VOT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| N15 | C16 | sing | 1.40Å | 1.31Å | |
| N15 | N14 | sing | 1.40Å | 1.35Å | |
| C3 | C9 | sing | 1.51Å | 1.36Å | |
| C3 | C1 | sing | 1.51Å | 1.47Å | |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.38Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | N14 | sing | 1.40Å | 1.32Å | |
| C12 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
| O47 | C46 | sing | 1.43Å | 1.39Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | N25 | sing | 1.35Å | 1.32Å | |
| C1 | O2 | doub | 1.21Å | 1.21Å | |
| N25 | C26 | sing | 1.46Å | 1.45Å | |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C46 | sing | 1.53Å | 1.48Å | |
| C26 | C27 | sing | 1.51Å | 1.49Å | |
| C46 | C48 | sing | 1.53Å | 1.50Å | |
| C27 | O28 | doub | 1.21Å | 1.21Å | |
| C27 | N29 | sing | 1.35Å | 1.32Å | |
| N29 | C30 | sing | 1.47Å | 1.46Å | |
| C30 | C45 | sing | 1.53Å | 1.51Å | |
| C30 | C31 | sing | 1.51Å | 1.39Å | |
| C45 | C43 | sing | 1.53Å | 1.49Å | |
| O44 | C43 | sing | 1.43Å | 1.37Å | |
| O32 | C31 | doub | 1.21Å | 1.22Å | |
| C31 | N33 | sing | 1.38Å | 1.37Å | |
| C43 | C42 | sing | 1.53Å | 1.46Å | |
| C42 | C41 | sing | 1.53Å | 1.49Å | |
| N33 | C34 | sing | 1.49Å | 1.45Å | |
| C41 | N40 | sing | 1.48Å | 1.45Å | |
| N40 | C38 | sing | 1.37Å | 1.37Å | |
| C34 | C35 | sing | 1.53Å | 1.50Å | |
| C34 | C36 | sing | 1.53Å | 1.50Å | |
| C37 | C38 | sing | 1.51Å | 1.35Å | |
| C37 | C36 | sing | 1.53Å | 1.46Å | |
| C38 | O39 | doub | 1.21Å | 1.21Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C36 | H12 | sing | 1.09Å | 1.10Å | |
| C36 | H13 | sing | 1.09Å | 1.10Å | |
| C34 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| N33 | H18 | sing | 0.97Å | 1.00Å | |
| C37 | H19 | sing | 1.09Å | 1.10Å | |
| C37 | H20 | sing | 1.09Å | 1.10Å | |
| N40 | H21 | sing | 0.97Å | 1.00Å | |
| C41 | H22 | sing | 1.09Å | 1.10Å | |
| C41 | H23 | sing | 1.09Å | 1.10Å | |
| C42 | H24 | sing | 1.09Å | 1.10Å | |
| C42 | H25 | sing | 1.09Å | 1.10Å | |
| C43 | H26 | sing | 1.09Å | 1.10Å | |
| O44 | H27 | sing | 0.97Å | 0.95Å | |
| C45 | H28 | sing | 1.09Å | 1.10Å | |
| C45 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| N29 | H31 | sing | 0.97Å | 1.00Å | |
| C46 | H32 | sing | 1.09Å | 1.10Å | |
| C48 | H33 | sing | 1.09Å | 1.10Å | |
| C48 | H34 | sing | 1.09Å | 1.10Å | |
| C48 | H35 | sing | 1.09Å | 1.10Å | |
| O47 | H36 | sing | 0.97Å | 0.95Å | |
| N25 | H37 | sing | 0.97Å | 1.00Å | |
| C3 | H38 | sing | 1.09Å | 1.10Å | |
| C3 | H39 | sing | 1.09Å | 1.10Å | |
| C11 | H40 | sing | 1.08Å | 1.08Å | |
| N14 | H41 | sing | 0.97Å | 1.00Å | |
| N15 | H42 | sing | 0.97Å | 1.00Å | |
| C23 | H43 | sing | 1.08Å | 1.08Å | |
| C18 | H44 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C16 | 120.1° | 119.9° |
