O0L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | N3 | sing | 1.41Å | 1.33Å | Aromatic |
| N2 | N1 | doub | 1.29Å | 1.31Å | Aromatic |
| N3 | C13 | sing | 1.36Å | 1.33Å | Aromatic |
| N1 | N | sing | 1.28Å | 1.33Å | Aromatic |
| O | C | sing | 1.36Å | 1.34Å | |
| C13 | N | doub | 1.32Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.45Å | |
| C | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C | C1 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.36Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.48Å | |
| C4 | C3 | doub | 1.39Å | 1.44Å | Aromatic |
| C5 | C11 | doub | 1.39Å | 1.44Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | O1 | sing | 1.43Å | 1.43Å | |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | N2 | N1 | 109.2° | 106.9° |
| N2 | N3 | C13 | 107.3° | 105.1° |
| N2 | N3 | H12 | 126.4° | 127.5° |
| N2 | N1 | N | 109.8° | 110.5° |
| N3 | C13 | N | 108.4° | 106.9° |
| N3 | C13 | C12 | 125.1° | 126.5° |
| C13 | N3 | H12 | 126.3° | 127.4° |
| N1 | N | C13 | 105.3° | 110.5° |
| O | C | C12 | 118.4° | 120.1° |
| O | C | C1 | 120.2° | 120.1° |
| C | O | H11 | 109.5° | 114.0° |
| N | C13 | C12 | 126.5° | 126.6° |
| C13 | C12 | C | 120.1° | 120.3° |
| C13 | C12 | C4 | 120.1° | 120.2° |
| C12 | C | C1 | 121.4° | 119.8° |
| C | C12 | C4 | 119.7° | 119.5° |
| C | C1 | C2 | 118.6° | 120.4° |
| C | C1 | H1 | 120.7° | 119.8° |
| C12 | C4 | C5 | 122.2° | 120.2° |
| C12 | C4 | C3 | 118.7° | 119.6° |
| C7 | C6 | C5 | 120.9° | 119.9° |
| C6 | C7 | C8 | 122.6° | 120.1° |
| C7 | C6 | H4 | 119.5° | 120.0° |
| C6 | C7 | H5 | 118.7° | 119.9° |
| C6 | C5 | C4 | 123.0° | 120.1° |
| C6 | C5 | C11 | 117.6° | 119.8° |
| C5 | C6 | H4 | 119.6° | 120.1° |
| C7 | C8 | C9 | 120.3° | 119.8° |
| C7 | C8 | C10 | 117.8° | 120.3° |
| C8 | C7 | H5 | 118.7° | 120.0° |
| C1 | C2 | C3 | 121.1° | 120.4° |
| C2 | C1 | H1 | 120.7° | 119.8° |
| C1 | C2 | H2 | 119.4° | 119.8° |
| C5 | C4 | C3 | 118.8° | 120.2° |
| C4 | C5 | C11 | 119.3° | 120.1° |
| C4 | C3 | C2 | 120.4° | 120.2° |
| C4 | C3 | H3 | 119.8° | 119.9° |
| C5 | C11 | C10 | 120.2° | 119.8° |
| C5 | C11 | H9 | 119.9° | 120.1° |
| C3 | C2 | H2 | 119.4° | 119.7° |
| C2 | C3 | H3 | 119.8° | 119.9° |
| C9 | C8 | C10 | 121.9° | 119.9° |
| C8 | C9 | O1 | 108.7° | 109.4° |
| C8 | C9 | H6 | 109.7° | 109.5° |
| C8 | C9 | H7 | 109.7° | 109.5° |
| C8 | C10 | C11 | 120.8° | 120.2° |
| C8 | C10 | H8 | 119.6° | 119.9° |
| O1 | C9 | H6 | 109.7° | 109.4° |
| O1 | C9 | H7 | 109.6° | 109.5° |
| C9 | O1 | H10 | 109.5° | 113.9° |
| C11 | C10 | H8 | 119.6° | 119.9° |
| C10 | C11 | H9 | 119.9° | 120.1° |
| H6 | C9 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | N3 | C13 | H12 | 180.0° | 180.0° |
| N3 | N2 | N1 | N | 0.9° | 0.0° |
| N2 | N3 | C13 | N | 1.2° | 0.0° |
| N2 | N3 | C13 | C12 | 177.5° | 179.7° |
| N1 | N2 | N3 | C13 | 1.3° | 0.0° |
| N2 | N1 | N | C13 | 0.2° | 0.0° |
| N1 | N2 | N3 | H12 | 178.7° | 179.9° |
| N3 | C13 | N | N1 | 0.6° | 0.0° |
| N3 | C13 | N | C12 | 178.7° | 179.8° |
| N3 | C13 | C12 | C | 71.8° | 0.5° |
| N3 | C13 | C12 | C4 | 111.4° | 179.7° |
| N1 | N | C13 | C12 | 178.0° | 179.8° |
| O | C | C12 | C13 | 1.5° | 0.3° |
| O | C | C12 | C1 | 178.9° | 179.5° |
