LSP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C12 | sing | 1.47Å | 1.51Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| N | HN3 | sing | 1.01Å | 1.00Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | O13 | sing | 1.43Å | 1.43Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| P | O12 | doub | 1.48Å | 1.48Å | |
| P | O14 | sing | 1.61Å | 1.48Å | |
| P | O11 | sing | 1.61Å | 1.60Å | |
| P | O13 | sing | 1.61Å | 1.61Å | |
| O14 | H14 | sing | 0.97Å | 0.95Å | |
| O11 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | O21 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| C3 | O31 | sing | 1.45Å | 1.44Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| O31 | C31 | sing | 1.34Å | 1.34Å | |
| C31 | O32 | doub | 1.21Å | 1.22Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N | HN1 | 109.4° | 109.5° |
| C12 | N | HN2 | 109.5° | 109.5° |
| C12 | N | HN3 | 109.5° | 109.5° |
| N | C12 | C11 | 110.4° | 109.5° |
| N | C12 | H121 | 109.0° | 109.4° |
| N | C12 | H122 | 109.2° | 109.5° |
| HN1 | N | HN2 | 109.5° | 109.5° |
| HN1 | N | HN3 | 109.4° | 109.5° |
| HN2 | N | HN3 | 109.5° | 109.5° |
| C11 | C12 | H121 | 109.0° | 109.4° |
| C11 | C12 | H122 | 109.2° | 109.5° |
| C12 | C11 | O13 | 110.3° | 109.5° |
| C12 | C11 | H111 | 109.0° | 109.5° |
| C12 | C11 | H112 | 109.2° | 109.5° |
| H121 | C12 | H122 | 110.1° | 109.5° |
| O13 | C11 | H111 | 109.0° | 109.5° |
| O13 | C11 | H112 | 109.2° | 109.5° |
| C11 | O13 | P | 122.8° | 106.8° |
| H111 | C11 | H112 | 110.2° | 109.5° |
| O12 | P | O14 | 117.4° | 109.5° |
| O12 | P | O11 | 108.9° | 109.5° |
| O12 | P | O13 | 109.8° | 109.5° |
| O14 | P | O11 | 108.8° | 109.5° |
| O14 | P | O13 | 109.1° | 109.5° |
| P | O14 | H14 | 109.5° | 106.8° |
| O11 | P | O13 | 101.6° | 109.4° |
| P | O11 | C1 | 121.5° | 106.8° |
| O11 | C1 | C2 | 109.9° | 109.5° |
| O11 | C1 | H11 | 109.2° | 109.4° |
| O11 | C1 | H12 | 109.3° | 109.4° |
| C2 | C1 | H11 | 109.2° | 109.5° |
| C2 | C1 | H12 | 109.3° | 109.5° |
| C1 | C2 | O21 | 109.8° | 109.5° |
| C1 | C2 | C3 | 112.7° | 109.5° |
| C1 | C2 | H2 | 106.8° | 109.4° |
| H11 | C1 | H12 | 109.8° | 109.5° |
| O21 | C2 | C3 | 108.9° | 109.5° |
| O21 | C2 | H2 | 110.8° | 109.5° |
| C2 | O21 | H21 | 109.5° | 106.8° |
| C3 | C2 | H2 | 107.8° | 109.5° |
| C2 | C3 | O31 | 109.8° | 109.4° |
| C2 | C3 | H31 | 109.3° | 109.5° |
| C2 | C3 | H32 | 109.4° | 109.5° |
| O31 | C3 | H31 | 109.3° | 109.5° |
| O31 | C3 | H32 | 109.4° | 109.5° |
| C3 | O31 | C31 | 112.0° | 120.0° |
| H31 | C3 | H32 | 109.7° | 109.5° |
| O31 | C31 | O32 | 125.6° | 120.0° |
| O31 | C31 | C32 | 109.6° | 120.0° |
| O32 | C31 | C32 | 124.9° | 120.0° |
| C31 | C32 | H321 | 109.5° | 109.4° |
| C31 | C32 | H322 | 109.5° | 109.5° |
| C31 | C32 | H323 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.4° |
| H321 | C32 | H323 | 109.4° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | N | HN1 | HN2 | 120.0° | 120.0° |
| C12 | N | HN1 | HN3 | 120.0° | 120.0° |
| C12 | N | HN2 | HN3 | 120.0° | 120.0° |
| N | C12 | C11 | H121 | 119.6° | 119.9° |
| N | C12 | C11 | H122 | 120.0° | 120.0° |
| N | C12 | H121 | H122 | 119.7° | 120.0° |
| N | C12 | C11 | O13 | 129.0° | 65.0° |
| N | C12 | C11 | H111 | 111.4° | 55.0° |
| N | C12 | C11 | H112 | 9.0° | 175.0° |
| HN1 | N | HN2 | HN3 | 120.0° | 120.0° |
| HN1 | N | C12 | C11 | 53.8° | 60.0° |
| HN1 | N | C12 | H121 | 173.4° | 180.0° |
| HN1 | N | C12 | H122 | 66.3° | 60.0° |
| HN2 | N | C12 | C11 | 173.8° | 60.0° |
| HN2 | N | C12 | H121 | 66.6° | 60.0° |
