L0S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | O12 | sing | 1.43Å | 1.40Å | |
| O12 | P09 | sing | 1.61Å | 1.65Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| P09 | N08 | sing | 1.64Å | 1.70Å | |
| P09 | O11 | doub | 1.48Å | 1.46Å | |
| N08 | C06 | doub | 1.29Å | 1.25Å | |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C06 | N03 | sing | 1.37Å | 1.45Å | |
| N03 | C04 | sing | 1.47Å | 1.45Å | |
| N03 | C02 | sing | 1.47Å | 1.45Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| P09 | C14 | sing | 1.82Å | 1.13Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | O12 | P09 | 118.5° | 123.0° |
| O12 | C13 | H1 | 109.5° | 109.5° |
| O12 | C13 | H2 | 109.5° | 109.4° |
| O12 | C13 | H3 | 109.4° | 109.4° |
| O12 | P09 | N08 | 109.5° | 109.5° |
| O12 | P09 | O11 | 109.5° | 109.5° |
| O12 | P09 | C14 | 103.7° | 109.4° |
| C01 | C02 | N03 | 110.4° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.4° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C01 | C02 | H7 | 109.2° | 109.4° |
| C01 | C02 | H8 | 109.2° | 109.5° |
| N08 | P09 | O11 | 109.5° | 109.5° |
| P09 | N08 | C06 | 121.6° | 120.0° |
| N08 | P09 | C14 | 106.8° | 109.4° |
| O11 | P09 | C14 | 117.6° | 109.4° |
| N08 | C06 | C07 | 121.0° | 120.0° |
| N08 | C06 | N03 | 119.5° | 120.0° |
| C07 | C06 | N03 | 119.5° | 120.0° |
| C06 | C07 | H14 | 109.5° | 109.5° |
| C06 | C07 | H15 | 109.4° | 109.5° |
| C06 | C07 | H16 | 109.5° | 109.5° |
| C06 | N03 | C04 | 120.0° | 120.0° |
| C06 | N03 | C02 | 120.0° | 120.0° |
| C04 | N03 | C02 | 120.0° | 120.0° |
| N03 | C04 | C05 | 110.4° | 109.4° |
| N03 | C04 | H9 | 109.2° | 109.4° |
| N03 | C04 | H10 | 109.2° | 109.5° |
| N03 | C02 | H7 | 109.3° | 109.5° |
| N03 | C02 | H8 | 109.3° | 109.5° |
| C05 | C04 | H9 | 109.2° | 109.5° |
| C05 | C04 | H10 | 109.2° | 109.5° |
| C04 | C05 | H11 | 109.5° | 109.5° |
| C04 | C05 | H12 | 109.4° | 109.5° |
| C04 | C05 | H13 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H1 | C13 | H3 | 109.5° | 109.5° |
| H2 | C13 | H3 | 109.4° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.4° | 109.5° |
| H7 | C02 | H8 | 109.5° | 109.5° |
| H9 | C04 | H10 | 109.5° | 109.5° |
| H11 | C05 | H12 | 109.5° | 109.5° |
| H11 | C05 | H13 | 109.5° | 109.5° |
| H12 | C05 | H13 | 109.5° | 109.4° |
| H14 | C07 | H15 | 109.5° | 109.4° |
| H14 | C07 | H16 | 109.4° | 109.5° |
| H15 | C07 | H16 | 109.5° | 109.5° |
| P09 | C14 | H17 | 109.5° | 109.5° |
| P09 | C14 | H18 | 109.5° | 109.4° |
| P09 | C14 | H19 | 109.4° | 109.5° |
| H17 | C14 | H18 | 109.4° | 109.5° |
| H17 | C14 | H19 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | O12 | P09 | N08 | 163.8° | 180.0° |
| C13 | O12 | P09 | O11 | 43.8° | 59.9° |
| O12 | C13 | H1 | H2 | 120.0° | 120.0° |
| O12 | C13 | H1 | H3 | 120.0° | 120.0° |
| O12 | C13 | H2 | H3 | 120.0° | 119.9° |
| C13 | O12 | P09 | C14 | 82.5° | 60.1° |
| O12 | P09 | N08 | O11 | 120.0° | 120.1° |
| O12 | P09 | N08 | C14 | 111.7° | 119.9° |
| O12 | P09 | O11 | C14 | 117.9° | 120.0° |
| O12 | P09 | N08 | C06 | 54.9° | 78.3° |
| P09 | O12 | C13 | H1 | 180.0° | 59.9° |
| P09 | O12 | C13 | H2 | 60.0° | 60.1° |
| P09 | O12 | C13 | H3 | 60.0° | 180.0° |
| O12 | P09 | C14 | H17 | 180.0° | 60.0° |
| O12 | P09 | C14 | H18 | 60.0° | 180.0° |
