VOX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | sing | 1.51Å | 1.38Å | |
| C19 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | N15 | sing | 1.40Å | 1.32Å | |
| N14 | N15 | sing | 1.40Å | 1.34Å | |
| N14 | C12 | sing | 1.40Å | 1.31Å | |
| C12 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.36Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | C1 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.50Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| O47 | C46 | sing | 1.43Å | 1.39Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| N25 | C1 | sing | 1.35Å | 1.32Å | |
| N25 | C26 | sing | 1.47Å | 1.45Å | |
| C1 | O2 | doub | 1.21Å | 1.22Å | |
| C46 | C26 | sing | 1.53Å | 1.46Å | |
| C46 | C48 | sing | 1.53Å | 1.49Å | |
| C26 | C27 | sing | 1.51Å | 1.48Å | |
| C27 | O28 | doub | 1.21Å | 1.21Å | |
| C27 | N29 | sing | 1.35Å | 1.30Å | |
| N29 | C30 | sing | 1.47Å | 1.45Å | |
| C30 | C45 | sing | 1.53Å | 1.50Å | |
| C30 | C31 | sing | 1.51Å | 1.39Å | |
| C45 | C43 | sing | 1.53Å | 1.49Å | |
| O44 | C43 | sing | 1.43Å | 1.39Å | |
| O32 | C31 | doub | 1.21Å | 1.23Å | |
| C31 | N33 | sing | 1.37Å | 1.37Å | |
| C43 | C42 | sing | 1.53Å | 1.48Å | |
| C42 | C41 | sing | 1.53Å | 1.49Å | |
| N33 | C34 | sing | 1.49Å | 1.45Å | |
| C41 | N40 | sing | 1.48Å | 1.44Å | |
| N40 | C38 | sing | 1.37Å | 1.37Å | |
| C34 | C35 | sing | 1.53Å | 1.50Å | |
| C34 | C36 | sing | 1.53Å | 1.47Å | |
| C37 | C38 | sing | 1.51Å | 1.37Å | |
| C37 | C36 | sing | 1.53Å | 1.49Å | |
| C38 | O39 | doub | 1.21Å | 1.22Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C36 | H20 | sing | 1.09Å | 1.10Å | |
| C36 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| N33 | H26 | sing | 0.97Å | 1.00Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| N40 | H29 | sing | 0.97Å | 1.00Å | |
| C41 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å | |
| C42 | H32 | sing | 1.09Å | 1.10Å | |
| C42 | H33 | sing | 1.09Å | 1.10Å | |
| C43 | H34 | sing | 1.09Å | 1.10Å | |
| O44 | H35 | sing | 0.97Å | 0.95Å | |
| C45 | H36 | sing | 1.09Å | 1.10Å | |
| C45 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| N29 | H39 | sing | 0.97Å | 1.00Å | |
| C46 | H40 | sing | 1.09Å | 1.10Å | |
| C48 | H41 | sing | 1.09Å | 1.10Å | |
| C48 | H42 | sing | 1.09Å | 1.10Å | |
| C48 | H43 | sing | 1.09Å | 1.10Å | |
| O47 | H44 | sing | 0.97Å | 0.95Å | |
| N25 | H45 | sing | 0.97Å | 1.00Å | |
| C3 | H46 | sing | 1.09Å | 1.10Å | |
| C3 | H47 | sing | 1.09Å | 1.10Å | |
| C11 | H48 | sing | 1.08Å | 1.08Å | |
| N14 | H49 | sing | 0.97Å | 1.00Å | |
| N15 | H50 | sing | 0.97Å | 1.00Å | |
| C18 | H51 | sing | 1.08Å | 1.08Å | |
| C23 | H52 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C22 | 119.2° | 119.9° |
| C20 | C19 | C18 | 120.6° | 119.9° |
| C19 | C20 | H14 | 109.5° | 109.4° |
| C19 | C20 | H15 | 109.5° | 109.5° |
| C19 | C20 | H16 | 109.5° | 109.4° |
| C22 | C19 | C18 | 120.3° | 120.2° |
| C19 | C22 | C23 | 119.0° | 120.1° |
| C19 | C22 | H17 | 120.5° | 120.0° |
| C19 | C18 | C17 | 120.7° | 120.1° |
| C19 | C18 | H51 | 119.6° | 119.9° |
| C22 | C23 | C16 | 121.2° | 119.9° |
