ZA2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C5 | doub | 1.21Å | 1.22Å | |
| C5 | N4 | sing | 1.35Å | 1.38Å | |
| C5 | C7 | sing | 1.48Å | 1.54Å | |
| N4 | C3 | sing | 1.47Å | 1.47Å | |
| C3 | B | sing | 1.60Å | 1.57Å | |
| B | O2 | sing | 1.37Å | 1.55Å | |
| B | O1 | sing | 1.37Å | 1.55Å | |
| B | O3 | sing | 1.37Å | 1.54Å | |
| C7 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | CL | sing | 1.74Å | 1.76Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C5 | N4 | 123.0° | 120.0° |
| O6 | C5 | C7 | 119.2° | 120.0° |
| N4 | C5 | C7 | 117.4° | 120.0° |
| C5 | N4 | C3 | 129.9° | 120.0° |
| C5 | N4 | H4 | 115.0° | 120.1° |
| C5 | C7 | C14 | 119.7° | 120.2° |
| C5 | C7 | C8 | 120.8° | 120.2° |
| N4 | C3 | B | 112.8° | 109.4° |
| C3 | N4 | H4 | 115.0° | 120.0° |
| N4 | C3 | H31C | 108.4° | 109.5° |
| N4 | C3 | H32C | 107.6° | 109.5° |
| C3 | B | O2 | 112.0° | 109.5° |
| C3 | B | O1 | 109.2° | 109.5° |
| C3 | B | O3 | 105.6° | 109.5° |
| B | C3 | H31C | 108.4° | 109.5° |
| B | C3 | H32C | 107.6° | 109.5° |
| O2 | B | O1 | 110.1° | 109.4° |
| O2 | B | O3 | 107.7° | 109.5° |
| B | O2 | H2 | 109.5° | 114.0° |
| O1 | B | O3 | 112.1° | 109.5° |
| B | O1 | H1 | 109.5° | 114.0° |
| B | O3 | H3 | 109.5° | 114.0° |
| C14 | C7 | C8 | 116.3° | 119.6° |
| C7 | C14 | CL | 117.3° | 120.0° |
| C7 | C14 | C13 | 122.6° | 119.9° |
| C7 | C8 | C11 | 120.7° | 119.9° |
| C7 | C8 | H8 | 119.7° | 120.0° |
| CL | C14 | C13 | 119.8° | 120.1° |
| C14 | C13 | C12 | 119.3° | 120.1° |
| C14 | C13 | H13 | 120.3° | 120.0° |
| C8 | C11 | C12 | 120.9° | 120.2° |
| C11 | C8 | H8 | 119.6° | 120.1° |
| C8 | C11 | H11 | 119.5° | 119.9° |
| C11 | C12 | C13 | 118.6° | 120.3° |
| C12 | C11 | H11 | 119.6° | 119.9° |
| C11 | C12 | H12 | 120.7° | 119.8° |
| C12 | C13 | H13 | 120.4° | 119.9° |
| C13 | C12 | H12 | 120.7° | 119.9° |
| H31C | C3 | H32C | 112.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C5 | N4 | C7 | 172.5° | 179.7° |
| O6 | C5 | N4 | C3 | 14.0° | 0.1° |
| O6 | C5 | C7 | C14 | 38.1° | 0.0° |
| O6 | C5 | C7 | C8 | 121.3° | 179.7° |
| O6 | C5 | N4 | H4 | 166.0° | 180.0° |
| C5 | N4 | C3 | H4 | 180.0° | 179.9° |
| C5 | N4 | C3 | B | 152.8° | 95.0° |
| N4 | C5 | C7 | C14 | 134.7° | 179.7° |
| N4 | C5 | C7 | C8 | 65.9° | 0.6° |
| C5 | N4 | C3 | H31C | 87.2° | 145.0° |
| C5 | N4 | C3 | H32C | 34.2° | 24.9° |
| C7 | C5 | N4 | C3 | 173.5° | 179.7° |
