GPE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O11 | sing | 1.61Å | 1.57Å | |
| P | O12 | sing | 1.61Å | 1.66Å | |
| P | O14 | sing | 1.61Å | 1.62Å | |
| P | O13 | doub | 1.48Å | 1.52Å | |
| O11 | C1 | sing | 1.43Å | 1.48Å | |
| O12 | C11 | sing | 1.43Å | 1.52Å | |
| O14 | HO4 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O21 | sing | 1.43Å | 1.47Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | O31 | sing | 1.43Å | 1.46Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| O31 | HO1 | sing | 0.97Å | 0.95Å | |
| O21 | HO2 | sing | 0.97Å | 0.95Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | N | sing | 1.47Å | 1.48Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | P | O12 | 103.8° | 109.5° |
| O11 | P | O14 | 113.8° | 109.5° |
| O11 | P | O13 | 110.0° | 109.5° |
| P | O11 | C1 | 115.9° | 106.9° |
| O12 | P | O14 | 106.5° | 109.5° |
| O12 | P | O13 | 115.1° | 109.5° |
| P | O12 | C11 | 113.9° | 106.9° |
| O14 | P | O13 | 107.8° | 109.4° |
| P | O14 | HO4 | 113.8° | 106.8° |
| O11 | C1 | C2 | 114.5° | 109.6° |
| O11 | C1 | H11 | 110.4° | 109.5° |
| O11 | C1 | H12 | 110.4° | 109.5° |
| O12 | C11 | C12 | 116.4° | 109.6° |
| O12 | C11 | H111 | 109.7° | 109.5° |
| O12 | C11 | H112 | 109.7° | 109.4° |
| C2 | C1 | H11 | 110.4° | 109.5° |
| C2 | C1 | H12 | 110.4° | 109.4° |
| C1 | C2 | C3 | 96.7° | 109.6° |
| C1 | C2 | O21 | 112.3° | 109.5° |
| C1 | C2 | H2 | 116.2° | 109.4° |
| H11 | C1 | H12 | 99.9° | 109.4° |
| C3 | C2 | O21 | 110.6° | 109.5° |
| C3 | C2 | H2 | 117.7° | 109.5° |
| C2 | C3 | O31 | 118.5° | 109.6° |
| C2 | C3 | H31 | 108.9° | 109.4° |
| C2 | C3 | H32 | 108.9° | 109.4° |
| O21 | C2 | H2 | 103.7° | 109.4° |
| C2 | O21 | HO2 | 112.3° | 106.7° |
| O31 | C3 | H31 | 109.0° | 109.5° |
| O31 | C3 | H32 | 109.0° | 109.5° |
| C3 | O31 | HO1 | 118.4° | 106.9° |
| H31 | C3 | H32 | 101.0° | 109.4° |
| C12 | C11 | H111 | 109.7° | 109.5° |
| C12 | C11 | H112 | 109.7° | 109.4° |
| C11 | C12 | N | 102.7° | 109.5° |
| C11 | C12 | H121 | 114.8° | 109.4° |
| C11 | C12 | H122 | 114.8° | 109.6° |
| H111 | C11 | H112 | 100.5° | 109.5° |
| N | C12 | H121 | 114.7° | 109.4° |
| N | C12 | H122 | 114.7° | 109.5° |
| C12 | N | HN1 | 102.8° | 106.7° |
| C12 | N | HN2 | 114.8° | 106.8° |
| H121 | C12 | H122 | 95.7° | 109.5° |
| HN1 | N | HN2 | 114.8° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | P | O12 | O14 | 120.4° | 120.0° |
| O11 | P | O12 | O13 | 120.2° | 120.0° |
| O11 | P | O14 | O13 | 122.2° | 120.0° |
| O11 | P | O12 | C11 | 160.0° | 180.0° |
| O11 | P | O14 | HO4 | 179.9° | 60.0° |
| P | O11 | C1 | C2 | 116.7° | 180.0° |
| P | O11 | C1 | H11 | 8.6° | 59.9° |
| P | O11 | C1 | H12 | 118.0° | 60.0° |
| O12 | P | O14 | O13 | 124.0° | 120.0° |
| O12 | P | O11 | C1 | 63.3° | 180.0° |
| O12 | P | O14 | HO4 | 66.2° | 60.1° |