| C23 | C22 | H17 | 120.5° | 119.9° |
| C22 | C23 | H52 | 119.4° | 120.1° |
| C18 | C17 | C16 | 119.0° | 119.9° |
| C18 | C17 | H13 | 120.5° | 120.1° |
| C17 | C18 | H51 | 119.6° | 120.0° |
| C23 | C16 | C17 | 119.8° | 119.8° |
| C23 | C16 | N15 | 118.8° | 120.1° |
| C16 | C23 | H52 | 119.4° | 120.0° |
| C17 | C16 | N15 | 121.3° | 120.1° |
| C16 | C17 | H13 | 120.5° | 120.0° |
| C16 | N15 | N14 | 113.5° | 120.0° |
| C16 | N15 | H50 | 108.4° | 120.0° |
| N15 | N14 | C12 | 120.1° | 120.0° |
| N15 | N14 | H49 | 106.7° | 120.0° |
| N14 | N15 | H50 | 108.4° | 120.0° |
| N14 | C12 | C13 | 116.1° | 120.1° |
| N14 | C12 | C11 | 122.3° | 120.1° |
| C12 | N14 | H49 | 106.8° | 120.0° |
| C13 | C12 | C11 | 121.6° | 119.8° |
| C12 | C13 | C24 | 120.2° | 119.9° |
| C12 | C13 | H12 | 119.9° | 120.0° |
| C12 | C11 | C10 | 118.3° | 119.9° |
| C12 | C11 | H48 | 120.8° | 120.0° |
| C13 | C24 | C9 | 118.6° | 120.1° |
| C24 | C13 | H12 | 119.9° | 120.1° |
| C13 | C24 | H18 | 120.7° | 120.0° |
| C11 | C10 | C9 | 119.8° | 120.1° |
| C11 | C10 | H11 | 120.1° | 120.0° |
| C10 | C11 | H48 | 120.9° | 120.0° |
| C24 | C9 | C10 | 121.5° | 120.1° |
| C24 | C9 | C8 | 117.0° | 119.9° |
| C9 | C24 | H18 | 120.7° | 120.0° |
| C10 | C9 | C8 | 121.5° | 119.9° |
| C9 | C10 | H11 | 120.1° | 119.9° |
| C9 | C8 | C7 | 105.9° | 109.4° |
| C9 | C8 | H9 | 110.4° | 109.5° |
| C9 | C8 | H10 | 110.3° | 109.5° |
| C4 | C3 | C1 | 106.5° | 109.4° |
| C3 | C4 | C5 | 111.2° | 109.5° |
| C3 | C4 | H1 | 109.0° | 109.5° |
| C3 | C4 | H2 | 109.0° | 109.5° |
| C4 | C3 | H46 | 110.2° | 109.4° |
| C4 | C3 | H47 | 110.2° | 109.5° |
| C3 | C1 | N25 | 115.9° | 120.0° |
| C3 | C1 | O2 | 119.8° | 120.0° |
| C1 | C3 | H46 | 110.2° | 109.5° |
| C1 | C3 | H47 | 110.2° | 109.5° |
| C8 | C7 | C6 | 110.3° | 109.5° |
| C8 | C7 | H7 | 109.2° | 109.5° |
| C8 | C7 | H8 | 109.3° | 109.5° |
| C7 | C8 | H9 | 110.3° | 109.5° |
| C7 | C8 | H10 | 110.4° | 109.4° |
| C4 | C5 | C6 | 106.4° | 109.5° |
| C5 | C4 | H1 | 109.0° | 109.5° |
| C5 | C4 | H2 | 109.0° | 109.5° |
| C4 | C5 | H3 | 110.2° | 109.5° |
| C4 | C5 | H4 | 110.2° | 109.5° |
| C5 | C6 | C7 | 109.4° | 109.5° |
| C6 | C5 | H3 | 110.2° | 109.5° |
| C6 | C5 | H4 | 110.2° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| O47 | C46 | C26 | 106.8° | 109.5° |
| O47 | C46 | C48 | 108.9° | 109.5° |
| O47 | C46 | H40 | 112.9° | 109.4° |
| C46 | O47 | H44 | 109.5° | 114.0° |
| C7 | C6 | H5 | 109.5° | 109.5° |
| C7 | C6 | H6 | 109.5° | 109.5° |
| C6 | C7 | H7 | 109.3° | 109.5° |
| C6 | C7 | H8 | 109.3° | 109.5° |
| C1 | N25 | C26 | 122.1° | 120.0° |
| N25 | C1 | O2 | 124.2° | 120.0° |
| C1 | N25 | H45 | 119.0° | 120.0° |
| N25 | C26 | C46 | 107.7° | 109.5° |
| N25 | C26 | C27 | 109.6° | 109.5° |
| N25 | C26 | H19 | 111.8° | 109.5° |
| C26 | N25 | H45 | 118.9° | 120.0° |
| C26 | C46 | C48 | 104.9° | 109.5° |
| C46 | C26 | C27 | 104.5° | 109.5° |
| C46 | C26 | H19 | 111.6° | 109.4° |
| C26 | C46 | H40 | 111.7° | 109.5° |
| C48 | C46 | H40 | 111.2° | 109.5° |
| C46 | C48 | H41 | 109.5° | 109.5° |
| C46 | C48 | H42 | 109.5° | 109.5° |
| C46 | C48 | H43 | 109.5° | 109.4° |
