VJV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C22 | doub | 1.21Å | 1.23Å | |
| O | C2 | sing | 1.43Å | 1.41Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.49Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C22 | N3 | sing | 1.35Å | 1.34Å | |
| N2 | C9 | sing | 1.35Å | 1.32Å | Aromatic |
| N2 | C21 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N3 | sing | 1.47Å | 1.45Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| O1 | C2 | sing | 1.43Å | 1.41Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C25 | C30 | sing | 1.53Å | 1.53Å | |
| C9 | N | doub | 1.30Å | 1.36Å | Aromatic |
| C21 | C10 | doub | 1.36Å | 1.37Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C27 | N4 | sing | 1.47Å | 1.50Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| N | C10 | sing | 1.35Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.47Å | |
| N4 | C29 | sing | 1.47Å | 1.50Å | |
| N4 | C28 | sing | 1.47Å | 1.49Å | |
| C12 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.36Å | 1.36Å | Aromatic |
| C11 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.41Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C19 | sing | 1.42Å | 1.41Å | Aromatic |
| C14 | N1 | sing | 1.34Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.41Å | 1.41Å | Aromatic |
| N1 | C15 | doub | 1.31Å | 1.33Å | Aromatic |
| C18 | C17 | doub | 1.37Å | 1.36Å | Aromatic |
| C15 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C23 | H1 | sing | 1.09Å | 1.10Å | |
| C30 | H2 | sing | 1.09Å | 1.10Å | |
| C30 | H3 | sing | 1.09Å | 1.10Å | |
| C29 | H4 | sing | 1.09Å | 1.10Å | |
| C29 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C5 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| O1 | H28 | sing | 0.97Å | 0.95Å | |
| O | H29 | sing | 0.97Å | 0.95Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C | H33 | sing | 1.09Å | 1.10Å | |
| C | H34 | sing | 1.09Å | 1.10Å | |
| N2 | H35 | sing | 0.97Å | 1.00Å | |
| C21 | H36 | sing | 1.08Å | 1.08Å | |
| C20 | H38 | sing | 1.08Å | 1.08Å | |
| C13 | H39 | sing | 1.08Å | 1.08Å | |
| C12 | H40 | sing | 1.08Å | 1.08Å | |
| C18 | H41 | sing | 1.08Å | 1.08Å | |
| C17 | H42 | sing | 1.08Å | 1.08Å | |
| C16 | H43 | sing | 1.09Å | 1.10Å | |
| C16 | H44 | sing | 1.09Å | 1.10Å | |
| C16 | H45 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C22 | C23 | 122.0° | 120.0° |
| O2 | C22 | N3 | 122.6° | 120.0° |
| O | C2 | O1 | 109.7° | 109.5° |
| O | C2 | C3 | 109.8° | 109.5° |
| O | C2 | C1 | 105.3° | 109.5° |
| C2 | O | H29 | 109.5° | 114.0° |
| C23 | C24 | C25 | 60.3° | 59.9° |
| C24 | C23 | C22 | 120.9° | 117.5° |
| C24 | C23 | C25 | 58.6° | 60.0° |
| C24 | C23 | H1 | 115.6° | 117.5° |
