ZAD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2P | P | sing | 1.49Å | 1.49Å | |
| P | O1P | doub | 1.49Å | 1.49Å | |
| P | O3G | sing | 1.59Å | 1.59Å | |
| P | OXT | sing | 1.58Å | 1.58Å | |
| O3G | C3G | sing | 1.43Å | 1.43Å | |
| C3G | C2G | sing | 1.52Å | 1.52Å | |
| C2G | O2G | sing | 1.42Å | 1.42Å | |
| C2G | C1G | sing | 1.52Å | 1.52Å | |
| C1G | N9 | sing | 1.47Å | 1.47Å | |
| N9 | C4 | sing | 1.36Å | 1.36Å | Aromatic |
| N9 | C8 | sing | 1.33Å | 1.33Å | Aromatic |
| C4 | N3 | sing | 1.35Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| N3 | C2 | doub | 1.35Å | 1.35Å | Aromatic |
| C2 | N1 | sing | 1.33Å | 1.33Å | Aromatic |
| N1 | C6 | doub | 1.35Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.34Å | 1.34Å | |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | N7 | sing | 1.38Å | 1.38Å | Aromatic |
| N7 | C8 | doub | 1.35Å | 1.35Å | Aromatic |
| O2P | H2P | sing | 0.95Å | 0.95Å | |
| OXT | HOT | sing | 0.95Å | 0.95Å | |
| C3G | H3G1 | sing | 1.10Å | 1.10Å | |
| C3G | H3G2 | sing | 1.10Å | 1.10Å | |
| C2G | H2G | sing | 1.10Å | 1.10Å | |
| O2G | HA | sing | 0.95Å | 0.95Å | |
| C1G | H1G1 | sing | 1.10Å | 1.10Å | |
| C1G | H1G2 | sing | 1.10Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | H6N1 | sing | 1.00Å | 1.00Å | |
| N6 | H6N2 | sing | 1.00Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2P | P | O1P | 118.6° | 118.6° |
| O2P | P | O3G | 109.0° | 109.0° |
| O2P | P | OXT | 111.4° | 111.4° |
| P | O2P | H2P | 109.5° | 109.5° |
| O1P | P | O3G | 109.2° | 109.2° |
| O1P | P | OXT | 106.5° | 106.5° |
| O3G | P | OXT | 100.6° | 100.6° |
| P | O3G | C3G | 120.7° | 120.7° |
| P | OXT | HOT | 109.5° | 109.5° |
| O3G | C3G | C2G | 110.9° | 110.9° |
| O3G | C3G | H3G1 | 109.0° | 109.0° |
| O3G | C3G | H3G2 | 108.6° | 108.7° |
| C3G | C2G | O2G | 110.1° | 110.1° |
| C3G | C2G | C1G | 107.4° | 107.4° |
| C2G | C3G | H3G1 | 109.0° | 109.0° |
| C2G | C3G | H3G2 | 108.7° | 108.6° |
| C3G | C2G | H2G | 109.5° | 109.5° |
| O2G | C2G | C1G | 106.6° | 106.6° |
| O2G | C2G | H2G | 110.3° | 110.3° |
| C2G | O2G | HA | 109.5° | 109.5° |
| C2G | C1G | N9 | 113.1° | 113.1° |
| C1G | C2G | H2G | 112.9° | 112.9° |
| C2G | C1G | H1G1 | 108.3° | 108.3° |
| C2G | C1G | H1G2 | 107.4° | 107.4° |
| C1G | N9 | C4 | 125.4° | 125.4° |
| C1G | N9 | C8 | 126.2° | 126.2° |
| N9 | C1G | H1G1 | 108.3° | 108.3° |
| N9 | C1G | H1G2 | 107.5° | 107.5° |