| O | C | C12 | C4 | 178.3° | 180.0° |
| O | C | C1 | C2 | 179.1° | 180.0° |
| O | C | C1 | H1 | 0.8° | 0.3° |
| N | C13 | C12 | C | 109.8° | 179.8° |
| N | C13 | C12 | C4 | 67.0° | 0.0° |
| N | C13 | N3 | H12 | 178.8° | 180.0° |
| C13 | C12 | C | C4 | 176.8° | 179.7° |
| C13 | C12 | C | C1 | 179.6° | 179.8° |
| C13 | C12 | C4 | C5 | 3.5° | 0.0° |
| C13 | C12 | C4 | C3 | 178.2° | 180.0° |
| C12 | C13 | N3 | H12 | 2.5° | 0.3° |
| C12 | C | C1 | C2 | 2.0° | 0.5° |
| C | C12 | C4 | C5 | 173.3° | 179.8° |
| C | C12 | C4 | C3 | 1.4° | 0.3° |
| C12 | C | C1 | H1 | 178.1° | 179.8° |
| C12 | C | O | H11 | 180.0° | 90.0° |
| C1 | C | C12 | C4 | 2.8° | 0.5° |
| C | C1 | C2 | H1 | 180.0° | 179.8° |
| C | C1 | C2 | C3 | 0.2° | 0.2° |
| C | C1 | C2 | H2 | 179.8° | 179.8° |
| C1 | C | O | H11 | 1.1° | 90.5° |
| C12 | C4 | C5 | C6 | 59.7° | 49.7° |
| C12 | C4 | C5 | C3 | 174.7° | 179.9° |
| C12 | C4 | C5 | C11 | 116.5° | 130.0° |
| C12 | C4 | C3 | C2 | 0.7° | 0.1° |
| C12 | C4 | C3 | H3 | 179.3° | 180.0° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C6 | C7 | C8 | H5 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 179.2° | 180.0° |
| C7 | C6 | C5 | C11 | 3.0° | 0.2° |
| C6 | C7 | C8 | C9 | 179.9° | 179.9° |
| C6 | C7 | C8 | C10 | 0.6° | 0.0° |
| C5 | C6 | C7 | C8 | 2.3° | 0.0° |
| C6 | C5 | C4 | C11 | 176.1° | 179.7° |
| C6 | C5 | C4 | C3 | 125.6° | 130.3° |
| C6 | C5 | C11 | C10 | 1.0° | 0.5° |
| C5 | C6 | C7 | H5 | 177.7° | 179.9° |
| C6 | C5 | C11 | H9 | 179.0° | 179.8° |
| C7 | C8 | C9 | C10 | 179.3° | 180.0° |
| C7 | C8 | C9 | O1 | 129.8° | 90.1° |
| C7 | C8 | C10 | C11 | 2.5° | 0.2° |
| C8 | C7 | C6 | H4 | 177.8° | 180.0° |
| C7 | C8 | C9 | H6 | 9.9° | 150.0° |
| C7 | C8 | C9 | H7 | 110.3° | 30.0° |
| C7 | C8 | C10 | H8 | 177.4° | 180.0° |
| C1 | C2 | C3 | C4 | 1.5° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | H3 | 178.5° | 180.0° |
| C5 | C4 | C3 | C2 | 175.6° | 180.0° |
| C4 | C5 | C11 | C10 | 177.4° | 179.8° |
| C5 | C4 | C3 | H3 | 4.4° | 0.0° |
| C4 | C5 | C6 | H4 | 0.8° | 0.1° |
| C4 | C5 | C11 | H9 | 2.6° | 0.0° |
| C3 | C4 | C5 | C11 | 58.2° | 50.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 178.5° | 180.0° |
| C5 | C11 | C10 | C8 | 1.8° | 0.5° |
| C5 | C11 | C10 | H9 | 180.0° | 179.8° |
| C11 | C5 | C6 | H4 | 177.0° | 179.8° |
| C5 | C11 | C10 | H8 | 178.2° | 179.8° |
| C3 | C2 | C1 | H1 | 179.8° | 180.0° |
| C8 | C9 | O1 | H6 | 119.9° | 120.0° |
| C8 | C9 | O1 | H7 | 119.9° | 120.0° |
| C9 | C8 | C10 | C11 | 178.2° | 179.8° |
| C9 | C8 | C7 | H5 | 0.1° | 0.0° |
| C8 | C9 | H6 | H7 | 120.3° | 120.1° |
| C9 | C8 | C10 | H8 | 1.9° | 0.0° |
| C8 | C9 | O1 | H10 | 180.0° | 180.0° |
| C10 | C8 | C9 | O1 | 49.5° | 90.0° |
| C8 | C10 | C11 | H8 | 180.0° | 179.8° |
| C10 | C8 | C7 | H5 | 179.4° | 179.9° |
| C10 | C8 | C9 | H6 | 169.4° | 29.9° |
| C10 | C8 | C9 | H7 | 70.4° | 150.0° |
| C8 | C10 | C11 | H9 | 178.2° | 179.8° |
| O1 | C9 | H6 | H7 | 120.3° | 120.0° |
| H1 | C1 | C2 | H2 | 0.2° | 0.1° |
| H2 | C2 | C3 | H3 | 1.5° | 0.1° |
| H4 | C6 | C7 | H5 | 2.2° | 0.0° |
| H6 | C9 | O1 | H10 | 60.1° | 60.0° |
| H7 | C9 | O1 | H10 | 60.1° | 60.0° |
| H8 | C10 | C11 | H9 | 1.8° | 0.0° |