| C26 | C27 | O28 | 120.5° | 120.0° |
| C26 | C27 | N29 | 116.1° | 120.0° |
| C27 | C26 | H19 | 111.3° | 109.5° |
| O28 | C27 | N29 | 123.4° | 120.0° |
| C27 | N29 | C30 | 120.5° | 120.0° |
| C27 | N29 | H39 | 119.8° | 120.0° |
| N29 | C30 | C45 | 107.7° | 109.5° |
| N29 | C30 | C31 | 110.9° | 109.5° |
| N29 | C30 | H38 | 109.5° | 109.5° |
| C30 | N29 | H39 | 119.7° | 120.0° |
| C45 | C30 | C31 | 109.4° | 109.5° |
| C30 | C45 | C43 | 111.6° | 109.5° |
| C30 | C45 | H36 | 109.0° | 109.5° |
| C30 | C45 | H37 | 108.9° | 109.4° |
| C45 | C30 | H38 | 108.8° | 109.5° |
| C30 | C31 | O32 | 123.7° | 120.9° |
| C30 | C31 | N33 | 118.3° | 118.1° |
| C31 | C30 | H38 | 110.5° | 109.4° |
| C45 | C43 | O44 | 107.8° | 109.5° |
| C45 | C43 | C42 | 109.2° | 109.5° |
| C45 | C43 | H34 | 110.6° | 109.5° |
| C43 | C45 | H36 | 108.9° | 109.5° |
| C43 | C45 | H37 | 108.9° | 109.5° |
| O44 | C43 | C42 | 106.4° | 109.5° |
| O44 | C43 | H34 | 112.1° | 109.5° |
| C43 | O44 | H35 | 109.5° | 114.0° |
| O32 | C31 | N33 | 118.0° | 121.0° |
| C31 | N33 | C34 | 117.9° | 113.3° |
| C31 | N33 | H26 | 121.0° | 123.4° |
| C43 | C42 | C41 | 111.7° | 109.4° |
| C43 | C42 | H32 | 108.9° | 109.5° |
| C43 | C42 | H33 | 108.9° | 109.5° |
| C42 | C43 | H34 | 110.7° | 109.5° |
| C42 | C41 | N40 | 108.3° | 108.6° |
| C42 | C41 | H30 | 109.8° | 109.6° |
| C42 | C41 | H31 | 109.8° | 109.7° |
| C41 | C42 | H32 | 108.9° | 109.5° |
| C41 | C42 | H33 | 108.9° | 109.5° |
| N33 | C34 | C35 | 108.2° | 109.7° |
| N33 | C34 | C36 | 111.5° | 108.3° |
| N33 | C34 | H22 | 110.4° | 109.7° |
| C34 | N33 | H26 | 121.0° | 123.3° |
| C41 | N40 | C38 | 121.1° | 115.3° |
| C41 | N40 | H29 | 119.5° | 122.3° |
| N40 | C41 | H30 | 109.7° | 109.6° |
| N40 | C41 | H31 | 109.7° | 109.6° |
| N40 | C38 | C37 | 116.7° | 118.7° |
| N40 | C38 | O39 | 121.1° | 120.6° |
| C38 | N40 | H29 | 119.4° | 122.4° |
| C35 | C34 | C36 | 107.0° | 109.7° |
| C35 | C34 | H22 | 109.6° | 109.7° |
| C34 | C35 | H23 | 109.5° | 109.5° |
| C34 | C35 | H24 | 109.5° | 109.5° |
| C34 | C35 | H25 | 109.5° | 109.5° |
| C34 | C36 | C37 | 109.3° | 109.4° |
| C34 | C36 | H20 | 109.5° | 109.5° |
| C34 | C36 | H21 | 109.5° | 109.5° |
| C36 | C34 | H22 | 110.1° | 109.7° |
| C38 | C37 | C36 | 112.5° | 109.5° |
| C37 | C38 | O39 | 122.1° | 120.6° |
| C38 | C37 | H27 | 108.7° | 109.5° |
| C38 | C37 | H28 | 108.7° | 109.4° |
| C37 | C36 | H20 | 109.5° | 109.5° |
| C37 | C36 | H21 | 109.5° | 109.5° |
| C36 | C37 | H27 | 108.7° | 109.5° |
| C36 | C37 | H28 | 108.7° | 109.5° |
| H1 | C4 | H2 | 109.4° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.4° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H14 | C20 | H16 | 109.5° | 109.4° |
| H15 | C20 | H16 | 109.4° | 109.5° |
| H20 | C36 | H21 | 109.5° | 109.5° |
| H23 | C35 | H24 | 109.4° | 109.4° |
| H23 | C35 | H25 | 109.4° | 109.4° |
| H24 | C35 | H25 | 109.5° | 109.5° |
| H27 | C37 | H28 | 109.5° | 109.5° |
| H30 | C41 | H31 | 109.5° | 109.6° |
| H32 | C42 | H33 | 109.5° | 109.5° |
| H36 | C45 | H37 | 109.5° | 109.4° |
| H41 | C48 | H42 | 109.4° | 109.5° |
| H41 | C48 | H43 | 109.4° | 109.5° |