| P | O12 | C11 | C12 | 165.6° | 180.0° |
| P | O12 | C11 | H111 | 69.2° | 59.9° |
| P | O12 | C11 | H112 | 40.3° | 60.1° |
| O14 | P | O11 | C1 | 178.7° | 60.0° |
| O14 | P | O12 | C11 | 39.6° | 59.9° |
| O13 | P | O11 | C1 | 60.3° | 60.0° |
| O13 | P | O12 | C11 | 79.8° | 60.0° |
| O13 | P | O14 | HO4 | 57.8° | 180.0° |
| O11 | C1 | C2 | H11 | 125.2° | 120.1° |
| O11 | C1 | C2 | H12 | 125.3° | 120.0° |
| O11 | C1 | H11 | H12 | 116.2° | 119.9° |
| O11 | C1 | C2 | C3 | 174.6° | 180.0° |
| O11 | C1 | C2 | O21 | 59.1° | 60.0° |
| O11 | C1 | C2 | H2 | 60.0° | 60.0° |
| O12 | C11 | C12 | H111 | 125.3° | 120.1° |
| O12 | C11 | C12 | H112 | 125.3° | 119.9° |
| O12 | C11 | H111 | H112 | 115.5° | 119.9° |
| O12 | C11 | C12 | N | 159.8° | 59.9° |
| O12 | C11 | C12 | H121 | 34.5° | 60.0° |
| O12 | C11 | C12 | H122 | 75.0° | 180.0° |
| C2 | C1 | H11 | H12 | 116.3° | 119.9° |
| C1 | C2 | C3 | O21 | 116.9° | 120.0° |
| C1 | C2 | C3 | H2 | 124.3° | 120.0° |
| C1 | C2 | O21 | H2 | 126.1° | 119.9° |
| C1 | C2 | C3 | O31 | 166.8° | 180.0° |
| C1 | C2 | C3 | H31 | 67.9° | 59.9° |
| C1 | C2 | C3 | H32 | 41.4° | 59.9° |
| C1 | C2 | O21 | HO2 | 180.0° | 60.1° |
| H11 | C1 | C2 | C3 | 60.2° | 59.9° |
| H11 | C1 | C2 | O21 | 175.7° | 180.0° |
| H11 | C1 | C2 | H2 | 65.3° | 60.1° |
| H12 | C1 | C2 | C3 | 49.3° | 60.0° |
| H12 | C1 | C2 | O21 | 66.2° | 60.1° |
| H12 | C1 | C2 | H2 | 174.8° | 180.0° |
| C3 | C2 | O21 | H2 | 127.1° | 120.0° |
| C2 | C3 | O31 | H31 | 125.3° | 120.0° |
| C2 | C3 | O31 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 114.6° | 119.9° |
| C2 | C3 | O31 | HO1 | 180.0° | 180.0° |
| C3 | C2 | O21 | HO2 | 73.2° | 60.0° |
| O21 | C2 | C3 | O31 | 49.9° | 60.0° |
| O21 | C2 | C3 | H31 | 175.2° | 179.9° |
| O21 | C2 | C3 | H32 | 75.4° | 60.1° |
| H2 | C2 | C3 | O31 | 69.0° | 60.0° |
| H2 | C2 | C3 | H31 | 56.4° | 60.1° |
| H2 | C2 | C3 | H32 | 165.7° | 180.0° |
| H2 | C2 | O21 | HO2 | 53.8° | 180.0° |
| O31 | C3 | H31 | H32 | 114.7° | 120.0° |
| H31 | C3 | O31 | HO1 | 54.7° | 59.9° |
| H32 | C3 | O31 | HO1 | 54.7° | 60.0° |
| C12 | C11 | H111 | H112 | 115.4° | 120.0° |
| C11 | C12 | N | H121 | 125.3° | 119.9° |
| C11 | C12 | N | H122 | 125.3° | 120.1° |
| C11 | C12 | H121 | H122 | 120.7° | 120.1° |
| C11 | C12 | N | HN1 | 180.0° | 180.0° |
| C11 | C12 | N | HN2 | 54.7° | 66.1° |
| H111 | C11 | C12 | N | 74.9° | 180.0° |
| H111 | C11 | C12 | H121 | 159.8° | 60.1° |
| H111 | C11 | C12 | H122 | 50.3° | 60.0° |
| H112 | C11 | C12 | N | 34.5° | 60.0° |
| H112 | C11 | C12 | H121 | 90.7° | 179.9° |
| H112 | C11 | C12 | H122 | 159.7° | 60.0° |
| N | C12 | H121 | H122 | 120.6° | 120.0° |
| C12 | N | HN1 | HN2 | 125.3° | 113.9° |
| H121 | C12 | N | HN1 | 54.8° | 60.1° |
| H121 | C12 | N | HN2 | 70.5° | 53.8° |
| H122 | C12 | N | HN1 | 54.7° | 59.8° |
| H122 | C12 | N | HN2 | 180.0° | 173.8° |