| C5 | C7 | C14 | C8 | 160.2° | 179.7° |
| C5 | C7 | C14 | CL | 12.9° | 0.0° |
| C5 | C7 | C14 | C13 | 173.4° | 180.0° |
| C5 | C7 | C8 | C11 | 174.0° | 180.0° |
| C7 | C5 | N4 | H4 | 6.5° | 0.3° |
| C5 | C7 | C8 | H8 | 6.0° | 0.0° |
| N4 | C3 | B | H31C | 120.0° | 120.0° |
| N4 | C3 | B | H32C | 118.6° | 120.0° |
| N4 | C3 | B | O2 | 168.5° | 60.0° |
| N4 | C3 | B | O1 | 46.2° | 180.0° |
| N4 | C3 | B | O3 | 74.5° | 60.0° |
| N4 | C3 | H31C | H32C | 118.6° | 120.0° |
| C3 | B | O2 | O1 | 121.8° | 120.0° |
| C3 | B | O2 | O3 | 115.7° | 120.1° |
| C3 | B | O1 | O3 | 116.7° | 120.0° |
| B | C3 | N4 | H4 | 27.2° | 85.0° |
| B | C3 | H31C | H32C | 118.6° | 120.0° |
| C3 | B | O2 | H2 | 128.1° | 180.0° |
| C3 | B | O1 | H1 | 22.1° | 60.0° |
| C3 | B | O3 | H3 | 30.6° | 60.0° |
| O2 | B | O1 | O3 | 119.9° | 120.0° |
| O2 | B | C3 | H31C | 71.5° | 60.0° |
| O2 | B | C3 | H32C | 49.9° | 180.0° |
| O2 | B | O1 | H1 | 145.6° | 60.1° |
| O2 | B | O3 | H3 | 89.3° | 60.0° |
| O1 | B | C3 | H31C | 166.2° | 60.0° |
| O1 | B | C3 | H32C | 72.4° | 60.0° |
| O1 | B | O2 | H2 | 6.3° | 60.0° |
| O1 | B | O3 | H3 | 149.4° | 180.0° |
| O3 | B | C3 | H31C | 45.5° | 180.0° |
| O3 | B | C3 | H32C | 166.9° | 59.9° |
| O3 | B | O2 | H2 | 116.1° | 60.0° |
| O3 | B | O1 | H1 | 94.5° | 180.0° |
| C7 | C14 | CL | C13 | 173.9° | 179.9° |
| C14 | C7 | C8 | C11 | 14.0° | 0.3° |
| C7 | C14 | C13 | C12 | 7.2° | 0.0° |
| C14 | C7 | C8 | H8 | 166.0° | 179.7° |
| C7 | C14 | C13 | H13 | 172.8° | 180.0° |
| C8 | C7 | C14 | CL | 173.2° | 179.7° |
| C8 | C7 | C14 | C13 | 13.1° | 0.2° |
| C7 | C8 | C11 | H8 | 180.0° | 180.0° |
| C7 | C8 | C11 | C12 | 9.4° | 0.0° |
| C7 | C8 | C11 | H11 | 170.6° | 180.0° |
| CL | C14 | C13 | C12 | 179.3° | 180.0° |
| CL | C14 | C13 | H13 | 0.7° | 0.1° |
| C14 | C13 | C12 | C11 | 1.7° | 0.3° |
| C14 | C13 | C12 | H13 | 180.0° | 179.9° |
| C14 | C13 | C12 | H12 | 178.3° | 179.9° |
| C8 | C11 | C12 | H11 | 180.0° | 180.0° |
| C8 | C11 | C12 | C13 | 2.8° | 0.3° |
| C8 | C11 | C12 | H12 | 177.2° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 179.8° |
| C12 | C11 | C8 | H8 | 170.7° | 180.0° |
| C11 | C12 | C13 | H13 | 178.3° | 179.7° |
| C13 | C12 | C11 | H11 | 177.2° | 179.7° |
| H4 | N4 | C3 | H31C | 92.8° | 34.9° |
| H4 | N4 | C3 | H32C | 145.8° | 155.0° |
| H8 | C8 | C11 | H11 | 9.3° | 0.0° |
| H13 | C13 | C12 | H12 | 1.7° | 0.0° |
| H11 | C11 | C12 | H12 | 2.8° | 0.1° |
