OGV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | N1 | sing | 1.29Å | 1.40Å | Aromatic |
| N2 | C8 | doub | 1.32Å | 1.33Å | Aromatic |
| C9 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.37Å | Aromatic |
| N1 | C7 | doub | 1.31Å | 1.32Å | Aromatic |
| C8 | N3 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C7 | N3 | sing | 1.36Å | 1.38Å | Aromatic |
| C7 | N | sing | 1.39Å | 1.37Å | |
| N3 | C12 | sing | 1.37Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.35Å | 1.35Å | Aromatic |
| N | C6 | sing | 1.35Å | 1.36Å | |
| O | C6 | doub | 1.21Å | 1.23Å | |
| CL | C | sing | 1.74Å | 1.74Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C13 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | N2 | C8 | 107.3° | 109.6° |
| N2 | N1 | C7 | 107.2° | 110.3° |
| N2 | C8 | C9 | 131.7° | 133.5° |
| N2 | C8 | N3 | 110.4° | 106.9° |
| C8 | C9 | C10 | 119.4° | 119.2° |
| C9 | C8 | N3 | 117.9° | 119.6° |
| C8 | C9 | H11 | 120.3° | 120.4° |
| C9 | C10 | C11 | 120.9° | 119.8° |
| C9 | C10 | H3 | 119.6° | 120.1° |
| C10 | C9 | H11 | 120.3° | 120.4° |
| N1 | C7 | N3 | 111.1° | 107.4° |
| N1 | C7 | N | 129.1° | 126.3° |
| C8 | N3 | C7 | 104.0° | 105.8° |
| C8 | N3 | C12 | 122.3° | 120.4° |
| C10 | C11 | C12 | 120.1° | 120.4° |
| C11 | C10 | H3 | 119.6° | 120.1° |
| C10 | C11 | H10 | 120.0° | 119.8° |
| N3 | C7 | N | 119.8° | 126.3° |
| C7 | N3 | C12 | 133.7° | 133.8° |
| C7 | N | C6 | 124.1° | 120.0° |
| C7 | N | H8 | 117.9° | 119.9° |
| N3 | C12 | C11 | 119.4° | 120.5° |
| N3 | C12 | H9 | 120.3° | 119.7° |
| C11 | C12 | H9 | 120.3° | 119.7° |
| C12 | C11 | H10 | 120.0° | 119.8° |
| N | C6 | O | 122.6° | 120.0° |
| N | C6 | C5 | 114.9° | 120.0° |
| C6 | N | H8 | 118.0° | 120.0° |
| O | C6 | C5 | 122.4° | 120.0° |
| CL | C | C13 | 118.8° | 120.1° |
| CL | C | C1 | 119.4° | 120.0° |
| C6 | C5 | C4 | 109.7° | 109.5° |
| C6 | C5 | H1 | 109.4° | 109.5° |
| C6 | C5 | H2 | 109.4° | 109.4° |
| C | C13 | C4 | 119.7° | 120.0° |
| C13 | C | C1 | 121.8° | 119.9° |
| C | C13 | H4 | 120.2° | 120.0° |
| C13 | C4 | C5 | 119.9° | 120.0° |
| C13 | C4 | C3 | 118.9° | 120.0° |
| C4 | C13 | H4 | 120.1° | 120.0° |
| C | C1 | C2 | 118.5° | 120.0° |
| C | C1 | H7 | 120.8° | 120.0° |
| C5 | C4 | C3 | 120.9° | 120.0° |
| C4 | C5 | H1 | 109.4° | 109.5° |
| C4 | C5 | H2 | 109.4° | 109.5° |
| C4 | C3 | C2 | 120.8° | 120.0° |
| C4 | C3 | H5 | 119.6° | 120.0° |
| C1 | C2 | C3 | 120.3° | 120.0° |
| C1 | C2 | H6 | 119.9° | 120.0° |
| C2 | C1 | H7 | 120.7° | 120.0° |
| C2 | C3 | H5 | 119.6° | 120.0° |
| C3 | C2 | H6 | 119.9° | 120.0° |
| H1 | C5 | H2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | N2 | C8 | C9 | 179.2° | 180.0° |
| N1 | N2 | C8 | N3 | 0.0° | 0.1° |
| N2 | N1 | C7 | N3 | 0.1° | 0.0° |
| N2 | N1 | C7 | N | 177.6° | 179.9° |
| N2 | C8 | C9 | N3 | 179.2° | 179.9° |
| N2 | C8 | C9 | C10 | 179.3° | 179.9° |
| C8 | N2 | N1 | C7 | 0.0° | 0.0° |
| N2 | C8 | N3 | C7 | 0.1° | 0.1° |
| N2 | C8 | N3 | C12 | 179.2° | 179.9° |
| N2 | C8 | C9 | H11 | 0.7° | 0.1° |
| C8 | C9 | C10 | H11 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C9 | C8 | N3 | C7 | 179.4° | 180.0° |
| C9 | C8 | N3 | C12 | 0.1° | 0.0° |
