NUL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C5 | sing | 1.43Å | 1.43Å | |
| O3 | C2 | sing | 1.43Å | 1.40Å | |
| C23 | O21 | sing | 1.43Å | 1.40Å | |
| O21 | C16 | sing | 1.36Å | 1.40Å | |
| C2 | C4 | sing | 1.53Å | 1.57Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C25 | C6 | sing | 1.53Å | 1.53Å | |
| C24 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | C9 | sing | 1.53Å | 1.57Å | |
| C6 | C7 | sing | 1.50Å | 1.53Å | |
| C16 | C1 | doub | 1.40Å | 1.38Å | Aromatic |
| C16 | N15 | sing | 1.32Å | 1.31Å | Aromatic |
| C1 | C12 | sing | 1.36Å | 1.40Å | Aromatic |
| N15 | C14 | doub | 1.34Å | 1.35Å | Aromatic |
| C12 | C13 | doub | 1.41Å | 1.44Å | Aromatic |
| C9 | O11 | sing | 1.43Å | 1.40Å | |
| C9 | C8 | sing | 1.50Å | 1.54Å | |
| C7 | C8 | doub | 1.29Å | 1.53Å | |
| C14 | C13 | sing | 1.42Å | 1.37Å | Aromatic |
| C14 | C20 | sing | 1.41Å | 1.43Å | Aromatic |
| C13 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C22 | C20 | sing | 1.51Å | 1.52Å | |
| C20 | C19 | doub | 1.36Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.36Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| O3 | H23 | sing | 0.97Å | 0.95Å | |
| O10 | H24 | sing | 0.97Å | 0.95Å | |
| O11 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C5 | C4 | 110.3° | 109.6° |
| O10 | C5 | C6 | 112.4° | 109.6° |
| O10 | C5 | H10 | 109.2° | 109.8° |
| C5 | O10 | H24 | 109.5° | 114.0° |
| O3 | C2 | C4 | 117.5° | 109.5° |
| O3 | C2 | C1 | 109.3° | 109.5° |
| O3 | C2 | H8 | 102.3° | 109.5° |
| C2 | O3 | H23 | 109.5° | 114.0° |
| C23 | O21 | C16 | 112.7° | 117.0° |
| O21 | C23 | H17 | 109.5° | 109.5° |
| O21 | C23 | H18 | 109.4° | 109.4° |
| O21 | C23 | H19 | 109.5° | 109.5° |
| O21 | C16 | C1 | 117.3° | 119.2° |
| O21 | C16 | N15 | 121.4° | 119.2° |
| C4 | C2 | C1 | 121.6° | 109.4° |
| C2 | C4 | C5 | 112.2° | 109.7° |
| C2 | C4 | C9 | 119.3° | 109.7° |
| C4 | C2 | H8 | 100.9° | 109.5° |
| C2 | C4 | H9 | 102.4° | 109.6° |
| C2 | C1 | C16 | 110.3° | 120.0° |
| C2 | C1 | C12 | 128.6° | 120.1° |
| C1 | C2 | H8 | 101.3° | 109.5° |
| C25 | C6 | C24 | 108.2° | 109.4° |
| C25 | C6 | C5 | 113.7° | 109.4° |
| C25 | C6 | C7 | 108.1° | 109.2° |
| C6 | C25 | H20 | 109.5° | 109.5° |
| C6 | C25 | H21 | 109.5° | 109.5° |
| C6 | C25 | H22 | 109.5° | 109.4° |
| C24 | C6 | C5 | 109.5° | 109.4° |
| C24 | C6 | C7 | 106.5° | 109.4° |
| C6 | C24 | H5 | 109.5° | 109.5° |
| C6 | C24 | H6 | 109.5° | 109.5° |