| C23 | C22 | C19 | 120.3° | 120.0° |
| C23 | C22 | H9 | 119.8° | 120.0° |
| C22 | C23 | H43 | 120.0° | 120.0° |
| C23 | C16 | N15 | 119.7° | 120.1° |
| C23 | C16 | C17 | 119.9° | 119.8° |
| C16 | C23 | H43 | 120.0° | 120.0° |
| C22 | C19 | C20 | 120.4° | 119.9° |
| C22 | C19 | C18 | 119.4° | 120.2° |
| C19 | C22 | H9 | 119.9° | 120.0° |
| C13 | C24 | C9 | 120.0° | 120.1° |
| C24 | C13 | C12 | 120.3° | 120.0° |
| C24 | C13 | H2 | 119.8° | 120.0° |
| C13 | C24 | H10 | 120.0° | 120.0° |
| C24 | C9 | C3 | 119.4° | 119.9° |
| C24 | C9 | C10 | 119.7° | 120.2° |
| C9 | C24 | H10 | 120.0° | 119.9° |
| C13 | C12 | N14 | 119.4° | 120.1° |
| C13 | C12 | C11 | 119.6° | 119.8° |
| C12 | C13 | H2 | 119.9° | 120.0° |
| C16 | N15 | N14 | 119.9° | 120.0° |
| N15 | C16 | C17 | 120.3° | 120.1° |
| C16 | N15 | H42 | 106.8° | 120.0° |
| N15 | N14 | C12 | 111.0° | 120.0° |
| N15 | N14 | H41 | 109.0° | 120.0° |
| N14 | N15 | H42 | 106.8° | 120.0° |
| C9 | C3 | C1 | 110.1° | 109.5° |
| C3 | C9 | C10 | 120.9° | 119.9° |
| C9 | C3 | H38 | 109.3° | 109.5° |
| C9 | C3 | H39 | 109.3° | 109.4° |
| C3 | C1 | N25 | 114.7° | 120.0° |
| C3 | C1 | O2 | 118.5° | 120.0° |
| C1 | C3 | H38 | 109.3° | 109.5° |
| C1 | C3 | H39 | 109.3° | 109.5° |
| C16 | C17 | C18 | 119.9° | 119.9° |
| C16 | C17 | H3 | 120.0° | 120.1° |
| C20 | C19 | C18 | 120.2° | 120.0° |
| C19 | C20 | C21 | 109.4° | 109.5° |
| C19 | C20 | H4 | 109.5° | 109.5° |
| C19 | C20 | H5 | 109.5° | 109.5° |
| C19 | C18 | C17 | 120.4° | 120.1° |
| C19 | C18 | H44 | 119.8° | 119.9° |
| C21 | C20 | H4 | 109.5° | 109.5° |
| C21 | C20 | H5 | 109.5° | 109.5° |
| C20 | C21 | H6 | 109.5° | 109.5° |
| C20 | C21 | H7 | 109.5° | 109.5° |
| C20 | C21 | H8 | 109.4° | 109.5° |
| C9 | C10 | C11 | 120.5° | 120.1° |
| C9 | C10 | H1 | 119.8° | 120.0° |
| N14 | C12 | C11 | 120.9° | 120.1° |
| C12 | N14 | H41 | 109.1° | 120.0° |
| C12 | C11 | C10 | 120.0° | 119.9° |
| C12 | C11 | H40 | 120.0° | 120.0° |
| O47 | C46 | C26 | 105.7° | 109.5° |
| O47 | C46 | C48 | 106.7° | 109.5° |
| O47 | C46 | H32 | 112.6° | 109.5° |
| C46 | O47 | H36 | 109.5° | 114.0° |
| C18 | C17 | H3 | 120.0° | 120.1° |
| C17 | C18 | H44 | 119.8° | 119.9° |
| N25 | C1 | O2 | 126.8° | 120.0° |
| C1 | N25 | C26 | 124.6° | 120.0° |
| C1 | N25 | H37 | 117.7° | 120.0° |
| N25 | C26 | C46 | 109.4° | 109.5° |
| N25 | C26 | C27 | 113.7° | 109.5° |
| N25 | C26 | H11 | 108.1° | 109.5° |
| C26 | N25 | H37 | 117.7° | 120.0° |
| C11 | C10 | H1 | 119.7° | 119.9° |
| C10 | C11 | H40 | 120.0° | 120.0° |
| C46 | C26 | C27 | 110.2° | 109.5° |
| C26 | C46 | C48 | 109.6° | 109.5° |
| C46 | C26 | H11 | 107.7° | 109.4° |
| C26 | C46 | H32 | 111.2° | 109.4° |
| C26 | C27 | O28 | 122.3° | 120.0° |
| C26 | C27 | N29 | 113.2° | 120.0° |
