Z1L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N | sing | 1.40Å | 1.40Å | |
| O | C | doub | 1.21Å | 1.31Å | |
| N | C1 | sing | 1.46Å | 1.46Å | |
| C | C1 | sing | 1.51Å | 1.53Å | |
| C | O1 | sing | 1.34Å | 1.22Å | |
| C1 | C3 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.49Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| O1 | H5 | sing | 0.97Å | 0.95Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 119.8° | 120.1° |
| C7 | C8 | C9 | 120.4° | 120.1° |
| C8 | C7 | H3 | 120.1° | 119.9° |
| C7 | C8 | H4 | 119.8° | 120.0° |
| C7 | C6 | C5 | 120.4° | 120.1° |
| C7 | C6 | H2 | 119.8° | 120.0° |
| C6 | C7 | H3 | 120.1° | 119.9° |
| C8 | C9 | C4 | 120.0° | 119.9° |
| C9 | C8 | H4 | 119.8° | 119.9° |
| C8 | C9 | H11 | 120.0° | 120.1° |
| C6 | C5 | C4 | 120.1° | 119.9° |
| C6 | C5 | H1 | 120.0° | 120.0° |
| C5 | C6 | H2 | 119.8° | 120.0° |
| C9 | C4 | C5 | 119.3° | 119.9° |
| C9 | C4 | N | 118.1° | 120.1° |
| C4 | C9 | H11 | 120.0° | 120.0° |
| C5 | C4 | N | 122.5° | 120.0° |
| C4 | C5 | H1 | 119.9° | 120.0° |
| C4 | N | C1 | 130.7° | 120.0° |
| C4 | N | H10 | 103.9° | 120.0° |
| O | C | C1 | 113.6° | 120.0° |
| O | C | O1 | 123.4° | 120.0° |
| N | C1 | C | 116.4° | 115.5° |
| N | C1 | C3 | 117.5° | 117.5° |
| N | C1 | C2 | 117.1° | 117.5° |
| C1 | N | H10 | 103.9° | 120.0° |
| C1 | C | O1 | 123.0° | 120.0° |
| C | C1 | C3 | 117.6° | 117.5° |
| C | C1 | C2 | 117.0° | 117.5° |
| C | O1 | H5 | 109.5° | 117.0° |
| C3 | C1 | C2 | 59.0° | 60.0° |
| C1 | C3 | C2 | 60.5° | 60.0° |
| C1 | C3 | H6 | 119.9° | 117.5° |
| C1 | C3 | H7 | 119.9° | 117.6° |
| C1 | C2 | C3 | 60.5° | 60.0° |
| C1 | C2 | H8 | 119.9° | 117.5° |
| C1 | C2 | H9 | 119.9° | 117.5° |
| C2 | C3 | H6 | 119.9° | 117.5° |
| C2 | C3 | H7 | 119.9° | 117.5° |
| C3 | C2 | H8 | 119.9° | 117.5° |
| C3 | C2 | H9 | 119.9° | 117.5° |
| H6 | C3 | H7 | 109.5° | 115.5° |
| H8 | C2 | H9 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | H3 | 180.0° | 179.6° |
| C7 | C8 | C9 | H4 | 180.0° | 179.8° |
| C8 | C7 | C6 | C5 | 0.4° | 0.1° |
| C7 | C8 | C9 | C4 | 0.3° | 0.5° |
| C8 | C7 | C6 | H2 | 179.6° | 180.0° |
| C7 | C8 | C9 | H11 | 179.7° | 180.0° |
| C6 | C7 | C8 | C9 | 0.5° | 0.3° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.5° | 0.1° |
| C7 | C6 | C5 | H1 | 179.5° | 179.9° |
| C6 | C7 | C8 | H4 | 179.5° | 180.0° |
| C8 | C9 | C4 | H11 | 180.0° | 179.6° |
