ZBU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1P | P | sing | 1.61Å | 1.51Å | |
| P | O2P | doub | 1.48Å | 1.50Å | |
| P | O3G | sing | 1.61Å | 1.59Å | |
| P | O3P | sing | 1.61Å | 1.58Å | |
| O3G | C3G | sing | 1.43Å | 1.41Å | |
| C3G | C2G | sing | 1.53Å | 1.52Å | |
| C2G | O2G | sing | 1.43Å | 1.42Å | |
| C2G | C1G | sing | 1.53Å | 1.53Å | |
| C1G | N1 | sing | 1.47Å | 1.52Å | |
| N1 | C2 | sing | 1.35Å | 1.37Å | |
| N1 | C6 | sing | 1.37Å | 1.35Å | |
| C2 | O2 | doub | 1.22Å | 1.19Å | |
| C2 | N3 | sing | 1.35Å | 1.38Å | |
| N3 | C4 | sing | 1.35Å | 1.36Å | |
| C6 | C5 | doub | 1.35Å | 1.32Å | |
| C5 | BR5 | sing | 1.89Å | 1.85Å | |
| C5 | C4 | sing | 1.42Å | 1.43Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| O1P | H1P | sing | 0.97Å | 0.95Å | |
| O3P | H3P | sing | 0.97Å | 0.95Å | |
| C3G | H3G1 | sing | 1.09Å | 1.10Å | |
| C3G | H3G2 | sing | 1.09Å | 1.10Å | |
| C2G | H2G | sing | 1.09Å | 1.10Å | |
| O2G | HA | sing | 0.97Å | 0.95Å | |
| C1G | H1G1 | sing | 1.09Å | 1.10Å | |
| C1G | H1G2 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 118.6° | 109.5° |
| O1P | P | O3G | 109.9° | 109.5° |
| O1P | P | O3P | 117.4° | 109.4° |
| P | O1P | H1P | 109.5° | 114.0° |
| O2P | P | O3G | 98.0° | 109.5° |
| O2P | P | O3P | 110.0° | 109.5° |
| O3G | P | O3P | 99.2° | 109.5° |
| P | O3G | C3G | 120.8° | 123.0° |
| P | O3P | H3P | 109.5° | 114.0° |
| O3G | C3G | C2G | 107.6° | 109.5° |
| O3G | C3G | H3G1 | 110.1° | 109.5° |
| O3G | C3G | H3G2 | 110.5° | 109.5° |
| C3G | C2G | O2G | 108.9° | 109.5° |
| C3G | C2G | C1G | 108.6° | 109.5° |
| C2G | C3G | H3G1 | 110.1° | 109.5° |
| C2G | C3G | H3G2 | 110.5° | 109.4° |
| C3G | C2G | H2G | 110.7° | 109.4° |
| O2G | C2G | C1G | 110.1° | 109.5° |
| O2G | C2G | H2G | 109.2° | 109.5° |
| C2G | O2G | HA | 109.5° | 114.0° |
| C2G | C1G | N1 | 114.2° | 109.5° |
| C1G | C2G | H2G | 109.4° | 109.5° |
| C2G | C1G | H1G1 | 107.9° | 109.5° |
| C2G | C1G | H1G2 | 106.8° | 109.5° |
| C1G | N1 | C2 | 122.8° | 119.7° |
| C1G | N1 | C6 | 116.7° | 119.7° |
| N1 | C1G | H1G1 | 107.9° | 109.4° |
| N1 | C1G | H1G2 | 106.8° | 109.5° |
| C2 | N1 | C6 | 120.4° | 120.6° |
| N1 | C2 | O2 | 125.1° | 119.5° |
| N1 | C2 | N3 | 115.5° | 120.9° |
| N1 | C6 | C5 | 122.8° | 119.7° |
| N1 | C6 | H6 | 118.6° | 120.2° |
| O2 | C2 | N3 | 119.3° | 119.5° |
| C2 | N3 | C4 | 126.7° | 120.3° |
| C2 | N3 | H3 | 116.7° | 119.8° |
| N3 | C4 | C5 | 113.6° | 119.4° |
| N3 | C4 | O4 | 120.9° | 120.4° |
| C4 | N3 | H3 | 116.6° | 119.9° |
| C6 | C5 | BR5 | 118.0° | 120.5° |
| C6 | C5 | C4 | 120.9° | 119.0° |
| C5 | C6 | H6 | 118.6° | 120.1° |
| BR5 | C5 | C4 | 121.1° | 120.5° |
| C5 | C4 | O4 | 125.5° | 120.3° |
| H3G1 | C3G | H3G2 | 108.0° | 109.5° |
| H1G1 | C1G | H1G2 | 113.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3G | 118.0° | 120.0° |
| O1P | P | O2P | O3P | 139.1° | 120.0° |
| O1P | P | O3G | O3P | 123.7° | 120.0° |
| O1P | P | O3G | C3G | 10.4° | 175.0° |
| O1P | P | O3P | H3P | 62.6° | 60.0° |
| O2P | P | O3G | O3P | 111.8° | 120.0° |
| O2P | P | O3G | C3G | 114.0° | 55.0° |
| O2P | P | O1P | H1P | 49.9° | 60.0° |
| O2P | P | O3P | H3P | 157.8° | 180.0° |
