1.36Å | |
| C5 | C4 | sing | 1.52Å | 1.52Å | |
| C5 | C10 | sing | 1.48Å | 1.47Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C19 | C10 | doub | 1.33Å | 1.32Å | |
| C10 | C1 | sing | 1.52Å | 1.50Å | |
| C3 | O2 | sing | 1.43Å | 1.42Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C27 | H5 | sing | 1.09Å | 1.10Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C29 | H10 | sing | 1.09Å | 1.10Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.08Å | 1.08Å | |
| C34 | H17 | sing | 1.08Å | 1.08Å | |
| C35 | H18 | sing | 1.08Å | 1.08Å | |
| C36 | H19 | sing | 1.08Å | 1.08Å | |
| C37 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H32 | sing | 1.09Å | 1.10Å | |
| C15 | H33 | sing | 1.09Å | 1.10Å | |
| C17 | H34 | sing | 1.09Å | 1.10Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C12 | H36 | sing | 1.09Å | 1.10Å | |
| C12 | H37 | sing | 1.09Å | 1.10Å | |
| C13 | H38 | sing | 1.09Å | 1.10Å | |
| C13 | H39 | sing | 1.09Å | 1.10Å | |
| C14 | H40 | sing | 1.09Å | 1.10Å | |
| C14 | H41 | sing | 1.09Å | 1.10Å | |
| C7 | H42 | sing | 1.08Å | 1.08Å | |
| C6 | H43 | sing | 1.08Å | 1.08Å | |
| C4 | H44 | sing | 1.09Å | 1.10Å | |
| C4 | H45 | sing | 1.09Å | 1.10Å | |
| C3 | H46 | sing | 1.09Å | 1.10Å | |
| O2 | H47 | sing | 0.97Å | 0.95Å | |
| C2 | H48 | sing | 1.09Å | 1.10Å | |
| C2 | H49 | sing | 1.09Å | 1.10Å | |
| C1 | H50 | sing | 1.09Å | 1.10Å | |
| O1 | H51 | sing | 0.97Å | 0.95Å | |
| C19 | H52 | sing | 1.08Å | 1.08Å | |
| C19 | H53 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C37 | C32 | 121.2° | 120.0° |
| C37 | C36 | C35 | 120.2° | 120.0° |
| C37 | C36 | H19 | 119.9° | 120.1° |
| C36 | C37 | H20 | 119.4° | 120.0° |
| C37 | C32 | C31 | 120.8° | 120.0° |
| C37 | C32 | C33 | 118.2° | 120.0° |
| C32 | C37 | H20 | 119.4° | 120.0° |
| C36 | C35 | C34 | 118.8° | 120.0° |
| C36 | C35 | H18 | 120.6° | 120.0° |
| C35 | C36 | H19 | 119.9° | 120.0° |
| C31 | C30 | C29 | 115.9° | 109.4° |
| C30 | C31 | C32 | 107.7° | 109.4° |
| C31 | C30 | H12 | 107.8° | 109.4° |
| C31 | C30 | H13 | 107.8° | 109.5° |
| C30 | C31 | H14 | 109.9° | 109.5° |
| C30 | C31 | H15 | 109.9° | 109.5° |
| C30 | C29 | C28 | 111.1° | 109.4° |
| C30 | C29 | H10 | 109.1° | 109.4° |
| C30 | C29 | H11 | 109.0° | 109.5° |
| C29 | C30 | H12 | 107.9° | 109.4° |
| C29 | C30 | H13 | 107.8° | 109.5° |
| C31 | C32 | C33 | 121.0° | 120.0° |
| C32 | C31 | H14 | 109.9° | 109.5° |
| C32 | C31 | H15 | 109.9° | 109.5° |
| C32 | C33 | C34 | 120.7° | 120.0° |
| C32 | C33 | H16 | 119.6° | 120.0° |
| C35 | C34 | C33 | 120.8° | 120.0° |
| C35 | C34 | H17 | 119.6° | 120.0° |
| C34 | C35 | H18 | 120.6° | 120.0° |
| C29 | C28 | N28 | 103.0° | 109.5° |
| C29 | C28 | H8 | 111.1° | 109.5° |
| C29 | C28 | H9 | 111.1° | 109.5° |
| C28 | C29 | H10 | 109.1° | 109.4° |
| C28 | C29 | H11 | 109.1° | 109.5° |
| C34 | C33 | H16 | 119.6° | 120.0° |
| C33 | C34 | H17 | 119.6° | 120.0° |
| C28 | N28 | C25 | 128.7° | 124.4° |
| C28 | N28 | C23 | 117.1° | 124.4° |
| N28 | C28 | H8 | 111.1° | 109.4° |
| N28 | C28 | H9 | 111.0° | 109.4° |
| C25 | N28 | C23 | 114.0° | 111.3° |
| N28 | C25 | O3 | 127.5° | 124.9° |
| N28 | C25 | C26 | 110.2° | 110.1° |
| N28 | C23 | C22 | 111.5° | 110.4° |
| N28 | C23 | C27 | 102.9° | 105.5° |
| N28 | C23 | H7 | 111.5° | 110.1° |
