4PB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | N | sing | 1.35Å | 1.33Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | P | sing | 1.82Å | 1.81Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| N | ON | sing | 1.42Å | 1.40Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| ON | HON | sing | 0.97Å | 0.95Å | |
| P | O1P | doub | 1.57Å | 1.54Å | |
| P | O2P | sing | 1.57Å | 1.53Å | |
| P | O3P | sing | 1.57Å | 1.54Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N | 115.4° | 120.0° |
| C2 | C1 | O1 | 119.7° | 120.0° |
| C1 | C2 | C3 | 103.1° | 109.5° |
| C1 | C2 | H21 | 114.6° | 109.5° |
| C1 | C2 | H22 | 114.6° | 109.5° |
| N | C1 | O1 | 124.9° | 120.0° |
| C1 | N | ON | 123.6° | 120.0° |
| C1 | N | HN | 115.4° | 120.0° |
| C3 | C2 | H21 | 114.6° | 109.4° |
| C3 | C2 | H22 | 114.6° | 109.4° |
| C2 | C3 | C4 | 117.3° | 109.5° |
| C2 | C3 | H31 | 109.4° | 109.5° |
| C2 | C3 | H32 | 109.4° | 109.5° |
| H21 | C2 | H22 | 95.9° | 109.5° |
| C4 | C3 | H31 | 109.4° | 109.4° |
| C4 | C3 | H32 | 109.4° | 109.4° |
| C3 | C4 | P | 113.0° | 109.5° |
| C3 | C4 | H41 | 110.9° | 109.5° |
| C3 | C4 | H42 | 110.9° | 109.5° |
| H31 | C3 | H32 | 100.7° | 109.5° |
| P | C4 | H41 | 110.9° | 109.5° |
| P | C4 | H42 | 110.9° | 109.5° |
| C4 | P | O1P | 106.4° | 109.5° |
| C4 | P | O2P | 110.0° | 109.5° |
| C4 | P | O3P | 113.3° | 109.5° |
| H41 | C4 | H42 | 99.4° | 109.4° |
| ON | N | HN | 121.1° | 120.0° |
| N | ON | HON | 123.6° | 106.8° |
| O1P | P | O2P | 110.0° | 109.5° |
| O1P | P | O3P | 109.7° | 109.5° |
| O2P | P | O3P | 107.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N | O1 | 179.6° | 180.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.2° | 120.0° |
| C1 | C2 | H21 | H22 | 120.5° | 120.0° |
| C1 | C2 | C3 | C4 | 171.5° | 180.0° |
| C1 | C2 | C3 | H31 | 63.2° | 60.0° |
| C1 | C2 | C3 | H32 | 46.2° | 60.0° |
| C2 | C1 | N | ON | 179.2° | 180.0° |
| C2 | C1 | N | HN | 0.8° | 0.0° |
| N | C1 | C2 | C3 | 100.2° | 180.0° |
| N | C1 | C2 | H21 | 134.5° | 60.0° |
| N | C1 | C2 | H22 | 25.0° | 60.0° |
| C1 | N | ON | HN | 180.0° | 180.0° |
| C1 | N | ON | HON | 180.0° | 180.0° |
| O1 | C1 | C2 | C3 | 79.4° | 0.0° |
| O1 | C1 | C2 | H21 | 45.9° | 120.0° |
| O1 | C1 | C2 | H22 | 155.4° | 120.0° |
| O1 | C1 | N | ON | 1.2° | 0.0° |
| O1 | C1 | N | HN | 178.7° | 180.0° |
| C3 | C2 | H21 | H22 | 120.5° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 115.2° | 120.0° |
| C2 | C3 | C4 | P | 170.9° | 180.0° |
| C2 | C3 | C4 | H41 | 63.9° | 60.0° |
| C2 | C3 | C4 | H42 | 45.6° | 60.0° |
| H21 | C2 | C3 | C4 | 46.2° | 60.0° |
| H21 | C2 | C3 | H31 | 171.5° | 180.0° |
| H21 | C2 | C3 | H32 | 79.0° | 60.0° |
| H22 | C2 | C3 | C4 | 63.3° | 60.0° |
| H22 | C2 | C3 | H31 | 62.0° | 60.0° |
| H22 | C2 | C3 | H32 | 171.5° | 180.0° |
| C4 | C3 | H31 | H32 | 115.1° | 119.9° |
| C3 | C4 | P | H41 | 125.2° | 120.0° |
| C3 | C4 | P | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 116.8° | 120.0° |
| C3 | C4 | P | O1P | 163.5° | 65.0° |
| C3 | C4 | P | O2P | 77.3° | 175.0° |
| C3 | C4 | P | O3P | 42.9° | 55.0° |
| H31 | C3 | C4 | P | 45.6° | 60.0° |
| H31 | C3 | C4 | H41 | 170.8° | 180.0° |
| H31 | C3 | C4 | H42 | 79.7° | 60.0° |
| H32 | C3 | C4 | P | 63.8° | 60.0° |
| H32 | C3 | C4 | H41 | 61.4° | 60.0° |
| H32 | C3 | C4 | H42 | 170.9° | 180.0° |
| P | C4 | H41 | H42 | 116.8° | 120.0° |
| C4 | P | O1P | O2P | 119.1° | 120.0° |
| C4 | P | O1P | O3P | 122.9° | 120.0° |
| C4 | P | O2P | O3P | 123.7° | 120.0° |
| H41 | C4 | P | O1P | 38.3° | 55.0° |
| H41 | C4 | P | O2P | 157.4° | 65.0° |
| H41 | C4 | P | O3P | 82.3° | 175.1° |
| H42 | C4 | P | O1P | 71.2° | 174.9° |
| H42 | C4 | P | O2P | 47.9° | 54.9° |
| H42 | C4 | P | O3P | 168.2° | 65.0° |
| HN | N | ON | HON | 0.0° | 0.0° |
| O1P | P | O2P | O3P | 119.4° | 120.0° |






