P1T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP1 | P | sing | 1.62Å | 1.50Å | |
| OP1 | HOP1 | sing | 0.98Å | 0.95Å | |
| P | OP2 | doub | 1.50Å | 1.49Å | |
| P | OP4 | sing | 1.62Å | 1.61Å | |
| P | OP3 | sing | 1.62Å | 1.46Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
| OP4 | C5A | sing | 1.42Å | 1.37Å | |
| C5A | C5 | sing | 1.49Å | 1.52Å | |
| C5A | H5A1 | sing | 1.10Å | 1.10Å | |
| C5A | H5A2 | sing | 1.10Å | 1.10Å | |
| C5 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | N1 | sing | 1.35Å | 1.34Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| N1 | C2 | doub | 1.35Å | 1.33Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.43Å | Aromatic |
| C2 | C2A | sing | 1.49Å | 1.51Å | |
| C2A | H2A1 | sing | 1.10Å | 1.10Å | |
| C2A | H2A2 | sing | 1.10Å | 1.10Å | |
| C2A | H2A3 | sing | 1.10Å | 1.10Å | |
| C3 | O3A | sing | 1.36Å | 1.35Å | |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| O3A | HO3A | sing | 0.97Å | 0.95Å | |
| C4 | C4A | sing | 1.49Å | 1.50Å | |
| C4A | N | sing | 1.44Å | 1.29Å | |
| C4A | H4A1 | sing | 1.10Å | 1.10Å | |
| C4A | H4A2 | sing | 1.10Å | 1.10Å | |
| N | CA | sing | 1.33Å | 1.38Å | |
| N | HN | sing | 1.02Å | 1.00Å | |
| CA | C | sing | 1.49Å | 1.47Å | |
| CA | CB | doub | 1.34Å | 1.31Å | |
| CB | HB1 | sing | 1.09Å | 1.08Å | |
| CB | HB2 | sing | 1.08Å | 1.08Å | |
| C | OXT | doub | 1.22Å | 1.29Å | |
| C | O | sing | 1.36Å | 1.23Å | |
| O | HO | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | OP1 | HOP1 | 109.5° | 118.9° |
| OP1 | P | OP2 | 114.9° | 115.4° |
| OP1 | P | OP4 | 114.5° | 103.8° |
| OP1 | P | OP3 | 113.8° | 103.3° |
| OP2 | P | OP4 | 103.7° | 115.1° |
| OP2 | P | OP3 | 108.0° | 115.0° |
| OP4 | P | OP3 | 100.4° | 102.7° |
| P | OP4 | C5A | 124.3° | 118.3° |
| P | OP3 | HOP3 | 109.5° | 118.9° |
| OP4 | C5A | C5 | 117.1° | 109.5° |
| OP4 | C5A | H5A1 | 107.0° | 108.5° |
| OP4 | C5A | H5A2 | 105.3° | 108.6° |
| C5 | C5A | H5A1 | 107.0° | 111.5° |
| C5 | C5A | H5A2 | 105.3° | 111.3° |
| C5A | C5 | C4 | 120.8° | 122.0° |
| C5A | C5 | C6 | 118.8° | 120.1° |
| H5A1 | C5A | H5A2 | 115.6° | 107.3° |
| C4 | C5 | C6 | 120.2° | 117.9° |
| C5 | C4 | C3 | 116.0° | 119.7° |
| C5 | C4 | C4A | 124.7° | 120.3° |
| C5 | C6 | N1 | 121.7° | 124.0° |
| C5 | C6 | H6 | 119.1° | 121.3° |
| N1 | C6 | H6 | 119.2° | 114.7° |
| C6 | N1 | C2 | 121.7° | 116.4° |
| N1 | C2 | C3 | 117.7° | 124.1° |
| N1 | C2 | C2A | 123.0° | 115.8° |
| C3 | C2 | C2A | 119.3° | 120.1° |
| C2 | C3 | O3A | 116.5° | 121.1° |