| O3 | C25 | C26 | 122.3° | 125.0° |
| C25 | C26 | C24 | 112.0° | 110.5° |
| C25 | C26 | C27 | 104.4° | 104.2° |
| C25 | C26 | O4 | 107.2° | 110.5° |
| C22 | C23 | C27 | 109.5° | 110.3° |
| C23 | C22 | C20 | 107.7° | 109.5° |
| C22 | C23 | H7 | 110.7° | 110.2° |
| C23 | C22 | H21 | 109.9° | 109.5° |
| C23 | C22 | H22 | 109.9° | 109.5° |
| C23 | C27 | C26 | 106.6° | 101.8° |
| C23 | C27 | H5 | 110.2° | 110.9° |
| C23 | C27 | H6 | 110.2° | 111.0° |
| C27 | C23 | H7 | 110.5° | 110.2° |
| C21 | C20 | C22 | 113.0° | 109.4° |
| C21 | C20 | C16 | 122.7° | 109.5° |
| C21 | C20 | H23 | 99.9° | 109.5° |
| C20 | C21 | H24 | 109.5° | 109.5° |
| C20 | C21 | H25 | 109.5° | 109.5° |
| C20 | C21 | H26 | 109.4° | 109.4° |
| C22 | C20 | C16 | 115.6° | 109.5° |
| C20 | C22 | H21 | 109.9° | 109.4° |
| C20 | C22 | H22 | 109.9° | 109.5° |
| C22 | C20 | H23 | 99.9° | 109.5° |
| C20 | C16 | C11 | 119.8° | 110.3° |
| C20 | C16 | C17 | 110.3° | 110.3° |
| C16 | C20 | H23 | 99.8° | 109.5° |
| C20 | C16 | H27 | 108.4° | 110.3° |
| C13 | C12 | C11 | 111.2° | 107.5° |
| C12 | C13 | C14 | 116.4° | 111.8° |
| C13 | C12 | H36 | 109.0° | 109.8° |
| C13 | C12 | H37 | 109.0° | 109.8° |
| C12 | C13 | H38 | 107.7° | 109.0° |
| C12 | C13 | H39 | 107.7° | 109.0° |
| C12 | C11 | C16 | 116.6° | 118.3° |
| C12 | C11 | C9 | 108.7° | 107.6° |
| C12 | C11 | C18 | 109.5° | 108.8° |
| C11 | C12 | H36 | 109.1° | 109.9° |
| C11 | C12 | H37 | 109.0° | 109.9° |
| C24 | C26 | C27 | 110.2° | 110.5° |
| C24 | C26 | O4 | 111.6° | 110.5° |
| C26 | C24 | H2 | 109.5° | 109.5° |
| C26 | C24 | H3 | 109.5° | 109.4° |
| C26 | C24 | H4 | 109.5° | 109.5° |
| C11 | C16 | C17 | 101.1° | 105.0° |
| C16 | C11 | C9 | 102.6° | 103.2° |
| C16 | C11 | C18 | 108.8° | 109.3° |
| C11 | C16 | H27 | 108.4° | 110.3° |
| C16 | C17 | C15 | 106.9° | 106.3° |
| C17 | C16 | H27 | 108.3° | 110.4° |
| C16 | C17 | H34 | 110.1° | 110.1° |
| C16 | C17 | H35 | 110.1° | 110.0° |
| C27 | C26 | O4 | 111.1° | 110.5° |
| C26 | C27 | H5 | 110.2° | 110.9° |
| C26 | C27 | H6 | 110.2° | 111.0° |
| C26 | O4 | H1 | 109.5° | 114.1° |
| C13 | C14 | C8 | 109.3° | 110.7° |
| C14 | C13 | H38 | 107.7° | 109.0° |
| C14 | C13 | H39 | 107.7° | 109.0° |
| C13 | C14 | H40 | 109.5° | 109.2° |
| C13 | C14 | H41 | 109.5° | 109.2° |
| C9 | C11 | C18 | 110.4° | 109.2° |
| C11 | C9 | C15 | 103.4° | 101.3° |
| C11 | C9 | C8 | 107.0° | 105.5° |
| C11 | C9 | H31 | 108.2° | 110.9° |
| C11 | C18 | H28 | 109.5° | 109.4° |
| C11 | C18 | H29 | 109.4° | 109.5° |
| C11 | C18 | H30 | 109.5° | 109.5° |
| C17 | C15 | C9 | 105.0° | 102.7° |
| C17 | C15 | H32 | 110.6° | 110.8° |
| C17 | C15 | H33 | 110.6° | 110.9° |
| C15 | C17 | H34 | 110.1° | 110.1° |
| C15 | C17 | H35 | 110.1° | 110.1° |
| C15 | C9 | C8 | 120.7° | 116.7° |
| C15 | C9 | H31 | 108.3° | 110.7° |
| C9 | C15 | H32 | 110.6° | 110.8° |
| C9 | C15 | H33 | 110.6° | 110.8° |
| C9 | C8 | C14 | 114.9° | 115.2° |
| C9 | C8 | C7 | 124.4° | 122.4° |
| C8 | C9 | H31 | 108.6° | 111.1° |
| C14 | C8 | C7 | 120.6° | 122.4° |
| C8 | C14 | H40 | 109.5° | 109.2° |
| C8 | C14 | H41 | 109.5° | 109.3° |
| C8 | C7 | C6 | 120.7° | 120.0° |
| C8 | C7 | H42 | 119.6° | 120.0° |
| C7 | C6 | C5 | 127.7° | 120.0° |
| C6 | C7 | H42 | 119.7° | 120.0° |
| C7 | C6 | H43 | 116.2° | 120.0° |
