ZBC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O3G | sing | 1.61Å | 1.60Å | |
| P | O1P | doub | 1.48Å | 1.50Å | |
| P | O2P | sing | 1.61Å | 1.50Å | |
| P | OXT | sing | 1.61Å | 1.58Å | |
| BR5 | C5 | sing | 1.89Å | 1.89Å | |
| C5 | C4 | sing | 1.41Å | 1.42Å | |
| C5 | C6 | doub | 1.35Å | 1.33Å | |
| C4 | N4 | sing | 1.38Å | 1.33Å | |
| C4 | N3 | doub | 1.33Å | 1.34Å | |
| N3 | C2 | sing | 1.33Å | 1.35Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | N1 | sing | 1.35Å | 1.39Å | |
| C6 | N1 | sing | 1.36Å | 1.36Å | |
| N1 | C1G | sing | 1.47Å | 1.47Å | |
| C1G | C2G | sing | 1.53Å | 1.52Å | |
| C2G | O2G | sing | 1.43Å | 1.43Å | |
| C2G | C3G | sing | 1.53Å | 1.53Å | |
| C3G | O3G | sing | 1.43Å | 1.43Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N4 | H41N | sing | 0.97Å | 1.00Å | |
| N4 | H42N | sing | 0.97Å | 1.00Å | |
| C1G | H1G1 | sing | 1.09Å | 1.10Å | |
| C1G | H1G2 | sing | 1.09Å | 1.10Å | |
| C2G | H2G | sing | 1.09Å | 1.10Å | |
| O2G | HA | sing | 0.97Å | 0.95Å | |
| C3G | H3G1 | sing | 1.09Å | 1.10Å | |
| C3G | H3G2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3G | P | O1P | 108.8° | 109.5° |
| O3G | P | O2P | 111.7° | 109.5° |
| O3G | P | OXT | 99.6° | 109.5° |
| P | O3G | C3G | 115.2° | 123.0° |
| O1P | P | O2P | 116.3° | 109.5° |
| O1P | P | OXT | 107.0° | 109.5° |
| O2P | P | OXT | 112.1° | 109.4° |
| P | O2P | H2P | 109.5° | 114.0° |
| P | OXT | HXT | 109.5° | 114.0° |
| BR5 | C5 | C4 | 120.2° | 120.5° |
| BR5 | C5 | C6 | 120.9° | 120.5° |
| C4 | C5 | C6 | 118.8° | 119.0° |
| C5 | C4 | N4 | 121.5° | 120.2° |
| C5 | C4 | N3 | 120.4° | 119.6° |
| C5 | C6 | N1 | 120.7° | 119.3° |
| C5 | C6 | H6 | 119.7° | 120.4° |
| N4 | C4 | N3 | 118.1° | 120.1° |
| C4 | N4 | H41N | 109.7° | 119.9° |
| C4 | N4 | H42N | 125.1° | 120.0° |
| C4 | N3 | C2 | 120.5° | 120.7° |
| N3 | C2 | O2 | 121.8° | 119.4° |
| N3 | C2 | N1 | 119.2° | 121.1° |
| O2 | C2 | N1 | 119.0° | 119.5° |
| C2 | N1 | C6 | 120.3° | 120.3° |
| C2 | N1 | C1G | 120.0° | 119.8° |
| C6 | N1 | C1G | 119.7° | 119.8° |
| N1 | C6 | H6 | 119.6° | 120.4° |
| N1 | C1G | C2G | 113.7° | 109.5° |
| N1 | C1G | H1G1 | 108.1° | 109.5° |
| N1 | C1G | H1G2 | 107.1° | 109.5° |
| C1G | C2G | O2G | 107.9° | 109.5° |
| C1G | C2G | C3G | 112.7° | 109.4° |
| C2G | C1G | H1G1 | 108.1° | 109.5° |
| C2G | C1G | H1G2 | 107.1° | 109.5° |
| C1G | C2G | H2G | 107.6° | 109.5° |
| O2G | C2G | C3G | 106.9° | 109.5° |
| O2G | C2G | H2G | 113.4° | 109.4° |
| C2G | O2G | HA | 109.5° | 114.0° |
| C2G | C3G | O3G | 110.0° | 109.4° |
| C3G | C2G | H2G | 108.6° | 109.4° |
| C2G | C3G | H3G1 | 109.3° | 109.5° |
| C2G | C3G | H3G2 | 109.2° | 109.5° |
| O3G | C3G | H3G1 | 109.3° | 109.4° |
| O3G | C3G | H3G2 | 109.2° | 109.5° |
| H41N | N4 | H42N | 125.1° | 120.0° |
| H1G1 | C1G | H1G2 | 112.9° | 109.5° |
| H3G1 | C3G | H3G2 | 109.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3G | P | O1P | O2P | 127.1° | 120.0° |
| O3G | P | O1P | OXT | 106.8° | 120.0° |
| O3G | P | O2P | OXT | 110.9° | 120.0° |
| P | O3G | C3G | C2G | 150.8° | 180.0° |
| O3G | P | O2P | H2P | 99.6° | 60.0° |
| O3G | P | OXT | HXT | 57.1° | 180.0° |
| P | O3G | C3G | H3G1 | 89.2° | 60.0° |
| P | O3G | C3G | H3G2 | 31.1° | 60.0° |
