2O7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N43 | C42 | trip | 1.16Å | 1.16Å | |
| C42 | C37 | sing | 1.43Å | 1.43Å | |
| C37 | C35 | doub | 1.39Å | 1.40Å | Aromatic |
| C37 | C38 | sing | 1.40Å | 1.40Å | Aromatic |
| C35 | C33 | sing | 1.40Å | 1.40Å | Aromatic |
| C38 | C40 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | C32 | doub | 1.39Å | 1.41Å | Aromatic |
| C40 | C32 | sing | 1.39Å | 1.41Å | Aromatic |
| C32 | C29 | sing | 1.50Å | 1.51Å | |
| C29 | C1 | sing | 1.53Å | 1.56Å | |
| CL26 | C23 | sing | 1.72Å | 1.71Å | |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| N16 | C15 | trip | 1.16Å | 1.15Å | |
| C24 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.42Å | 1.46Å | |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C1 | sing | 1.50Å | 1.53Å | |
| C14 | C13 | doub | 1.35Å | 1.37Å | |
| C17 | C13 | sing | 1.46Å | 1.51Å | |
| C17 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C1 | N2 | sing | 1.44Å | 1.46Å | |
| C1 | C9 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.49Å | 1.50Å | |
| C12 | N2 | sing | 1.38Å | 1.34Å | |
| C12 | O28 | doub | 1.22Å | 1.23Å | |
| N2 | C3 | sing | 1.45Å | 1.46Å | |
| C20 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | CL27 | sing | 1.72Å | 1.70Å | |
| C3 | C6 | sing | 1.53Å | 1.54Å | |
| C9 | C6 | sing | 1.54Å | 1.55Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.10Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C33 | H33 | sing | 1.09Å | 1.08Å | |
| C35 | H35 | sing | 1.09Å | 1.08Å | |
| C6 | H61 | sing | 1.10Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.08Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.08Å | |
| C40 | H40 | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N43 | C42 | C37 | 177.9° | 180.0° |
| C42 | C37 | C35 | 120.2° | 120.0° |
| C42 | C37 | C38 | 118.7° | 120.0° |
| C35 | C37 | C38 | 121.2° | 120.0° |
| C37 | C35 | C33 | 119.3° | 120.0° |
| C37 | C35 | H35 | 120.3° | 120.9° |
| C37 | C38 | C40 | 118.8° | 120.0° |
| C37 | C38 | H38 | 120.6° | 120.8° |
| C35 | C33 | C32 | 120.7° | 119.6° |
| C35 | C33 | H33 | 119.7° | 119.5° |
| C33 | C35 | H35 | 120.4° | 119.1° |
| C38 | C40 | C32 | 121.3° | 119.7° |
| C40 | C38 | H38 | 120.6° | 119.2° |
| C38 | C40 | H40 | 119.3° | 119.5° |
| C33 | C32 | C40 | 118.5° | 120.7° |
| C33 | C32 | C29 | 120.6° | 119.7° |