| C23 | C24 | H14 | 120.0° | 117.6° |
| C23 | C24 | H15 | 120.0° | 117.5° |
| C24 | C25 | C23 | 61.2° | 60.1° |
| C24 | C25 | C26 | 120.3° | 117.8° |
| C24 | C25 | C30 | 119.4° | 117.8° |
| C25 | C24 | H14 | 120.0° | 117.5° |
| C25 | C24 | H15 | 119.9° | 117.5° |
| C23 | C22 | N3 | 115.3° | 120.0° |
| C22 | C23 | C25 | 118.1° | 117.5° |
| C22 | C23 | H1 | 115.8° | 115.5° |
| C22 | N3 | C8 | 122.0° | 120.0° |
| C22 | N3 | H16 | 119.0° | 120.0° |
| C9 | N2 | C21 | 104.8° | 107.4° |
| N2 | C9 | C8 | 122.7° | 125.5° |
| N2 | C9 | N | 111.7° | 109.0° |
| C9 | N2 | H35 | 127.6° | 126.3° |
| N2 | C21 | C10 | 110.9° | 106.7° |
| C21 | N2 | H35 | 127.6° | 126.3° |
| N2 | C21 | H36 | 124.6° | 126.7° |
| N3 | C8 | C9 | 109.0° | 109.5° |
| N3 | C8 | C7 | 110.1° | 109.5° |
| C8 | N3 | H16 | 119.0° | 120.0° |
| N3 | C8 | H17 | 110.1° | 109.4° |
| C9 | C8 | C7 | 109.2° | 109.5° |
| C8 | C9 | N | 125.6° | 125.5° |
| C9 | C8 | H17 | 109.4° | 109.5° |
| C8 | C7 | C6 | 115.2° | 109.5° |
| C7 | C8 | H17 | 109.0° | 109.4° |
| C8 | C7 | H18 | 108.0° | 109.4° |
| C8 | C7 | H19 | 108.0° | 109.5° |
| C23 | C25 | C26 | 121.1° | 117.8° |
| C23 | C25 | C30 | 117.9° | 117.8° |
| C25 | C23 | H1 | 115.8° | 117.5° |
| O1 | C2 | C3 | 110.9° | 109.5° |
| O1 | C2 | C1 | 107.0° | 109.4° |
| C2 | O1 | H28 | 109.5° | 114.1° |
| C7 | C6 | C5 | 112.7° | 109.5° |
| C6 | C7 | H18 | 108.0° | 109.5° |
| C6 | C7 | H19 | 108.0° | 109.5° |
| C7 | C6 | H20 | 108.7° | 109.5° |
| C7 | C6 | H21 | 108.7° | 109.5° |
| C6 | C5 | C4 | 115.8° | 109.5° |
| C5 | C6 | H20 | 108.7° | 109.5° |
| C5 | C6 | H21 | 108.6° | 109.4° |
| C6 | C5 | H22 | 107.8° | 109.5° |
| C6 | C5 | H23 | 107.9° | 109.4° |
| C5 | C4 | C3 | 110.7° | 109.5° |
| C4 | C5 | H22 | 107.9° | 109.5° |
| C4 | C5 | H23 | 107.8° | 109.5° |
| C5 | C4 | H24 | 109.2° | 109.5° |
| C5 | C4 | H25 | 109.2° | 109.5° |
| C4 | C3 | C2 | 115.4° | 109.5° |
| C3 | C4 | H24 | 109.2° | 109.5° |
| C3 | C4 | H25 | 109.1° | 109.4° |
| C4 | C3 | H26 | 108.0° | 109.5° |
| C4 | C3 | H27 | 107.9° | 109.4° |
| C25 | C26 | C27 | 111.9° | 108.6° |
| C26 | C25 | C30 | 109.8° | 114.7° |
| C25 | C26 | H12 | 108.9° | 109.6° |
| C25 | C26 | H13 | 108.9° | 109.6° |
| C26 | C27 | N4 | 111.6° | 109.4° |
| C26 | C27 | H10 | 108.9° | 109.5° |
| C26 | C27 | H11 | 109.0° | 109.5° |
| C27 | C26 | H12 | 108.8° | 109.6° |
| C27 | C26 | H13 | 108.9° | 109.6° |
| C3 | C2 | C1 | 113.9° | 109.4° |
| C2 | C3 | H26 | 108.0° | 109.5° |
| C2 | C3 | H27 | 108.0° | 109.5° |
| C2 | C1 | C | 114.5° | 109.4° |
| C2 | C1 | H30 | 108.2° | 109.5° |
| C2 | C1 | H31 | 108.2° | 109.5° |
| C25 | C30 | C29 | 111.8° | 108.6° |
| C25 | C30 | H2 | 108.9° | 109.6° |
