Z5P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.36Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.36Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.36Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | C3 | doub | 1.35Å | 1.39Å | Aromatic |
| C1 | N5 | doub | 1.31Å | 1.35Å | Aromatic |
| C3 | N4 | sing | 1.35Å | 1.37Å | Aromatic |
| C11 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.49Å | |
| C6 | N4 | sing | 1.40Å | 1.44Å | |
| C12 | N13 | sing | 1.47Å | 1.48Å | |
| N5 | N4 | sing | 1.40Å | 1.37Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| N13 | H131 | sing | 1.01Å | 1.00Å | |
| N13 | H132 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C10 | 118.2° | 120.1° |
| C9 | C8 | C7 | 121.0° | 120.1° |
| C8 | C9 | H9 | 120.9° | 119.9° |
| C9 | C8 | H8 | 119.5° | 120.0° |
| C9 | C10 | C11 | 121.7° | 120.1° |
| C10 | C9 | H9 | 120.9° | 119.9° |
| C9 | C10 | H10 | 119.1° | 119.9° |
| C8 | C7 | C6 | 121.4° | 119.9° |
| C7 | C8 | H8 | 119.5° | 119.9° |
| C8 | C7 | H7 | 119.3° | 120.0° |
| C10 | C11 | C6 | 120.3° | 119.9° |
| C10 | C11 | C12 | 112.1° | 120.0° |
| C11 | C10 | H10 | 119.2° | 120.0° |
| C7 | C6 | C11 | 117.3° | 119.8° |
| C7 | C6 | N4 | 113.0° | 120.1° |
| C6 | C7 | H7 | 119.3° | 120.0° |
| C1 | C2 | C3 | 105.6° | 107.9° |
| C2 | C1 | N5 | 109.3° | 108.3° |
| C1 | C2 | H2 | 127.2° | 126.1° |
| C2 | C1 | H1 | 125.4° | 125.9° |
| C2 | C3 | N4 | 107.8° | 107.7° |
| C3 | C2 | H2 | 127.2° | 126.0° |
| C2 | C3 | H3 | 126.1° | 126.2° |
| C1 | N5 | N4 | 107.6° | 108.2° |
| N5 | C1 | H1 | 125.4° | 125.8° |
| C3 | N4 | C6 | 131.5° | 126.0° |
| C3 | N4 | N5 | 109.7° | 107.9° |
| N4 | C3 | H3 | 126.1° | 126.1° |
| C6 | C11 | C12 | 127.5° | 120.0° |
| C11 | C6 | N4 | 129.7° | 120.1° |
| C11 | C12 | N13 | 107.1° | 109.5° |
| C11 | C12 | H121 | 110.0° | 109.5° |
| C11 | C12 | H122 | 110.0° | 109.5° |
| C6 | N4 | N5 | 118.2° | 126.1° |
| N13 | C12 | H121 | 110.1° | 109.4° |
| N13 | C12 | H122 | 110.1° | 109.5° |
| C12 | N13 | H131 | 109.5° | 111.0° |
| C12 | N13 | H132 | 109.5° | 111.0° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H131 | N13 | H132 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C8 | C9 | C10 | H10 | 179.8° | 179.7° |
| C9 | C8 | C7 | H7 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.6° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C9 | C10 | C11 | C6 | 0.7° | 0.0° |
| C9 | C10 | C11 | C12 | 177.6° | 179.8° |
| C10 | C9 | C8 | H8 | 179.4° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C8 | C7 | C6 | C11 | 0.8° | 0.0° |
| C8 | C7 | C6 | N4 | 177.1° | 180.0° |
| C7 | C8 | C9 | H9 | 179.5° | 180.0° |
| C10 | C11 | C6 | C7 | 1.2° | 0.0° |
| C10 | C11 | C6 | C12 | 176.4° | 179.8° |
| C10 | C11 | C6 | N4 | 176.3° | 180.0° |
| C10 | C11 | C12 | N13 | 157.3° | 100.0° |
| C11 | C10 | C9 | H9 | 179.8° | 180.0° |
| C10 | C11 | C12 | H121 | 37.6° | 140.0° |
| C10 | C11 | C12 | H122 | 83.1° | 20.0° |
| C7 | C6 | N4 | C3 | 178.2° | 0.0° |
| C7 | C6 | C11 | N4 | 177.5° | 180.0° |
| C7 | C6 | C11 | C12 | 177.6° | 179.7° |
| C7 | C6 | N4 | N5 | 8.7° | 179.7° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.7° |
| C2 | C1 | N5 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | N4 | 1.4° | 0.0° |
| C2 | C1 | N5 | N4 | 0.2° | 0.4° |
| C1 | C2 | C3 | H3 | 178.6° | 180.0° |
| C3 | C2 | C1 | N5 | 1.1° | 0.3° |
| C2 | C3 | N4 | H3 | 180.0° | 180.0° |
| C2 | C3 | N4 | C6 | 168.9° | 180.0° |
| C2 | C3 | N4 | N5 | 1.4° | 0.2° |
| C3 | C2 | C1 | H1 | 178.9° | 180.0° |
| C1 | N5 | N4 | C3 | 0.7° | 0.4° |
| C1 | N5 | N4 | C6 | 171.0° | 179.9° |
| N5 | C1 | C2 | H2 | 178.9° | 180.0° |
| C3 | N4 | C6 | C11 | 4.2° | 180.0° |
| C3 | N4 | C6 | N5 | 169.6° | 179.7° |
| N4 | C3 | C2 | H2 | 178.6° | 179.7° |
| C6 | C11 | C12 | N13 | 19.4° | 79.7° |
| C11 | C6 | N4 | N5 | 173.8° | 0.3° |
| C6 | C11 | C10 | H10 | 179.3° | 179.7° |
| C11 | C6 | C7 | H7 | 179.2° | 180.0° |
| C6 | C11 | C12 | H121 | 139.1° | 40.2° |
| C6 | C11 | C12 | H122 | 100.2° | 160.3° |
| C12 | C11 | C6 | N4 | 0.1° | 0.3° |
| C11 | C12 | N13 | H121 | 119.6° | 120.0° |
| C11 | C12 | N13 | H122 | 119.6° | 120.0° |
| C12 | C11 | C10 | H10 | 2.4° | 0.0° |
| C11 | C12 | H121 | H122 | 121.0° | 120.0° |
| C11 | C12 | N13 | H131 | 180.0° | 180.0° |
| C11 | C12 | N13 | H132 | 60.0° | 56.0° |
| N4 | C6 | C7 | H7 | 3.0° | 0.0° |
| C6 | N4 | C3 | H3 | 11.1° | 0.0° |
| N13 | C12 | H121 | H122 | 121.1° | 120.0° |
| C12 | N13 | H131 | H132 | 120.0° | 124.0° |
| N4 | N5 | C1 | H1 | 179.8° | 179.8° |
| N5 | N4 | C3 | H3 | 178.7° | 179.8° |
| H9 | C9 | C8 | H8 | 0.5° | 0.0° |
| H9 | C9 | C10 | H10 | 0.2° | 0.3° |
| H8 | C8 | C7 | H7 | 0.0° | 0.0° |
| H2 | C2 | C1 | H1 | 1.1° | 0.2° |
| H2 | C2 | C3 | H3 | 1.4° | 0.3° |
| H121 | C12 | N13 | H131 | 60.4° | 60.0° |
| H121 | C12 | N13 | H132 | 179.6° | 64.0° |
| H122 | C12 | N13 | H131 | 60.4° | 60.0° |
| H122 | C12 | N13 | H132 | 59.6° | 176.0° |
