2X5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C3 | sing | 1.43Å | 1.42Å | |
| O2 | C1 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | O7 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.54Å | 1.56Å | |
| C18 | O17 | sing | 1.44Å | 1.43Å | |
| C18 | C10 | sing | 1.54Å | 1.55Å | |
| C1 | C6 | sing | 1.53Å | 1.55Å | |
| O7 | C8 | sing | 1.36Å | 1.38Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| C8 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.43Å | Aromatic |
| O17 | C16 | sing | 1.35Å | 1.35Å | |
| C5 | C10 | sing | 1.52Å | 1.54Å | |
| C11 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | C9 | sing | 1.50Å | 1.54Å | |
| C10 | N15 | sing | 1.47Å | 1.46Å | |
| C9 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C24 | N23 | doub | 1.32Å | 1.35Å | Aromatic |
| C24 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C19 | sing | 1.48Å | 1.42Å | |
| C16 | N15 | doub | 1.30Å | 1.33Å | |
| C16 | N25 | sing | 1.37Å | 1.34Å | |
| N23 | C22 | sing | 1.32Å | 1.35Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.42Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.42Å | Aromatic |
| C21 | CL1 | sing | 1.74Å | 1.71Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| N25 | H17 | sing | 0.97Å | 1.00Å | |
| N25 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | O2 | C1 | 115.0° | 114.2° |
| O2 | C3 | C4 | 108.1° | 109.4° |
| O2 | C3 | H3 | 109.8° | 109.5° |
| O2 | C3 | H4 | 109.8° | 109.5° |
| O2 | C1 | C6 | 108.8° | 109.4° |
| O2 | C1 | H1 | 109.6° | 109.5° |
| O2 | C1 | H2 | 109.6° | 109.5° |
| C3 | C4 | O7 | 107.5° | 109.7° |
| C3 | C4 | C5 | 110.5° | 109.0° |
| C4 | C3 | H3 | 109.8° | 109.5° |
| C4 | C3 | H4 | 109.8° | 109.5° |
| C3 | C4 | H5 | 108.9° | 109.7° |
| O7 | C4 | C5 | 110.5° | 108.2° |
| C4 | O7 | C8 | 118.6° | 118.0° |
| O7 | C4 | H5 | 110.7° | 109.7° |
| C4 | C5 | C6 | 111.8° | 108.9° |
| C4 | C5 | C10 | 112.2° | 108.1° |
| C5 | C4 | H5 | 108.8° | 110.4° |
| C4 | C5 | H6 | 104.8° | 109.7° |
| O17 | C18 | C10 | 105.8° | 101.2° |
| C18 | O17 | C16 | 108.0° | 107.7° |
| O17 | C18 | H12 | 110.4° | 111.1° |
| O17 | C18 | H13 | 110.4° | 111.1° |
| C18 | C10 | C5 | 114.4° | 110.4° |
| C18 | C10 | C9 | 109.4° | 110.4° |
| C18 | C10 | N15 | 102.1° | 102.7° |
| C10 | C18 | H12 | 110.4° | 111.1° |
| C10 | C18 | H13 | 110.4° | 111.0° |