| H42 | C48 | H43 | 109.5° | 109.5° |
| H46 | C3 | H47 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C22 | C18 | 179.9° | 180.0° |
| C20 | C19 | C22 | C23 | 180.0° | 179.7° |
| C20 | C19 | C18 | C17 | 180.0° | 180.0° |
| C19 | C20 | H14 | H15 | 120.0° | 120.1° |
| C19 | C20 | H14 | H16 | 120.0° | 119.9° |
| C19 | C20 | H15 | H16 | 120.0° | 120.0° |
| C20 | C19 | C22 | H17 | 0.0° | 0.2° |
| C20 | C19 | C18 | H51 | 0.0° | 0.0° |
| C19 | C22 | C23 | H17 | 180.0° | 179.5° |
| C22 | C19 | C18 | C17 | 0.2° | 0.0° |
| C19 | C22 | C23 | C16 | 0.0° | 0.5° |
| C22 | C19 | C20 | H14 | 89.9° | 90.0° |
| C22 | C19 | C20 | H15 | 150.1° | 150.0° |
| C22 | C19 | C20 | H16 | 30.1° | 29.9° |
| C22 | C19 | C18 | H51 | 179.9° | 180.0° |
| C19 | C22 | C23 | H52 | 180.0° | 180.0° |
| C18 | C19 | C22 | C23 | 0.2° | 0.2° |
| C19 | C18 | C17 | H51 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C19 | C18 | C17 | H13 | 179.9° | 179.7° |
| C18 | C19 | C20 | H14 | 89.9° | 90.1° |
| C18 | C19 | C20 | H15 | 30.1° | 30.0° |
| C18 | C19 | C20 | H16 | 150.1° | 150.0° |
| C18 | C19 | C22 | H17 | 179.9° | 179.7° |
| C22 | C23 | C16 | H52 | 180.0° | 179.4° |
| C22 | C23 | C16 | C17 | 0.3° | 0.6° |
| C22 | C23 | C16 | N15 | 179.8° | 179.4° |
| C18 | C17 | C16 | C23 | 0.3° | 0.3° |
| C18 | C17 | C16 | H13 | 180.0° | 179.7° |
| C18 | C17 | C16 | N15 | 179.8° | 179.7° |
| C23 | C16 | C17 | N15 | 179.5° | 180.0° |
| C23 | C16 | N15 | N14 | 35.5° | 0.0° |
| C23 | C16 | C17 | H13 | 179.7° | 180.0° |
| C16 | C23 | C22 | H17 | 179.9° | 180.0° |
| C23 | C16 | N15 | H50 | 156.1° | 180.0° |
| C17 | C16 | N15 | N14 | 145.0° | 180.0° |
| C17 | C16 | N15 | H50 | 24.4° | 0.0° |
| C16 | C17 | C18 | H51 | 179.9° | 180.0° |
| C17 | C16 | C23 | H52 | 179.7° | 180.0° |
| C16 | N15 | N14 | H50 | 120.6° | 180.0° |
| C16 | N15 | N14 | C12 | 177.0° | 180.0° |
| N15 | C16 | C17 | H13 | 0.2° | 0.0° |
| C16 | N15 | N14 | H49 | 55.5° | 0.0° |
| N15 | C16 | C23 | H52 | 0.2° | 0.0° |
| N15 | N14 | C12 | H49 | 121.5° | 180.0° |
| N15 | N14 | C12 | C13 | 157.9° | 180.0° |
| N15 | N14 | C12 | C11 | 21.8° | 0.3° |
| N14 | C12 | C13 | C11 | 179.8° | 179.7° |
| N14 | C12 | C13 | C24 | 179.9° | 180.0° |
| N14 | C12 | C11 | C10 | 179.8° | 179.7° |
| N14 | C12 | C13 | H12 | 0.1° | 0.6° |
| N14 | C12 | C11 | H48 | 0.2° | 0.3° |
| C12 | N14 | N15 | H50 | 62.4° | 0.0° |
| C12 | C13 | C24 | H12 | 180.0° | 179.4° |
| C13 | C12 | C11 | C10 | 0.0° | 0.0° |
| C12 | C13 | C24 | C9 | 0.1° | 0.6° |
| C12 | C13 | C24 | H18 | 179.9° | 179.5° |
| C13 | C12 | C11 | H48 | 180.0° | 180.0° |
| C13 | C12 | N14 | H49 | 36.5° | 0.0° |
| C11 | C12 | C13 | C24 | 0.1° | 0.3° |
| C12 | C11 | C10 | H48 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.3° | 0.0° |
| C12 | C11 | C10 | H11 | 179.6° | 179.7° |
| C11 | C12 | C13 | H12 | 179.9° | 179.7° |
| C11 | C12 | N14 | H49 | 143.3° | 179.7° |
| C13 | C24 | C9 | H18 | 180.0° | 179.9° |
| C13 | C24 | C9 | C10 | 0.5° | 0.6° |
| C13 | C24 | C9 | C8 | 179.3° | 179.4° |
| C11 | C10 | C9 | C24 | 0.6° | 0.3° |
| C11 | C10 | C9 | H11 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 179.3° | 179.7° |
