GJZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C2 | C4 | sing | 1.53Å | 1.50Å | |
| C2 | C5 | sing | 1.51Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C3 | C2 | 113.2° | 117.6° |
| N1 | C3 | C4 | 131.3° | 117.5° |
| C3 | N1 | HN1 | 109.5° | 111.0° |
| C3 | N1 | HN1A | 109.5° | 111.0° |
| N1 | C3 | H3 | 87.7° | 115.5° |
| C3 | C2 | C4 | 59.9° | 60.0° |
| C3 | C2 | C5 | 130.8° | 117.5° |
| C2 | C3 | C4 | 60.5° | 60.0° |
| C3 | C2 | H2 | 133.2° | 117.5° |
| C2 | C3 | H3 | 143.3° | 117.5° |
| C4 | C2 | C5 | 125.6° | 117.5° |
| C2 | C4 | C3 | 59.6° | 60.0° |
| C4 | C2 | H2 | 138.0° | 117.5° |
| C2 | C4 | H4 | 131.1° | 117.5° |
| C2 | C4 | H4A | 131.1° | 117.5° |
| C2 | C5 | C6 | 124.4° | 120.0° |
| C2 | C5 | C7 | 116.5° | 120.0° |
| C5 | C2 | H2 | 79.1° | 115.6° |
| C4 | C3 | H3 | 127.5° | 117.5° |
| C3 | C4 | H4 | 131.1° | 117.5° |
| C3 | C4 | H4A | 131.1° | 117.5° |
| C6 | C5 | C7 | 118.8° | 120.0° |
| C5 | C6 | C8 | 120.4° | 120.0° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| C5 | C7 | C9 | 121.2° | 120.0° |
| C5 | C7 | H7 | 119.4° | 120.0° |
| C6 | C8 | C10 | 120.7° | 120.0° |
| C8 | C6 | H6 | 119.8° | 120.0° |
| C6 | C8 | H8 | 119.7° | 120.0° |
| C7 | C9 | C10 | 120.4° | 120.0° |
| C9 | C7 | H7 | 119.4° | 120.0° |
| C7 | C9 | H9 | 119.8° | 120.0° |
| C8 | C10 | C9 | 118.5° | 120.0° |
| C10 | C8 | H8 | 119.7° | 120.0° |
| C8 | C10 | H10 | 120.8° | 120.0° |
| C10 | C9 | H9 | 119.8° | 120.0° |
| C9 | C10 | H10 | 120.8° | 120.0° |
| HN1 | N1 | HN1A | 109.5° | 111.0° |
| H4 | C4 | H4A | 81.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C3 | C2 | C4 | 125.6° | 107.5° |
| N1 | C3 | C2 | H3 | 120.2° | 145.0° |
| N1 | C3 | C2 | C5 | 121.6° | 145.0° |
| N1 | C3 | C4 | H3 | 127.3° | 144.9° |
| C3 | N1 | HN1 | HN1A | 120.0° | 124.0° |
| N1 | C3 | C2 | H2 | 3.8° | 0.0° |
| N1 | C3 | C4 | H4 | 143.9° | 145.0° |
| N1 | C3 | C4 | H4A | 23.9° | 0.1° |
| C3 | C2 | C4 | C5 | 120.9° | 107.5° |
| C3 | C2 | C4 | H2 | 122.6° | 107.5° |
| C3 | C2 | C5 | H2 | 139.0° | 145.7° |
| C2 | C3 | C4 | H3 | 136.6° | 107.5° |
| C3 | C2 | C5 | C6 | 8.0° | 120.0° |
| C3 | C2 | C5 | C7 | 177.5° | 60.3° |
| C2 | C3 | N1 | HN1 | 180.0° | 180.0° |
| C2 | C3 | N1 | HN1A | 60.0° | 56.0° |
| C3 | C2 | C4 | H4 | 120.0° | 107.5° |
| C3 | C2 | C4 | H4A | 120.0° | 107.5° |
| C4 | C2 | C5 | H2 | 142.4° | 145.7° |
| C4 | C2 | C5 | C6 | 86.6° | 171.4° |
| C4 | C2 | C5 | C7 | 98.9° | 8.3° |
| C2 | C4 | H4 | H4A | 138.7° | 145.7° |
| C2 | C5 | C6 | C7 | 174.3° | 179.7° |
| C2 | C5 | C6 | C8 | 177.1° | 180.0° |
| C2 | C5 | C7 | C9 | 177.1° | 180.0° |
| C5 | C2 | C3 | H3 | 1.4° | 0.0° |
| C5 | C2 | C4 | H4 | 1.0° | 0.0° |
| C5 | C2 | C4 | H4A | 119.0° | 145.0° |
| C2 | C5 | C6 | H6 | 2.9° | 0.0° |
| C2 | C5 | C7 | H7 | 2.9° | 0.1° |
| C4 | C3 | N1 | HN1 | 109.7° | 111.3° |
| C4 | C3 | N1 | HN1A | 10.3° | 12.7° |
| C3 | C4 | H4 | H4A | 138.7° | 145.7° |
| C5 | C6 | C8 | H6 | 180.0° | 180.0° |
| C6 | C5 | C7 | C9 | 2.3° | 0.3° |
| C5 | C6 | C8 | C10 | 1.6° | 0.1° |
| C6 | C5 | C2 | H2 | 131.0° | 25.7° |
| C6 | C5 | C7 | H7 | 177.7° | 179.8° |
| C5 | C6 | C8 | H8 | 178.4° | 179.9° |
| C7 | C5 | C6 | C8 | 2.7° | 0.3° |
| C5 | C7 | C9 | H7 | 180.0° | 179.9° |
| C5 | C7 | C9 | C10 | 0.7° | 0.1° |
| C7 | C5 | C2 | H2 | 43.5° | 154.0° |
| C7 | C5 | C6 | H6 | 177.3° | 179.7° |
| C5 | C7 | C9 | H9 | 179.4° | 180.0° |
| C6 | C8 | C10 | H8 | 180.0° | 180.0° |
| C6 | C8 | C10 | C9 | 0.0° | 0.2° |
| C6 | C8 | C10 | H10 | 180.0° | 180.0° |
| C7 | C9 | C10 | C8 | 0.5° | 0.2° |
| C7 | C9 | C10 | H9 | 180.0° | 179.9° |
| C7 | C9 | C10 | H10 | 179.5° | 180.0° |
| C8 | C10 | C9 | H10 | 180.0° | 179.8° |
| C10 | C8 | C6 | H6 | 178.4° | 180.0° |
| C8 | C10 | C9 | H9 | 179.5° | 179.7° |
| C10 | C9 | C7 | H7 | 179.3° | 180.0° |
| C9 | C10 | C8 | H8 | 180.0° | 179.8° |
| HN1 | N1 | C3 | H3 | 31.1° | 34.3° |
| HN1A | N1 | C3 | H3 | 151.1° | 158.3° |
| H2 | C2 | C3 | H3 | 116.4° | 145.0° |
| H2 | C2 | C4 | H4 | 117.4° | 145.0° |
| H2 | C2 | C4 | H4A | 2.6° | 0.0° |
| H3 | C3 | C4 | H4 | 16.6° | 0.1° |
| H3 | C3 | C4 | H4A | 103.4° | 145.0° |
| H6 | C6 | C8 | H8 | 1.6° | 0.0° |
| H7 | C7 | C9 | H9 | 0.6° | 0.1° |
| H8 | C8 | C10 | H10 | 0.0° | 0.0° |
| H9 | C9 | C10 | H10 | 0.5° | 0.1° |