| C27 | C26 | H11 | 107.6° | 109.5° |
| C48 | C46 | H32 | 110.9° | 109.5° |
| C46 | C48 | H33 | 109.5° | 109.5° |
| C46 | C48 | H34 | 109.5° | 109.5° |
| C46 | C48 | H35 | 109.5° | 109.5° |
| O28 | C27 | N29 | 124.4° | 120.0° |
| C27 | N29 | C30 | 124.1° | 120.0° |
| C27 | N29 | H31 | 117.9° | 120.0° |
| N29 | C30 | C45 | 110.6° | 109.5° |
| N29 | C30 | C31 | 109.4° | 109.4° |
| N29 | C30 | H30 | 108.4° | 109.4° |
| C30 | N29 | H31 | 118.0° | 120.0° |
| C45 | C30 | C31 | 111.1° | 109.5° |
| C30 | C45 | C43 | 110.3° | 109.4° |
| C30 | C45 | H28 | 109.3° | 109.5° |
| C30 | C45 | H29 | 109.2° | 109.5° |
| C45 | C30 | H30 | 107.8° | 109.5° |
| C30 | C31 | O32 | 123.2° | 121.0° |
| C30 | C31 | N33 | 118.7° | 118.1° |
| C31 | C30 | H30 | 109.4° | 109.5° |
| C45 | C43 | O44 | 108.7° | 109.5° |
| C45 | C43 | C42 | 110.1° | 109.4° |
| C45 | C43 | H26 | 109.9° | 109.5° |
| C43 | C45 | H28 | 109.3° | 109.5° |
| C43 | C45 | H29 | 109.3° | 109.5° |
| O44 | C43 | C42 | 105.9° | 109.5° |
| O44 | C43 | H26 | 111.7° | 109.5° |
| C43 | O44 | H27 | 109.5° | 114.0° |
| O32 | C31 | N33 | 118.1° | 120.9° |
| C31 | N33 | C34 | 118.5° | 113.3° |
| C31 | N33 | H18 | 120.8° | 123.3° |
| C43 | C42 | C41 | 110.1° | 109.5° |
| C43 | C42 | H24 | 109.3° | 109.5° |
| C43 | C42 | H25 | 109.3° | 109.5° |
| C42 | C43 | H26 | 110.3° | 109.5° |
| C42 | C41 | N40 | 108.8° | 108.6° |
| C42 | C41 | H22 | 109.6° | 109.6° |
| C42 | C41 | H23 | 109.6° | 109.7° |
| C41 | C42 | H24 | 109.3° | 109.4° |
| C41 | C42 | H25 | 109.3° | 109.5° |
| N33 | C34 | C35 | 107.1° | 109.7° |
| N33 | C34 | C36 | 112.8° | 108.3° |
| N33 | C34 | H14 | 110.4° | 109.8° |
| C34 | N33 | H18 | 120.7° | 123.4° |
| C41 | N40 | C38 | 121.7° | 115.3° |
| C41 | N40 | H21 | 119.1° | 122.3° |
| N40 | C41 | H22 | 109.6° | 109.6° |
| N40 | C41 | H23 | 109.6° | 109.6° |
| N40 | C38 | C37 | 116.9° | 118.7° |
| N40 | C38 | O39 | 121.2° | 120.6° |
| C38 | N40 | H21 | 119.1° | 122.4° |
| C35 | C34 | C36 | 107.2° | 109.7° |
| C35 | C34 | H14 | 109.6° | 109.7° |
| C34 | C35 | H15 | 109.5° | 109.4° |
| C34 | C35 | H16 | 109.5° | 109.4° |
| C34 | C35 | H17 | 109.5° | 109.5° |
| C34 | C36 | C37 | 110.2° | 109.5° |
| C34 | C36 | H12 | 109.3° | 109.5° |
| C34 | C36 | H13 | 109.3° | 109.5° |
| C36 | C34 | H14 | 109.7° | 109.7° |
| C38 | C37 | C36 | 112.4° | 109.4° |
| C37 | C38 | O39 | 121.8° | 120.7° |
| C38 | C37 | H19 | 108.7° | 109.5° |
| C38 | C37 | H20 | 108.7° | 109.5° |
| C37 | C36 | H12 | 109.3° | 109.4° |
| C37 | C36 | H13 | 109.3° | 109.5° |
| C36 | C37 | H19 | 108.8° | 109.4° |
| C36 | C37 | H20 | 108.7° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.4° |
| H6 | C21 | H7 | 109.5° | 109.4° |
| H6 | C21 | H8 | 109.4° | 109.4° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H12 | C36 | H13 | 109.5° | 109.4° |