| C24 | C9 | C10 | C8 | 178.7° | 179.9° |
| C24 | C9 | C8 | C7 | 59.0° | 90.0° |
| C24 | C9 | C8 | H9 | 60.4° | 150.0° |
| C24 | C9 | C8 | H10 | 178.5° | 29.9° |
| C24 | C9 | C10 | H11 | 179.4° | 180.0° |
| C9 | C24 | C13 | H12 | 179.9° | 180.0° |
| C10 | C9 | C8 | C7 | 119.7° | 90.0° |
| C10 | C9 | C8 | H9 | 120.8° | 29.9° |
| C10 | C9 | C8 | H10 | 0.3° | 150.0° |
| C10 | C9 | C24 | H18 | 179.5° | 179.5° |
| C9 | C10 | C11 | H48 | 179.7° | 180.0° |
| C9 | C8 | C7 | H9 | 119.4° | 120.0° |
| C9 | C8 | C7 | H10 | 119.4° | 119.9° |
| C9 | C8 | C7 | C6 | 148.1° | 180.0° |
| C9 | C8 | C7 | H7 | 91.7° | 60.0° |
| C9 | C8 | C7 | H8 | 28.0° | 60.0° |
| C9 | C8 | H9 | H10 | 121.6° | 120.0° |
| C8 | C9 | C10 | H11 | 0.7° | 0.1° |
| C8 | C9 | C24 | H18 | 0.7° | 0.5° |
| C4 | C3 | C1 | H46 | 119.5° | 119.9° |
| C4 | C3 | C1 | H47 | 119.5° | 120.0° |
| C3 | C4 | C5 | H1 | 120.3° | 120.0° |
| C3 | C4 | C5 | H2 | 120.3° | 120.0° |
| C3 | C4 | C5 | C6 | 150.2° | 180.0° |
| C4 | C3 | C1 | N25 | 152.8° | 180.0° |
| C4 | C3 | C1 | O2 | 25.3° | 0.1° |
| C3 | C4 | H1 | H2 | 119.2° | 120.0° |
| C3 | C4 | C5 | H3 | 30.7° | 60.0° |
| C3 | C4 | C5 | H4 | 90.2° | 60.0° |
| C4 | C3 | H46 | H47 | 121.4° | 120.0° |
| C1 | C3 | C4 | C5 | 167.7° | 180.0° |
| C3 | C1 | N25 | O2 | 178.0° | 179.9° |
| C3 | C1 | N25 | C26 | 180.0° | 180.0° |
| C1 | C3 | C4 | H1 | 72.0° | 60.1° |
| C1 | C3 | C4 | H2 | 47.5° | 60.0° |
| C3 | C1 | N25 | H45 | 0.1° | 0.1° |
| C1 | C3 | H46 | H47 | 121.4° | 120.1° |
| C8 | C7 | C6 | C5 | 91.6° | 180.0° |
| C8 | C7 | C6 | H7 | 120.1° | 120.0° |
| C8 | C7 | C6 | H8 | 120.1° | 120.0° |
| C8 | C7 | C6 | H5 | 148.4° | 60.0° |
| C8 | C7 | C6 | H6 | 28.4° | 60.0° |
| C8 | C7 | H7 | H8 | 119.6° | 120.0° |
| C7 | C8 | H9 | H10 | 121.6° | 120.0° |
| C4 | C5 | C6 | H3 | 119.5° | 120.0° |
| C4 | C5 | C6 | H4 | 119.5° | 120.0° |
| C4 | C5 | C6 | C7 | 140.6° | NaN° |
| C5 | C4 | H1 | H2 | 119.2° | 120.0° |
| C4 | C5 | H3 | H4 | 121.4° | 120.0° |
| C4 | C5 | C6 | H5 | 20.6° | 60.0° |
| C4 | C5 | C6 | H6 | 99.4° | 60.0° |
| C5 | C4 | C3 | H46 | 72.8° | 60.0° |
| C5 | C4 | C3 | H47 | 48.2° | 60.0° |
| C5 | C6 | C7 | H5 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6 | 120.0° | 120.0° |
| C6 | C5 | C4 | H1 | 89.5° | 60.0° |
| C6 | C5 | C4 | H2 | 30.0° | 60.0° |
| C6 | C5 | H3 | H4 | 121.4° | 120.0° |
| C5 | C6 | H5 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | H7 | 148.3° | 60.0° |
| C5 | C6 | C7 | H8 | 28.6° | 60.0° |
| O47 | C46 | C26 | N25 | 68.4° | 54.0° |
| O47 | C46 | C26 | C48 | 115.5° | 120.0° |
| O47 | C46 | C26 | H40 | 123.9° | 119.9° |
| O47 | C46 | C48 | H40 | 125.0° | 120.0° |
| O47 | C46 | C26 | C27 | 175.1° | 174.0° |
| O47 | C46 | C26 | H19 | 54.7° | 66.0° |
| O47 | C46 | C48 | H41 | 180.0° | 65.5° |
| O47 | C46 | C48 | H42 | 60.0° | 54.5° |
| O47 | C46 | C48 | H43 | 60.0° | 174.6° |
| C7 | C6 | C5 | H3 | 99.9° | 60.0° |
| C7 | C6 | C5 | H4 | 21.1° | 60.0° |
| C7 | C6 | H5 | H6 | 120.0° | 120.0° |
| C6 | C7 | H7 | H8 | 119.7° | 120.0° |
| C6 | C7 | C8 | H9 | 28.7° | 60.0° |
| C6 | C7 | C8 | H10 | 92.4° | 60.1° |
