P0L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C3 | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| O | C | doub | 1.21Å | 1.22Å | |
| P1 | O4 | sing | 1.61Å | 1.62Å | |
| P1 | O3 | sing | 1.61Å | 1.48Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| O2 | P1 | doub | 1.48Å | 1.47Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C3 | P1 | sing | 1.82Å | 1.83Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C | sing | 1.51Å | 1.58Å | |
| C4 | C6 | sing | 1.53Å | 1.58Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| C5 | C3 | sing | 1.53Å | 1.54Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C9 | sing | 1.51Å | 1.52Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | C2 | doub | 1.38Å | 1.43Å | Aromatic |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | C5 | sing | 1.53Å | 1.54Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C9 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | C8 | sing | 1.53Å | 1.53Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | C8 | sing | 1.53Å | 1.52Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N | H | 109.5° | 111.0° |
| N | C3 | P1 | 104.6° | 109.5° |
| N | C3 | H4 | 111.6° | 109.5° |
| N | C3 | C5 | 113.7° | 109.5° |
| C3 | N | H2 | 109.5° | 111.0° |
| H | N | H2 | 109.5° | 111.0° |
| O | C | C4 | 118.2° | 120.0° |
| O | C | OXT | 108.7° | 120.0° |
| O4 | P1 | O3 | 114.1° | 109.4° |
| O4 | P1 | O2 | 108.0° | 109.5° |
| O4 | P1 | C3 | 108.7° | 109.5° |
| P1 | O4 | C4 | 127.1° | 123.0° |
| O3 | P1 | O2 | 115.6° | 109.5° |
| P1 | O3 | H3 | 109.5° | 114.0° |
| O3 | P1 | C3 | 103.3° | 109.5° |
| H1 | C2 | C7 | 119.8° | 120.0° |
| H1 | C2 | C14 | 119.8° | 120.0° |
| O2 | P1 | C3 | 106.6° | 109.5° |
| P1 | C3 | H4 | 111.5° | 109.5° |
| P1 | C3 | C5 | 113.6° | 109.5° |
| H4 | C3 | C5 | 102.1° | 109.4° |
| C | C4 | C6 | 122.7° | 109.5° |
| C | C4 | H5 | 99.0° | 109.5° |
| C | C4 | O4 | 108.3° | 109.5° |
| C4 | C | OXT | 133.1° | 120.0° |
| C6 | C4 | H5 | 105.8° | 109.4° |
| C6 | C4 | O4 | 101.8° | 109.5° |
| C4 | C6 | C9 | 110.2° | 109.5° |
| C4 | C6 | H8 | 109.2° | 109.4° |
| C4 | C6 | H9 | 109.2° | 109.5° |
| H5 | C4 | O4 | 120.8° | 109.5° |
| C3 | C5 | H6 | 108.9° | 109.5° |
| C3 | C5 | H7 | 108.9° | 109.5° |
| C3 | C5 | C8 | 111.2° | 109.5° |
| H6 | C5 | H7 | 110.0° | 109.5° |
| H6 | C5 | C8 | 108.9° | 109.5° |
| H7 | C5 | C8 | 108.9° | 109.5° |
| C9 | C6 | H8 | 109.2° | 109.5° |
| C9 | C6 | H9 | 109.2° | 109.5° |
| C6 | C9 | C10 | 118.9° | 120.0° |