| H15 | C35 | H16 | 109.5° | 109.5° |
| H15 | C35 | H17 | 109.4° | 109.5° |
| H16 | C35 | H17 | 109.5° | 109.5° |
| H19 | C37 | H20 | 109.5° | 109.5° |
| H22 | C41 | H23 | 109.5° | 109.6° |
| H24 | C42 | H25 | 109.5° | 109.5° |
| H28 | C45 | H29 | 109.5° | 109.5° |
| H33 | C48 | H34 | 109.5° | 109.5° |
| H33 | C48 | H35 | 109.5° | 109.5° |
| H34 | C48 | H35 | 109.4° | 109.5° |
| H38 | C3 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C16 | H43 | 180.0° | 180.0° |
| C23 | C22 | C19 | H9 | 180.0° | 179.5° |
| C22 | C23 | C16 | N15 | 178.7° | 180.0° |
| C22 | C23 | C16 | C17 | 1.0° | 0.1° |
| C23 | C22 | C19 | C20 | 179.6° | 179.4° |
| C23 | C22 | C19 | C18 | 0.3° | 0.5° |
| C16 | C23 | C22 | C19 | 0.6° | 0.2° |
| C23 | C16 | N15 | C17 | 177.8° | 179.9° |
| C23 | C16 | N15 | N14 | 170.1° | 0.1° |
| C23 | C16 | C17 | C18 | 1.1° | 0.1° |
| C23 | C16 | C17 | H3 | 179.0° | 179.7° |
| C16 | C23 | C22 | H9 | 179.4° | 179.7° |
| C23 | C16 | N15 | H42 | 48.7° | 180.0° |
| C22 | C19 | C20 | C18 | 179.3° | 180.0° |
| C22 | C19 | C20 | C21 | 158.5° | 90.0° |
| C22 | C19 | C18 | C17 | 0.5° | 0.5° |
| C22 | C19 | C20 | H4 | 81.5° | 30.0° |
| C22 | C19 | C20 | H5 | 38.5° | 150.0° |
| C19 | C22 | C23 | H43 | 179.4° | 179.7° |
| C22 | C19 | C18 | H44 | 179.6° | 179.4° |
| C13 | C24 | C9 | H10 | 180.0° | 179.3° |
| C24 | C13 | C12 | H2 | 180.0° | 179.9° |
| C13 | C24 | C9 | C3 | 178.6° | 179.5° |
| C13 | C24 | C9 | C10 | 0.4° | 0.5° |
| C24 | C13 | C12 | N14 | 177.8° | 180.0° |
| C24 | C13 | C12 | C11 | 1.8° | 0.6° |
| C9 | C24 | C13 | C12 | 0.8° | 0.8° |
| C24 | C9 | C3 | C10 | 178.1° | 179.9° |
| C24 | C9 | C3 | C1 | 139.8° | 90.0° |
| C24 | C9 | C10 | C11 | 0.5° | 0.0° |
| C24 | C9 | C10 | H1 | 179.5° | 179.8° |
| C9 | C24 | C13 | H2 | 179.2° | 179.3° |
| C24 | C9 | C3 | H38 | 19.7° | 30.1° |
| C24 | C9 | C3 | H39 | 100.1° | 150.0° |
| C13 | C12 | N14 | N15 | 47.9° | 180.0° |
| C13 | C12 | N14 | C11 | 175.9° | 179.4° |
| C13 | C12 | C11 | C10 | 1.7° | 0.1° |
| C12 | C13 | C24 | H10 | 179.2° | 180.0° |
| C13 | C12 | C11 | H40 | 178.3° | 180.0° |
| C13 | C12 | N14 | H41 | 168.1° | 0.1° |
| C16 | N15 | N14 | H42 | 121.4° | 179.9° |
| C16 | N15 | N14 | C12 | 174.6° | NaN° |
| N15 | C16 | C17 | C18 | 178.8° | 179.9° |
| N15 | C16 | C17 | H3 | 1.2° | 0.2° |
| C16 | N15 | N14 | H41 | 54.4° | 0.1° |
| N15 | C16 | C23 | H43 | 1.2° | 0.1° |
| N14 | N15 | C16 | C17 | 12.1° | 180.0° |
| N15 | N14 | C12 | H41 | 120.2° | 179.9° |
| N15 | N14 | C12 | C11 | 128.1° | 0.6° |
| C9 | C3 | C1 | H38 | 120.1° | 120.0° |
| C9 | C3 | C1 | H39 | 120.1° | 119.9° |
| C9 | C3 | C1 | N25 | 141.3° | 180.0° |
| C9 | C3 | C1 | O2 | 39.0° | 0.0° |
| C3 | C9 | C10 | C11 | 178.7° | 180.0° |
| C3 | C9 | C10 | H1 | 1.3° | 0.3° |