| O1P | P | O2P | OXT | 123.5° | 120.0° |
| O1P | P | O3G | C3G | 58.9° | 55.0° |
| O1P | P | O2P | H2P | 134.7° | 180.0° |
| O1P | P | OXT | HXT | 56.0° | 60.0° |
| O2P | P | O3G | C3G | 70.7° | 65.0° |
| O2P | P | OXT | HXT | 175.4° | 60.0° |
| OXT | P | O3G | C3G | 170.7° | 175.1° |
| OXT | P | O2P | H2P | 11.2° | 60.0° |
| BR5 | C5 | C4 | C6 | 179.1° | 179.8° |
| BR5 | C5 | C4 | N4 | 0.8° | 0.1° |
| BR5 | C5 | C4 | N3 | 178.7° | 180.0° |
| BR5 | C5 | C6 | N1 | 178.8° | 179.7° |
| BR5 | C5 | C6 | H6 | 1.2° | 0.1° |
| C5 | C4 | N4 | N3 | 179.5° | 179.9° |
| C5 | C4 | N3 | C2 | 0.1° | 0.1° |
| C4 | C5 | C6 | N1 | 0.2° | 0.5° |
| C4 | C5 | C6 | H6 | 179.7° | 179.8° |
| C5 | C4 | N4 | H41N | 180.0° | 0.1° |
| C5 | C4 | N4 | H42N | 0.0° | 180.0° |
| C6 | C5 | C4 | N4 | 179.9° | 179.7° |
| C6 | C5 | C4 | N3 | 0.4° | 0.2° |
| C5 | C6 | N1 | C2 | 0.2° | 0.5° |
| C5 | C6 | N1 | H6 | 180.0° | 179.8° |
| C5 | C6 | N1 | C1G | 179.1° | 179.7° |
| N4 | C4 | N3 | C2 | 179.6° | 180.0° |
| C4 | N4 | H41N | H42N | 180.0° | 179.9° |
| C4 | N3 | C2 | O2 | 179.7° | 180.0° |
| C4 | N3 | C2 | N1 | 0.3° | 0.0° |
| N3 | C4 | N4 | H41N | 0.5° | 180.0° |
| N3 | C4 | N4 | H42N | 179.5° | 0.1° |
| N3 | C2 | O2 | N1 | 179.4° | 180.0° |
| N3 | C2 | N1 | C6 | 0.4° | 0.3° |
| N3 | C2 | N1 | C1G | 179.4° | 180.0° |
| O2 | C2 | N1 | C6 | 179.9° | 179.7° |
| O2 | C2 | N1 | C1G | 1.2° | 0.0° |
| C2 | N1 | C6 | C1G | 179.0° | 179.7° |
| C2 | N1 | C1G | C2G | 75.9° | 90.0° |
| C2 | N1 | C6 | H6 | 179.9° | 179.7° |
| C2 | N1 | C1G | H1G1 | 44.1° | 150.0° |
| C2 | N1 | C1G | H1G2 | 166.0° | 30.0° |
| C6 | N1 | C1G | C2G | 105.2° | 89.7° |
| C6 | N1 | C1G | H1G1 | 134.8° | 30.3° |
| C6 | N1 | C1G | H1G2 | 12.9° | 150.3° |
| N1 | C1G | C2G | H1G1 | 120.0° | 120.0° |
| N1 | C1G | C2G | H1G2 | 118.1° | 120.0° |
| N1 | C1G | C2G | O2G | 55.7° | 60.0° |
| N1 | C1G | C2G | C3G | 173.4° | 180.0° |
| C1G | N1 | C6 | H6 | 0.9° | 0.0° |
| N1 | C1G | H1G1 | H1G2 | 118.2° | 120.0° |
| N1 | C1G | C2G | H2G | 67.0° | 60.0° |
| C1G | C2G | O2G | C3G | 121.4° | 120.0° |
| C1G | C2G | O2G | H2G | 119.0° | 120.0° |
| C1G | C2G | C3G | H2G | 119.1° | 120.0° |
| C1G | C2G | C3G | O3G | 60.1° | 175.0° |
| C2G | C1G | H1G1 | H1G2 | 118.3° | 120.0° |
| C1G | C2G | O2G | HA | 154.6° | 60.0° |
| C1G | C2G | C3G | H3G1 | 59.9° | 55.0° |
| C1G | C2G | C3G | H3G2 | 179.9° | 65.1° |
| O2G | C2G | C3G | H2G | 122.6° | 120.0° |
| O2G | C2G | C3G | O3G | 178.4° | 65.0° |
| O2G | C2G | C1G | H1G1 | 175.6° | 180.0° |
| O2G | C2G | C1G | H1G2 | 62.4° | 60.0° |
| O2G | C2G | C3G | H3G1 | 58.4° | 175.1° |
| O2G | C2G | C3G | H3G2 | 61.8° | 55.0° |
| C2G | C3G | O3G | H3G1 | 120.0° | 120.0° |
| C2G | C3G | O3G | H3G2 | 119.7° | 120.0° |
| C3G | C2G | C1G | H1G1 | 66.6° | 60.0° |
| C3G | C2G | C1G | H1G2 | 55.3° | 60.0° |
| C3G | C2G | O2G | HA | 84.0° | 60.0° |
| C2G | C3G | H3G1 | H3G2 | 119.8° | 120.1° |
| O3G | C3G | C2G | H2G | 58.9° | 55.0° |
| O3G | C3G | H3G1 | H3G2 | 119.8° | 120.0° |
| H1G1 | C1G | C2G | H2G | 53.0° | 60.0° |
| H1G2 | C1G | C2G | H2G | 174.9° | 180.0° |
| H2G | C2G | O2G | HA | 35.6° | 179.9° |
| H2G | C2G | C3G | H3G1 | 179.0° | 65.0° |
| H2G | C2G | C3G | H3G2 | 60.8° | 174.9° |