| C32 | C33 | H33 | 119.7° | 120.8° |
| C40 | C32 | C29 | 120.9° | 119.6° |
| C32 | C40 | H40 | 119.3° | 120.8° |
| C32 | C29 | C1 | 115.7° | 111.4° |
| C32 | C29 | H291 | 107.5° | 110.3° |
| C32 | C29 | H292 | 106.0° | 110.3° |
| C29 | C1 | C14 | 115.0° | 111.6° |
| C29 | C1 | N2 | 111.1° | 111.1° |
| C29 | C1 | C9 | 109.8° | 112.8° |
| C1 | C29 | H291 | 107.4° | 109.1° |
| C1 | C29 | H292 | 106.0° | 109.1° |
| CL26 | C23 | C24 | 119.4° | 120.0° |
| CL26 | C23 | C21 | 117.1° | 120.0° |
| C24 | C23 | C21 | 123.5° | 120.0° |
| C23 | C24 | C17 | 119.1° | 120.3° |
| C23 | C24 | H24 | 120.4° | 119.9° |
| C23 | C21 | C20 | 117.1° | 120.0° |
| C23 | C21 | H21 | 121.5° | 120.0° |
| N16 | C15 | C14 | 176.7° | 180.0° |
| C24 | C17 | C13 | 119.2° | 120.3° |
| C24 | C17 | C18 | 118.1° | 119.4° |
| C17 | C24 | H24 | 120.5° | 119.8° |
| C15 | C14 | C1 | 120.6° | 122.7° |
| C15 | C14 | C13 | 129.7° | 124.4° |
| C21 | C20 | C18 | 121.2° | 120.0° |
| C21 | C20 | CL27 | 118.6° | 120.0° |
| C20 | C21 | H21 | 121.5° | 120.0° |
| C1 | C14 | C13 | 109.6° | 112.9° |
| C14 | C1 | N2 | 101.0° | 100.4° |
| C14 | C1 | C9 | 119.4° | 118.0° |
| C14 | C13 | C17 | 130.0° | 128.7° |
| C14 | C13 | C12 | 108.1° | 106.6° |
| C13 | C17 | C18 | 122.8° | 120.3° |
| C17 | C13 | C12 | 121.9° | 124.5° |
| C17 | C18 | C20 | 121.0° | 120.3° |
| C17 | C18 | H18 | 119.5° | 119.7° |
| N2 | C1 | C9 | 98.6° | 101.5° |
| C1 | N2 | C12 | 114.2° | 113.5° |
| C1 | N2 | C3 | 115.8° | 113.6° |
| C1 | C9 | C6 | 105.6° | 102.9° |
| C1 | C9 | H91 | 110.8° | 111.2° |
| C1 | C9 | H92 | 111.6° | 113.2° |
| C13 | C12 | N2 | 106.7° | 106.2° |
| C13 | C12 | O28 | 129.5° | 125.1° |
| N2 | C12 | O28 | 123.7° | 128.5° |
| C12 | N2 | C3 | 127.2° | 125.7° |
| N2 | C3 | C6 | 101.5° | 103.7° |
| N2 | C3 | H31 | 112.2° | 109.6° |
| N2 | C3 | H32 | 113.8° | 109.4° |
| C18 | C20 | CL27 | 120.1° | 120.0° |
| C20 | C18 | H18 | 119.5° | 120.0° |
| C3 | C6 | C9 | 106.8° | 104.3° |
| C6 | C3 | H31 | 112.2° | 112.4° |
| C6 | C3 | H32 | 113.9° | 112.1° |
| C3 | C6 | H61 | 110.4° | 109.8° |
| C3 | C6 | H62 | 111.0° | 112.5° |
| C6 | C9 | H91 | 110.8° | 109.2° |
| C6 | C9 | H92 | 111.6° | 112.3° |
| C9 | C6 | H61 | 110.4° | 109.8° |
| C9 | C6 | H62 | 111.0° | 112.7° |
| H31 | C3 | H32 | 103.5° | 109.5° |
| H91 | C9 | H92 | 106.5° | 108.0° |