| HN2 | N | C12 | H122 | 53.8° | 180.0° |
| HN3 | N | C12 | C11 | 66.2° | 180.0° |
| HN3 | N | C12 | H121 | 53.5° | 60.0° |
| HN3 | N | C12 | H122 | 173.8° | 60.0° |
| C11 | C12 | H121 | H122 | 119.8° | 120.0° |
| C12 | C11 | O13 | H111 | 119.6° | 120.0° |
| C12 | C11 | O13 | H112 | 120.0° | 120.0° |
| C12 | C11 | H111 | H112 | 119.8° | 120.0° |
| C12 | C11 | O13 | P | 119.7° | 180.0° |
| H121 | C12 | C11 | O13 | 9.4° | 175.1° |
| H121 | C12 | C11 | H111 | 129.0° | 64.9° |
| H121 | C12 | C11 | H112 | 110.6° | 55.1° |
| H122 | C12 | C11 | O13 | 111.0° | 55.0° |
| H122 | C12 | C11 | H111 | 8.6° | 175.0° |
| H122 | C12 | C11 | H112 | 129.0° | 65.0° |
| O13 | C11 | H111 | H112 | 119.8° | 120.0° |
| C11 | O13 | P | O12 | 9.8° | 55.0° |
| C11 | O13 | P | O14 | 139.8° | 65.0° |
| C11 | O13 | P | O11 | 105.5° | 175.0° |
| H111 | C11 | O13 | P | 0.0° | 60.0° |
| H112 | C11 | O13 | P | 120.4° | 60.0° |
| O12 | P | O14 | O11 | 124.2° | 120.0° |
| O12 | P | O14 | O13 | 125.8° | 120.0° |
| O12 | P | O11 | O13 | 115.9° | 120.0° |
| O12 | P | O14 | H14 | 45.2° | 180.0° |
| O12 | P | O11 | C1 | 31.9° | 55.0° |
| O14 | P | O11 | O13 | 115.0° | 120.0° |
| O14 | P | O11 | C1 | 160.9° | 65.0° |
| O11 | P | O14 | H14 | 79.0° | 60.0° |
| P | O11 | C1 | C2 | 158.6° | 180.0° |
| P | O11 | C1 | H11 | 38.7° | 60.0° |
| P | O11 | C1 | H12 | 81.4° | 60.0° |
| O13 | P | O14 | H14 | 171.0° | 60.0° |
| O13 | P | O11 | C1 | 84.0° | 175.0° |
| O11 | C1 | C2 | H11 | 119.8° | 120.0° |
| O11 | C1 | C2 | H12 | 120.0° | 120.0° |
| O11 | C1 | H11 | H12 | 119.9° | 120.0° |
| O11 | C1 | C2 | O21 | 37.0° | 65.0° |
| O11 | C1 | C2 | C3 | 158.6° | 175.0° |
| O11 | C1 | C2 | H2 | 83.2° | 55.0° |
| C2 | C1 | H11 | H12 | 119.9° | 120.0° |
| C1 | C2 | O21 | C3 | 123.9° | 120.0° |
| C1 | C2 | O21 | H2 | 117.8° | 120.0° |
| C1 | C2 | C3 | H2 | 117.6° | 119.9° |
| C1 | C2 | O21 | H21 | 78.4° | 60.0° |
| C1 | C2 | C3 | O31 | 69.1° | 175.0° |
| C1 | C2 | C3 | H31 | 171.0° | 55.0° |
| C1 | C2 | C3 | H32 | 50.9° | 65.0° |
| H11 | C1 | C2 | O21 | 156.8° | 175.1° |
| H11 | C1 | C2 | C3 | 81.6° | 55.0° |
| H11 | C1 | C2 | H2 | 36.6° | 64.9° |
| H12 | C1 | C2 | O21 | 83.0° | 55.0° |
| H12 | C1 | C2 | C3 | 38.6° | 65.0° |
| H12 | C1 | C2 | H2 | 156.8° | 175.0° |
| O21 | C2 | C3 | H2 | 120.2° | 120.0° |
| O21 | C2 | C3 | O31 | 53.0° | 65.0° |
| O21 | C2 | C3 | H31 | 66.9° | 175.0° |
| O21 | C2 | C3 | H32 | 173.0° | 55.0° |
| C3 | C2 | O21 | H21 | 45.5° | 60.0° |
| C2 | C3 | O31 | H31 | 119.9° | 120.0° |
| C2 | C3 | O31 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H32 | 119.9° | 120.0° |
| C2 | C3 | O31 | C31 | 161.6° | 180.0° |
| H2 | C2 | O21 | H21 | 163.8° | 180.0° |
| H2 | C2 | C3 | O31 | 173.3° | 55.1° |
| H2 | C2 | C3 | H31 | 53.4° | 65.0° |
| H2 | C2 | C3 | H32 | 66.8° | 175.0° |
| O31 | C3 | H31 | H32 | 119.9° | 120.0° |
| C3 | O31 | C31 | O32 | 70.5° | 0.0° |
| C3 | O31 | C31 | C32 | 109.2° | 180.0° |
| H31 | C3 | O31 | C31 | 41.8° | 60.0° |
| H32 | C3 | O31 | C31 | 78.4° | 60.0° |
| O31 | C31 | O32 | C32 | 179.7° | 180.0° |
| O31 | C31 | C32 | H321 | 29.6° | 90.0° |
| O31 | C31 | C32 | H322 | 149.6° | 30.0° |
| O31 | C31 | C32 | H323 | 90.3° | 150.0° |
| O32 | C31 | C32 | H321 | 150.7° | 90.0° |
| O32 | C31 | C32 | H322 | 30.6° | 150.1° |
| O32 | C31 | C32 | H323 | 89.4° | 30.0° |
| C31 | C32 | H321 | H322 | 120.0° | 120.0° |
| C31 | C32 | H321 | H323 | 120.0° | 120.0° |
| C31 | C32 | H322 | H323 | 120.0° | 120.0° |
| H321 | C32 | H322 | H323 | 120.0° | 120.0° |