| C6 | C24 | H7 | 109.5° | 109.5° |
| C4 | C5 | C6 | 109.1° | 108.5° |
| C5 | C4 | C9 | 114.8° | 108.4° |
| C5 | C4 | H9 | 102.7° | 109.8° |
| C4 | C5 | H10 | 107.9° | 109.6° |
| C5 | C6 | C7 | 110.5° | 110.1° |
| C6 | C5 | H10 | 107.7° | 109.7° |
| C4 | C9 | O11 | 116.0° | 109.4° |
| C4 | C9 | C8 | 115.5° | 110.1° |
| C9 | C4 | H9 | 102.4° | 109.6° |
| C4 | C9 | H13 | 104.9° | 109.3° |
| C6 | C7 | C8 | 115.7° | 124.1° |
| C6 | C7 | H11 | 122.1° | 117.9° |
| C1 | C16 | N15 | 121.2° | 121.6° |
| C16 | C1 | C12 | 121.0° | 119.9° |
| C16 | N15 | C14 | 121.0° | 121.3° |
| C1 | C12 | C13 | 116.1° | 118.3° |
| C1 | C12 | H14 | 121.9° | 120.9° |
| N15 | C14 | C13 | 121.4° | 119.9° |
| N15 | C14 | C20 | 117.3° | 121.0° |
| C12 | C13 | C14 | 119.3° | 119.1° |
| C12 | C13 | C17 | 122.1° | 121.3° |
| C13 | C12 | H14 | 122.0° | 120.9° |
| O11 | C9 | C8 | 107.6° | 109.4° |
| O11 | C9 | H13 | 106.7° | 109.4° |
| C9 | O11 | H25 | 109.5° | 114.0° |
| C9 | C8 | C7 | 117.2° | 124.1° |
| C9 | C8 | H12 | 121.4° | 117.9° |
| C8 | C9 | H13 | 105.1° | 109.2° |
| C8 | C7 | H11 | 122.1° | 118.0° |
| C7 | C8 | H12 | 121.4° | 118.0° |
| C13 | C14 | C20 | 121.3° | 119.1° |
| C14 | C13 | C17 | 118.7° | 119.6° |
| C14 | C20 | C22 | 120.9° | 120.1° |
| C14 | C20 | C19 | 119.7° | 119.7° |
| C13 | C17 | C18 | 119.5° | 119.7° |
| C13 | C17 | H1 | 120.3° | 120.2° |
| C22 | C20 | C19 | 119.4° | 120.1° |
| C20 | C22 | H2 | 109.5° | 109.5° |
| C20 | C22 | H3 | 109.5° | 109.5° |
| C20 | C22 | H4 | 109.4° | 109.5° |
| C20 | C19 | C18 | 119.2° | 121.1° |
| C20 | C19 | H16 | 120.4° | 119.5° |
| C17 | C18 | C19 | 121.6° | 120.8° |
| C18 | C17 | H1 | 120.3° | 120.1° |
| C17 | C18 | H15 | 119.2° | 119.6° |
| C19 | C18 | H15 | 119.2° | 119.6° |
| C18 | C19 | H16 | 120.4° | 119.5° |
| H2 | C22 | H3 | 109.4° | 109.4° |
| H2 | C22 | H4 | 109.4° | 109.4° |
| H3 | C22 | H4 | 109.5° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.4° |
| H5 | C24 | H7 | 109.4° | 109.4° |
| H6 | C24 | H7 | 109.4° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H17 | C23 | H19 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.5° | 109.5° |
| H20 | C25 | H22 | 109.4° | 109.4° |
| H21 | C25 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C5 | C4 | C2 | 48.8° | 53.2° |
| O10 | C5 | C6 | C25 | 67.6° | 49.1° |
| O10 | C5 | C6 | C24 | 53.6° | 70.7° |
| O10 | C5 | C4 | C6 | 124.0° | 119.7° |
| O10 | C5 | C4 | H10 | 119.3° | 120.6° |