| C6 | C9 | C13 | 119.8° | 120.0° |
| H8 | C6 | H9 | 109.7° | 109.4° |
| C2 | C7 | H10 | 120.2° | 120.0° |
| C2 | C7 | C10 | 119.7° | 120.0° |
| C7 | C2 | C14 | 120.5° | 120.0° |
| H10 | C7 | C10 | 120.1° | 120.0° |
| C5 | C8 | H11 | 107.9° | 109.5° |
| C5 | C8 | C11 | 112.5° | 109.5° |
| C5 | C8 | C12 | 108.9° | 109.5° |
| H11 | C8 | C11 | 107.0° | 109.5° |
| H11 | C8 | C12 | 110.7° | 109.5° |
| C10 | C9 | C13 | 121.0° | 120.0° |
| C9 | C10 | C7 | 119.5° | 120.0° |
| C9 | C10 | H12 | 120.2° | 120.0° |
| C9 | C13 | C14 | 119.1° | 120.0° |
| C9 | C13 | H19 | 120.4° | 120.0° |
| C7 | C10 | H12 | 120.2° | 120.0° |
| C8 | C11 | H13 | 109.5° | 109.5° |
| C8 | C11 | H14 | 109.5° | 109.4° |
| C8 | C11 | H15 | 109.5° | 109.5° |
| C11 | C8 | C12 | 109.8° | 109.4° |
| H13 | C11 | H14 | 109.4° | 109.5° |
| H13 | C11 | H15 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| C8 | C12 | H16 | 109.5° | 109.5° |
| C8 | C12 | H17 | 109.5° | 109.5° |
| C8 | C12 | H18 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.4° | 109.4° |
| H16 | C12 | H18 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| C14 | C13 | H19 | 120.4° | 120.0° |
| C13 | C14 | C2 | 120.1° | 120.0° |
| C13 | C14 | H20 | 119.9° | 120.0° |
| C2 | C14 | H20 | 120.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N | H | H2 | 120.0° | 123.9° |
| N | C3 | P1 | O4 | 60.3° | 55.0° |
| N | C3 | P1 | O3 | 178.1° | 175.0° |
| N | C3 | P1 | O2 | 55.9° | 65.0° |
| N | C3 | P1 | H4 | 120.7° | 120.1° |
| N | C3 | P1 | C5 | 124.5° | 120.0° |
| N | C3 | H4 | C5 | 121.7° | 120.0° |
| N | C3 | C5 | H6 | 63.4° | 60.0° |
| N | C3 | C5 | H7 | 176.7° | 60.0° |
| N | C3 | C5 | C8 | 56.6° | 180.0° |
| H | N | C3 | P1 | 180.0° | 60.0° |
| H | N | C3 | H4 | 59.3° | 179.9° |
| H | N | C3 | C5 | 55.5° | 60.0° |
| O | C | C4 | OXT | 180.0° | 179.6° |
| O | C | C4 | C6 | 58.5° | 114.7° |
| O | C | C4 | H5 | 173.9° | 125.3° |
| O | C | C4 | O4 | 59.4° | 5.3° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| O4 | P1 | O3 | O2 | 126.1° | 120.0° |
| O4 | P1 | O3 | C3 | 117.8° | 120.0° |
| O4 | P1 | O2 | C3 | 116.7° | 120.0° |
| O4 | P1 | O3 | H3 | 126.1° | 60.0° |
| O4 | P1 | C3 | H4 | 60.4° | 65.0° |
| P1 | O4 | C4 | C | 82.5° | 120.0° |
| P1 | O4 | C4 | C6 | 146.9° | 120.0° |
| P1 | O4 | C4 | H5 | 30.3° | 0.1° |
| O4 | P1 | C3 | C5 | 175.2° | 175.0° |
| O3 | P1 | O2 | C3 | 114.1° | 120.0° |
| O3 | P1 | C3 | H4 | 61.1° | 54.9° |
| O3 | P1 | O4 | C4 | 29.8° | 65.0° |
| O3 | P1 | C3 | C5 | 53.6° | 65.0° |