| C6 | C5 | C4 | 115.4° | 121.6° |
| C6 | C5 | C10 | 127.5° | 121.6° |
| C5 | C6 | H43 | 116.1° | 120.0° |
| C4 | C5 | C10 | 117.1° | 116.8° |
| C5 | C4 | C3 | 114.6° | 108.4° |
| C5 | C4 | H44 | 108.2° | 109.7° |
| C5 | C4 | H45 | 108.2° | 109.6° |
| C5 | C10 | C19 | 124.2° | 121.6° |
| C5 | C10 | C1 | 117.2° | 116.6° |
| C4 | C3 | O2 | 108.7° | 109.4° |
| C4 | C3 | C2 | 112.7° | 109.8° |
| C3 | C4 | H44 | 108.2° | 109.7° |
| C3 | C4 | H45 | 108.2° | 109.7° |
| C4 | C3 | H46 | 109.2° | 109.4° |
| C19 | C10 | C1 | 118.4° | 121.8° |
| C10 | C19 | H52 | 120.0° | 120.0° |
| C10 | C19 | H53 | 120.0° | 120.1° |
| C10 | C1 | C2 | 107.2° | 108.3° |
| C10 | C1 | O1 | 112.4° | 109.8° |
| C10 | C1 | H50 | 109.8° | 109.6° |
| O2 | C3 | C2 | 106.0° | 109.5° |
| O2 | C3 | H46 | 110.7° | 109.4° |
| C3 | O2 | H47 | 109.5° | 114.0° |
| C3 | C2 | C1 | 106.7° | 109.9° |
| C2 | C3 | H46 | 109.3° | 109.4° |
| C3 | C2 | H48 | 110.1° | 109.4° |
| C3 | C2 | H49 | 110.1° | 109.4° |
| C2 | C1 | O1 | 106.9° | 109.7° |
| C1 | C2 | H48 | 110.2° | 109.4° |
| C1 | C2 | H49 | 110.2° | 109.4° |
| C2 | C1 | H50 | 109.5° | 109.7° |
| O1 | C1 | H50 | 110.9° | 109.7° |
| C1 | O1 | H51 | 109.5° | 114.0° |
| H2 | C24 | H3 | 109.4° | 109.5° |
| H2 | C24 | H4 | 109.5° | 109.5° |
| H3 | C24 | H4 | 109.5° | 109.4° |
| H5 | C27 | H6 | 109.5° | 110.9° |
| H8 | C28 | H9 | 109.5° | 109.5° |
| H10 | C29 | H11 | 109.5° | 109.5° |
| H12 | C30 | H13 | 109.4° | 109.5° |
| H14 | C31 | H15 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.4° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.5° |
| H24 | C21 | H26 | 109.4° | 109.5° |
| H25 | C21 | H26 | 109.5° | 109.4° |
| H28 | C18 | H29 | 109.5° | 109.4° |
| H28 | C18 | H30 | 109.4° | 109.5° |
| H29 | C18 | H30 | 109.5° | 109.5° |
| H32 | C15 | H33 | 109.4° | 110.7° |
| H34 | C17 | H35 | 109.5° | 110.1° |
| H36 | C12 | H37 | 109.5° | 109.9° |
| H38 | C13 | H39 | 109.5° | 109.0° |
| H40 | C14 | H41 | 109.4° | 109.2° |
| H44 | C4 | H45 | 109.5° | 109.7° |
| H48 | C2 | H49 | 109.5° | 109.4° |
| H52 | C19 | H53 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C37 | C32 | H20 | 180.0° | 179.6° |
| C37 | C36 | C35 | H19 | 180.0° | 179.8° |
| C36 | C37 | C32 | C31 | 179.7° | 179.8° |
| C36 | C37 | C32 | C33 | 0.9° | 0.5° |
| C37 | C36 | C35 | C34 | 0.6° | 0.2° |
| C37 | C36 | C35 | H18 | 179.4° | 179.8° |
| C32 | C37 | C36 | C35 | 0.1° | 0.5° |
| C37 | C32 | C31 | C30 | 97.7° | 90.3° |
| C37 | C32 | C31 | C33 | 178.8° | 179.8° |
| C37 | C32 | C33 | C34 | 0.9° | 0.2° |
| C37 | C32 | C31 | H14 | 142.6° | 149.7° |
| C37 | C32 | C31 | H15 | 22.0° | 29.8° |
| C37 | C32 | C33 | H16 | 179.1° | 179.8° |
| C32 | C37 | C36 | H19 | 179.9° | 179.7° |
| C36 | C35 | C34 | H18 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.6° | 0.0° |
| C36 | C35 | C34 | H17 | 179.4° | 179.9° |
| C35 | C36 | C37 | H20 | 179.9° | 179.9° |
| C31 | C30 | C29 | H12 | 121.0° | 119.9° |
| C31 | C30 | C29 | H13 | 120.9° | 120.0° |
| C30 | C31 | C32 | H14 | 119.7° | 120.0° |
| C30 | C31 | C32 | H15 | 119.7° | 120.0° |
| C30 | C31 | C32 | C33 | 81.1° | 90.0° |
| C31 | C30 | C29 | C28 | 133.8° | 175.2° |
| C31 | C30 | C29 | H10 | 105.9° | 55.2° |
| C31 | C30 | C29 | H11 | 13.6° | 64.8° |
| C31 | C30 | H12 | H13 | 117.0° | 120.1° |