| O10 | C5 | C6 | H10 | 120.4° | 120.6° |
| O10 | C5 | C4 | C9 | 170.7° | 172.9° |
| O10 | C5 | C6 | C7 | 170.6° | 169.1° |
| O10 | C5 | C4 | H9 | 60.4° | 67.4° |
| O3 | C2 | C4 | C1 | 139.2° | 120.0° |
| O3 | C2 | C4 | H8 | 110.2° | 120.0° |
| O3 | C2 | C1 | H8 | 107.4° | 120.0° |
| O3 | C2 | C4 | C5 | 11.2° | 53.9° |
| O3 | C2 | C4 | C9 | 149.7° | 65.1° |
| O3 | C2 | C1 | C16 | 119.0° | 155.1° |
| O3 | C2 | C1 | C12 | 58.1° | 25.0° |
| O3 | C2 | C4 | H9 | 98.2° | 174.5° |
| C23 | O21 | C16 | C1 | 173.6° | 180.0° |
| C23 | O21 | C16 | N15 | 7.0° | 0.2° |
| O21 | C23 | H17 | H18 | 120.0° | 119.9° |
| O21 | C23 | H17 | H19 | 120.0° | 120.0° |
| O21 | C23 | H18 | H19 | 120.0° | 120.0° |
| O21 | C16 | C1 | C2 | 2.0° | 0.0° |
| O21 | C16 | C1 | N15 | 179.5° | 179.8° |
| O21 | C16 | C1 | C12 | 179.4° | 180.0° |
| O21 | C16 | N15 | C14 | 179.7° | 179.9° |
| C16 | O21 | C23 | H17 | 180.0° | 60.0° |
| C16 | O21 | C23 | H18 | 60.0° | 180.0° |
| C16 | O21 | C23 | H19 | 60.0° | 60.0° |
| C4 | C2 | C1 | H8 | 110.4° | 120.0° |
| C2 | C4 | C5 | C9 | 140.5° | 119.7° |
| C2 | C4 | C5 | H9 | 109.3° | 120.5° |
| C2 | C4 | C5 | C6 | 172.8° | 172.8° |
| C2 | C4 | C9 | H9 | 112.1° | 120.4° |
| C4 | C2 | C1 | C16 | 98.9° | 85.0° |
| C4 | C2 | C1 | C12 | 84.1° | 95.0° |
| C2 | C4 | C9 | O11 | 8.0° | 48.9° |
| C2 | C4 | C9 | C8 | 135.2° | 169.1° |
| C2 | C4 | C5 | H10 | 70.4° | 67.4° |
| C2 | C4 | C9 | H13 | 109.5° | 70.8° |
| C4 | C2 | O3 | H23 | 180.0° | 71.3° |
| C1 | C2 | C4 | C5 | 128.0° | 173.9° |
| C1 | C2 | C4 | C9 | 10.5° | 54.9° |
| C2 | C1 | C16 | C12 | 177.3° | 180.0° |
| C2 | C1 | C16 | N15 | 178.5° | 179.8° |
| C2 | C1 | C12 | C13 | 178.1° | 180.0° |
| C1 | C2 | C4 | H9 | 122.6° | 65.5° |
| C2 | C1 | C12 | H14 | 1.9° | 0.0° |
| C1 | C2 | O3 | H23 | 36.1° | 48.7° |
| C25 | C6 | C24 | C5 | 124.5° | 119.8° |
| C25 | C6 | C24 | C7 | 116.0° | 119.6° |
| C25 | C6 | C5 | C4 | 55.1° | 70.6° |
| C25 | C6 | C5 | C7 | 121.8° | 120.0° |
| C25 | C6 | C7 | C8 | 89.6° | 103.0° |
| C25 | C6 | C24 | H5 | 180.0° | 179.7° |
| C25 | C6 | C24 | H6 | 60.0° | 60.3° |
| C25 | C6 | C24 | H7 | 60.0° | 59.8° |
| C25 | C6 | C5 | H10 | 172.0° | 169.7° |
| C25 | C6 | C7 | H11 | 90.4° | 77.0° |
| C6 | C25 | H20 | H21 | 120.0° | 120.1° |
| C6 | C25 | H20 | H22 | 120.0° | 120.0° |
| C6 | C25 | H21 | H22 | 120.0° | 119.9° |
| C24 | C6 | C5 | C4 | 176.4° | 169.6° |
| C24 | C6 | C5 | C7 | 117.0° | 120.2° |
| C24 | C6 | C7 | C8 | 154.3° | 137.3° |