| P | O3G | C3G | C2G | 170.9° | 180.0° |
| O3G | P | O1P | H1P | 61.7° | 180.0° |
| O3G | P | O3P | H3P | 55.7° | 60.0° |
| P | O3G | C3G | H3G1 | 50.9° | 60.0° |
| P | O3G | C3G | H3G2 | 68.4° | 60.0° |
| O3P | P | O3G | C3G | 134.1° | 65.0° |
| O3P | P | O1P | H1P | 174.0° | 60.0° |
| O3G | C3G | C2G | H3G1 | 120.0° | 120.0° |
| O3G | C3G | C2G | H3G2 | 120.8° | 120.0° |
| O3G | C3G | C2G | O2G | 175.3° | 65.0° |
| O3G | C3G | C2G | C1G | 64.9° | 175.0° |
| O3G | C3G | H3G1 | H3G2 | 120.8° | 120.0° |
| O3G | C3G | C2G | H2G | 55.3° | 55.0° |
| C3G | C2G | O2G | C1G | 118.9° | 120.0° |
| C3G | C2G | O2G | H2G | 120.9° | 120.0° |
| C3G | C2G | C1G | H2G | 120.9° | 120.0° |
| C3G | C2G | C1G | N1 | 179.5° | 180.0° |
| C2G | C3G | H3G1 | H3G2 | 120.8° | 120.0° |
| C3G | C2G | O2G | HA | 76.0° | 60.0° |
| C3G | C2G | C1G | H1G1 | 59.5° | 60.0° |
| C3G | C2G | C1G | H1G2 | 62.6° | 60.0° |
| O2G | C2G | C1G | H2G | 120.0° | 120.0° |
| O2G | C2G | C1G | N1 | 60.4° | 60.0° |
| O2G | C2G | C3G | H3G1 | 55.3° | 55.1° |
| O2G | C2G | C3G | H3G2 | 64.0° | 175.0° |
| O2G | C2G | C1G | H1G1 | 59.6° | 60.0° |
| O2G | C2G | C1G | H1G2 | 178.3° | 180.0° |
| C2G | C1G | N1 | H1G1 | 120.0° | 120.0° |
| C2G | C1G | N1 | H1G2 | 117.9° | 120.0° |
| C2G | C1G | N1 | C2 | 87.6° | 90.0° |
| C2G | C1G | N1 | C6 | 96.1° | 90.3° |
| C1G | C2G | C3G | H3G1 | 175.1° | 65.0° |
| C1G | C2G | C3G | H3G2 | 55.9° | 55.0° |
| C1G | C2G | O2G | HA | 165.2° | 60.0° |
| C2G | C1G | H1G1 | H1G2 | 118.0° | 120.0° |
| C1G | N1 | C2 | C6 | 176.2° | 179.7° |
| C1G | N1 | C2 | O2 | 3.9° | 0.0° |
| C1G | N1 | C2 | N3 | 179.1° | 179.9° |
| C1G | N1 | C6 | C5 | 179.0° | 180.0° |
| N1 | C1G | C2G | H2G | 59.6° | 60.1° |
| N1 | C1G | H1G1 | H1G2 | 118.1° | 120.0° |
| C1G | N1 | C6 | H6 | 1.0° | 0.0° |
| N1 | C2 | O2 | N3 | 177.0° | 179.9° |
| N1 | C2 | N3 | C4 | 1.8° | 0.1° |
| C2 | N1 | C6 | C5 | 2.6° | 0.2° |
| C2 | N1 | C1G | H1G1 | 152.4° | 30.0° |
| C2 | N1 | C1G | H1G2 | 30.3° | 150.0° |
| C2 | N1 | C6 | H6 | 177.3° | 179.7° |
| N1 | C2 | N3 | H3 | 178.2° | 180.0° |
| C6 | N1 | C2 | O2 | 180.0° | 179.7° |
| C6 | N1 | C2 | N3 | 2.9° | 0.2° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | BR5 | 178.5° | 180.0° |
| N1 | C6 | C5 | C4 | 1.0° | 0.0° |
| C6 | N1 | C1G | H1G1 | 23.9° | 149.7° |
| C6 | N1 | C1G | H1G2 | 146.0° | 29.7° |
| O2 | C2 | N3 | C4 | 179.1° | 180.0° |
| O2 | C2 | N3 | H3 | 0.9° | 0.1° |
| C2 | N3 | C4 | H3 | 180.0° | 179.9° |
| C2 | N3 | C4 | C5 | 0.3° | 0.3° |
| C2 | N3 | C4 | O4 | 179.1° | 179.9° |
| N3 | C4 | C5 | C6 | 0.2° | 0.3° |
| N3 | C4 | C5 | BR5 | 179.6° | 179.8° |
| N3 | C4 | C5 | O4 | 179.4° | 179.7° |
| C6 | C5 | BR5 | C4 | 179.4° | 179.9° |
| C6 | C5 | C4 | O4 | 179.6° | 180.0° |
| BR5 | C5 | C4 | O4 | 1.0° | 0.0° |
| BR5 | C5 | C6 | H6 | 1.5° | 0.1° |
| C4 | C5 | C6 | H6 | 179.0° | 180.0° |
| C5 | C4 | N3 | H3 | 179.7° | 179.7° |
| O4 | C4 | N3 | H3 | 0.9° | 0.0° |
| H3G1 | C3G | C2G | H2G | 64.7° | 175.1° |
| H3G2 | C3G | C2G | H2G | 176.0° | 65.0° |
| H2G | C2G | O2G | HA | 45.0° | 179.9° |
| H2G | C2G | C1G | H1G1 | 179.6° | 180.0° |
| H2G | C2G | C1G | H1G2 | 58.3° | 59.9° |