| C4 | N9 | C8 | 108.3° | 108.3° |
| N9 | C4 | N3 | 131.0° | 131.0° |
| N9 | C4 | C5 | 106.4° | 106.4° |
| N9 | C8 | N7 | 111.0° | 111.0° |
| N9 | C8 | H8 | 124.5° | 124.5° |
| N3 | C4 | C5 | 122.6° | 122.6° |
| C4 | N3 | C2 | 116.5° | 116.5° |
| C4 | C5 | C6 | 118.7° | 118.7° |
| C4 | C5 | N7 | 108.8° | 108.8° |
| N3 | C2 | N1 | 122.9° | 122.9° |
| N3 | C2 | H2 | 118.6° | 118.6° |
| C2 | N1 | C6 | 122.3° | 122.3° |
| N1 | C2 | H2 | 118.6° | 118.6° |
| N1 | C6 | N6 | 121.2° | 121.2° |
| N1 | C6 | C5 | 117.0° | 117.0° |
| N6 | C6 | C5 | 121.8° | 121.8° |
| C6 | N6 | H6N1 | 109.5° | 109.5° |
| C6 | N6 | H6N2 | 109.5° | 109.5° |
| C6 | C5 | N7 | 132.4° | 132.4° |
| C5 | N7 | C8 | 105.4° | 105.4° |
| N7 | C8 | H8 | 124.5° | 124.5° |
| H3G1 | C3G | H3G2 | 110.6° | 110.6° |
| H1G1 | C1G | H1G2 | 112.3° | 112.3° |
| H6N1 | N6 | H6N2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2P | P | O1P | O3G | 125.7° | 125.7° |
| O2P | P | O1P | OXT | 126.5° | 126.5° |
| O2P | P | O3G | OXT | 117.2° | 117.2° |
| O2P | P | O3G | C3G | 45.5° | 45.5° |
| O2P | P | OXT | HOT | 85.7° | 85.7° |
| O1P | P | O3G | OXT | 111.8° | 111.8° |
| O1P | P | O3G | C3G | 85.6° | 85.6° |
| O1P | P | O2P | H2P | 47.6° | 47.6° |
| O1P | P | OXT | HOT | 143.6° | 143.6° |
| P | O3G | C3G | C2G | 135.8° | 135.8° |
| O3G | P | O2P | H2P | 78.1° | 78.1° |
| O3G | P | OXT | HOT | 29.7° | 29.7° |
| P | O3G | C3G | H3G1 | 104.2° | 104.2° |
| P | O3G | C3G | H3G2 | 16.4° | 16.4° |
| OXT | P | O3G | C3G | 162.7° | 162.7° |
| OXT | P | O2P | H2P | 171.8° | 171.8° |
| O3G | C3G | C2G | H3G1 | 120.0° | 120.0° |
| O3G | C3G | C2G | H3G2 | 119.4° | 119.4° |
| O3G | C3G | C2G | O2G | 69.7° | 69.7° |
| O3G | C3G | C2G | C1G | 46.0° | 46.0° |
| O3G | C3G | H3G1 | H3G2 | 119.4° | 119.4° |
| O3G | C3G | C2G | H2G | 168.9° | 168.9° |
| C3G | C2G | O2G | C1G | 116.2° | 116.2° |
| C3G | C2G | O2G | H2G | 120.9° | 120.9° |
| C3G | C2G | C1G | H2G | 120.8° | 120.8° |
| C3G | C2G | C1G | N9 | 177.9° | 177.9° |
| C2G | C3G | H3G1 | H3G2 | 119.4° | 119.4° |
| C3G | C2G | O2G | HA | 70.8° | 70.8° |
| C3G | C2G | C1G | H1G1 | 57.9° | 57.9° |
| C3G | C2G | C1G | H1G2 | 63.6° | 63.6° |
| O2G | C2G | C1G | H2G | 121.2° | 121.2° |
| O2G | C2G | C1G | N9 | 59.9° | 59.9° |
| O2G | C2G | C3G | H3G1 | 170.3° | 170.3° |
| O2G | C2G | C3G | H3G2 | 49.7° | 49.7° |
| O2G | C2G | C1G | H1G1 | 60.1° | 60.1° |