| C6 | C24 | H5 | H6 | 120.0° | 120.0° |
| C6 | C24 | H5 | H7 | 120.0° | 120.0° |
| C6 | C24 | H6 | H7 | 120.0° | 120.1° |
| C24 | C6 | C5 | H10 | 66.8° | 49.9° |
| C24 | C6 | C7 | H11 | 25.7° | 42.7° |
| C24 | C6 | C25 | H20 | 180.0° | 59.9° |
| C24 | C6 | C25 | H21 | 60.0° | 180.0° |
| C24 | C6 | C25 | H22 | 60.0° | 60.0° |
| C4 | C5 | C6 | H10 | 116.8° | 119.7° |
| C5 | C4 | C9 | H9 | 110.5° | 119.9° |
| C4 | C5 | C6 | C7 | 66.6° | 49.4° |
| C5 | C4 | C9 | O11 | 129.5° | 70.8° |
| C5 | C4 | C9 | C8 | 2.2° | 49.4° |
| C5 | C4 | C2 | H8 | 121.4° | 66.1° |
| C5 | C4 | C9 | H13 | 113.0° | 169.4° |
| C4 | C5 | O10 | H24 | 180.0° | 180.0° |
| C6 | C5 | C4 | C9 | 46.7° | 67.4° |
| C5 | C6 | C7 | C8 | 35.5° | 17.1° |
| C5 | C6 | C24 | H5 | 55.5° | 60.0° |
| C5 | C6 | C24 | H6 | 175.5° | 180.0° |
| C5 | C6 | C24 | H7 | 64.5° | 60.0° |
| C6 | C5 | C4 | H9 | 63.6° | 52.3° |
| C5 | C6 | C7 | H11 | 144.5° | 162.9° |
| C5 | C6 | C25 | H20 | 58.1° | 179.7° |
| C5 | C6 | C25 | H21 | 61.9° | 60.2° |
| C5 | C6 | C25 | H22 | 178.0° | 59.7° |
| C6 | C5 | O10 | H24 | 57.9° | 61.0° |
| C4 | C9 | O11 | C8 | 131.1° | 120.7° |
| C4 | C9 | O11 | H13 | 116.5° | 119.7° |
| C4 | C9 | C8 | H13 | 115.1° | 120.1° |
| C4 | C9 | C8 | C7 | 33.9° | 17.2° |
| C9 | C4 | C2 | H8 | 100.1° | 174.9° |
| C9 | C4 | C5 | H10 | 70.0° | 52.3° |
| C4 | C9 | C8 | H12 | 146.1° | 162.9° |
| C4 | C9 | O11 | H25 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 14.2° | 0.5° |
| C6 | C7 | C8 | H11 | 180.0° | 180.0° |
| C7 | C6 | C24 | H5 | 64.0° | 60.7° |
| C7 | C6 | C24 | H6 | 56.1° | 59.3° |
| C7 | C6 | C24 | H7 | 176.0° | 179.4° |
| C7 | C6 | C5 | H10 | 50.2° | 70.3° |
| C6 | C7 | C8 | H12 | 165.7° | 179.5° |
| C7 | C6 | C25 | H20 | 65.0° | 59.7° |
| C7 | C6 | C25 | H21 | 175.0° | 60.4° |
| C7 | C6 | C25 | H22 | 54.9° | 179.7° |
| C1 | C16 | N15 | C14 | 0.3° | 0.2° |
| C16 | C1 | C12 | C13 | 1.3° | 0.0° |
| C16 | C1 | C2 | H8 | 11.6° | 35.0° |
| C16 | C1 | C12 | H14 | 178.7° | 180.0° |
| N15 | C16 | C1 | C12 | 1.2° | 0.2° |
| C16 | N15 | C14 | C13 | 0.4° | 0.1° |
| C16 | N15 | C14 | C20 | 179.8° | 180.0° |
| C1 | C12 | C13 | H14 | 180.0° | 180.0° |
| C1 | C12 | C13 | C14 | 0.7° | 0.2° |
| C1 | C12 | C13 | C17 | 179.6° | 180.0° |
| C12 | C1 | C2 | H8 | 165.5° | 145.0° |
| N15 | C14 | C13 | C12 | 0.2° | 0.2° |
| N15 | C14 | C13 | C20 | 179.8° | 179.9° |
| N15 | C14 | C13 | C17 | 179.6° | 180.0° |
| N15 | C14 | C20 | C22 | 0.3° | 0.3° |