| C3 | C9 | C24 | H10 | 1.4° | 0.2° |
| C9 | C3 | H38 | H39 | 119.7° | 119.9° |
| C1 | C3 | C9 | C10 | 42.0° | 89.9° |
| C3 | C1 | N25 | O2 | 179.6° | 180.0° |
| C3 | C1 | N25 | C26 | 175.6° | 180.0° |
| C3 | C1 | N25 | H37 | 4.4° | 0.1° |
| C1 | C3 | H38 | H39 | 119.7° | 120.0° |
| C16 | C17 | C18 | C19 | 0.8° | 0.2° |
| C16 | C17 | C18 | H3 | 180.0° | 179.7° |
| C17 | C16 | N15 | H42 | 133.5° | 0.1° |
| C17 | C16 | C23 | H43 | 179.0° | 180.0° |
| C16 | C17 | C18 | H44 | 179.2° | 179.7° |
| C19 | C20 | C21 | H4 | 120.0° | 120.0° |
| C19 | C20 | C21 | H5 | 120.0° | 120.0° |
| C20 | C19 | C18 | C17 | 179.7° | 179.4° |
| C19 | C20 | H4 | H5 | 120.0° | 120.0° |
| C19 | C20 | C21 | H6 | 180.0° | 60.0° |
| C19 | C20 | C21 | H7 | 60.0° | 60.0° |
| C19 | C20 | C21 | H8 | 60.0° | 180.0° |
| C20 | C19 | C22 | H9 | 0.4° | 0.0° |
| C20 | C19 | C18 | H44 | 0.3° | 0.6° |
| C18 | C19 | C20 | C21 | 20.8° | 90.0° |
| C19 | C18 | C17 | H44 | 180.0° | 180.0° |
| C19 | C18 | C17 | H3 | 179.2° | 180.0° |
| C18 | C19 | C20 | H4 | 99.2° | 150.0° |
| C18 | C19 | C20 | H5 | 140.8° | 30.0° |
| C18 | C19 | C22 | H9 | 179.7° | 180.0° |
| C21 | C20 | H4 | H5 | 120.1° | 120.0° |
| C20 | C21 | H6 | H7 | 120.0° | 120.0° |
| C20 | C21 | H6 | H8 | 120.0° | 120.0° |
| C20 | C21 | H7 | H8 | 119.9° | 120.1° |
| C9 | C10 | C11 | C12 | 0.5° | 0.2° |
| C9 | C10 | C11 | H1 | 180.0° | 179.7° |
| C10 | C9 | C24 | H10 | 179.6° | 179.7° |
| C10 | C9 | C3 | H38 | 162.1° | 150.0° |
| C10 | C9 | C3 | H39 | 78.1° | 30.1° |
| C9 | C10 | C11 | H40 | 179.5° | 179.7° |
| N14 | C12 | C11 | C10 | 177.6° | 179.5° |
| N14 | C12 | C13 | H2 | 2.2° | 0.1° |
| N14 | C12 | C11 | H40 | 2.4° | 0.6° |
| C12 | N14 | N15 | H42 | 63.9° | 0.1° |
| C12 | C11 | C10 | H40 | 180.0° | 179.9° |
| C12 | C11 | C10 | H1 | 179.5° | 180.0° |
| C11 | C12 | C13 | H2 | 178.2° | 179.5° |
| C11 | C12 | N14 | H41 | 7.9° | 179.5° |
| O47 | C46 | C26 | N25 | 55.5° | 53.8° |
| O47 | C46 | C26 | C48 | 114.6° | 120.0° |
| O47 | C46 | C26 | H32 | 122.5° | 120.0° |
| O47 | C46 | C26 | C27 | 178.9° | 173.8° |
| O47 | C46 | C48 | H32 | 123.0° | 120.0° |
| O47 | C46 | C26 | H11 | 61.8° | 66.2° |
| O47 | C46 | C48 | H33 | 180.0° | 66.9° |
| O47 | C46 | C48 | H34 | 60.0° | 53.1° |
| O47 | C46 | C48 | H35 | 60.0° | 173.1° |
| C1 | N25 | C26 | H37 | 180.0° | 179.9° |
| C1 | N25 | C26 | C46 | 153.8° | 85.0° |
| C1 | N25 | C26 | C27 | 30.2° | 155.0° |
| C1 | N25 | C26 | H11 | 89.1° | 34.9° |
| N25 | C1 | C3 | H38 | 98.6° | 60.0° |
| N25 | C1 | C3 | H39 | 21.2° | 60.0° |
| O2 | C1 | N25 | C26 | 4.1° | 0.1° |
| O2 | C1 | N25 | H37 | 175.9° | 179.9° |
| O2 | C1 | C3 | H38 | 81.1° | 120.0° |
| O2 | C1 | C3 | H39 | 159.1° | 120.0° |
| N25 | C26 | C46 | C27 | 125.6° | 120.0° |
| N25 | C26 | C46 | H11 | 117.3° | 120.0° |