| C25 | C30 | H3 | 108.9° | 109.7° |
| C9 | N | C10 | 107.7° | 109.2° |
| C21 | C10 | N | 104.9° | 107.7° |
| C21 | C10 | C11 | 131.3° | 126.2° |
| C10 | C21 | H36 | 124.5° | 126.6° |
| C | C1 | H30 | 108.2° | 109.4° |
| C | C1 | H31 | 108.2° | 109.5° |
| C1 | C | H32 | 109.5° | 109.5° |
| C1 | C | H33 | 109.5° | 109.5° |
| C1 | C | H34 | 109.5° | 109.5° |
| C27 | N4 | C29 | 110.7° | 111.6° |
| C27 | N4 | C28 | 111.4° | 111.0° |
| N4 | C27 | H10 | 108.9° | 109.5° |
| N4 | C27 | H11 | 108.9° | 109.5° |
| C30 | C29 | N4 | 111.6° | 109.4° |
| C29 | C30 | H2 | 108.9° | 109.6° |
| C29 | C30 | H3 | 108.9° | 109.6° |
| C30 | C29 | H4 | 108.9° | 109.5° |
| C30 | C29 | H5 | 108.9° | 109.5° |
| N | C10 | C11 | 123.8° | 126.1° |
| C10 | C11 | C12 | 120.6° | 119.7° |
| C10 | C11 | C20 | 119.9° | 119.8° |
| C29 | N4 | C28 | 111.2° | 111.0° |
| N4 | C29 | H4 | 109.0° | 109.5° |
| N4 | C29 | H5 | 108.9° | 109.5° |
| N4 | C28 | H7 | 109.5° | 109.5° |
| N4 | C28 | H8 | 109.4° | 109.4° |
| N4 | C28 | H9 | 109.4° | 109.5° |
| C11 | C12 | C13 | 120.8° | 120.9° |
| C12 | C11 | C20 | 119.5° | 120.4° |
| C11 | C12 | H40 | 119.6° | 119.6° |
| C12 | C13 | C14 | 120.9° | 120.1° |
| C12 | C13 | H39 | 119.6° | 119.9° |
| C13 | C12 | H40 | 119.6° | 119.5° |
| C11 | C20 | C19 | 121.3° | 119.5° |
| C11 | C20 | H38 | 119.3° | 120.3° |
| C13 | C14 | C19 | 118.9° | 119.3° |
| C13 | C14 | N1 | 119.2° | 120.9° |
| C14 | C13 | H39 | 119.6° | 119.9° |
| C20 | C19 | C14 | 118.6° | 119.8° |
| C20 | C19 | C18 | 123.8° | 121.2° |
| C19 | C20 | H38 | 119.4° | 120.2° |
| C19 | C14 | N1 | 121.8° | 119.8° |
| C14 | C19 | C18 | 117.6° | 119.0° |
| C14 | N1 | C15 | 118.9° | 121.4° |
| C19 | C18 | C17 | 119.8° | 118.1° |
| C19 | C18 | H41 | 120.1° | 120.9° |
| N1 | C15 | C17 | 122.1° | 121.7° |
| N1 | C15 | C16 | 116.9° | 119.1° |
| C18 | C17 | C15 | 119.7° | 119.9° |
| C17 | C18 | H41 | 120.1° | 120.9° |
| C18 | C17 | H42 | 120.1° | 120.1° |
| C17 | C15 | C16 | 121.0° | 119.1° |
| C15 | C17 | H42 | 120.1° | 120.0° |
| C15 | C16 | H43 | 109.5° | 109.5° |
| C15 | C16 | H44 | 109.5° | 109.5° |
| C15 | C16 | H45 | 109.4° | 109.5° |
| H2 | C30 | H3 | 109.5° | 109.7° |
| H4 | C29 | H5 | 109.4° | 109.4° |
| H7 | C28 | H8 | 109.5° | 109.5° |
| H7 | C28 | H9 | 109.5° | 109.5° |
| H8 | C28 | H9 | 109.5° | 109.5° |
| H10 | C27 | H11 | 109.5° | 109.5° |
| H12 | C26 | H13 | 109.5° | 109.7° |
| H14 | C24 | H15 | 109.5° | 115.6° |
| H18 | C7 | H19 | 109.5° | 109.5° |
| H20 | C6 | H21 | 109.5° | 109.5° |
| H22 | C5 | H23 | 109.5° | 109.4° |
| H24 | C4 | H25 | 109.5° | 109.4° |
| H26 | C3 | H27 | 109.5° | 109.5° |
| H30 | C1 | H31 | 109.5° | 109.5° |
| H32 | C | H33 | 109.5° | 109.4° |