| H61 | C6 | H62 | 107.4° | 107.8° |
| H291 | C29 | H292 | 114.5° | 106.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N43 | C42 | C37 | C35 | 89.9° | 18.4° |
| N43 | C42 | C37 | C38 | 89.1° | 161.5° |
| C42 | C37 | C35 | C38 | 179.0° | 179.9° |
| C42 | C37 | C35 | C33 | 179.4° | 180.0° |
| C42 | C37 | C38 | C40 | 179.5° | 180.0° |
| C42 | C37 | C35 | H35 | 0.6° | 0.0° |
| C42 | C37 | C38 | H38 | 0.5° | 0.1° |
| C37 | C35 | C33 | H35 | 180.0° | 180.0° |
| C35 | C37 | C38 | C40 | 1.5° | 0.1° |
| C37 | C35 | C33 | C32 | 1.3° | 0.0° |
| C37 | C35 | C33 | H33 | 178.7° | 179.9° |
| C35 | C37 | C38 | H38 | 178.5° | 180.0° |
| C38 | C37 | C35 | C33 | 1.6° | 0.0° |
| C37 | C38 | C40 | H38 | 180.0° | 179.9° |
| C37 | C38 | C40 | C32 | 1.5° | 0.1° |
| C38 | C37 | C35 | H35 | 178.4° | 179.9° |
| C37 | C38 | C40 | H40 | 178.5° | 180.0° |
| C35 | C33 | C32 | H33 | 180.0° | 179.9° |
| C35 | C33 | C32 | C40 | 4.1° | 0.0° |
| C35 | C33 | C32 | C29 | 173.8° | 180.0° |
| C38 | C40 | C32 | C33 | 4.2° | 0.0° |
| C38 | C40 | C32 | H40 | 180.0° | 180.0° |
| C38 | C40 | C32 | C29 | 173.7° | 180.0° |
| C33 | C32 | C40 | C29 | 177.9° | 180.0° |
| C33 | C32 | C29 | C1 | 97.7° | 90.0° |
| C32 | C33 | C35 | H35 | 178.7° | 180.0° |
| C33 | C32 | C29 | H291 | 142.3° | 31.3° |
| C33 | C32 | C29 | H292 | 19.5° | 148.7° |
| C33 | C32 | C40 | H40 | 175.8° | 180.0° |
| C40 | C32 | C29 | C1 | 80.2° | 90.0° |
| C40 | C32 | C33 | H33 | 175.9° | 179.9° |
| C40 | C32 | C29 | H291 | 39.8° | 148.8° |
| C40 | C32 | C29 | H292 | 162.6° | 31.3° |
| C32 | C40 | C38 | H38 | 178.5° | 180.0° |
| C32 | C29 | C1 | H291 | 120.0° | 121.9° |
| C32 | C29 | C1 | H292 | 117.2° | 122.0° |
| C32 | C29 | C1 | C14 | 51.3° | 60.0° |
| C32 | C29 | C1 | N2 | 62.7° | 51.1° |
| C32 | C29 | C1 | C9 | 170.7° | 164.4° |
| C29 | C32 | C33 | H33 | 6.2° | 0.1° |
| C32 | C29 | H291 | H292 | 117.5° | 119.7° |
| C29 | C32 | C40 | H40 | 6.3° | 0.0° |
| C29 | C1 | C14 | C15 | 61.5° | 67.8° |
| C29 | C1 | C14 | N2 | 119.7° | 117.8° |
| C29 | C1 | C14 | C9 | 133.7° | 133.0° |
| C29 | C1 | C14 | C13 | 115.3° | 111.6° |
| C29 | C1 | N2 | C9 | 115.2° | 120.1° |
| C29 | C1 | N2 | C12 | 116.9° | 113.7° |
| C29 | C1 | N2 | C3 | 80.5° | 94.1° |
| C29 | C1 | C9 | C6 | 85.4° | 82.9° |
| C29 | C1 | C9 | H91 | 34.6° | 160.3° |
| C29 | C1 | C9 | H92 | 153.1° | 38.5° |