| C2 | C3 | C4 | 122.7° | 117.9° |
| C2 | C2A | H2A1 | 109.5° | 110.3° |
| C2 | C2A | H2A2 | 109.5° | 111.2° |
| C2 | C2A | H2A3 | 109.5° | 111.2° |
| H2A1 | C2A | H2A2 | 109.5° | 108.6° |
| H2A1 | C2A | H2A3 | 109.5° | 108.6° |
| H2A2 | C2A | H2A3 | 109.5° | 106.9° |
| O3A | C3 | C4 | 120.9° | 121.0° |
| C3 | O3A | HO3A | 109.5° | 110.4° |
| C3 | C4 | C4A | 119.0° | 120.0° |
| C4 | C4A | N | 119.5° | 112.2° |
| C4 | C4A | H4A1 | 106.3° | 111.0° |
| C4 | C4A | H4A2 | 103.9° | 111.4° |
| N | C4A | H4A1 | 106.2° | 107.6° |
| N | C4A | H4A2 | 103.9° | 107.5° |
| C4A | N | CA | 125.6° | 122.8° |
| C4A | N | HN | 104.4° | 119.8° |
| H4A1 | C4A | H4A2 | 117.7° | 107.0° |
| CA | N | HN | 104.4° | 117.4° |
| N | CA | C | 120.6° | 118.6° |
| N | CA | CB | 122.7° | 124.8° |
| C | CA | CB | 116.6° | 116.6° |
| CA | C | OXT | 121.6° | 125.6° |
| CA | C | O | 115.8° | 110.8° |
| CA | CB | HB1 | 108.6° | 120.5° |
| CA | CB | HB2 | 125.7° | 122.8° |
| HB1 | CB | HB2 | 125.8° | 116.6° |
| OXT | C | O | 122.3° | 123.6° |
| C | O | HO | 109.5° | 112.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP4 | 125.8° | 120.8° |
| OP1 | P | OP2 | OP3 | 128.3° | 120.1° |
| OP1 | P | OP4 | OP3 | 122.4° | 107.3° |
| OP1 | P | OP3 | HOP3 | 21.6° | 78.5° |
| OP1 | P | OP4 | C5A | 32.0° | 53.0° |
| HOP1 | OP1 | P | OP2 | 44.0° | 48.7° |
| HOP1 | OP1 | P | OP4 | 76.0° | 175.5° |
| HOP1 | OP1 | P | OP3 | 169.2° | 77.6° |
| OP2 | P | OP4 | OP3 | 111.6° | 125.7° |
| OP2 | P | OP3 | HOP3 | 150.4° | 48.0° |
| OP2 | P | OP4 | C5A | 94.0° | 180.0° |
| OP4 | P | OP3 | HOP3 | 101.3° | 173.8° |
| P | OP4 | C5A | C5 | 167.6° | 180.0° |
| P | OP4 | C5A | H5A1 | 47.6° | 58.1° |
| P | OP4 | C5A | H5A2 | 75.9° | 58.3° |
| OP3 | P | OP4 | C5A | 154.4° | 54.3° |
| OP4 | C5A | C5 | H5A1 | 120.0° | 120.1° |
| OP4 | C5A | C5 | H5A2 | 116.5° | 120.1° |
| OP4 | C5A | H5A1 | H5A2 | 116.9° | 117.2° |
| OP4 | C5A | C5 | C4 | 105.3° | 90.0° |
| OP4 | C5A | C5 | C6 | 77.5° | 90.0° |
| C5 | C5A | H5A1 | H5A2 | 116.9° | 122.2° |
| C5A | C5 | C4 | C6 | 177.1° | 179.9° |
| C5A | C5 | C6 | N1 | 176.1° | 180.0° |
| C5A | C5 | C6 | H6 | 4.0° | 0.1° |
| C5A | C5 | C4 | C3 | 175.5° | 180.0° |
| C5A | C5 | C4 | C4A | 2.7° | 0.0° |
| H5A1 | C5A | C5 | C4 | 134.7° | 149.9° |
| H5A1 | C5A | C5 | C6 | 42.5° | 30.0° |
| H5A2 | C5A | C5 | C4 | 11.1° | 30.1° |
| H5A2 | C5A | C5 | C6 | 166.0° | 149.9° |
| C4 | C5 | C6 | N1 | 1.1° | 0.1° |
| C4 | C5 | C6 | H6 | 178.8° | 180.0° |
| C5 | C4 | C3 | C2 | 1.2° | 0.1° |
| C5 | C4 | C3 | O3A | 178.3° | 180.0° |