| H32 | C | H34 | 109.5° | 109.5° |
| H33 | C | H34 | 109.4° | 109.5° |
| H43 | C16 | H44 | 109.5° | 109.5° |
| H43 | C16 | H45 | 109.5° | 109.4° |
| H44 | C16 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C22 | C23 | C24 | 1.9° | 21.8° |
| O2 | C22 | C23 | N3 | 179.9° | 179.7° |
| O2 | C22 | N3 | C8 | 1.9° | 0.0° |
| O2 | C22 | C23 | C25 | 66.4° | 90.4° |
| O2 | C22 | C23 | H1 | 149.9° | 124.0° |
| O2 | C22 | N3 | H16 | 178.1° | 180.0° |
| O | C2 | O1 | C3 | 121.5° | 120.0° |
| O | C2 | O1 | C1 | 113.7° | 120.0° |
| O | C2 | C3 | C4 | 65.5° | 60.0° |
| O | C2 | C3 | C1 | 117.8° | 120.0° |
| O | C2 | C1 | C | 174.8° | 60.0° |
| O | C2 | C3 | H26 | 55.4° | 60.0° |
| O | C2 | C3 | H27 | 173.6° | 180.0° |
| O | C2 | O1 | H28 | 180.0° | 180.0° |
| O | C2 | C1 | H30 | 64.5° | 59.9° |
| O | C2 | C1 | H31 | 54.0° | 180.0° |
| C23 | C24 | C25 | H14 | 109.5° | 107.5° |
| C23 | C24 | C25 | H15 | 109.6° | 107.5° |
| C24 | C23 | C22 | C25 | 68.3° | 68.6° |
| C24 | C23 | C22 | H1 | 148.0° | 145.8° |
| C24 | C23 | C22 | N3 | 178.0° | 157.9° |
| C24 | C23 | C25 | H1 | 105.4° | 107.5° |
| C24 | C23 | C25 | C26 | 109.9° | 107.8° |
| C23 | C24 | C25 | C30 | 107.7° | 107.8° |
| C23 | C24 | H14 | H15 | 144.6° | 145.8° |
| C24 | C25 | C26 | C30 | 144.5° | 145.5° |
| C24 | C25 | C26 | C27 | 162.2° | 163.0° |
| C24 | C25 | C30 | C29 | 161.4° | 163.1° |
| C24 | C25 | C30 | H2 | 41.0° | 43.3° |
| C24 | C25 | C30 | H3 | 78.3° | 77.2° |
| C24 | C25 | C26 | H12 | 77.5° | 77.2° |
| C24 | C25 | C26 | H13 | 41.8° | 43.3° |
| C25 | C24 | H14 | H15 | 144.6° | 145.6° |
| C23 | C22 | N3 | C8 | 178.2° | 179.7° |
| C22 | C23 | C25 | H1 | 143.6° | 145.0° |
| C22 | C23 | C25 | C26 | 1.0° | 0.3° |
| C22 | C23 | C25 | C30 | 139.0° | 144.7° |
| C22 | C23 | C24 | H14 | 144.4° | 145.1° |
| C22 | C23 | C24 | H15 | 3.5° | 0.1° |
| C23 | C22 | N3 | H16 | 1.8° | 0.3° |
| C22 | N3 | C8 | H16 | 180.0° | 180.0° |
| C22 | N3 | C8 | C9 | 87.2° | 155.0° |
| C22 | N3 | C8 | C7 | 153.1° | 84.9° |
| N3 | C22 | C23 | C25 | 113.7° | 89.3° |
| N3 | C22 | C23 | H1 | 30.0° | 56.3° |
| C22 | N3 | C8 | H17 | 32.9° | 35.0° |
| C9 | N2 | C21 | H35 | 180.0° | 179.9° |
| N2 | C9 | C8 | N3 | 135.9° | 5.2° |
| N2 | C9 | C8 | N | 177.3° | 179.8° |
| N2 | C9 | C8 | C7 | 103.7° | 125.3° |
| C9 | N2 | C21 | C10 | 0.2° | 0.0° |
| N2 | C9 | N | C10 | 0.3° | 0.4° |
| N2 | C9 | C8 | H17 | 15.5° | 114.7° |
| C9 | N2 | C21 | H36 | 179.8° | 180.0° |
| C21 | N2 | C9 | C8 | 177.4° | 179.9° |
| C21 | N2 | C9 | N | 0.3° | 0.3° |
| N2 | C21 | C10 | H36 | 180.0° | 179.9° |
| N2 | C21 | C10 | N | 0.1° | 0.2° |
| N2 | C21 | C10 | C11 | 177.3° | 180.0° |
| N3 | C8 | C9 | C7 | 120.3° | 120.0° |
| N3 | C8 | C9 | H17 | 120.4° | 119.9° |