| C30 | C31 | H14 | H15 | 120.8° | 120.0° |
| C29 | C30 | C31 | C32 | 143.6° | 180.0° |
| C30 | C29 | C28 | H10 | 120.3° | 119.9° |
| C30 | C29 | C28 | H11 | 120.3° | 120.0° |
| C30 | C29 | C28 | N28 | 102.2° | 175.5° |
| C30 | C29 | C28 | H8 | 16.7° | 64.5° |
| C30 | C29 | C28 | H9 | 138.9° | 55.5° |
| C30 | C29 | H10 | H11 | 119.2° | 120.0° |
| C29 | C30 | H12 | H13 | 117.1° | 120.0° |
| C29 | C30 | C31 | H14 | 23.9° | 60.0° |
| C29 | C30 | C31 | H15 | 96.7° | 60.0° |
| C31 | C32 | C33 | C34 | 179.7° | 180.0° |
| C32 | C31 | C30 | H12 | 22.6° | 60.1° |
| C32 | C31 | C30 | H13 | 95.4° | 60.0° |
| C32 | C31 | H14 | H15 | 120.8° | 120.0° |
| C31 | C32 | C33 | H16 | 0.3° | 0.0° |
| C31 | C32 | C37 | H20 | 0.4° | 0.2° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C32 | C33 | C34 | H16 | 180.0° | 180.0° |
| C33 | C32 | C31 | H14 | 38.7° | 30.0° |
| C33 | C32 | C31 | H15 | 159.2° | 150.0° |
| C32 | C33 | C34 | H17 | 179.8° | 179.9° |
| C33 | C32 | C37 | H20 | 179.2° | 179.9° |
| C35 | C34 | C33 | H17 | 180.0° | 179.9° |
| C35 | C34 | C33 | H16 | 179.8° | 179.9° |
| C34 | C35 | C36 | H19 | 179.4° | 180.0° |
| C29 | C28 | N28 | H8 | 118.9° | 120.0° |
| C29 | C28 | N28 | H9 | 118.9° | 120.1° |
| C29 | C28 | N28 | C25 | 60.3° | 89.1° |
| C29 | C28 | N28 | C23 | 112.9° | 90.6° |
| C29 | C28 | H8 | H9 | 123.0° | 120.1° |
| C28 | C29 | H10 | H11 | 119.3° | 120.0° |
| C28 | C29 | C30 | H12 | 12.9° | 64.9° |
| C28 | C29 | C30 | H13 | 105.2° | 55.1° |
| C33 | C34 | C35 | H18 | 179.4° | 179.9° |
| C28 | N28 | C25 | C23 | 173.4° | 179.7° |
| C28 | N28 | C25 | O3 | 6.4° | 0.5° |
| C28 | N28 | C25 | C26 | 172.5° | 179.8° |
| C28 | N28 | C23 | C22 | 60.8° | 44.0° |
| C28 | N28 | C23 | C27 | 178.1° | 163.2° |
| C28 | N28 | C23 | H7 | 63.4° | 77.9° |
| N28 | C28 | H8 | H9 | 123.0° | 119.9° |
| N28 | C28 | C29 | H10 | 137.5° | 55.5° |
| N28 | C28 | C29 | H11 | 18.0° | 64.5° |
| N28 | C25 | O3 | C26 | 178.7° | 179.7° |
| C25 | N28 | C23 | C22 | 125.0° | 135.7° |
| C25 | N28 | C23 | C27 | 7.7° | 16.5° |
| N28 | C25 | C26 | C24 | 110.0° | 102.2° |
| N28 | C25 | C26 | C27 | 9.3° | 16.5° |
| N28 | C25 | C26 | O4 | 127.3° | 135.3° |
| C25 | N28 | C23 | H7 | 110.8° | 102.4° |
| C25 | N28 | C28 | H8 | 179.3° | 150.9° |
| C25 | N28 | C28 | H9 | 58.6° | 31.0° |
| C23 | N28 | C25 | O3 | 179.7° | 179.8° |
| C23 | N28 | C25 | C26 | 0.9° | 0.1° |
| N28 | C23 | C22 | C27 | 113.2° | 116.3° |
| N28 | C23 | C22 | H7 | 124.7° | 121.8° |
| N28 | C23 | C27 | H7 | 119.1° | 118.8° |
| N28 | C23 | C22 | C20 | 169.1° | 177.5° |
| N28 | C23 | C27 | C26 | 13.0° | 25.1° |
| N28 | C23 | C27 | H5 | 132.5° | 92.9° |
| N28 | C23 | C27 | H6 | 106.6° | 143.3° |
| C23 | N28 | C28 | H8 | 6.0° | 29.4° |
| C23 | N28 | C28 | H9 | 128.1° | 149.3° |
| N28 | C23 | C22 | H21 | 49.3° | 57.5° |
| N28 | C23 | C22 | H22 | 71.2° | 62.6° |
| O3 | C25 | C26 | C24 | 68.9° | 77.5° |
| O3 | C25 | C26 | C27 | 171.8° | 163.8° |
| O3 | C25 | C26 | O4 | 53.8° | 45.0° |
| C25 | C26 | C27 | C23 | 13.6° | 24.7° |
| C25 | C26 | C24 | C27 | 115.8° | 114.8° |
| C25 | C26 | C24 | O4 | 120.2° | 122.6° |
| C25 | C26 | C27 | O4 | 115.2° | 118.7° |
| C25 | C26 | O4 | H1 | 20.4° | 61.4° |
| C25 | C26 | C24 | H2 | 180.0° | 58.6° |
| C25 | C26 | C24 | H3 | 60.0° | 178.6° |