| O2G | C2G | C1G | H1G2 | 178.3° | 178.3° |
| C2G | C1G | N9 | H1G1 | 120.0° | 120.0° |
| C2G | C1G | N9 | H1G2 | 118.4° | 118.4° |
| C2G | C1G | N9 | C4 | 89.5° | 89.5° |
| C2G | C1G | N9 | C8 | 93.0° | 93.0° |
| C1G | C2G | C3G | H3G1 | 74.0° | 74.0° |
| C1G | C2G | C3G | H3G2 | 165.4° | 165.4° |
| C1G | C2G | O2G | HA | 45.4° | 45.4° |
| C2G | C1G | H1G1 | H1G2 | 118.5° | 118.5° |
| C1G | N9 | C4 | C8 | 177.8° | 177.8° |
| C1G | N9 | C4 | N3 | 1.8° | 1.8° |
| C1G | N9 | C4 | C5 | 177.5° | 177.5° |
| C1G | N9 | C8 | N7 | 177.9° | 177.9° |
| N9 | C1G | C2G | H2G | 61.3° | 61.3° |
| N9 | C1G | H1G1 | H1G2 | 118.6° | 118.6° |
| C1G | N9 | C8 | H8 | 2.1° | 2.1° |
| N9 | C4 | N3 | C5 | 179.2° | 179.2° |
| N9 | C4 | N3 | C2 | 179.2° | 179.2° |
| N9 | C4 | C5 | C6 | 178.5° | 178.5° |
| N9 | C4 | C5 | N7 | 0.6° | 0.6° |
| C4 | N9 | C8 | N7 | 0.1° | 0.1° |
| C4 | N9 | C1G | H1G1 | 150.5° | 150.5° |
| C4 | N9 | C1G | H1G2 | 28.9° | 28.9° |
| C4 | N9 | C8 | H8 | 179.8° | 179.8° |
| C8 | N9 | C4 | N3 | 179.6° | 179.6° |
| C8 | N9 | C4 | C5 | 0.3° | 0.3° |
| N9 | C8 | N7 | C5 | 0.5° | 0.5° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C8 | N9 | C1G | H1G1 | 26.9° | 26.9° |
| C8 | N9 | C1G | H1G2 | 148.5° | 148.5° |
| C4 | N3 | C2 | N1 | 0.8° | 0.8° |
| N3 | C4 | C5 | C6 | 2.1° | 2.1° |
| N3 | C4 | C5 | N7 | 180.0° | 180.0° |
| C4 | N3 | C2 | H2 | 179.2° | 179.2° |
| C5 | C4 | N3 | C2 | 1.5° | 1.5° |
| C4 | C5 | C6 | N1 | 1.9° | 1.9° |
| C4 | C5 | C6 | N6 | 179.2° | 179.2° |
| C4 | C5 | C6 | N7 | 177.3° | 177.3° |
| C4 | C5 | N7 | C8 | 0.6° | 0.6° |
| N3 | C2 | N1 | H2 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.7° | 0.7° |
| C2 | N1 | C6 | N6 | 178.6° | 178.6° |
| C2 | N1 | C6 | C5 | 1.2° | 1.2° |
| N1 | C6 | N6 | C5 | 177.3° | 177.3° |
| N1 | C6 | C5 | N7 | 179.2° | 179.2° |
| C6 | N1 | C2 | H2 | 179.3° | 179.3° |
| N1 | C6 | N6 | H6N1 | 101.8° | 101.8° |
| N1 | C6 | N6 | H6N2 | 18.2° | 18.2° |
| N6 | C6 | C5 | N7 | 3.4° | 3.4° |
| C6 | N6 | H6N1 | H6N2 | 120.0° | 120.0° |
| C6 | C5 | N7 | C8 | 178.1° | 178.1° |
| C5 | C6 | N6 | H6N1 | 75.4° | 75.4° |
| C5 | C6 | N6 | H6N2 | 164.5° | 164.5° |
| C5 | N7 | C8 | H8 | 179.5° | 179.5° |
| H3G1 | C3G | C2G | H2G | 48.9° | 48.9° |
| H3G2 | C3G | C2G | H2G | 71.7° | 71.7° |
| H2G | C2G | O2G | HA | 168.2° | 168.2° |
| H2G | C2G | C1G | H1G1 | 178.7° | 178.7° |
| H2G | C2G | C1G | H1G2 | 57.2° | 57.2° |