| N3 | C8 | C7 | H17 | 120.8° | 119.9° |
| N3 | C8 | C7 | C6 | 174.0° | 65.0° |
| N3 | C8 | C9 | N | 46.7° | 175.0° |
| N3 | C8 | C7 | H18 | 53.2° | 55.1° |
| N3 | C8 | C7 | H19 | 65.2° | 175.0° |
| C9 | C8 | C7 | H17 | 119.5° | 120.0° |
| C9 | C8 | C7 | C6 | 66.4° | 175.0° |
| C8 | C9 | N | C10 | 177.3° | 179.8° |
| C9 | C8 | N3 | H16 | 92.8° | 25.0° |
| C9 | C8 | C7 | H18 | 172.8° | 65.0° |
| C9 | C8 | C7 | H19 | 54.4° | 55.0° |
| C8 | C9 | N2 | H35 | 2.7° | 0.0° |
| C8 | C7 | C6 | H18 | 120.8° | 120.0° |
| C8 | C7 | C6 | H19 | 120.8° | 120.0° |
| C8 | C7 | C6 | C5 | 179.2° | 180.0° |
| C7 | C8 | C9 | N | 73.6° | 55.0° |
| C7 | C8 | N3 | H16 | 26.9° | 95.0° |
| C8 | C7 | H18 | H19 | 117.4° | 119.9° |
| C8 | C7 | C6 | H20 | 60.3° | 60.0° |
| C8 | C7 | C6 | H21 | 58.7° | 60.0° |
| C23 | C25 | C26 | C30 | 143.0° | 145.5° |
| C23 | C25 | C26 | C27 | 89.7° | 94.1° |
| C23 | C25 | C30 | C29 | 90.5° | 94.1° |
| C23 | C25 | C30 | H2 | 29.8° | 25.6° |
| C23 | C25 | C30 | H3 | 149.2° | 146.2° |
| C23 | C25 | C26 | H12 | 150.0° | 146.2° |
| C23 | C25 | C26 | H13 | 30.7° | 25.7° |
| O1 | C2 | C3 | C4 | 55.9° | 60.0° |
| O1 | C2 | C3 | C1 | 120.8° | 120.0° |
| O1 | C2 | C1 | C | 68.5° | 60.0° |
| O1 | C2 | C3 | H26 | 176.8° | 180.0° |
| O1 | C2 | C3 | H27 | 64.9° | 60.0° |
| O1 | C2 | O | H29 | 180.0° | 180.0° |
| O1 | C2 | C1 | H30 | 52.2° | 180.0° |
| O1 | C2 | C1 | H31 | 170.7° | 60.0° |
| C7 | C6 | C5 | H20 | 120.5° | 120.0° |
| C7 | C6 | C5 | H21 | 120.5° | 120.0° |
| C7 | C6 | C5 | C4 | 172.3° | 180.0° |
| C6 | C7 | C8 | H17 | 53.1° | 55.0° |
| C6 | C7 | H18 | H19 | 117.4° | 120.0° |
| C7 | C6 | H20 | H21 | 118.5° | 120.0° |
| C7 | C6 | C5 | H22 | 51.3° | 60.0° |
| C7 | C6 | C5 | H23 | 66.8° | 60.0° |
| C6 | C5 | C4 | H22 | 120.9° | 120.1° |
| C6 | C5 | C4 | H23 | 120.9° | 120.0° |
| C6 | C5 | C4 | C3 | 178.2° | 180.0° |
| C5 | C6 | C7 | H18 | 58.4° | 60.0° |
| C5 | C6 | C7 | H19 | 60.0° | 60.0° |
| C5 | C6 | H20 | H21 | 118.5° | 119.9° |
| C6 | C5 | H22 | H23 | 117.1° | 120.0° |
| C6 | C5 | C4 | H24 | 58.1° | 59.9° |
| C6 | C5 | C4 | H25 | 61.6° | 60.0° |
| C5 | C4 | C3 | H24 | 120.2° | 120.1° |
| C5 | C4 | C3 | H25 | 120.2° | 120.0° |
| C5 | C4 | C3 | C2 | 162.9° | 180.0° |
| C4 | C5 | C6 | H20 | 67.2° | 60.0° |
| C4 | C5 | C6 | H21 | 51.8° | 60.0° |
| C4 | C5 | H22 | H23 | 117.1° | 120.0° |
| C5 | C4 | H24 | H25 | 119.5° | 120.0° |
| C5 | C4 | C3 | H26 | 42.0° | 60.0° |
| C5 | C4 | C3 | H27 | 76.2° | 60.0° |
| C4 | C3 | C2 | H26 | 120.9° | 120.0° |
| C4 | C3 | C2 | H27 | 120.9° | 120.0° |
| C4 | C3 | C2 | C1 | 176.7° | 180.0° |
| C3 | C4 | C5 | H22 | 60.8° | 59.9° |
| C3 | C4 | C5 | H23 | 57.3° | 60.0° |