| C8 | C9 | C10 | H3 | 179.8° | 179.9° |
| C10 | C9 | C8 | N3 | 0.1° | 0.0° |
| C9 | C10 | C11 | H3 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.2° | 0.0° |
| C9 | C10 | C11 | H10 | 179.8° | 180.0° |
| N1 | C7 | N3 | C8 | 0.1° | 0.1° |
| N1 | C7 | N3 | N | 177.8° | 179.9° |
| N1 | C7 | N3 | C12 | 179.1° | 180.0° |
| N1 | C7 | N | C6 | 88.9° | 0.1° |
| N1 | C7 | N | H8 | 91.1° | 180.0° |
| C8 | N3 | C7 | C12 | 179.2° | 180.0° |
| C8 | N3 | C7 | N | 177.8° | 180.0° |
| C8 | N3 | C12 | C11 | 0.2° | 0.0° |
| C8 | N3 | C12 | H9 | 179.8° | 180.0° |
| N3 | C8 | C9 | H11 | 179.9° | 180.0° |
| C10 | C11 | C12 | N3 | 0.0° | 0.0° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C11 | C10 | C9 | H11 | 179.8° | 180.0° |
| C7 | N3 | C12 | C11 | 179.2° | 180.0° |
| N3 | C7 | N | C6 | 88.4° | 180.0° |
| N3 | C7 | N | H8 | 91.6° | 0.2° |
| C7 | N3 | C12 | H9 | 0.8° | 0.0° |
| N | C7 | N3 | C12 | 1.3° | 0.0° |
| C7 | N | C6 | H8 | 180.0° | 179.9° |
| C7 | N | C6 | O | 6.6° | 0.0° |
| C7 | N | C6 | C5 | 176.4° | 179.9° |
| N3 | C12 | C11 | H9 | 180.0° | 179.9° |
| N3 | C12 | C11 | H10 | 179.9° | 180.0° |
| C12 | C11 | C10 | H3 | 179.8° | 179.9° |
| N | C6 | O | C5 | 176.8° | 179.9° |
| N | C6 | C5 | C4 | 143.2° | 180.0° |
| N | C6 | C5 | H1 | 96.8° | 60.0° |
| N | C6 | C5 | H2 | 23.1° | 60.0° |
| O | C6 | C5 | C4 | 33.9° | 0.1° |
| O | C6 | C5 | H1 | 86.2° | 120.0° |
| O | C6 | C5 | H2 | 153.9° | 120.1° |
| O | C6 | N | H8 | 173.4° | 179.9° |
| CL | C | C13 | C1 | 179.3° | 179.6° |
| CL | C | C13 | C4 | 179.6° | 180.0° |
| CL | C | C1 | C2 | 178.0° | 179.8° |
| CL | C | C13 | H4 | 0.4° | 0.0° |
| CL | C | C1 | H7 | 2.0° | 0.2° |
| C6 | C5 | C4 | C13 | 76.7° | 89.8° |
| C6 | C5 | C4 | H1 | 120.0° | 120.0° |
| C6 | C5 | C4 | H2 | 120.0° | 120.0° |
| C6 | C5 | C4 | C3 | 97.0° | 90.0° |
| C6 | C5 | H1 | H2 | 119.9° | 119.9° |
| C5 | C6 | N | H8 | 3.6° | 0.0° |
| C | C13 | C4 | H4 | 180.0° | 180.0° |
| C | C13 | C4 | C5 | 171.9° | 179.7° |
| C | C13 | C4 | C3 | 2.0° | 0.0° |
| C13 | C | C1 | C2 | 1.4° | 0.7° |
| C13 | C | C1 | H7 | 178.6° | 179.8° |
| C4 | C13 | C | C1 | 0.3° | 0.5° |
| C13 | C4 | C5 | C3 | 173.7° | 179.8° |
| C13 | C4 | C3 | C2 | 2.1° | 0.2° |
| C13 | C4 | C5 | H1 | 163.3° | 30.3° |
| C13 | C4 | C5 | H2 | 43.4° | 150.3° |
| C13 | C4 | C3 | H5 | 177.9° | 179.7° |
| C | C1 | C2 | H7 | 180.0° | 179.6° |
| C | C1 | C2 | C3 | 1.3° | 0.4° |
| C1 | C | C13 | H4 | 179.7° | 179.6° |
| C | C1 | C2 | H6 | 178.7° | 179.5° |
| C5 | C4 | C3 | C2 | 171.7° | 179.9° |
| C4 | C5 | H1 | H2 | 119.9° | 120.0° |
| C5 | C4 | C13 | H4 | 8.1° | 0.2° |
| C5 | C4 | C3 | H5 | 8.3° | 0.0° |
| C4 | C3 | C2 | C1 | 0.4° | 0.0° |
| C4 | C3 | C2 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | H1 | 23.0° | 150.0° |
| C3 | C4 | C5 | H2 | 142.9° | 30.0° |
| C3 | C4 | C13 | H4 | 178.0° | 180.0° |
| C4 | C3 | C2 | H6 | 179.6° | 179.9° |
| C1 | C2 | C3 | H6 | 180.0° | 179.9° |
| C1 | C2 | C3 | H5 | 179.6° | 179.9° |
| C3 | C2 | C1 | H7 | 178.7° | 180.0° |
| H3 | C10 | C11 | H10 | 0.1° | 0.1° |
| H3 | C10 | C9 | H11 | 0.2° | 0.1° |
| H5 | C3 | C2 | H6 | 0.4° | 0.0° |
| H6 | C2 | C1 | H7 | 1.3° | 0.1° |
| H9 | C12 | C11 | H10 | 0.1° | 0.0° |