| C1 | C6 | C5 | 109.8° | 109.1° |
| C6 | C1 | H1 | 109.6° | 109.4° |
| C6 | C1 | H2 | 109.6° | 109.5° |
| C1 | C6 | H7 | 109.4° | 109.6° |
| C1 | C6 | H8 | 109.4° | 109.5° |
| O7 | C8 | C11 | 118.3° | 118.5° |
| O7 | C8 | C9 | 121.5° | 121.6° |
| C6 | C5 | C10 | 116.7° | 110.0° |
| C6 | C5 | H6 | 105.0° | 110.4° |
| C5 | C6 | H7 | 109.4° | 109.5° |
| C5 | C6 | H8 | 109.4° | 109.5° |
| C11 | C8 | C9 | 120.2° | 119.9° |
| C8 | C11 | C12 | 120.8° | 120.4° |
| C8 | C11 | H9 | 119.6° | 119.8° |
| C8 | C9 | C10 | 121.9° | 120.9° |
| C8 | C9 | C14 | 118.7° | 119.8° |
| O17 | C16 | N15 | 113.8° | 113.9° |
| O17 | C16 | N25 | 119.0° | 123.0° |
| C5 | C10 | C9 | 110.0° | 111.0° |
| C5 | C10 | N15 | 108.8° | 111.0° |
| C10 | C5 | H6 | 105.1° | 109.7° |
| C11 | C12 | C13 | 119.1° | 119.8° |
| C12 | C11 | H9 | 119.6° | 119.8° |
| C11 | C12 | H10 | 120.4° | 120.1° |
| C9 | C10 | N15 | 112.0° | 111.0° |
| C10 | C9 | C14 | 119.3° | 119.3° |
| C10 | N15 | C16 | 109.7° | 108.1° |
| C9 | C14 | C13 | 121.2° | 120.3° |
| C9 | C14 | H11 | 119.4° | 119.8° |
| C12 | C13 | C14 | 119.9° | 119.8° |
| C12 | C13 | C19 | 122.6° | 120.1° |
| C13 | C12 | H10 | 120.4° | 120.1° |
| C14 | C13 | C19 | 117.4° | 120.1° |
| C13 | C14 | H11 | 119.4° | 119.9° |
| N23 | C24 | C19 | 123.2° | 120.6° |
| C24 | N23 | C22 | 119.2° | 121.8° |
| N23 | C24 | H16 | 118.4° | 119.7° |
| C24 | C19 | C13 | 120.4° | 120.5° |
| C24 | C19 | C20 | 118.0° | 119.0° |
| C19 | C24 | H16 | 118.4° | 119.7° |
| C13 | C19 | C20 | 121.4° | 120.5° |
| N15 | C16 | N25 | 126.5° | 123.1° |
| C16 | N25 | H17 | 120.0° | 120.0° |
| C16 | N25 | H18 | 120.0° | 120.0° |
| N23 | C22 | C21 | 121.8° | 121.0° |
| N23 | C22 | H15 | 119.1° | 119.4° |
| C19 | C20 | C21 | 118.1° | 118.3° |
| C19 | C20 | H14 | 121.0° | 120.9° |
| C22 | C21 | C20 | 119.7° | 119.2° |
| C22 | C21 | CL1 | 119.6° | 120.4° |
| C21 | C22 | H15 | 119.1° | 119.5° |
| C20 | C21 | CL1 | 120.7° | 120.4° |
| C21 | C20 | H14 | 121.0° | 120.8° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.6° |
| H12 | C18 | H13 | 109.5° | 111.0° |
| H17 | N25 | H18 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C3 | C4 | H3 | 119.8° | 120.0° |
| O2 | C3 | C4 | H4 | 119.8° | 120.0° |
| O2 | C3 | C4 | O7 | 175.2° | 176.0° |
| O2 | C3 | C4 | C5 | 54.5° | 57.7° |
| C3 | O2 | C1 | C6 | 65.6° | 61.0° |