| C5 | C4 | C3 | C4A | 173.2° | 180.0° |
| C5 | C4 | C4A | N | 132.7° | 90.0° |
| C5 | C4 | C4A | H4A1 | 12.7° | 149.6° |
| C5 | C4 | C4A | H4A2 | 112.1° | 30.5° |
| C5 | C6 | N1 | H6 | 180.0° | 179.9° |
| C5 | C6 | N1 | C2 | 0.0° | 0.1° |
| C6 | C5 | C4 | C3 | 1.7° | 0.0° |
| C6 | C5 | C4 | C4A | 174.4° | 180.0° |
| C6 | N1 | C2 | C3 | 0.5° | 0.1° |
| C6 | N1 | C2 | C2A | 179.2° | 180.0° |
| H6 | C6 | N1 | C2 | 180.0° | 180.0° |
| N1 | C2 | C3 | C2A | 179.8° | 180.0° |
| N1 | C2 | C2A | H2A1 | 131.0° | 164.9° |
| N1 | C2 | C2A | H2A2 | 11.0° | 44.4° |
| N1 | C2 | C2A | H2A3 | 108.9° | 74.6° |
| N1 | C2 | C3 | O3A | 179.4° | 180.0° |
| N1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C3 | C2 | C2A | H2A1 | 48.7° | 15.2° |
| C3 | C2 | C2A | H2A2 | 168.7° | 135.7° |
| C3 | C2 | C2A | H2A3 | 71.3° | 105.3° |
| C2 | C3 | O3A | C4 | 179.5° | 179.9° |
| C2 | C3 | O3A | HO3A | 90.3° | 51.3° |
| C2 | C3 | C4 | C4A | 174.4° | 180.0° |
| C2 | C2A | H2A1 | H2A2 | 120.0° | 122.1° |
| C2 | C2A | H2A1 | H2A3 | 120.0° | 122.1° |
| C2 | C2A | H2A2 | H2A3 | 120.0° | 121.6° |
| C2A | C2 | C3 | O3A | 0.3° | 0.0° |
| C2A | C2 | C3 | C4 | 179.9° | 180.0° |
| H2A1 | C2A | H2A2 | H2A3 | 120.0° | 116.9° |
| O3A | C3 | C4 | C4A | 5.1° | 0.1° |
| C4 | C3 | O3A | HO3A | 90.2° | 128.7° |
| C3 | C4 | C4A | N | 39.8° | 90.0° |
| C3 | C4 | C4A | H4A1 | 159.8° | 30.4° |
| C3 | C4 | C4A | H4A2 | 75.3° | 149.4° |
| C4 | C4A | N | H4A1 | 120.0° | 122.4° |
| C4 | C4A | N | H4A2 | 115.1° | 122.7° |
| C4 | C4A | H4A1 | H4A2 | 115.9° | 121.6° |
| C4 | C4A | N | CA | 177.6° | 120.0° |
| C4 | C4A | N | HN | 62.4° | 60.0° |
| N | C4A | H4A1 | H4A2 | 115.8° | 115.2° |
| C4A | N | CA | HN | 120.0° | 179.9° |
| C4A | N | CA | C | 176.0° | 30.1° |
| C4A | N | CA | CB | 7.3° | 150.0° |
| H4A1 | C4A | N | CA | 57.6° | 2.4° |
| H4A1 | C4A | N | HN | 177.6° | 177.7° |
| H4A2 | C4A | N | CA | 67.3° | 117.3° |
| H4A2 | C4A | N | HN | 52.8° | 62.8° |
| N | CA | C | CB | 176.8° | 179.9° |
| N | CA | CB | HB1 | 3.2° | 0.0° |
| N | CA | CB | HB2 | 176.8° | 179.9° |
| N | CA | C | OXT | 172.3° | 29.9° |
| N | CA | C | O | 1.5° | 150.0° |
| HN | N | CA | C | 56.0° | 150.0° |
| HN | N | CA | CB | 127.3° | 30.0° |
| C | CA | CB | HB1 | 180.0° | 180.0° |
| C | CA | CB | HB2 | 0.0° | 0.0° |
| CA | C | OXT | O | 173.4° | 179.9° |
| CA | C | O | HO | 173.7° | 179.9° |
| CA | CB | HB1 | HB2 | 180.0° | 180.0° |
| CB | CA | C | OXT | 4.5° | 150.0° |
| CB | CA | C | O | 178.3° | 30.0° |
| OXT | C | O | HO | 0.0° | 0.0° |