| N25 | C26 | C27 | H11 | 119.7° | 120.0° |
| N25 | C26 | C46 | C48 | 170.2° | 173.8° |
| N25 | C26 | C27 | O28 | 35.5° | 23.9° |
| N25 | C26 | C27 | N29 | 139.9° | 156.0° |
| N25 | C26 | C46 | H32 | 66.9° | 66.2° |
| C46 | C26 | C27 | H11 | 117.2° | 119.9° |
| C26 | C46 | C48 | H32 | 123.1° | 120.0° |
| C46 | C26 | C27 | O28 | 87.6° | 96.1° |
| C46 | C26 | C27 | N29 | 97.0° | 84.0° |
| C26 | C46 | C48 | H33 | 66.0° | 53.1° |
| C26 | C46 | C48 | H34 | 54.0° | 173.1° |
| C26 | C46 | C48 | H35 | 174.0° | 66.8° |
| C26 | C46 | O47 | H36 | 180.0° | 60.0° |
| C46 | C26 | N25 | H37 | 26.2° | 95.1° |
| C27 | C26 | C46 | C48 | 64.2° | 66.2° |
| C26 | C27 | O28 | N29 | 174.9° | 179.9° |
| C26 | C27 | N29 | C30 | 179.0° | 175.0° |
| C26 | C27 | N29 | H31 | 1.1° | 5.0° |
| C27 | C26 | C46 | H32 | 58.7° | 53.8° |
| C27 | C26 | N25 | H37 | 149.8° | 24.9° |
| C48 | C46 | C26 | H11 | 52.8° | 53.8° |
| C46 | C48 | H33 | H34 | 120.0° | 120.0° |
| C46 | C48 | H33 | H35 | 120.0° | 120.0° |
| C46 | C48 | H34 | H35 | 120.0° | 120.0° |
| C48 | C46 | O47 | H36 | 63.4° | 180.0° |
| O28 | C27 | N29 | C30 | 5.8° | 4.9° |
| O28 | C27 | C26 | H11 | 155.2° | 144.0° |
| O28 | C27 | N29 | H31 | 174.2° | 175.1° |
| C27 | N29 | C30 | H31 | 180.0° | 180.0° |
| C27 | N29 | C30 | C45 | 107.3° | 155.0° |
| C27 | N29 | C30 | C31 | 129.9° | 84.9° |
| N29 | C27 | C26 | H11 | 20.2° | 35.9° |
| C27 | N29 | C30 | H30 | 10.6° | 35.0° |
| N29 | C30 | C45 | C31 | 121.7° | 120.0° |
| N29 | C30 | C45 | H30 | 118.4° | 119.9° |
| N29 | C30 | C31 | H30 | 118.7° | 119.9° |
| N29 | C30 | C45 | C43 | 136.0° | 162.5° |
| N29 | C30 | C31 | O32 | 27.0° | 57.7° |
| N29 | C30 | C31 | N33 | 151.8° | 122.4° |
| N29 | C30 | C45 | H28 | 15.9° | 77.5° |
| N29 | C30 | C45 | H29 | 103.8° | 42.5° |
| C45 | C30 | C31 | H30 | 118.9° | 120.1° |
| C30 | C45 | C43 | H28 | 120.1° | 120.0° |
| C30 | C45 | C43 | H29 | 120.1° | 120.0° |
| C30 | C45 | C43 | O44 | 85.6° | 100.1° |
| C45 | C30 | C31 | O32 | 95.4° | 62.3° |
| C45 | C30 | C31 | N33 | 85.8° | 117.5° |
| C30 | C45 | C43 | C42 | 158.8° | 139.9° |
| C30 | C45 | C43 | H26 | 37.1° | 19.9° |
| C30 | C45 | H28 | H29 | 119.6° | 120.0° |
| C45 | C30 | N29 | H31 | 72.7° | 25.0° |
| C31 | C30 | C45 | C43 | 102.2° | 77.5° |
| C30 | C31 | O32 | N33 | 178.9° | 179.9° |
| C30 | C31 | N33 | C34 | 179.8° | 179.8° |
| C30 | C31 | N33 | H18 | 0.2° | 0.2° |
| C31 | C30 | C45 | H28 | 137.6° | 42.5° |
| C31 | C30 | C45 | H29 | 17.9° | 162.5° |
| C31 | C30 | N29 | H31 | 50.1° | 95.1° |
| C45 | C43 | O44 | C42 | 118.3° | 120.0° |
| C45 | C43 | O44 | H26 | 121.5° | 120.0° |
| C45 | C43 | C42 | H26 | 121.5° | 120.0° |
| C45 | C43 | C42 | C41 | 100.8° | 146.8° |
| C45 | C43 | C42 | H24 | 139.1° | 26.8° |
| C45 | C43 | C42 | H25 | 19.3° | 93.3° |