| C3 | C4 | H24 | H25 | 119.4° | 120.0° |
| C4 | C3 | H26 | H27 | 117.3° | 119.9° |
| C25 | C26 | C27 | H12 | 120.4° | 119.7° |
| C25 | C26 | C27 | H13 | 120.4° | 119.7° |
| C25 | C26 | C27 | N4 | 55.3° | 55.6° |
| C26 | C25 | C30 | C29 | 53.8° | 51.4° |
| C26 | C25 | C23 | H1 | 144.7° | 144.7° |
| C26 | C25 | C30 | H2 | 174.1° | 171.1° |
| C26 | C25 | C30 | H3 | 66.6° | 68.3° |
| C25 | C26 | C27 | H10 | 175.7° | 64.4° |
| C25 | C26 | C27 | H11 | 65.0° | 175.6° |
| C25 | C26 | H12 | H13 | 118.9° | 120.4° |
| C26 | C25 | C24 | H14 | 139.3° | 144.7° |
| C26 | C25 | C24 | H15 | 1.6° | 0.3° |
| C27 | C26 | C25 | C30 | 53.3° | 51.4° |
| C26 | C27 | N4 | H10 | 120.3° | 120.0° |
| C26 | C27 | N4 | H11 | 120.4° | 120.0° |
| C26 | C27 | N4 | C29 | 56.3° | 64.9° |
| C26 | C27 | N4 | C28 | 179.3° | 170.8° |
| C26 | C27 | H10 | H11 | 119.0° | 120.0° |
| C27 | C26 | H12 | H13 | 118.9° | 120.5° |
| C3 | C2 | C1 | C | 54.4° | 180.0° |
| C2 | C3 | C4 | H24 | 76.9° | 60.0° |
| C2 | C3 | C4 | H25 | 42.7° | 60.0° |
| C2 | C3 | H26 | H27 | 117.3° | 120.0° |
| C3 | C2 | O1 | H28 | 58.5° | 59.9° |
| C3 | C2 | O | H29 | 57.9° | 60.0° |
| C3 | C2 | C1 | H30 | 175.2° | 60.1° |
| C3 | C2 | C1 | H31 | 66.3° | 60.0° |
| C2 | C1 | C | H30 | 120.8° | 119.9° |
| C2 | C1 | C | H31 | 120.7° | 120.0° |
| C1 | C2 | C3 | H26 | 62.4° | 60.0° |
| C1 | C2 | C3 | H27 | 55.9° | 60.0° |
| C1 | C2 | O1 | H28 | 66.3° | 60.0° |
| C1 | C2 | O | H29 | 65.2° | 60.0° |
| C2 | C1 | H30 | H31 | 117.7° | 120.1° |
| C2 | C1 | C | H32 | 180.0° | 60.0° |
| C2 | C1 | C | H33 | 60.0° | 60.0° |
| C2 | C1 | C | H34 | 60.0° | 180.0° |
| C25 | C30 | C29 | H2 | 120.4° | 119.8° |
| C25 | C30 | C29 | H3 | 120.3° | 119.8° |
| C25 | C30 | C29 | N4 | 56.4° | 55.6° |
| C30 | C25 | C23 | H1 | 4.6° | 0.3° |
| C25 | C30 | H2 | H3 | 119.0° | 120.5° |
| C25 | C30 | C29 | H4 | 64.0° | 64.4° |
| C25 | C30 | C29 | H5 | 176.7° | 175.6° |
| C30 | C25 | C26 | H12 | 67.1° | 68.3° |
| C30 | C25 | C26 | H13 | 173.7° | 171.2° |
| C30 | C25 | C24 | H14 | 1.9° | 0.3° |
| C30 | C25 | C24 | H15 | 142.8° | 144.7° |
| C9 | N | C10 | C21 | 0.1° | 0.4° |
| C9 | N | C10 | C11 | 177.8° | 179.9° |
| N | C9 | C8 | H17 | 167.2° | 65.0° |
| N | C9 | N2 | H35 | 179.6° | 179.8° |
| C21 | C10 | N | C11 | 177.6° | 179.8° |
| C21 | C10 | C11 | C12 | 12.6° | 0.3° |
| C21 | C10 | C11 | C20 | 168.1° | 180.0° |
| C10 | C21 | N2 | H35 | 179.7° | 180.0° |
| C | C1 | H30 | H31 | 117.7° | 120.0° |
| C1 | C | H32 | H33 | 120.0° | 120.0° |
| C1 | C | H32 | H34 | 120.0° | 120.0° |
| C1 | C | H33 | H34 | 120.0° | 120.0° |
| C27 | N4 | C29 | C30 | 56.9° | 64.8° |
| C27 | N4 | C29 | C28 | 124.5° | 124.4° |
| C27 | N4 | C29 | H4 | 63.5° | 55.2° |