| C25 | C26 | C24 | H4 | 60.0° | 61.5° |
| C25 | C26 | C27 | H5 | 133.1° | 93.3° |
| C25 | C26 | C27 | H6 | 106.0° | 142.9° |
| C22 | C23 | C27 | H7 | 122.2° | 121.9° |
| C23 | C22 | C20 | C21 | 39.6° | 65.2° |
| C23 | C22 | C20 | H21 | 119.7° | 120.0° |
| C23 | C22 | C20 | H22 | 119.8° | 120.0° |
| C23 | C22 | C20 | C16 | 171.7° | 174.7° |
| C22 | C23 | C27 | C26 | 131.6° | 144.4° |
| C22 | C23 | C27 | H5 | 108.8° | 26.3° |
| C22 | C23 | C27 | H6 | 12.1° | 97.5° |
| C23 | C22 | H21 | H22 | 120.8° | 120.0° |
| C23 | C22 | C20 | H23 | 65.7° | 54.7° |
| C27 | C23 | C22 | C20 | 77.7° | 66.3° |
| C23 | C27 | C26 | C24 | 106.9° | 93.9° |
| C23 | C27 | C26 | H5 | 119.5° | 118.0° |
| C23 | C27 | C26 | H6 | 119.6° | 118.2° |
| C23 | C27 | C26 | O4 | 128.8° | 143.5° |
| C23 | C27 | H5 | H6 | 121.3° | 123.9° |
| C27 | C23 | C22 | H21 | 162.6° | 173.8° |
| C27 | C23 | C22 | H22 | 42.1° | 53.7° |
| C21 | C20 | C22 | C16 | 148.7° | 120.0° |
| C21 | C20 | C22 | H23 | 105.3° | 120.0° |
| C21 | C20 | C16 | H23 | 108.6° | 120.0° |
| C21 | C20 | C16 | C11 | 41.1° | 60.1° |
| C21 | C20 | C16 | C17 | 157.7° | 175.7° |
| C21 | C20 | C22 | H21 | 80.2° | 54.7° |
| C21 | C20 | C22 | H22 | 159.3° | 174.8° |
| C20 | C21 | H24 | H25 | 120.0° | 120.0° |
| C20 | C21 | H24 | H26 | 120.0° | 119.9° |
| C20 | C21 | H25 | H26 | 120.0° | 119.9° |
| C21 | C20 | C16 | H27 | 84.0° | 62.1° |
| C22 | C20 | C16 | H23 | 106.1° | 120.0° |
| C22 | C20 | C16 | C11 | 173.6° | 180.0° |
| C22 | C20 | C16 | C17 | 57.0° | 64.4° |
| C20 | C22 | C23 | H7 | 44.4° | 55.7° |
| C20 | C22 | H21 | H22 | 120.8° | 120.0° |
| C22 | C20 | C21 | H24 | 180.0° | 57.2° |
| C22 | C20 | C21 | H25 | 60.0° | 62.9° |
| C22 | C20 | C21 | H26 | 60.0° | 177.2° |
| C22 | C20 | C16 | H27 | 61.4° | 57.9° |
| C20 | C16 | C11 | C12 | 75.6° | 92.2° |
| C20 | C16 | C11 | C17 | 121.3° | 118.9° |
| C20 | C16 | C11 | H27 | 125.0° | 122.2° |
| C20 | C16 | C17 | H27 | 118.4° | 122.2° |
| C20 | C16 | C11 | C9 | 165.8° | 149.1° |
| C20 | C16 | C11 | C18 | 48.8° | 33.0° |
| C20 | C16 | C17 | C15 | 157.6° | 122.8° |
| C16 | C20 | C22 | H21 | 68.5° | 65.3° |
| C16 | C20 | C22 | H22 | 52.0° | 54.8° |
| C16 | C20 | C21 | H24 | 33.8° | 177.2° |
| C16 | C20 | C21 | H25 | 153.9° | 57.1° |
| C16 | C20 | C21 | H26 | 86.2° | 62.8° |
| C20 | C16 | C17 | H34 | 82.8° | 117.9° |
| C20 | C16 | C17 | H35 | 38.0° | 3.6° |
| C13 | C12 | C11 | H36 | 120.2° | 119.5° |
| C13 | C12 | C11 | H37 | 120.2° | 119.5° |
| C13 | C12 | C11 | C16 | 172.8° | 175.6° |
| C12 | C13 | C14 | H38 | 121.0° | 120.5° |
| C12 | C13 | C14 | H39 | 121.0° | 120.6° |
| C13 | C12 | C11 | C9 | 57.5° | 68.1° |
| C13 | C12 | C11 | C18 | 63.1° | 50.2° |
| C12 | C13 | C14 | C8 | 41.9° | 48.6° |
| C13 | C12 | H36 | H37 | 119.2° | 120.9° |
| C12 | C13 | H38 | H39 | 116.9° | 118.9° |
| C12 | C13 | C14 | H40 | 161.9° | 168.8° |
| C12 | C13 | C14 | H41 | 78.1° | 71.8° |
| C12 | C11 | C16 | C9 | 118.6° | 118.7° |
| C12 | C11 | C16 | C18 | 124.4° | 125.2° |
| C12 | C11 | C16 | C17 | 163.1° | 148.9° |
| C11 | C12 | C13 | C14 | 47.4° | 59.0° |
| C12 | C11 | C9 | C18 | 120.1° | 118.0° |
| C12 | C11 | C9 | C15 | 166.9° | 171.4° |
| C12 | C11 | C9 | C8 | 64.6° | 66.6° |
| C12 | C11 | C16 | H27 | 49.4° | 29.9° |