| C45 | C43 | O44 | H27 | 180.0° | 180.0° |
| C43 | C45 | H28 | H29 | 119.7° | 120.0° |
| C43 | C45 | C30 | H30 | 17.7° | 42.6° |
| O44 | C43 | C42 | H26 | 121.1° | 120.0° |
| O44 | C43 | C42 | C41 | 141.8° | 93.3° |
| O44 | C43 | C42 | H24 | 21.7° | 146.8° |
| O44 | C43 | C42 | H25 | 98.1° | 26.7° |
| O44 | C43 | C45 | H28 | 34.6° | 139.9° |
| O44 | C43 | C45 | H29 | 154.3° | 19.9° |
| O32 | C31 | N33 | C34 | 1.3° | 0.4° |
| O32 | C31 | N33 | H18 | 178.7° | 179.7° |
| O32 | C31 | C30 | H30 | 145.7° | 177.6° |
| C31 | N33 | C34 | H18 | 180.0° | 180.0° |
| C31 | N33 | C34 | C35 | 114.8° | 114.5° |
| C31 | N33 | C34 | C36 | 127.5° | 125.8° |
| C31 | N33 | C34 | H14 | 4.5° | 6.2° |
| N33 | C31 | C30 | H30 | 33.1° | 2.5° |
| C43 | C42 | C41 | H24 | 120.1° | 120.0° |
| C43 | C42 | C41 | H25 | 120.1° | 120.0° |
| C43 | C42 | C41 | N40 | 56.4° | 88.1° |
| C43 | C42 | C41 | H22 | 63.5° | 152.1° |
| C43 | C42 | C41 | H23 | 176.3° | 31.7° |
| C43 | C42 | H24 | H25 | 119.7° | 120.1° |
| C42 | C43 | O44 | H27 | 61.7° | 60.1° |
| C42 | C43 | C45 | H28 | 81.1° | 19.9° |
| C42 | C43 | C45 | H29 | 38.7° | 100.1° |
| C42 | C41 | N40 | H22 | 119.9° | 119.7° |
| C42 | C41 | N40 | H23 | 119.9° | 119.9° |
| C42 | C41 | N40 | C38 | 145.1° | 83.3° |
| C42 | C41 | N40 | H21 | 34.9° | 96.6° |
| C42 | C41 | H22 | H23 | 120.3° | 120.5° |
| C41 | C42 | H24 | H25 | 119.7° | 119.9° |
| C41 | C42 | C43 | H26 | 20.7° | 26.7° |
| N33 | C34 | C35 | C36 | 121.3° | 118.8° |
| N33 | C34 | C35 | H14 | 119.8° | 120.7° |
| N33 | C34 | C36 | H14 | 123.4° | 119.7° |
| N33 | C34 | C36 | C37 | 53.6° | 82.1° |
| N33 | C34 | C36 | H12 | 173.7° | 157.9° |
| N33 | C34 | C36 | H13 | 66.5° | 37.9° |
| N33 | C34 | C35 | H15 | 180.0° | 178.8° |
| N33 | C34 | C35 | H16 | 60.0° | 61.2° |
| N33 | C34 | C35 | H17 | 60.0° | 58.8° |
| C41 | N40 | C38 | H21 | 180.0° | 180.0° |
| C41 | N40 | C38 | C37 | 179.3° | 180.0° |
| C41 | N40 | C38 | O39 | 5.0° | 0.1° |
| N40 | C41 | H22 | H23 | 120.3° | 120.3° |
| N40 | C41 | C42 | H24 | 176.5° | 31.9° |
| N40 | C41 | C42 | H25 | 63.7° | 151.9° |
| N40 | C38 | C37 | O39 | 175.7° | 180.0° |
| N40 | C38 | C37 | C36 | 130.1° | 174.7° |
| N40 | C38 | C37 | H19 | 109.4° | 54.8° |
| N40 | C38 | C37 | H20 | 9.7° | 65.3° |
| C38 | N40 | C41 | H22 | 25.2° | 156.9° |
| C38 | N40 | C41 | H23 | 95.0° | 36.6° |
| C35 | C34 | C36 | H14 | 118.9° | 120.5° |
| C35 | C34 | C36 | C37 | 171.2° | 158.2° |
| C35 | C34 | C36 | H12 | 68.7° | 38.2° |
| C35 | C34 | C36 | H13 | 51.1° | 81.8° |
| C34 | C35 | H15 | H16 | 120.0° | 120.0° |
| C34 | C35 | H15 | H17 | 120.0° | 120.0° |
| C34 | C35 | H16 | H17 | 120.0° | 120.0° |
| C35 | C34 | N33 | H18 | 65.2° | 65.5° |
| C34 | C36 | C37 | C38 | 95.9° | 80.3° |
| C34 | C36 | C37 | H12 | 120.1° | 120.0° |
