7X8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C7 | sing | 1.42Å | 1.42Å | |
| N2 | C6 | sing | 1.41Å | 1.41Å | |
| C7 | N3 | sing | 1.34Å | 1.34Å | Aromatic |
| C7 | N5 | doub | 1.34Å | 1.34Å | Aromatic |
| N3 | C8 | doub | 1.34Å | 1.34Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | N4 | sing | 1.40Å | 1.40Å | |
| C10 | N5 | sing | 1.33Å | 1.33Å | Aromatic |
| N4 | C11 | sing | 1.40Å | 1.40Å | |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | O2 | sing | 1.38Å | 1.38Å | |
| C12 | C14 | doub | 1.37Å | 1.37Å | Aromatic |
| O2 | C13 | sing | 1.43Å | 1.43Å | |
| C13 | O3 | sing | 1.45Å | 1.45Å | |
| O3 | C14 | sing | 1.37Å | 1.37Å | |
| C14 | C15 | sing | 1.37Å | 1.37Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | CL1 | sing | 1.74Å | 1.74Å | |
| N1 | C1 | sing | 1.38Å | 1.38Å | |
| C1 | O1 | doub | 1.23Å | 1.23Å | |
| C1 | C2 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | H2 | sing | 1.00Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N4 | H4 | sing | 1.00Å | 1.00Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| N1 | H1N1 | sing | 1.00Å | 1.00Å | |
| N1 | H1N2 | sing | 1.00Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C4 | HA | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N2 | C6 | 126.1° | 126.1° |
| N2 | C7 | N3 | 111.6° | 111.6° |
| N2 | C7 | N5 | 123.5° | 123.5° |
| C7 | N2 | H2 | 117.0° | 117.0° |
| N2 | C6 | C5 | 118.0° | 118.0° |
| N2 | C6 | C18 | 122.2° | 122.2° |
| C6 | N2 | H2 | 116.9° | 116.9° |
| N3 | C7 | N5 | 124.8° | 124.8° |
| C7 | N3 | C8 | 117.0° | 117.0° |
| C7 | N5 | C10 | 117.3° | 117.3° |
| N3 | C8 | C9 | 122.3° | 122.3° |
| N3 | C8 | H8 | 118.9° | 118.9° |
| C8 | C9 | C10 | 116.4° | 116.4° |
| C9 | C8 | H8 | 118.8° | 118.8° |
| C8 | C9 | H9 | 121.8° | 121.8° |
| C9 | C10 | N4 | 120.9° | 120.9° |
| C9 | C10 | N5 | 122.2° | 122.2° |
| C10 | C9 | H9 | 121.8° | 121.8° |
| N4 | C10 | N5 | 117.0° | 117.0° |
| C10 | N4 | C11 | 123.3° | 123.3° |
| C10 | N4 | H4 | 118.3° | 118.3° |
| N4 | C11 | C12 | 121.0° | 121.0° |
| N4 | C11 | C17 | 121.9° | 121.9° |
| C11 | N4 | H4 | 118.3° | 118.3° |
| C12 | C11 | C17 | 117.1° | 117.1° |
| C11 | C12 | O2 | 125.4° | 125.4° |
| C11 | C12 | C14 | 121.7° | 121.7° |
| C11 | C17 | C16 | 120.4° | 120.4° |
| C11 | C17 | CL1 | 117.5° | 117.5° |
| O2 | C12 | C14 | 112.9° | 112.9° |
| C12 | O2 | C13 | 98.7° | 98.7° |
| C12 | C14 | O3 | 111.2° | 111.2° |
| C12 | C14 | C15 | 122.1° | 122.1° |
| O2 | C13 | O3 | 112.8° | 112.8° |
| O2 | C13 | H131 | 108.4° | 108.4° |
| O2 | C13 | H132 | 107.6° | 107.6° |
| C13 | O3 | C14 | 99.7° | 99.7° |
| O3 | C13 | H131 | 108.4° | 108.4° |
| O3 | C13 | H132 | 107.6° | 107.6° |
| O3 | C14 | C15 | 126.7° | 126.7° |
| C14 | C15 | C16 | 116.4° | 116.4° |
| C14 | C15 | H15 | 121.8° | 121.8° |
| C15 | C16 | C17 | 122.2° | 122.2° |
| C16 | C15 | H15 | 121.8° | 121.8° |
| C15 | C16 | H16 | 118.9° | 118.9° |