| C3 | O2 | C1 | H1 | 174.5° | 179.0° |
| C3 | O2 | C1 | H2 | 54.3° | 59.0° |
| O2 | C3 | H3 | H4 | 120.6° | 120.0° |
| O2 | C3 | C4 | H5 | 64.9° | 63.4° |
| C1 | O2 | C3 | C4 | 65.1° | 61.2° |
| O2 | C1 | C6 | H1 | 119.9° | 120.0° |
| O2 | C1 | C6 | H2 | 119.9° | 120.1° |
| O2 | C1 | C6 | C5 | 54.8° | 57.7° |
| O2 | C1 | H1 | H2 | 120.3° | 120.0° |
| C1 | O2 | C3 | H3 | 54.8° | 58.8° |
| C1 | O2 | C3 | H4 | 175.1° | 178.8° |
| O2 | C1 | C6 | H7 | 65.3° | 62.2° |
| O2 | C1 | C6 | H8 | 174.8° | 177.6° |
| C3 | C4 | O7 | C5 | 120.6° | 118.8° |
| C3 | C4 | O7 | H5 | 118.8° | 120.6° |
| C3 | C4 | C5 | H5 | 119.5° | 120.6° |
| C3 | C4 | O7 | C8 | 167.8° | 168.8° |
| C3 | C4 | C5 | C6 | 49.8° | 57.3° |
| C3 | C4 | C5 | C10 | 176.8° | 176.7° |
| C4 | C3 | H3 | H4 | 120.6° | 120.1° |
| C3 | C4 | C5 | H6 | 63.4° | 63.7° |
| O7 | C4 | C5 | H5 | 121.7° | 120.1° |
| O7 | C4 | C5 | C6 | 168.7° | 176.5° |
| C4 | O7 | C8 | C11 | 161.2° | 161.9° |
| C4 | O7 | C8 | C9 | 20.1° | 18.3° |
| O7 | C4 | C5 | C10 | 58.0° | 64.1° |
| O7 | C4 | C3 | H3 | 55.4° | 56.1° |
| O7 | C4 | C3 | H4 | 65.0° | 64.0° |
| O7 | C4 | C5 | H6 | 55.5° | 55.5° |
| C4 | C5 | C10 | C18 | 83.5° | 75.5° |
| C4 | C5 | C6 | C1 | 49.6° | 57.2° |
| C5 | C4 | O7 | C8 | 47.2° | 50.0° |
| C4 | C5 | C6 | C10 | 131.1° | 118.3° |
| C4 | C5 | C6 | H6 | 113.1° | 120.5° |
| C4 | C5 | C10 | H6 | 113.3° | 119.6° |
| C4 | C5 | C10 | C9 | 40.2° | 47.3° |
| C4 | C5 | C10 | N15 | 163.2° | 171.2° |
| C5 | C4 | C3 | H3 | 65.3° | 62.2° |
| C5 | C4 | C3 | H4 | 174.3° | 177.7° |
| C4 | C5 | C6 | H7 | 70.4° | 62.7° |
| C4 | C5 | C6 | H8 | 169.7° | 177.1° |
| O17 | C18 | C10 | H12 | 119.4° | 118.0° |
| O17 | C18 | C10 | H13 | 119.4° | 118.0° |
| O17 | C18 | C10 | C5 | 109.9° | 95.5° |
| O17 | C18 | C10 | C9 | 126.1° | 141.4° |
| O17 | C18 | C10 | N15 | 7.4° | 23.0° |
| C18 | O17 | C16 | N15 | 5.4° | 16.9° |
| C18 | O17 | C16 | N25 | 176.3° | 163.1° |
| O17 | C18 | H12 | H13 | 121.7° | 124.1° |
| C18 | C10 | C5 | C6 | 47.4° | 43.3° |
| C18 | C10 | C9 | C8 | 112.7° | 105.6° |
| C10 | C18 | O17 | C16 | 7.8° | 24.2° |
| C18 | C10 | C5 | C9 | 123.7° | 122.8° |
| C18 | C10 | C5 | N15 | 113.4° | 113.3° |
| C18 | C10 | C9 | N15 | 112.4° | 113.2° |
| C18 | C10 | C9 | C14 | 65.3° | 74.1° |
| C18 | C10 | N15 | C16 | 4.5° | 14.7° |