| C1 | N25 | C26 | H45 | 180.0° | 180.0° |
| C1 | N25 | C26 | C46 | 159.8° | 85.0° |
| C1 | N25 | C26 | C27 | 46.7° | 155.0° |
| C1 | N25 | C26 | H19 | 77.3° | 35.0° |
| N25 | C1 | C3 | H46 | 87.7° | 60.1° |
| N25 | C1 | C3 | H47 | 33.3° | 60.0° |
| C26 | N25 | C1 | O2 | 2.1° | 0.0° |
| N25 | C26 | C46 | C27 | 116.5° | 120.0° |
| N25 | C26 | C46 | H19 | 123.1° | 120.0° |
| N25 | C26 | C46 | C48 | 176.1° | 174.0° |
| N25 | C26 | C27 | H19 | 124.3° | 120.0° |
| N25 | C26 | C27 | O28 | 39.7° | 26.6° |
| N25 | C26 | C27 | N29 | 138.4° | 153.4° |
| N25 | C26 | C46 | H40 | 55.5° | 65.9° |
| O2 | C1 | N25 | H45 | 177.9° | 180.0° |
| O2 | C1 | C3 | H46 | 94.3° | 120.0° |
| O2 | C1 | C3 | H47 | 144.8° | 119.9° |
| C26 | C46 | C48 | H40 | 120.9° | 120.0° |
| C46 | C26 | C27 | H19 | 120.6° | 120.0° |
| C46 | C26 | C27 | O28 | 75.4° | 93.4° |
| C46 | C26 | C27 | N29 | 106.4° | 86.6° |
| C26 | C46 | C48 | H41 | 66.0° | 54.5° |
| C26 | C46 | C48 | H42 | 54.0° | 174.5° |
| C26 | C46 | C48 | H43 | 174.0° | 65.4° |
| C26 | C46 | O47 | H44 | 180.0° | 60.0° |
| C46 | C26 | N25 | H45 | 20.2° | 95.0° |
| C48 | C46 | C26 | C27 | 59.6° | 66.0° |
| C48 | C46 | C26 | H19 | 60.8° | 54.0° |
| C46 | C48 | H41 | H42 | 120.0° | 120.0° |
| C46 | C48 | H41 | H43 | 120.0° | 119.9° |
| C46 | C48 | H42 | H43 | 120.0° | 120.0° |
| C48 | C46 | O47 | H44 | 67.2° | 180.0° |
| C26 | C27 | O28 | N29 | 178.0° | 180.0° |
| C26 | C27 | N29 | C30 | 178.6° | 175.0° |
| C26 | C27 | N29 | H39 | 1.4° | 4.9° |
| C27 | C26 | C46 | H40 | 61.0° | 54.1° |
| C27 | C26 | N25 | H45 | 133.3° | 25.0° |
| O28 | C27 | N29 | C30 | 0.5° | 5.0° |
| O28 | C27 | C26 | H19 | 164.0° | 146.7° |
| O28 | C27 | N29 | H39 | 179.5° | 175.1° |
| C27 | N29 | C30 | H39 | 180.0° | 179.9° |
| C27 | N29 | C30 | C45 | 121.5° | 155.0° |
| C27 | N29 | C30 | C31 | 118.8° | 85.0° |
| N29 | C27 | C26 | H19 | 14.1° | 33.3° |
| C27 | N29 | C30 | H38 | 3.3° | 34.9° |
| N29 | C30 | C45 | C31 | 120.6° | 120.0° |
| N29 | C30 | C45 | H38 | 118.6° | 120.1° |
| N29 | C30 | C31 | H38 | 121.6° | 120.0° |
| N29 | C30 | C45 | C43 | 136.3° | 162.6° |
| N29 | C30 | C31 | O32 | 16.1° | 57.6° |
| N29 | C30 | C31 | N33 | 165.1° | 122.4° |
| N29 | C30 | C45 | H36 | 15.9° | 77.4° |
| N29 | C30 | C45 | H37 | 103.4° | 42.5° |
| C45 | C30 | C31 | H38 | 119.8° | 120.0° |
| C30 | C45 | C43 | H36 | 120.3° | 120.0° |
| C30 | C45 | C43 | H37 | 120.3° | 120.0° |
| C30 | C45 | C43 | O44 | 82.8° | 100.1° |
| C45 | C30 | C31 | O32 | 102.5° | 62.4° |
| C45 | C30 | C31 | N33 | 76.2° | 117.6° |
| C30 | C45 | C43 | C42 | 162.1° | 140.0° |
| C30 | C45 | C43 | H34 | 40.0° | 19.9° |
| C30 | C45 | H36 | H37 | 119.0° | 119.9° |
| C45 | C30 | N29 | H39 | 58.5° | 24.9° |
| C31 | C30 | C45 | C43 | 103.1° | 77.5° |
| C30 | C31 | O32 | N33 | 178.8° | 180.0° |
| C30 | C31 | N33 | C34 | 179.4° | 179.8° |
| C30 | C31 | N33 | H26 | 0.6° | 0.4° |
| C31 | C30 | C45 | H36 | 136.5° | 42.6° |
| C31 | C30 | C45 | H37 | 17.2° | 162.5° |
| C31 | C30 | N29 | H39 | 61.2° | 95.0° |
| C45 | C43 | O44 | C42 | 117.0° | 120.0° |
| C45 | C43 | O44 | H34 | 121.9° | 120.0° |
| C45 | C43 | C42 | H34 | 122.0° | 120.0° |