| C16 | C17 | CL1 | 122.1° | 122.1° |
| C17 | C16 | H16 | 118.9° | 118.9° |
| N1 | C1 | O1 | 125.1° | 125.1° |
| N1 | C1 | C2 | 115.5° | 115.5° |
| C1 | N1 | H1N1 | 112.7° | 112.7° |
| C1 | N1 | H1N2 | 123.6° | 123.6° |
| O1 | C1 | C2 | 119.3° | 119.3° |
| C1 | C2 | C3 | 119.5° | 119.5° |
| C1 | C2 | C18 | 118.8° | 118.8° |
| C3 | C2 | C18 | 121.8° | 121.8° |
| C2 | C3 | C4 | 119.4° | 119.4° |
| C2 | C3 | H3 | 120.3° | 120.3° |
| C2 | C18 | C6 | 118.4° | 118.4° |
| C2 | C18 | H18 | 120.8° | 120.8° |
| C3 | C4 | C5 | 119.2° | 119.2° |
| C4 | C3 | H3 | 120.3° | 120.3° |
| C3 | C4 | HA | 120.4° | 120.4° |
| C4 | C5 | C6 | 121.3° | 121.3° |
| C5 | C4 | HA | 120.4° | 120.4° |
| C4 | C5 | H5 | 119.4° | 119.4° |
| C5 | C6 | C18 | 119.8° | 119.8° |
| C6 | C5 | H5 | 119.3° | 119.3° |
| C6 | C18 | H18 | 120.8° | 120.8° |
| H131 | C13 | H132 | 112.1° | 112.1° |
| H1N1 | N1 | H1N2 | 123.6° | 123.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N2 | C6 | H2 | 180.0° | 180.0° |
| N2 | C7 | N3 | N5 | 178.5° | 178.5° |
| N2 | C7 | N3 | C8 | 178.6° | 178.6° |
| N2 | C7 | N5 | C10 | 178.4° | 178.4° |
| C7 | N2 | C6 | C5 | 172.1° | 172.1° |
| C7 | N2 | C6 | C18 | 6.9° | 6.9° |
| C6 | N2 | C7 | N3 | 178.8° | 178.8° |
| C6 | N2 | C7 | N5 | 0.3° | 0.3° |
| N2 | C6 | C18 | C2 | 180.0° | 180.0° |
| N2 | C6 | C5 | C4 | 179.9° | 179.9° |
| N2 | C6 | C5 | C18 | 179.1° | 179.1° |
| N2 | C6 | C18 | H18 | 0.0° | 0.0° |
| N2 | C6 | C5 | H5 | 0.1° | 0.1° |
| C7 | N3 | C8 | C9 | 0.0° | 0.0° |
| N3 | C7 | N5 | C10 | 0.0° | 0.0° |
| N3 | C7 | N2 | H2 | 1.2° | 1.2° |
| C7 | N3 | C8 | H8 | 180.0° | 180.0° |
| N5 | C7 | N3 | C8 | 0.1° | 0.1° |
| C7 | N5 | C10 | C9 | 0.2° | 0.2° |
| C7 | N5 | C10 | N4 | 179.9° | 179.9° |
| N5 | C7 | N2 | H2 | 179.7° | 179.7° |
| N3 | C8 | C9 | H8 | 180.0° | 180.0° |
| N3 | C8 | C9 | C10 | 0.2° | 0.2° |
| N3 | C8 | C9 | H9 | 179.8° | 179.8° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | N4 | 179.8° | 179.8° |
| C8 | C9 | C10 | N5 | 0.4° | 0.4° |
| C9 | C10 | N4 | N5 | 179.9° | 179.9° |
| C9 | C10 | N4 | C11 | 3.9° | 3.9° |
| C10 | C9 | C8 | H8 | 179.8° | 179.8° |
| C9 | C10 | N4 | H4 | 176.1° | 176.1° |
| C10 | N4 | C11 | H4 | 180.0° | 180.0° |
| C10 | N4 | C11 | C12 | 68.9° | 68.9° |
| C10 | N4 | C11 | C17 | 111.8° | 111.8° |
| N4 | C10 | C9 | H9 | 0.2° | 0.2° |
| N5 | C10 | N4 | C11 | 176.0° | 176.0° |
| N5 | C10 | C9 | H9 | 179.6° | 179.6° |
| N5 | C10 | N4 | H4 | 4.0° | 4.0° |
| N4 | C11 | C12 | C17 | 179.4° | 179.4° |
| N4 | C11 | C12 | O2 | 2.0° | 2.0° |
| N4 | C11 | C12 | C14 | 178.6° | 178.6° |
| N4 | C11 | C17 | C16 | 179.4° | 179.4° |
| N4 | C11 | C17 | CL1 | 0.4° | 0.4° |
| C11 | C12 | O2 | C14 | 179.4° | 179.4° |
| C11 | C12 | O2 | C13 | 166.8° | 166.8° |
| C11 | C12 | C14 | O3 | 179.4° | 179.4° |
| C11 | C12 | C14 | C15 | 0.7° | 0.7° |
| C12 | C11 | C17 | C16 | 0.1° | 0.1° |
| C12 | C11 | C17 | CL1 | 179.8° | 179.8° |