| C12 | C11 | C18 | H28 | 180.0° | 61.5° |
| C12 | C11 | C18 | H29 | 60.0° | 58.4° |
| C12 | C11 | C18 | H30 | 60.0° | 178.4° |
| C12 | C11 | C9 | H31 | 52.2° | 53.9° |
| C11 | C12 | H36 | H37 | 119.2° | 121.0° |
| C11 | C12 | C13 | H38 | 73.6° | 61.5° |
| C11 | C12 | C13 | H39 | 168.4° | 179.7° |
| C24 | C26 | C27 | O4 | 124.3° | 122.6° |
| C24 | C26 | O4 | H1 | 102.6° | 61.2° |
| C26 | C24 | H2 | H3 | 120.0° | 120.0° |
| C26 | C24 | H2 | H4 | 120.0° | 120.1° |
| C26 | C24 | H3 | H4 | 120.0° | 120.0° |
| C24 | C26 | C27 | H5 | 12.7° | 148.1° |
| C24 | C26 | C27 | H6 | 133.6° | 24.3° |
| C11 | C16 | C17 | H27 | 113.8° | 118.9° |
| C16 | C11 | C9 | C18 | 115.9° | 116.2° |
| C11 | C16 | C17 | C15 | 29.8° | 3.9° |
| C16 | C11 | C9 | C15 | 42.9° | 45.6° |
| C16 | C11 | C9 | C8 | 171.4° | 167.6° |
| C11 | C16 | C20 | H23 | 67.5° | 60.0° |
| C16 | C11 | C18 | H28 | 51.5° | 69.0° |
| C16 | C11 | C18 | H29 | 68.5° | 171.1° |
| C16 | C11 | C18 | H30 | 171.5° | 51.0° |
| C16 | C11 | C9 | H31 | 71.8° | 72.0° |
| C11 | C16 | C17 | H34 | 149.4° | 123.2° |
| C11 | C16 | C17 | H35 | 89.8° | 115.2° |
| C16 | C11 | C12 | H36 | 52.6° | 56.1° |
| C16 | C11 | C12 | H37 | 66.9° | 64.9° |
| C17 | C16 | C11 | C9 | 44.5° | 30.2° |
| C17 | C16 | C11 | C18 | 72.5° | 85.9° |
| C16 | C17 | C15 | H34 | 119.6° | 119.2° |
| C16 | C17 | C15 | H35 | 119.6° | 119.2° |
| C16 | C17 | C15 | C9 | 4.0° | 24.2° |
| C17 | C16 | C20 | H23 | 49.1° | 55.6° |
| C16 | C17 | C15 | H32 | 115.3° | 94.1° |
| C16 | C17 | C15 | H33 | 123.3° | 142.6° |
| C16 | C17 | H34 | H35 | 121.1° | 121.5° |
| C27 | C26 | O4 | H1 | 133.9° | 176.2° |
| C27 | C26 | C24 | H2 | 64.2° | 56.2° |
| C27 | C26 | C24 | H3 | 175.8° | 63.8° |
| C27 | C26 | C24 | H4 | 55.8° | 176.3° |
| C26 | C27 | H5 | H6 | 121.3° | 123.8° |
| C26 | C27 | C23 | H7 | 106.2° | 93.7° |
| O4 | C26 | C24 | H2 | 59.8° | 178.9° |
| O4 | C26 | C24 | H3 | 60.2° | 58.9° |
| O4 | C26 | C24 | H4 | 179.8° | 61.1° |
| O4 | C26 | C27 | H5 | 111.6° | 25.4° |
| O4 | C26 | C27 | H6 | 9.3° | 98.3° |
| C13 | C14 | C8 | C9 | 50.7° | 50.3° |
| C13 | C14 | C8 | H40 | 120.0° | 120.2° |
| C13 | C14 | C8 | H41 | 120.0° | 120.3° |
| C13 | C14 | C8 | C7 | 126.0° | 129.8° |
| C14 | C13 | C12 | H36 | 72.8° | 178.6° |
| C14 | C13 | C12 | H37 | 167.7° | 60.5° |
| C14 | C13 | H38 | H39 | 116.8° | 118.9° |
| C13 | C14 | H40 | H41 | 120.1° | 119.4° |
| C11 | C9 | C15 | C17 | 23.6° | 42.3° |
| C11 | C9 | C15 | C8 | 119.5° | 113.9° |
| C11 | C9 | C15 | H31 | 114.7° | 117.7° |
| C11 | C9 | C8 | H31 | 116.6° | 120.3° |
| C11 | C9 | C8 | C14 | 63.2° | 58.2° |
| C11 | C9 | C8 | C7 | 113.3° | 121.8° |
| C9 | C11 | C16 | H27 | 69.2° | 88.7° |
| C9 | C11 | C18 | H28 | 60.4° | 178.8° |
| C9 | C11 | C18 | H29 | 179.6° | 58.8° |
| C9 | C11 | C18 | H30 | 59.6° | 61.2° |
| C11 | C9 | C15 | H32 | 142.9° | 76.0° |
| C11 | C9 | C15 | H33 | 95.7° | 160.8° |
| C9 | C11 | C12 | H36 | 62.7° | 172.4° |
| C9 | C11 | C12 | H37 | 177.8° | 51.4° |
| C18 | C11 | C9 | C15 | 73.0° | 70.6° |
| C18 | C11 | C9 | C8 | 55.5° | 51.4° |
| C18 | C11 | C16 | H27 | 173.8° | 155.2° |
| C11 | C18 | H28 | H29 | 120.0° | 120.0° |
| C11 | C18 | H28 | H30 | 120.0° | 120.0° |
| C11 | C18 | H29 | H30 | 120.0° | 120.0° |
| C18 | C11 | C9 | H31 | 172.3° | 171.9° |