| C34 | C36 | C37 | H13 | 120.1° | 120.0° |
| C34 | C36 | H12 | H13 | 119.7° | 120.0° |
| C36 | C34 | C35 | H15 | 58.7° | 60.0° |
| C36 | C34 | C35 | H16 | 178.7° | 180.0° |
| C36 | C34 | C35 | H17 | 61.2° | 60.1° |
| C36 | C34 | N33 | H18 | 52.5° | 54.2° |
| C34 | C36 | C37 | H19 | 143.7° | 39.6° |
| C34 | C36 | C37 | H20 | 24.5° | 159.7° |
| C38 | C37 | C36 | H19 | 120.5° | 120.0° |
| C38 | C37 | C36 | H20 | 120.4° | 120.0° |
| C38 | C37 | C36 | H12 | 144.0° | 159.6° |
| C38 | C37 | C36 | H13 | 24.2° | 39.7° |
| C38 | C37 | H19 | H20 | 118.7° | 120.0° |
| C37 | C38 | N40 | H21 | 0.7° | 0.0° |
| C36 | C37 | C38 | O39 | 54.2° | 5.3° |
| C37 | C36 | H12 | H13 | 119.7° | 120.0° |
| C37 | C36 | C34 | H14 | 69.8° | 37.6° |
| C36 | C37 | H19 | H20 | 118.7° | 120.0° |
| O39 | C38 | C37 | H19 | 66.3° | 125.2° |
| O39 | C38 | C37 | H20 | 174.6° | 114.7° |
| O39 | C38 | N40 | H21 | 175.0° | 180.0° |
| H1 | C10 | C11 | H40 | 0.5° | 0.0° |
| H2 | C13 | C24 | H10 | 0.8° | 0.0° |
| H3 | C17 | C18 | H44 | 0.8° | 0.0° |
| H4 | C20 | C21 | H6 | 60.0° | 60.0° |
| H4 | C20 | C21 | H7 | 179.9° | 180.0° |
| H4 | C20 | C21 | H8 | 60.0° | 60.0° |
| H5 | C20 | C21 | H6 | 60.1° | 180.0° |
| H5 | C20 | C21 | H7 | 60.0° | 60.0° |
| H5 | C20 | C21 | H8 | 180.0° | 60.0° |
| H6 | C21 | H7 | H8 | 120.0° | 119.9° |
| H9 | C22 | C23 | H43 | 0.6° | 0.3° |
| H11 | C26 | C46 | H32 | 175.7° | 173.8° |
| H11 | C26 | N25 | H37 | 90.9° | 145.0° |
| H12 | C36 | C34 | H14 | 50.3° | 82.4° |
| H12 | C36 | C37 | H19 | 23.5° | 80.4° |
| H12 | C36 | C37 | H20 | 95.6° | 39.6° |
| H13 | C36 | C34 | H14 | 170.1° | 157.7° |
| H13 | C36 | C37 | H19 | 96.2° | 159.7° |
| H13 | C36 | C37 | H20 | 144.6° | 80.3° |
| H14 | C34 | C35 | H15 | 60.3° | 60.5° |
| H14 | C34 | C35 | H16 | 59.8° | 59.5° |
| H14 | C34 | C35 | H17 | 179.8° | 179.4° |
| H14 | C34 | N33 | H18 | 175.5° | 173.9° |
| H15 | C35 | H16 | H17 | 120.0° | 120.1° |
| H21 | N40 | C41 | H22 | 154.8° | 23.1° |
| H21 | N40 | C41 | H23 | 85.0° | 143.5° |
| H22 | C41 | C42 | H24 | 56.6° | 87.8° |
| H22 | C41 | C42 | H25 | 176.5° | 32.1° |
| H23 | C41 | C42 | H24 | 63.6° | 151.7° |
| H23 | C41 | C42 | H25 | 56.3° | 88.3° |
| H24 | C42 | C43 | H26 | 99.4° | 93.2° |
| H25 | C42 | C43 | H26 | 140.8° | 146.7° |
| H26 | C43 | O44 | H27 | 58.4° | 60.0° |
| H26 | C43 | C45 | H28 | 157.2° | 100.1° |
| H26 | C43 | C45 | H29 | 83.0° | 139.9° |
| H28 | C45 | C30 | H30 | 102.5° | 162.6° |
| H29 | C45 | C30 | H30 | 137.8° | 77.4° |
| H30 | C30 | N29 | H31 | 169.4° | 145.0° |
| H32 | C46 | C48 | H33 | 57.0° | 173.1° |
| H32 | C46 | C48 | H34 | 177.1° | 66.9° |
| H32 | C46 | C48 | H35 | 63.0° | 53.1° |
| H32 | C46 | O47 | H36 | 58.5° | 60.0° |
| H33 | C48 | H34 | H35 | 120.0° | 120.0° |
| H41 | N14 | N15 | H42 | 175.8° | 180.0° |