| C12 | C11 | N4 | H4 | 111.1° | 111.1° |
| C17 | C11 | C12 | O2 | 178.6° | 178.6° |
| C17 | C11 | C12 | C14 | 0.8° | 0.8° |
| C11 | C17 | C16 | C15 | 1.1° | 1.1° |
| C11 | C17 | C16 | CL1 | 179.8° | 179.8° |
| C17 | C11 | N4 | H4 | 68.2° | 68.2° |
| C11 | C17 | C16 | H16 | 178.9° | 178.9° |
| C12 | O2 | C13 | O3 | 21.2° | 21.2° |
| O2 | C12 | C14 | O3 | 0.1° | 0.1° |
| O2 | C12 | C14 | C15 | 178.8° | 178.8° |
| C12 | O2 | C13 | H131 | 98.8° | 98.8° |
| C12 | O2 | C13 | H132 | 139.8° | 139.8° |
| C14 | C12 | O2 | C13 | 12.7° | 12.7° |
| C12 | C14 | O3 | C13 | 12.4° | 12.4° |
| C12 | C14 | O3 | C15 | 178.7° | 178.7° |
| C12 | C14 | C15 | C16 | 0.3° | 0.3° |
| C12 | C14 | C15 | H15 | 179.6° | 179.6° |
| O2 | C13 | O3 | H131 | 120.0° | 120.0° |
| O2 | C13 | O3 | H132 | 118.5° | 118.5° |
| O2 | C13 | O3 | C14 | 21.5° | 21.5° |
| O2 | C13 | H131 | H132 | 118.6° | 118.6° |
| C13 | O3 | C14 | C15 | 166.2° | 166.2° |
| O3 | C13 | H131 | H132 | 118.6° | 118.6° |
| O3 | C14 | C15 | C16 | 178.2° | 178.2° |
| C14 | O3 | C13 | H131 | 98.5° | 98.5° |
| C14 | O3 | C13 | H132 | 140.0° | 140.0° |
| O3 | C14 | C15 | H15 | 1.9° | 1.9° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 1.2° | 1.2° |
| C14 | C15 | C16 | H16 | 178.8° | 178.8° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | CL1 | 178.7° | 178.7° |
| C17 | C16 | C15 | H15 | 178.8° | 178.8° |
| CL1 | C17 | C16 | H16 | 1.3° | 1.3° |
| N1 | C1 | O1 | C2 | 180.0° | 180.0° |
| N1 | C1 | C2 | C3 | 46.9° | 46.9° |
| N1 | C1 | C2 | C18 | 134.0° | 134.0° |
| C1 | N1 | H1N1 | H1N2 | 180.0° | 180.0° |
| O1 | C1 | C2 | C3 | 133.0° | 133.0° |
| O1 | C1 | C2 | C18 | 46.0° | 46.0° |
| O1 | C1 | N1 | H1N1 | 0.0° | 0.0° |
| O1 | C1 | N1 | H1N2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C18 | 179.0° | 179.0° |
| C1 | C2 | C3 | C4 | 179.3° | 179.3° |
| C1 | C2 | C18 | C6 | 179.7° | 179.7° |
| C2 | C1 | N1 | H1N1 | 180.0° | 179.9° |
| C2 | C1 | N1 | H1N2 | 0.1° | 0.1° |
| C1 | C2 | C3 | H3 | 0.7° | 0.7° |
| C1 | C2 | C18 | H18 | 0.3° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C3 | C2 | C18 | C6 | 0.7° | 0.7° |
| C3 | C2 | C18 | H18 | 179.3° | 179.3° |
| C2 | C3 | C4 | HA | 179.9° | 179.9° |
| C18 | C2 | C3 | C4 | 0.3° | 0.3° |
| C2 | C18 | C6 | C5 | 1.0° | 1.0° |
| C2 | C18 | C6 | H18 | 180.0° | 180.0° |
| C18 | C2 | C3 | H3 | 179.7° | 179.7° |
| C3 | C4 | C5 | HA | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.4° |
| C3 | C4 | C5 | H5 | 179.6° | 179.6° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C18 | 0.8° | 0.8° |
| C5 | C4 | C3 | H3 | 179.9° | 179.9° |
| C5 | C6 | N2 | H2 | 7.8° | 7.8° |
| C5 | C6 | C18 | H18 | 179.0° | 179.0° |
| C6 | C5 | C4 | HA | 179.6° | 179.6° |
| C18 | C6 | N2 | H2 | 173.1° | 173.1° |
| C18 | C6 | C5 | H5 | 179.2° | 179.2° |
| H8 | C8 | C9 | H9 | 0.2° | 0.2° |
| H15 | C15 | C16 | H16 | 1.2° | 1.2° |
| H3 | C3 | C4 | HA | 0.1° | 0.1° |
| HA | C4 | C5 | H5 | 0.4° | 0.4° |