| C18 | C11 | C12 | H36 | 176.7° | 69.3° |
| C18 | C11 | C12 | H37 | 57.1° | 169.6° |
| C17 | C15 | C9 | H32 | 119.3° | 118.3° |
| C17 | C15 | C9 | H33 | 119.3° | 118.5° |
| C17 | C15 | C9 | C8 | 143.0° | 156.2° |
| C15 | C17 | C16 | H27 | 83.9° | 114.9° |
| C17 | C15 | C9 | H31 | 91.1° | 75.4° |
| C17 | C15 | H32 | H33 | 122.1° | 123.4° |
| C15 | C17 | H34 | H35 | 121.2° | 121.6° |
| C15 | C9 | C8 | H31 | 125.7° | 128.2° |
| C15 | C9 | C8 | C14 | 179.1° | 169.7° |
| C15 | C9 | C8 | C7 | 4.3° | 10.4° |
| C9 | C15 | H32 | H33 | 122.1° | 123.2° |
| C9 | C15 | C17 | H34 | 123.6° | 95.0° |
| C9 | C15 | C17 | H35 | 115.6° | 143.4° |
| C9 | C8 | C14 | C7 | 176.7° | 180.0° |
| C9 | C8 | C7 | C6 | 176.9° | 180.0° |
| C8 | C9 | C15 | H32 | 97.7° | 37.9° |
| C8 | C9 | C15 | H33 | 23.7° | 85.3° |
| C9 | C8 | C14 | H40 | 170.7° | 170.5° |
| C9 | C8 | C14 | H41 | 69.3° | 70.0° |
| C9 | C8 | C7 | H42 | 3.1° | 0.0° |
| C14 | C8 | C7 | C6 | 0.5° | 0.0° |
| C14 | C8 | C9 | H31 | 53.4° | 62.1° |
| C8 | C14 | C13 | H38 | 79.1° | 72.0° |
| C8 | C14 | C13 | H39 | 162.9° | 169.2° |
| C8 | C14 | H40 | H41 | 120.0° | 119.4° |
| C14 | C8 | C7 | H42 | 179.5° | 180.0° |
| C8 | C7 | C6 | H42 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 164.7° | 180.0° |
| C7 | C8 | C9 | H31 | 130.0° | 117.9° |
| C7 | C8 | C14 | H40 | 6.0° | 9.5° |
| C7 | C8 | C14 | H41 | 114.0° | 109.9° |
| C8 | C7 | C6 | H43 | 15.3° | 0.0° |
| C7 | C6 | C5 | H43 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 179.7° | 180.0° |
| C7 | C6 | C5 | C10 | 1.5° | 0.3° |
| C6 | C5 | C4 | C10 | 179.0° | 179.8° |
| C6 | C5 | C4 | C3 | 155.6° | 133.4° |
| C6 | C5 | C10 | C19 | 37.2° | 43.1° |
| C6 | C5 | C10 | C1 | 146.9° | 136.8° |
| C5 | C6 | C7 | H42 | 15.3° | 0.0° |
| C6 | C5 | C4 | H44 | 83.7° | 13.7° |
| C6 | C5 | C4 | H45 | 34.9° | 106.9° |
| C5 | C4 | C3 | H44 | 120.7° | 119.7° |
| C5 | C4 | C3 | H45 | 120.8° | 119.7° |
| C4 | C5 | C10 | C19 | 144.0° | 136.7° |
| C4 | C5 | C10 | C1 | 31.9° | 43.4° |
| C5 | C4 | C3 | O2 | 77.7° | 177.8° |
| C5 | C4 | C3 | C2 | 39.6° | 57.7° |
| C4 | C5 | C6 | H43 | 0.3° | 0.0° |
| C5 | C4 | H44 | H45 | 117.7° | 120.5° |
| C5 | C4 | C3 | H46 | 161.4° | 62.3° |
| C10 | C5 | C4 | C3 | 23.4° | 46.9° |
| C5 | C10 | C19 | C1 | 175.9° | 179.9° |
| C5 | C10 | C1 | C2 | 54.0° | 46.9° |
| C5 | C10 | C1 | O1 | 171.2° | 72.9° |
| C10 | C5 | C6 | H43 | 178.5° | 179.7° |
| C10 | C5 | C4 | H44 | 97.4° | 166.6° |
| C10 | C5 | C4 | H45 | 144.1° | 72.9° |
| C5 | C10 | C1 | H50 | 64.9° | 166.6° |
| C5 | C10 | C19 | H52 | 175.8° | 0.0° |
| C5 | C10 | C19 | H53 | 4.1° | 180.0° |
| C4 | C3 | O2 | C2 | 121.5° | 120.3° |
| C4 | C3 | O2 | H46 | 120.0° | 119.9° |
| C4 | C3 | C2 | H46 | 121.7° | 120.0° |
| C4 | C3 | C2 | C1 | 62.4° | 66.2° |
| C3 | C4 | H44 | H45 | 117.7° | 120.6° |
| C4 | C3 | O2 | H47 | 180.0° | 60.0° |
| C4 | C3 | C2 | H48 | 57.2° | 173.6° |
| C4 | C3 | C2 | H49 | 178.1° | 53.8° |
| C19 | C10 | C1 | C2 | 122.1° | 133.2° |
| C19 | C10 | C1 | O1 | 5.0° | 107.0° |
| C19 | C10 | C1 | H50 | 119.0° | 13.5° |
| C10 | C19 | H52 | H53 | 179.9° | 180.0° |
| C10 | C1 | C2 | C3 | 67.6° | 57.9° |
| C10 | C1 | C2 | O1 | 120.7° | 119.9° |
| C10 | C1 | C2 | H50 | 119.1° | 119.6° |
| C10 | C1 | O1 | H50 | 123.3° | 120.5° |
| C10 | C1 | C2 | H48 | 52.0° | 178.0° |