| C27 | N4 | C29 | H5 | 177.2° | 175.1° |
| C27 | N4 | C28 | H7 | 180.0° | 175.3° |
| C27 | N4 | C28 | H8 | 60.0° | 55.3° |
| C27 | N4 | C28 | H9 | 60.0° | 64.6° |
| N4 | C27 | H10 | H11 | 119.0° | 120.0° |
| N4 | C27 | C26 | H12 | 65.0° | 64.1° |
| N4 | C27 | C26 | H13 | 175.7° | 175.3° |
| C30 | C29 | N4 | H4 | 120.3° | 120.0° |
| C30 | C29 | N4 | H5 | 120.3° | 120.1° |
| C30 | C29 | N4 | C28 | 178.6° | 170.8° |
| C29 | C30 | H2 | H3 | 118.9° | 120.4° |
| C30 | C29 | H4 | H5 | 119.0° | 120.0° |
| N | C10 | C11 | C12 | 164.4° | 180.0° |
| N | C10 | C11 | C20 | 14.9° | 0.3° |
| N | C10 | C21 | H36 | 179.9° | 179.7° |
| C10 | C11 | C12 | C20 | 179.3° | 179.7° |
| C10 | C11 | C12 | C13 | 179.1° | 179.7° |
| C10 | C11 | C20 | C19 | 179.5° | 180.0° |
| C11 | C10 | C21 | H36 | 2.7° | 0.0° |
| C10 | C11 | C20 | H38 | 0.5° | 0.1° |
| C10 | C11 | C12 | H40 | 0.9° | 0.0° |
| N4 | C29 | C30 | H2 | 176.7° | 175.3° |
| N4 | C29 | C30 | H3 | 64.0° | 64.2° |
| N4 | C29 | H4 | H5 | 119.0° | 120.0° |
| C29 | N4 | C28 | H7 | 55.9° | 60.0° |
| C29 | N4 | C28 | H8 | 175.9° | 180.0° |
| C29 | N4 | C28 | H9 | 64.1° | 60.1° |
| C29 | N4 | C27 | H10 | 176.6° | 55.2° |
| C29 | N4 | C27 | H11 | 64.0° | 175.2° |
| C28 | N4 | C29 | H4 | 61.0° | 69.2° |
| C28 | N4 | C29 | H5 | 58.3° | 50.8° |
| N4 | C28 | H7 | H8 | 120.0° | 120.0° |
| N4 | C28 | H7 | H9 | 120.0° | 120.0° |
| N4 | C28 | H8 | H9 | 120.0° | 119.9° |
| C28 | N4 | C27 | H10 | 59.0° | 69.2° |
| C28 | N4 | C27 | H11 | 60.3° | 50.8° |
| C11 | C12 | C13 | H40 | 180.0° | 179.7° |
| C11 | C12 | C13 | C14 | 0.3° | 0.6° |
| C12 | C11 | C20 | C19 | 0.2° | 0.3° |
| C12 | C11 | C20 | H38 | 179.8° | 179.8° |
| C11 | C12 | C13 | H39 | 179.7° | 179.7° |
| C13 | C12 | C11 | C20 | 0.2° | 0.6° |
| C12 | C13 | C14 | H39 | 180.0° | 179.7° |
| C12 | C13 | C14 | C19 | 0.0° | 0.3° |
| C12 | C13 | C14 | N1 | 178.9° | 179.7° |
| C11 | C20 | C19 | H38 | 180.0° | 179.9° |
| C11 | C20 | C19 | C14 | 0.5° | 0.1° |
| C11 | C20 | C19 | C18 | 178.6° | 180.0° |
| C20 | C11 | C12 | H40 | 179.8° | 179.7° |
| C13 | C14 | C19 | C20 | 0.4° | 0.1° |
| C13 | C14 | C19 | N1 | 178.8° | 180.0° |
| C13 | C14 | C19 | C18 | 178.8° | 180.0° |
| C13 | C14 | N1 | C15 | 179.0° | 180.0° |
| C14 | C13 | C12 | H40 | 179.7° | 179.7° |
| C20 | C19 | C14 | C18 | 179.2° | 179.9° |
| C20 | C19 | C14 | N1 | 179.3° | 179.9° |
| C20 | C19 | C18 | C17 | 179.2° | 179.9° |
| C20 | C19 | C18 | H41 | 0.7° | 0.1° |
| C19 | C14 | N1 | C15 | 0.2° | 0.0° |
| C14 | C19 | C18 | C17 | 0.1° | 0.0° |
| C14 | C19 | C20 | H38 | 179.5° | 180.0° |
| C19 | C14 | C13 | H39 | 180.0° | 180.0° |
| C14 | C19 | C18 | H41 | 179.9° | 180.0° |