| O12 | P09 | C14 | H19 | 60.0° | 60.0° |
| C01 | C02 | N03 | C06 | 98.9° | 90.0° |
| C01 | C02 | N03 | C04 | 81.0° | 90.0° |
| C01 | C02 | N03 | H7 | 120.1° | 120.0° |
| C01 | C02 | N03 | H8 | 120.1° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | C02 | H7 | H8 | 119.5° | 120.0° |
| N08 | P09 | O11 | C14 | 122.0° | 120.0° |
| P09 | N08 | C06 | C07 | 0.0° | 6.0° |
| P09 | N08 | C06 | N03 | 180.0° | 173.9° |
| N08 | P09 | C14 | H17 | 64.4° | 180.0° |
| N08 | P09 | C14 | H18 | 55.6° | 60.0° |
| N08 | P09 | C14 | H19 | 175.6° | 60.0° |
| O11 | P09 | N08 | C06 | 65.2° | 41.8° |
| O11 | P09 | C14 | H17 | 59.1° | 60.0° |
| O11 | P09 | C14 | H18 | 179.0° | 60.0° |
| O11 | P09 | C14 | H19 | 61.0° | 180.0° |
| N08 | C06 | C07 | N03 | 180.0° | 179.9° |
| N08 | C06 | N03 | C04 | 0.0° | 180.0° |
| N08 | C06 | N03 | C02 | 180.0° | 0.1° |
| N08 | C06 | C07 | H14 | 180.0° | 93.7° |
| N08 | C06 | C07 | H15 | 60.0° | 26.3° |
| N08 | C06 | C07 | H16 | 60.0° | 146.3° |
| C06 | N08 | P09 | C14 | 166.6° | 161.8° |
| C07 | C06 | N03 | C04 | 180.0° | 0.0° |
| C07 | C06 | N03 | C02 | 0.0° | 180.0° |
| C06 | C07 | H14 | H15 | 120.0° | 120.0° |
| C06 | C07 | H14 | H16 | 120.0° | 120.0° |
| C06 | C07 | H15 | H16 | 120.0° | 120.0° |
| C06 | N03 | C04 | C02 | 180.0° | 180.0° |
| C06 | N03 | C04 | C05 | 99.4° | 89.9° |
| C06 | N03 | C02 | H7 | 21.2° | 29.9° |
| C06 | N03 | C02 | H8 | 140.9° | 150.0° |
| C06 | N03 | C04 | H9 | 140.5° | 30.0° |
| C06 | N03 | C04 | H10 | 20.7° | 150.0° |
| N03 | C06 | C07 | H14 | 0.0° | 86.2° |
| N03 | C06 | C07 | H15 | 120.0° | 153.8° |
| N03 | C06 | C07 | H16 | 120.0° | 33.8° |
| N03 | C04 | C05 | H9 | 120.1° | 119.9° |
| N03 | C04 | C05 | H10 | 120.1° | 120.0° |
| C04 | N03 | C02 | H7 | 158.9° | 150.0° |
| C04 | N03 | C02 | H8 | 39.1° | 30.0° |
| N03 | C04 | H9 | H10 | 119.6° | 120.0° |
| N03 | C04 | C05 | H11 | 180.0° | 60.0° |
| N03 | C04 | C05 | H12 | 60.0° | 60.0° |
| N03 | C04 | C05 | H13 | 60.0° | 180.0° |
| C02 | N03 | C04 | C05 | 80.6° | 90.0° |
| N03 | C02 | C01 | H4 | 180.0° | 60.0° |
| N03 | C02 | C01 | H5 | 60.0° | 60.0° |
| N03 | C02 | C01 | H6 | 60.0° | 180.0° |
| N03 | C02 | H7 | H8 | 119.6° | 120.0° |
| C02 | N03 | C04 | H9 | 39.5° | 150.0° |
| C02 | N03 | C04 | H10 | 159.2° | 30.0° |
| C05 | C04 | H9 | H10 | 119.6° | 120.1° |
| C04 | C05 | H11 | H12 | 120.0° | 120.0° |
| C04 | C05 | H11 | H13 | 120.0° | 120.0° |
| C04 | C05 | H12 | H13 | 120.0° | 120.0° |
| H1 | C13 | H2 | H3 | 120.0° | 120.1° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H4 | C01 | C02 | H7 | 59.8° | 60.0° |
| H4 | C01 | C02 | H8 | 59.9° | NaN° |
| H5 | C01 | C02 | H7 | 60.2° | 180.0° |
| H5 | C01 | C02 | H8 | 179.9° | 60.0° |
| H6 | C01 | C02 | H7 | 179.9° | 60.0° |
| H6 | C01 | C02 | H8 | 60.2° | 60.0° |
| H9 | C04 | C05 | H11 | 59.9° | 59.9° |
| H9 | C04 | C05 | H12 | 179.9° | 179.9° |
| H9 | C04 | C05 | H13 | 60.2° | 60.1° |
| H10 | C04 | C05 | H11 | 59.9° | 180.0° |
| H10 | C04 | C05 | H12 | 60.1° | 60.0° |
| H10 | C04 | C05 | H13 | 179.9° | 60.0° |
| H11 | C05 | H12 | H13 | 120.0° | 120.0° |
| H14 | C07 | H15 | H16 | 120.0° | 120.0° |
| P09 | C14 | H17 | H18 | 120.0° | 120.0° |
| P09 | C14 | H17 | H19 | 120.0° | 120.0° |
| P09 | C14 | H18 | H19 | 120.0° | 120.0° |
| H17 | C14 | H18 | H19 | 120.0° | 120.0° |