| C18 | C10 | C5 | H6 | 163.2° | 165.0° |
| C10 | C18 | H12 | H13 | 121.7° | 124.1° |
| C1 | C6 | C5 | H7 | 120.1° | 119.9° |
| C1 | C6 | C5 | H8 | 120.1° | 119.9° |
| C1 | C6 | C5 | C10 | 179.3° | 175.5° |
| C6 | C1 | H1 | H2 | 120.3° | 120.0° |
| C1 | C6 | C5 | H6 | 63.5° | 63.3° |
| C1 | C6 | H7 | H8 | 119.8° | 120.2° |
| O7 | C8 | C11 | C9 | 178.8° | 179.8° |
| O7 | C8 | C11 | C12 | 179.7° | 179.7° |
| O7 | C8 | C9 | C10 | 2.3° | 0.6° |
| O7 | C8 | C9 | C14 | 179.8° | 179.7° |
| C8 | O7 | C4 | H5 | 73.4° | 70.6° |
| O7 | C8 | C11 | H9 | 0.3° | 0.3° |
| C6 | C5 | C10 | H6 | 115.8° | 121.7° |
| C6 | C5 | C10 | C9 | 171.1° | 166.1° |
| C6 | C5 | C10 | N15 | 65.9° | 70.0° |
| C5 | C6 | C1 | H1 | 174.7° | 177.6° |
| C5 | C6 | C1 | H2 | 65.2° | 62.4° |
| C6 | C5 | C4 | H5 | 69.6° | 63.4° |
| C5 | C6 | H7 | H8 | 119.8° | 120.1° |
| C8 | C11 | C12 | H9 | 180.0° | 179.9° |
| C11 | C8 | C9 | C10 | 179.0° | 179.6° |
| C11 | C8 | C9 | C14 | 1.1° | 0.1° |
| C8 | C11 | C12 | C13 | 1.2° | 0.1° |
| C8 | C11 | C12 | H10 | 178.8° | 180.0° |
| C8 | C9 | C10 | C5 | 13.8° | 17.1° |
| C9 | C8 | C11 | C12 | 1.0° | 0.1° |
| C8 | C9 | C10 | C14 | 177.9° | 179.7° |
| C8 | C9 | C10 | N15 | 134.9° | 141.1° |
| C8 | C9 | C14 | C13 | 1.4° | 0.0° |
| C9 | C8 | C11 | H9 | 179.0° | 179.9° |
| C8 | C9 | C14 | H11 | 178.6° | 179.9° |
| O17 | C16 | N15 | C10 | 0.2° | 0.5° |
| O17 | C16 | N15 | N25 | 170.1° | 179.9° |
| C16 | O17 | C18 | H12 | 127.3° | 93.9° |
| C16 | O17 | C18 | H13 | 111.6° | 142.1° |
| O17 | C16 | N25 | H17 | 0.0° | 180.0° |
| O17 | C16 | N25 | H18 | 180.0° | 0.0° |
| C5 | C10 | C9 | N15 | 121.1° | 124.0° |
| C5 | C10 | C9 | C14 | 168.2° | 163.1° |
| C5 | C10 | N15 | C16 | 116.8° | 103.3° |
| C10 | C5 | C4 | H5 | 63.7° | 56.1° |
| C10 | C5 | C6 | H7 | 60.6° | 55.5° |
| C10 | C5 | C6 | H8 | 59.3° | 64.7° |
| C5 | C10 | C18 | H12 | 9.5° | 146.5° |
| C5 | C10 | C18 | H13 | 130.7° | 22.4° |
| C11 | C12 | C13 | H10 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.5° | 0.2° |
| C11 | C12 | C13 | C19 | 177.7° | 179.9° |
| C10 | C9 | C14 | C13 | 179.4° | 179.7° |
| C9 | C10 | N15 | C16 | 121.5° | 132.7° |
| C9 | C10 | C5 | H6 | 73.1° | 72.2° |
| C10 | C9 | C14 | H11 | 0.6° | 0.4° |
| C9 | C10 | C18 | H12 | 114.5° | 23.4° |
| C9 | C10 | C18 | H13 | 6.7° | 100.7° |
| N15 | C10 | C9 | C14 | 47.1° | 39.2° |