| C1 | C29 | H291 | H292 | 117.4° | 117.6° |
| CL26 | C23 | C24 | C21 | 179.4° | 179.9° |
| CL26 | C23 | C24 | C17 | 178.1° | 180.0° |
| CL26 | C23 | C21 | C20 | 177.4° | 180.0° |
| CL26 | C23 | C21 | H21 | 2.6° | 0.1° |
| CL26 | C23 | C24 | H24 | 1.9° | 0.1° |
| C23 | C24 | C17 | H24 | 180.0° | 179.9° |
| C24 | C23 | C21 | C20 | 2.0° | 0.0° |
| C23 | C24 | C17 | C13 | 178.6° | 180.0° |
| C23 | C24 | C17 | C18 | 1.3° | 0.1° |
| C24 | C23 | C21 | H21 | 178.0° | 180.0° |
| C21 | C23 | C24 | C17 | 1.3° | 0.1° |
| C23 | C21 | C20 | H21 | 180.0° | 179.9° |
| C23 | C21 | C20 | C18 | 0.1° | 0.0° |
| C23 | C21 | C20 | CL27 | 178.5° | 180.0° |
| C21 | C23 | C24 | H24 | 178.7° | 180.0° |
| N16 | C15 | C14 | C1 | 177.5° | 26.3° |
| N16 | C15 | C14 | C13 | 1.5° | 154.3° |
| C24 | C17 | C13 | C14 | 146.8° | 90.0° |
| C24 | C17 | C13 | C18 | 179.9° | 179.9° |
| C24 | C17 | C13 | C12 | 33.9° | 96.2° |
| C24 | C17 | C18 | C20 | 3.2° | 0.1° |
| C24 | C17 | C18 | H18 | 176.8° | 180.0° |
| C15 | C14 | C1 | C13 | 176.8° | 179.4° |
| C15 | C14 | C13 | C17 | 2.1° | 0.3° |
| C15 | C14 | C1 | N2 | 178.8° | 174.3° |
| C15 | C14 | C1 | C9 | 72.3° | 65.2° |
| C15 | C14 | C13 | C12 | 178.4° | 175.0° |
| C21 | C20 | C18 | C17 | 2.5° | 0.1° |
| C21 | C20 | C18 | CL27 | 178.4° | 180.0° |
| C21 | C20 | C18 | H18 | 177.5° | 180.0° |
| C1 | C14 | C13 | C17 | 178.5° | 179.7° |
| C14 | C1 | N2 | C9 | 122.4° | 121.7° |
| C1 | C14 | C13 | C12 | 2.1° | 5.6° |
| C14 | C1 | N2 | C12 | 5.6° | 4.5° |
| C14 | C1 | N2 | C3 | 157.1° | 147.8° |
| C14 | C1 | C9 | C6 | 138.7° | 144.6° |
| C14 | C1 | C9 | H91 | 101.3° | 27.8° |
| C14 | C1 | C9 | H92 | 17.3° | 94.0° |
| C14 | C1 | C29 | H291 | 171.2° | 178.0° |
| C14 | C1 | C29 | H292 | 65.9° | 62.0° |
| C14 | C13 | C17 | C12 | 179.3° | 173.8° |
| C14 | C13 | C17 | C18 | 33.1° | 90.1° |
| C13 | C14 | C1 | N2 | 4.4° | 6.3° |
| C13 | C14 | C1 | C9 | 111.0° | 115.4° |
| C14 | C13 | C12 | N2 | 1.4° | 2.6° |
| C14 | C13 | C12 | O28 | 179.6° | 173.2° |
| C17 | C13 | C12 | N2 | 178.1° | 177.6° |
| C17 | C13 | C12 | O28 | 0.9° | 1.8° |
| C13 | C17 | C18 | C20 | 176.7° | 180.0° |
| C13 | C17 | C24 | H24 | 1.5° | 0.1° |
| C13 | C17 | C18 | H18 | 3.3° | 0.1° |
| C18 | C17 | C13 | C12 | 146.2° | 83.7° |
| C17 | C18 | C20 | H18 | 180.0° | 180.0° |
| C17 | C18 | C20 | CL27 | 175.9° | 180.0° |