| C45 | C43 | C42 | C41 | 100.7° | 146.8° |
| C45 | C43 | C42 | H32 | 138.9° | 26.8° |
| C45 | C43 | C42 | H33 | 19.6° | 93.2° |
| C45 | C43 | O44 | H35 | 180.0° | 180.0° |
| C43 | C45 | H36 | H37 | 119.0° | 120.0° |
| C43 | C45 | C30 | H38 | 17.7° | 42.5° |
| O44 | C43 | C42 | H34 | 122.0° | 120.0° |
| O44 | C43 | C42 | C41 | 143.3° | 93.3° |
| O44 | C43 | C42 | H32 | 22.9° | 146.7° |
| O44 | C43 | C42 | H33 | 96.4° | 26.7° |
| O44 | C43 | C45 | H36 | 37.5° | 139.9° |
| O44 | C43 | C45 | H37 | 156.9° | 19.9° |
| O32 | C31 | N33 | C34 | 1.7° | 0.2° |
| O32 | C31 | N33 | H26 | 178.3° | 179.6° |
| O32 | C31 | C30 | H38 | 137.7° | 177.6° |
| C31 | N33 | C34 | H26 | 180.0° | 179.9° |
| C31 | N33 | C34 | C35 | 101.2° | 114.5° |
| C31 | N33 | C34 | C36 | 141.4° | 125.8° |
| C31 | N33 | C34 | H22 | 18.7° | 6.1° |
| N33 | C31 | C30 | H38 | 43.6° | 2.4° |
| C43 | C42 | C41 | H32 | 120.3° | 120.0° |
| C43 | C42 | C41 | H33 | 120.3° | 120.0° |
| C43 | C42 | C41 | N40 | 55.6° | 88.1° |
| C43 | C42 | C41 | H30 | 64.2° | 152.1° |
| C43 | C42 | C41 | H31 | 175.5° | 31.7° |
| C43 | C42 | H32 | H33 | 119.0° | 120.0° |
| C42 | C43 | O44 | H35 | 63.1° | 60.0° |
| C42 | C43 | C45 | H36 | 77.6° | 19.9° |
| C42 | C43 | C45 | H37 | 41.8° | 100.0° |
| C42 | C41 | N40 | H30 | 119.8° | 119.8° |
| C42 | C41 | N40 | H31 | 119.8° | 119.9° |
| C42 | C41 | N40 | C38 | 144.1° | 83.3° |
| C42 | C41 | N40 | H29 | 35.9° | 96.6° |
| C42 | C41 | H30 | H31 | 120.6° | 120.5° |
| C41 | C42 | H32 | H33 | 119.0° | 120.0° |
| C41 | C42 | C43 | H34 | 21.2° | 26.7° |
| N33 | C34 | C35 | C36 | 120.2° | 118.8° |
| N33 | C34 | C35 | H22 | 120.4° | 120.5° |
| N33 | C34 | C36 | H22 | 122.9° | 119.7° |
| N33 | C34 | C36 | C37 | 58.6° | 82.1° |
| N33 | C34 | C36 | H20 | 178.6° | 157.9° |
| N33 | C34 | C36 | H21 | 61.4° | 37.9° |
| N33 | C34 | C35 | H23 | 180.0° | 178.8° |
| N33 | C34 | C35 | H24 | 60.0° | 61.2° |
| N33 | C34 | C35 | H25 | 60.0° | 58.9° |
| C41 | N40 | C38 | H29 | 180.0° | 180.0° |
| C41 | N40 | C38 | C37 | 178.6° | 179.9° |
| C41 | N40 | C38 | O39 | 5.0° | 0.0° |
| N40 | C41 | H30 | H31 | 120.5° | 120.3° |
| N40 | C41 | C42 | H32 | 176.0° | 31.9° |
| N40 | C41 | C42 | H33 | 64.7° | 151.9° |
| N40 | C38 | C37 | O39 | 176.4° | 179.9° |
| N40 | C38 | C37 | C36 | 124.0° | 174.7° |
| N40 | C38 | C37 | H27 | 115.5° | 54.7° |
| N40 | C38 | C37 | H28 | 3.6° | 65.3° |
| C38 | N40 | C41 | H30 | 24.3° | 156.9° |
| C38 | N40 | C41 | H31 | 96.1° | 36.5° |
| C35 | C34 | C36 | H22 | 119.0° | 120.6° |
| C35 | C34 | C36 | C37 | 176.7° | 158.2° |
| C35 | C34 | C36 | H20 | 63.4° | 38.2° |
| C35 | C34 | C36 | H21 | 56.7° | 81.8° |
| C34 | C35 | H23 | H24 | 120.0° | 120.1° |
| C34 | C35 | H23 | H25 | 120.0° | 120.0° |
| C34 | C35 | H24 | H25 | 120.0° | 120.1° |
| C35 | C34 | N33 | H26 | 78.8° | 65.7° |
| C34 | C36 | C37 | C38 | 97.8° | 80.4° |
| C34 | C36 | C37 | H20 | 120.0° | 120.0° |
| C34 | C36 | C37 | H21 | 120.0° | 120.0° |
| C34 | C36 | H20 | H21 | 120.1° | 120.0° |
| C36 | C34 | C35 | H23 | 59.8° | 60.0° |
| C36 | C34 | C35 | H24 | 179.8° | 180.0° |
| C36 | C34 | C35 | H25 | 60.2° | 59.9° |