| C10 | N15 | C16 | N25 | 170.3° | 179.5° |
| N15 | C10 | C5 | H6 | 49.8° | 51.7° |
| N15 | C10 | C18 | H12 | 126.8° | 95.1° |
| N15 | C10 | C18 | H13 | 112.0° | 140.9° |
| C9 | C14 | C13 | C12 | 1.6° | 0.1° |
| C9 | C14 | C13 | H11 | 180.0° | 179.9° |
| C9 | C14 | C13 | C19 | 178.0° | 180.0° |
| C12 | C13 | C14 | C19 | 176.4° | 179.9° |
| C12 | C13 | C19 | C24 | 32.3° | 179.7° |
| C12 | C13 | C19 | C20 | 152.8° | 0.0° |
| C13 | C12 | C11 | H9 | 178.8° | 180.0° |
| C12 | C13 | C14 | H11 | 178.4° | 180.0° |
| C14 | C13 | C19 | C24 | 144.0° | 0.2° |
| C14 | C13 | C19 | C20 | 30.9° | 180.0° |
| C14 | C13 | C12 | H10 | 178.5° | 179.9° |
| N23 | C24 | C19 | H16 | 180.0° | 179.4° |
| N23 | C24 | C19 | C13 | 177.7° | 179.7° |
| N23 | C24 | C19 | C20 | 2.6° | 0.6° |
| C24 | N23 | C22 | C21 | 0.1° | 0.4° |
| C24 | N23 | C22 | H15 | 180.0° | 179.8° |
| C24 | C19 | C13 | C20 | 174.9° | 179.8° |
| C19 | C24 | N23 | C22 | 1.8° | 0.6° |
| C24 | C19 | C20 | C21 | 1.7° | 0.3° |
| C24 | C19 | C20 | H14 | 178.3° | 179.8° |
| C13 | C19 | C20 | C21 | 176.7° | 180.0° |
| C19 | C13 | C12 | H10 | 2.3° | 0.0° |
| C19 | C13 | C14 | H11 | 2.0° | 0.1° |
| C13 | C19 | C20 | H14 | 3.3° | 0.0° |
| C13 | C19 | C24 | H16 | 2.3° | 0.2° |
| N15 | C16 | N25 | H17 | 169.6° | 0.1° |
| N15 | C16 | N25 | H18 | 10.4° | 180.0° |
| C16 | N25 | H17 | H18 | 180.0° | 180.0° |
| N23 | C22 | C21 | H15 | 180.0° | 179.9° |
| N23 | C22 | C21 | C20 | 0.7° | 0.0° |
| N23 | C22 | C21 | CL1 | 179.4° | 179.9° |
| C22 | N23 | C24 | H16 | 178.2° | 179.9° |
| C19 | C20 | C21 | C22 | 0.2° | 0.0° |
| C19 | C20 | C21 | H14 | 180.0° | 179.9° |
| C19 | C20 | C21 | CL1 | 179.7° | 180.0° |
| C20 | C19 | C24 | H16 | 177.4° | 180.0° |
| C22 | C21 | C20 | CL1 | 179.9° | 180.0° |
| C22 | C21 | C20 | H14 | 179.8° | 179.9° |
| C20 | C21 | C22 | H15 | 179.2° | 179.9° |
| CL1 | C21 | C20 | H14 | 0.3° | 0.0° |
| CL1 | C21 | C22 | H15 | 0.6° | 0.1° |
| H1 | C1 | C6 | H7 | 54.6° | 57.7° |
| H1 | C1 | C6 | H8 | 65.3° | 62.5° |
| H2 | C1 | C6 | H7 | 174.8° | 177.7° |
| H2 | C1 | C6 | H8 | 54.9° | 57.5° |
| H3 | C3 | C4 | H5 | 175.3° | 176.7° |
| H4 | C3 | C4 | H5 | 54.9° | 56.6° |
| H5 | C4 | C5 | H6 | 177.2° | 175.7° |
| H6 | C5 | C6 | H7 | 176.4° | 176.8° |
| H6 | C5 | C6 | H8 | 56.6° | 56.6° |
| H9 | C11 | C12 | H10 | 1.2° | 0.1° |