| N15 | C14 | C20 | C19 | 179.7° | 179.6° |
| C12 | C13 | C14 | C17 | 179.8° | 179.8° |
| C12 | C13 | C14 | C20 | 180.0° | 179.8° |
| C12 | C13 | C17 | C18 | 179.8° | 180.0° |
| C12 | C13 | C17 | H1 | 0.2° | 0.1° |
| O11 | C9 | C8 | H13 | 113.5° | 119.7° |
| O11 | C9 | C8 | C7 | 165.3° | 103.0° |
| O11 | C9 | C4 | H9 | 120.0° | 169.3° |
| O11 | C9 | C8 | H12 | 14.7° | 76.9° |
| C9 | C8 | C7 | H12 | 180.0° | 180.0° |
| C8 | C9 | C4 | H9 | 112.7° | 70.5° |
| C9 | C8 | C7 | H11 | 165.8° | 179.5° |
| C8 | C9 | O11 | H25 | 48.9° | 59.4° |
| C7 | C8 | C9 | H13 | 81.2° | 137.3° |
| C13 | C14 | C20 | C22 | 179.9° | 179.8° |
| C13 | C14 | C20 | C19 | 0.1° | 0.5° |
| C14 | C13 | C17 | C18 | 0.0° | 0.2° |
| C14 | C13 | C17 | H1 | 179.9° | 179.8° |
| C14 | C13 | C12 | H14 | 179.3° | 179.8° |
| C20 | C14 | C13 | C17 | 0.2° | 0.1° |
| C14 | C20 | C22 | C19 | 179.9° | 179.3° |
| C14 | C20 | C19 | C18 | 0.0° | 0.7° |
| C14 | C20 | C22 | H2 | 90.0° | 89.2° |
| C14 | C20 | C22 | H3 | 150.0° | 30.7° |
| C14 | C20 | C22 | H4 | 29.9° | 150.8° |
| C14 | C20 | C19 | H16 | 180.0° | 180.0° |
| C13 | C17 | C18 | H1 | 180.0° | 179.9° |
| C13 | C17 | C18 | C19 | 0.2° | 0.0° |
| C17 | C13 | C12 | H14 | 0.4° | 0.0° |
| C13 | C17 | C18 | H15 | 179.8° | 179.9° |
| C22 | C20 | C19 | C18 | 179.9° | 180.0° |
| C20 | C22 | H2 | H3 | 120.0° | 120.0° |
| C20 | C22 | H2 | H4 | 120.0° | 120.0° |
| C20 | C22 | H3 | H4 | 120.0° | 120.1° |
| C22 | C20 | C19 | H16 | 0.1° | 0.7° |
| C20 | C19 | C18 | C17 | 0.2° | 0.5° |
| C20 | C19 | C18 | H16 | 180.0° | 179.3° |
| C19 | C20 | C22 | H2 | 90.0° | 90.0° |
| C19 | C20 | C22 | H3 | 30.0° | 150.0° |
| C19 | C20 | C22 | H4 | 150.0° | 29.9° |
| C20 | C19 | C18 | H15 | 179.8° | 179.5° |
| C17 | C18 | C19 | H15 | 180.0° | 180.0° |
| C17 | C18 | C19 | H16 | 179.8° | 179.8° |
| C19 | C18 | C17 | H1 | 179.9° | 180.0° |
| H1 | C17 | C18 | H15 | 0.1° | 0.0° |
| H2 | C22 | H3 | H4 | 120.0° | 119.9° |
| H5 | C24 | H6 | H7 | 120.0° | 119.9° |
| H8 | C2 | C4 | H9 | 11.9° | 54.5° |
| H8 | C2 | O3 | H23 | 70.7° | 168.7° |
| H9 | C4 | C5 | H10 | 179.7° | 172.1° |
| H9 | C4 | C9 | H13 | 2.5° | 49.6° |
| H10 | C5 | O10 | H24 | 61.6° | 59.5° |
| H11 | C7 | C8 | H12 | 14.2° | 0.4° |
| H12 | C8 | C9 | H13 | 98.8° | 42.8° |
| H13 | C9 | O11 | H25 | 63.5° | 60.2° |
| H15 | C18 | C19 | H16 | 0.2° | 0.2° |
| H17 | C23 | H18 | H19 | 120.0° | 120.1° |
| H20 | C25 | H21 | H22 | 120.0° | 120.0° |