| C36 | C34 | N33 | H26 | 38.5° | 54.1° |
| C34 | C36 | C37 | H27 | 141.7° | 39.6° |
| C34 | C36 | C37 | H28 | 22.6° | 159.6° |
| C38 | C37 | C36 | H27 | 120.5° | 120.0° |
| C38 | C37 | C36 | H28 | 120.4° | 120.0° |
| C38 | C37 | C36 | H20 | 142.2° | 159.6° |
| C38 | C37 | C36 | H21 | 22.2° | 39.6° |
| C38 | C37 | H27 | H28 | 118.6° | 119.9° |
| C37 | C38 | N40 | H29 | 1.4° | 0.0° |
| C36 | C37 | C38 | O39 | 59.6° | 5.2° |
| C37 | C36 | H20 | H21 | 120.1° | 120.0° |
| C37 | C36 | C34 | H22 | 64.3° | 37.6° |
| C36 | C37 | H27 | H28 | 118.6° | 120.0° |
| O39 | C38 | C37 | H27 | 60.9° | 125.3° |
| O39 | C38 | C37 | H28 | 180.0° | 114.8° |
| O39 | C38 | N40 | H29 | 175.0° | 180.0° |
| H1 | C4 | C5 | H3 | 151.0° | 60.0° |
| H1 | C4 | C5 | H4 | 30.0° | NaN° |
| H1 | C4 | C3 | H46 | 47.5° | 180.0° |
| H1 | C4 | C3 | H47 | 168.5° | 60.0° |
| H2 | C4 | C5 | H3 | 89.5° | 180.0° |
| H2 | C4 | C5 | H4 | 149.5° | 60.0° |
| H2 | C4 | C3 | H46 | 167.0° | 60.0° |
| H2 | C4 | C3 | H47 | 72.1° | 180.0° |
| H3 | C5 | C6 | H5 | 140.1° | 180.0° |
| H3 | C5 | C6 | H6 | 20.1° | 60.0° |
| H4 | C5 | C6 | H5 | 98.9° | 60.0° |
| H4 | C5 | C6 | H6 | 141.1° | 180.0° |
| H5 | C6 | C7 | H7 | 28.3° | 180.0° |
| H5 | C6 | C7 | H8 | 91.5° | 60.0° |
| H6 | C6 | C7 | H7 | 91.7° | 60.0° |
| H6 | C6 | C7 | H8 | 148.5° | 180.0° |
| H7 | C7 | C8 | H9 | 148.8° | 180.0° |
| H7 | C7 | C8 | H10 | 27.7° | 59.9° |
| H8 | C7 | C8 | H9 | 91.5° | 60.0° |
| H8 | C7 | C8 | H10 | 147.4° | 180.0° |
| H11 | C10 | C11 | H48 | 0.4° | 0.3° |
| H12 | C13 | C24 | H18 | 0.1° | 0.1° |
| H13 | C17 | C18 | H51 | 0.1° | 0.3° |
| H14 | C20 | H15 | H16 | 120.0° | 120.0° |
| H17 | C22 | C23 | H52 | 0.1° | 0.5° |
| H19 | C26 | C46 | H40 | 178.6° | 174.1° |
| H19 | C26 | N25 | H45 | 102.7° | 145.0° |
| H20 | C36 | C34 | H22 | 55.7° | 82.4° |
| H20 | C36 | C37 | H27 | 21.7° | 80.4° |
| H20 | C36 | C37 | H28 | 97.3° | 39.7° |
| H21 | C36 | C34 | H22 | 175.7° | 157.5° |
| H21 | C36 | C37 | H27 | 98.3° | 159.6° |
| H21 | C36 | C37 | H28 | 142.6° | 80.4° |
| H22 | C34 | C35 | H23 | 59.5° | 60.6° |
| H22 | C34 | C35 | H24 | 60.4° | 59.4° |
| H22 | C34 | C35 | H25 | 179.5° | 179.4° |
| H22 | C34 | N33 | H26 | 161.3° | 173.8° |
| H23 | C35 | H24 | H25 | 120.0° | 119.9° |
| H29 | N40 | C41 | H30 | 155.7° | 23.1° |
| H29 | N40 | C41 | H31 | 83.9° | 143.5° |
| H30 | C41 | C42 | H32 | 56.2° | 87.9° |
| H30 | C41 | C42 | H33 | 175.5° | 32.1° |
| H31 | C41 | C42 | H32 | 64.2° | 151.7° |
| H31 | C41 | C42 | H33 | 55.1° | 88.3° |
| H32 | C42 | C43 | H34 | 99.1° | 93.2° |
| H33 | C42 | C43 | H34 | 141.6° | 146.7° |
| H34 | C43 | O44 | H35 | 58.1° | 60.0° |
| H34 | C43 | C45 | H36 | 160.4° | 100.1° |
| H34 | C43 | C45 | H37 | 80.3° | 139.9° |
| H36 | C45 | C30 | H38 | 102.7° | 162.5° |
| H37 | C45 | C30 | H38 | 138.0° | 77.6° |
| H38 | C30 | N29 | H39 | 176.7° | 145.0° |
| H40 | C46 | C48 | H41 | 55.0° | 174.6° |
| H40 | C46 | C48 | H42 | 175.0° | 65.4° |
| H40 | C46 | C48 | H43 | 65.0° | 54.6° |
| H40 | C46 | O47 | H44 | 56.8° | 60.0° |
| H41 | C48 | H42 | H43 | 119.9° | 120.0° |
| H49 | N14 | N15 | H50 | 176.1° | 180.0° |