| N1 | C14 | C19 | C18 | 0.1° | 0.1° |
| C14 | N1 | C15 | C17 | 0.4° | 0.0° |
| C14 | N1 | C15 | C16 | 178.1° | 180.0° |
| N1 | C14 | C13 | H39 | 1.1° | 0.0° |
| C19 | C18 | C17 | H41 | 180.0° | 180.0° |
| C19 | C18 | C17 | C15 | 0.1° | 0.0° |
| C18 | C19 | C20 | H38 | 1.4° | 0.1° |
| C19 | C18 | C17 | H42 | 179.9° | 179.9° |
| N1 | C15 | C17 | C18 | 0.4° | 0.0° |
| N1 | C15 | C17 | C16 | 178.4° | 180.0° |
| N1 | C15 | C17 | H42 | 179.6° | 179.9° |
| N1 | C15 | C16 | H43 | 0.0° | 90.1° |
| N1 | C15 | C16 | H44 | 120.0° | 30.0° |
| N1 | C15 | C16 | H45 | 120.0° | 150.0° |
| C18 | C17 | C15 | H42 | 180.0° | 180.0° |
| C18 | C17 | C15 | C16 | 178.0° | 180.0° |
| C15 | C17 | C18 | H41 | 179.9° | 180.0° |
| C17 | C15 | C16 | H43 | 178.5° | 90.0° |
| C17 | C15 | C16 | H44 | 61.5° | 150.0° |
| C17 | C15 | C16 | H45 | 58.5° | 30.0° |
| C16 | C15 | C17 | H42 | 2.0° | 0.0° |
| C15 | C16 | H43 | H44 | 120.0° | 120.0° |
| C15 | C16 | H43 | H45 | 120.0° | 120.0° |
| C15 | C16 | H44 | H45 | 119.9° | 120.0° |
| H1 | C23 | C24 | H14 | 3.7° | 0.0° |
| H1 | C23 | C24 | H15 | 144.6° | 145.2° |
| H2 | C30 | C29 | H4 | 56.4° | 55.4° |
| H2 | C30 | C29 | H5 | 62.9° | 64.6° |
| H3 | C30 | C29 | H4 | 175.7° | 175.8° |
| H3 | C30 | C29 | H5 | 56.4° | 55.9° |
| H7 | C28 | H8 | H9 | 120.0° | 120.1° |
| H10 | C27 | C26 | H12 | 55.3° | 175.9° |
| H10 | C27 | C26 | H13 | 63.9° | 55.3° |
| H11 | C27 | C26 | H12 | 174.6° | 55.8° |
| H11 | C27 | C26 | H13 | 55.4° | 64.7° |
| H16 | N3 | C8 | H17 | 147.1° | 145.0° |
| H17 | C8 | C7 | H18 | 67.7° | 175.0° |
| H17 | C8 | C7 | H19 | 173.9° | 65.1° |
| H18 | C7 | C6 | H20 | 178.8° | 180.0° |
| H18 | C7 | C6 | H21 | 62.1° | 60.0° |
| H19 | C7 | C6 | H20 | 60.5° | 60.0° |
| H19 | C7 | C6 | H21 | 179.5° | 180.0° |
| H20 | C6 | C5 | H22 | 171.8° | 180.0° |
| H20 | C6 | C5 | H23 | 53.7° | 60.0° |
| H21 | C6 | C5 | H22 | 69.2° | 60.0° |
| H21 | C6 | C5 | H23 | 172.7° | 180.0° |
| H22 | C5 | C4 | H24 | 179.0° | 180.0° |
| H22 | C5 | C4 | H25 | 59.3° | 60.0° |
| H23 | C5 | C4 | H24 | 62.9° | 60.0° |
| H23 | C5 | C4 | H25 | 177.5° | 180.0° |
| H24 | C4 | C3 | H26 | 162.2° | 180.0° |
| H24 | C4 | C3 | H27 | 44.0° | 60.0° |
| H25 | C4 | C3 | H26 | 78.2° | 60.0° |
| H25 | C4 | C3 | H27 | 163.6° | 180.0° |
| H30 | C1 | C | H32 | 59.3° | 179.9° |
| H30 | C1 | C | H33 | 179.3° | 60.0° |
| H30 | C1 | C | H34 | 60.8° | 60.1° |
| H31 | C1 | C | H32 | 59.2° | 60.0° |
| H31 | C1 | C | H33 | 60.8° | 180.0° |
| H31 | C1 | C | H34 | 179.3° | 59.9° |
| H32 | C | H33 | H34 | 120.0° | 120.0° |
| H35 | N2 | C21 | H36 | 0.3° | 0.1° |
| H39 | C13 | C12 | H40 | 0.3° | 0.0° |
| H41 | C18 | C17 | H42 | 0.1° | 0.0° |
| H43 | C16 | H44 | H45 | 120.0° | 120.0° |