| C18 | C17 | C24 | H24 | 178.7° | 180.0° |
| C1 | N2 | C12 | C13 | 4.6° | 1.5° |
| C1 | N2 | C12 | C3 | 160.3° | 148.3° |
| C1 | N2 | C12 | O28 | 176.4° | 177.1° |
| C1 | N2 | C3 | C6 | 23.1° | 4.6° |
| N2 | C1 | C9 | C6 | 30.8° | 36.1° |
| C1 | N2 | C3 | H31 | 143.1° | 115.6° |
| C1 | N2 | C3 | H32 | 99.7° | 124.4° |
| N2 | C1 | C9 | H91 | 150.8° | 80.7° |
| N2 | C1 | C9 | H92 | 90.7° | 157.5° |
| N2 | C1 | C29 | H291 | 57.3° | 70.8° |
| N2 | C1 | C29 | H292 | 179.9° | 173.2° |
| C9 | C1 | N2 | C12 | 127.9° | 126.2° |
| C9 | C1 | N2 | C3 | 34.8° | 26.0° |
| C1 | C9 | C6 | C3 | 19.7° | 34.3° |
| C1 | C9 | C6 | H91 | 120.0° | 118.2° |
| C1 | C9 | C6 | H92 | 121.5° | 122.0° |
| C1 | C9 | H91 | H92 | 121.6° | 124.8° |
| C1 | C9 | C6 | H61 | 139.7° | 83.2° |
| C1 | C9 | C6 | H62 | 101.4° | 156.6° |
| C9 | C1 | C29 | H291 | 50.8° | 42.4° |
| C9 | C1 | C29 | H292 | 72.1° | 73.6° |
| C13 | C12 | N2 | O28 | 179.1° | 175.6° |
| C13 | C12 | N2 | C3 | 155.7° | 146.8° |
| C12 | N2 | C3 | C6 | 137.0° | 143.6° |
| C12 | N2 | C3 | H31 | 17.0° | 96.2° |
| C12 | N2 | C3 | H32 | 100.2° | 23.9° |
| O28 | C12 | N2 | C3 | 23.3° | 28.8° |
| N2 | C3 | C6 | H31 | 120.0° | 118.3° |
| N2 | C3 | C6 | H32 | 122.8° | 117.8° |
| N2 | C3 | C6 | C9 | 0.2° | 19.0° |
| N2 | C3 | H31 | H32 | 123.2° | 120.0° |
| N2 | C3 | C6 | H61 | 119.7° | 98.6° |
| N2 | C3 | C6 | H62 | 121.3° | 141.4° |
| C18 | C20 | C21 | H21 | 179.9° | 180.0° |
| CL27 | C20 | C21 | H21 | 1.5° | 0.0° |
| CL27 | C20 | C18 | H18 | 4.1° | 0.0° |
| C3 | C6 | C9 | H61 | 120.0° | 117.5° |
| C3 | C6 | C9 | H62 | 121.1° | 122.3° |
| C6 | C3 | H31 | H32 | 123.2° | 125.3° |
| C3 | C6 | C9 | H91 | 139.7° | 83.9° |
| C3 | C6 | C9 | H92 | 101.8° | 156.4° |
| C3 | C6 | H61 | H62 | 121.1° | 122.8° |
| C9 | C6 | C3 | H31 | 120.2° | 137.3° |
| C9 | C6 | C3 | H32 | 122.6° | 98.9° |
| C6 | C9 | H91 | H92 | 121.6° | 122.4° |
| C9 | C6 | H61 | H62 | 121.1° | 123.1° |
| H31 | C3 | C6 | H61 | 0.2° | 19.7° |
| H31 | C3 | C6 | H62 | 118.7° | 100.3° |
| H32 | C3 | C6 | H61 | 117.4° | 143.6° |
| H32 | C3 | C6 | H62 | 1.5° | 23.6° |
| H91 | C9 | C6 | H61 | 100.3° | 158.6° |
| H91 | C9 | C6 | H62 | 18.6° | 38.4° |
| H92 | C9 | C6 | H61 | 18.3° | 38.8° |
| H92 | C9 | C6 | H62 | 137.2° | 81.4° |
| H33 | C33 | C35 | H35 | 1.3° | 0.1° |
| H38 | C38 | C40 | H40 | 1.5° | 0.0° |