| C8 | C9 | C4 | C5 | 1.2° | 0.4° |
| C8 | C9 | C4 | N | 177.0° | 179.8° |
| C9 | C8 | C7 | H3 | 179.4° | 179.9° |
| C6 | C5 | C4 | C9 | 1.3° | 0.2° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C6 | C5 | C4 | N | 176.8° | 180.0° |
| C5 | C6 | C7 | H3 | 179.6° | 179.7° |
| C9 | C4 | C5 | N | 178.1° | 179.7° |
| C9 | C4 | N | C1 | 175.4° | 5.6° |
| C9 | C4 | C5 | H1 | 178.7° | 179.8° |
| C4 | C9 | C8 | H4 | 179.7° | 179.8° |
| C9 | C4 | N | H10 | 52.6° | 174.3° |
| C5 | C4 | N | C1 | 2.8° | 174.1° |
| C4 | C5 | C6 | H2 | 179.5° | 180.0° |
| C5 | C4 | N | H10 | 125.5° | 6.0° |
| C5 | C4 | C9 | H11 | 178.8° | 180.0° |
| C4 | N | C1 | H10 | 122.7° | 179.9° |
| C4 | N | C1 | C | 82.0° | 65.7° |
| C4 | N | C1 | C3 | 65.4° | 79.9° |
| C4 | N | C1 | C2 | 132.7° | 148.6° |
| N | C4 | C5 | H1 | 3.2° | 0.0° |
| N | C4 | C9 | H11 | 3.0° | 0.3° |
| O | C | C1 | N | 83.6° | 169.5° |
| O | C | C1 | O1 | 179.8° | 180.0° |
| O | C | C1 | C3 | 63.8° | 23.8° |
| O | C | C1 | C2 | 131.1° | 44.8° |
| O | C | O1 | H5 | 0.0° | 0.0° |
| N | C1 | C | C3 | 147.3° | 145.7° |
| N | C1 | C | C2 | 145.3° | 145.7° |
| N | C1 | C | O1 | 96.7° | 10.4° |
| N | C1 | C3 | C2 | 106.6° | 107.5° |
| N | C1 | C3 | H6 | 143.8° | 145.0° |
| N | C1 | C3 | H7 | 3.0° | 0.0° |
| N | C1 | C2 | H8 | 2.2° | 0.0° |
| N | C1 | C2 | H9 | 143.0° | 145.0° |
| C | C1 | C3 | C2 | 106.5° | 107.5° |
| C1 | C | O1 | H5 | 179.7° | 180.0° |
| C | C1 | C3 | H6 | 3.1° | 0.0° |
| C | C1 | C3 | H7 | 144.0° | 145.0° |
| C | C1 | C2 | H8 | 142.8° | 145.0° |
| C | C1 | C2 | H9 | 2.0° | 0.0° |
| C | C1 | N | H10 | 155.3° | 114.4° |
| O1 | C | C1 | C3 | 116.0° | 156.1° |
| O1 | C | C1 | C2 | 48.6° | 135.2° |
| C1 | C3 | C2 | H6 | 109.6° | 107.5° |
| C1 | C3 | C2 | H7 | 109.6° | 107.6° |
| C1 | C3 | H6 | H7 | 144.5° | 145.7° |
| C3 | C1 | C2 | H8 | 109.6° | 107.5° |
| C3 | C1 | C2 | H9 | 109.6° | 107.5° |
| C3 | C1 | N | H10 | 57.3° | 99.9° |
| C1 | C2 | H8 | H9 | 144.5° | 145.7° |
| C2 | C1 | N | H10 | 10.0° | 31.3° |
| C2 | C3 | H6 | H7 | 144.5° | 145.6° |
| C3 | C2 | H8 | H9 | 144.5° | 145.7° |
| H1 | C5 | C6 | H2 | 0.5° | 0.0° |
| H2 | C6 | C7 | H3 | 0.4° | 0.3° |
| H3 | C7 | C8 | H4 | 0.6° | 0.3° |
| H4 | C8 | C9 | H11 | 0.2° | 0.2° |
| H6 | C3 | C2 | H8 | 140.8° | 145.0° |
| H6 | C3 | C2 | H9 | 0.0° | 0.1° |
| H7 | C3 | C2 | H8 | 0.0° | 0.0° |
| H7 | C3 | C2 | H9 | 140.8° | 145.0° |