| C10 | C1 | C2 | H49 | 172.9° | 62.2° |
| C10 | C1 | O1 | H51 | 180.0° | 61.1° |
| C1 | C10 | C19 | H52 | 0.0° | 179.9° |
| C1 | C10 | C19 | H53 | 180.0° | 0.1° |
| O2 | C3 | C2 | H46 | 119.4° | 119.9° |
| O2 | C3 | C2 | C1 | 56.5° | 173.7° |
| O2 | C3 | C4 | H44 | 161.6° | 62.5° |
| O2 | C3 | C4 | H45 | 43.1° | 58.1° |
| O2 | C3 | C2 | H48 | 176.1° | 53.5° |
| O2 | C3 | C2 | H49 | 63.1° | 66.2° |
| C3 | C2 | C1 | H48 | 119.5° | 120.1° |
| C3 | C2 | C1 | H49 | 119.5° | 120.1° |
| C3 | C2 | C1 | O1 | 171.7° | 62.0° |
| C2 | C3 | C4 | H44 | 81.1° | 177.4° |
| C2 | C3 | C4 | H45 | 160.4° | 62.0° |
| C2 | C3 | O2 | H47 | 58.5° | 179.7° |
| C3 | C2 | H48 | H49 | 121.3° | 119.8° |
| C3 | C2 | C1 | H50 | 51.5° | 177.5° |
| C2 | C1 | O1 | H50 | 119.4° | 120.5° |
| C1 | C2 | C3 | H46 | 175.9° | 53.8° |
| C1 | C2 | H48 | H49 | 121.3° | 119.8° |
| C2 | C1 | O1 | H51 | 62.7° | 180.0° |
| O1 | C1 | C2 | H48 | 68.7° | 58.1° |
| O1 | C1 | C2 | H49 | 52.2° | 177.9° |
| H2 | C24 | H3 | H4 | 120.0° | 120.0° |
| H5 | C27 | C23 | H7 | 13.4° | 148.3° |
| H6 | C27 | C23 | H7 | 134.2° | 24.5° |
| H7 | C23 | C22 | H21 | 75.3° | 64.3° |
| H7 | C23 | C22 | H22 | 164.1° | 175.6° |
| H8 | C28 | C29 | H10 | 103.5° | 175.5° |
| H8 | C28 | C29 | H11 | 137.0° | 55.5° |
| H9 | C28 | C29 | H10 | 18.6° | 64.5° |
| H9 | C28 | C29 | H11 | 100.9° | 175.5° |
| H10 | C29 | C30 | H12 | 133.1° | 175.2° |
| H10 | C29 | C30 | H13 | 15.0° | 64.8° |
| H11 | C29 | C30 | H12 | 107.4° | 55.1° |
| H11 | C29 | C30 | H13 | 134.5° | 175.2° |
| H12 | C30 | C31 | H14 | 97.1° | 179.9° |
| H12 | C30 | C31 | H15 | 142.4° | 59.9° |
| H13 | C30 | C31 | H14 | 144.8° | 60.0° |
| H13 | C30 | C31 | H15 | 24.3° | 180.0° |
| H16 | C33 | C34 | H17 | 0.2° | 0.0° |
| H17 | C34 | C35 | H18 | 0.6° | 0.0° |
| H18 | C35 | C36 | H19 | 0.6° | 0.0° |
| H19 | C36 | C37 | H20 | 0.1° | 0.2° |
| H21 | C22 | C20 | H23 | 174.6° | 174.7° |
| H22 | C22 | C20 | H23 | 54.1° | 65.2° |
| H23 | C20 | C21 | H24 | 74.7° | 62.8° |
| H23 | C20 | C21 | H25 | 45.3° | 177.1° |
| H23 | C20 | C21 | H26 | 165.3° | 57.2° |
| H23 | C20 | C16 | H27 | 167.5° | 177.9° |
| H24 | C21 | H25 | H26 | 120.0° | 120.0° |
| H27 | C16 | C17 | H34 | 35.7° | 4.3° |
| H27 | C16 | C17 | H35 | 156.5° | 125.9° |
| H28 | C18 | H29 | H30 | 120.0° | 120.0° |
| H31 | C9 | C15 | H32 | 28.2° | 166.3° |
| H31 | C9 | C15 | H33 | 149.6° | 43.1° |
| H32 | C15 | C17 | H34 | 4.3° | 146.6° |
| H32 | C15 | C17 | H35 | 125.1° | 25.0° |
| H33 | C15 | C17 | H34 | 117.1° | 23.3° |
| H33 | C15 | C17 | H35 | 3.7° | 98.3° |
| H36 | C12 | C13 | H38 | 166.2° | 58.0° |
| H36 | C12 | C13 | H39 | 48.2° | 60.8° |
| H37 | C12 | C13 | H38 | 46.7° | 179.0° |
| H37 | C12 | C13 | H39 | 71.3° | 60.2° |
| H38 | C13 | C14 | H40 | 40.9° | 48.3° |
| H38 | C13 | C14 | H41 | 160.9° | 167.7° |
| H39 | C13 | C14 | H40 | 77.1° | 70.5° |
| H39 | C13 | C14 | H41 | 42.9° | 48.9° |
| H42 | C7 | C6 | H43 | 164.7° | 180.0° |
| H44 | C4 | C3 | H46 | 40.6° | 57.4° |
| H45 | C4 | C3 | H46 | 77.9° | 178.0° |
| H46 | C3 | O2 | H47 | 60.0° | 59.9° |
| H46 | C3 | C2 | H48 | 64.5° | 66.3° |
| H46 | C3 | C2 | H49 | 56.4° | 173.9° |
| H48 | C2 | C1 | H50 | 171.0° | 62.4° |
| H49 | C2 | C1 | H50 | 68.1° | 57.4° |
| H50 | C1 | O1 | H51 | 56.7° | 59.5° |