| H1 | C2 | C7 | C14 | 180.0° | 179.8° |
| H1 | C2 | C7 | H10 | 0.3° | 0.0° |
| H1 | C2 | C7 | C10 | 179.7° | 180.0° |
| H1 | C2 | C14 | C13 | 179.0° | 179.9° |
| H1 | C2 | C14 | H20 | 1.0° | 0.1° |
| O2 | P1 | O3 | H3 | 0.0° | 180.0° |
| O2 | P1 | C3 | H4 | 176.6° | 175.0° |
| O2 | P1 | O4 | C4 | 100.2° | 55.0° |
| O2 | P1 | C3 | C5 | 68.6° | 55.0° |
| H3 | O3 | P1 | C3 | 116.0° | 60.0° |
| P1 | C3 | H4 | C5 | 121.7° | 120.0° |
| C3 | P1 | O4 | C4 | 144.5° | 175.0° |
| P1 | C3 | C5 | H6 | 56.1° | 180.0° |
| P1 | C3 | C5 | H7 | 63.9° | 60.0° |
| P1 | C3 | C5 | C8 | 176.1° | 60.0° |
| P1 | C3 | N | H2 | 60.0° | 176.1° |
| H4 | C3 | C5 | H6 | 176.3° | 60.0° |
| H4 | C3 | C5 | H7 | 56.4° | 180.0° |
| H4 | C3 | C5 | C8 | 63.7° | 60.0° |
| H4 | C3 | N | H2 | 60.7° | 56.0° |
| C | C4 | C6 | H5 | 111.9° | 120.0° |
| C | C4 | C6 | O4 | 121.0° | 120.0° |
| C | C4 | H5 | O4 | 117.6° | 120.0° |
| C | C4 | C6 | C9 | 49.8° | 175.0° |
| C | C4 | C6 | H8 | 169.8° | 65.0° |
| C | C4 | C6 | H9 | 70.2° | 54.9° |
| C4 | C | OXT | HXT | 179.9° | 179.7° |
| C6 | C4 | H5 | O4 | 114.6° | 119.9° |
| C4 | C6 | C9 | H8 | 120.0° | 120.0° |
| C4 | C6 | C9 | H9 | 120.0° | 120.0° |
| C4 | C6 | H8 | H9 | 119.7° | 119.9° |
| C4 | C6 | C9 | C10 | 90.0° | 90.0° |
| C4 | C6 | C9 | C13 | 96.1° | 89.8° |
| C6 | C4 | C | OXT | 121.5° | 65.0° |
| H5 | C4 | C6 | C9 | 62.1° | 55.0° |
| H5 | C4 | C6 | H8 | 57.9° | 175.0° |
| H5 | C4 | C6 | H9 | 177.9° | 65.1° |
| H5 | C4 | C | OXT | 6.1° | 55.0° |
| O4 | C4 | C6 | C9 | 170.8° | 65.0° |
| O4 | C4 | C6 | H8 | 69.2° | 55.1° |
| O4 | C4 | C6 | H9 | 50.9° | 174.9° |
| O4 | C4 | C | OXT | 120.6° | 175.0° |
| C3 | C5 | H6 | H7 | 119.3° | 120.0° |
| C3 | C5 | H6 | C8 | 121.4° | 120.0° |
| C3 | C5 | H7 | C8 | 121.4° | 120.0° |
| C3 | C5 | C8 | H11 | 46.6° | 55.0° |
| C3 | C5 | C8 | C11 | 71.2° | 65.0° |
| C3 | C5 | C8 | C12 | 166.8° | 175.0° |
| C5 | C3 | N | H2 | 175.5° | 63.9° |
| H6 | C5 | H7 | C8 | 119.3° | 120.0° |
| H6 | C5 | C8 | H11 | 73.4° | 175.0° |
| H6 | C5 | C8 | C11 | 168.8° | 55.0° |
| H6 | C5 | C8 | C12 | 46.8° | 65.0° |
| H7 | C5 | C8 | H11 | 166.6° | 65.0° |
| H7 | C5 | C8 | C11 | 48.8° | 175.0° |
| H7 | C5 | C8 | C12 | 73.2° | 55.0° |
| C9 | C6 | H8 | H9 | 119.7° | 120.1° |
| C6 | C9 | C10 | C13 | 173.8° | 179.8° |
| C6 | C9 | C10 | C7 | 173.3° | 179.9° |
| C6 | C9 | C10 | H12 | 6.7° | 0.0° |
| C6 | C9 | C13 | C14 | 172.0° | 180.0° |
| C6 | C9 | C13 | H19 | 8.0° | 0.1° |
| H8 | C6 | C9 | C10 | 150.0° | 30.0° |
| H8 | C6 | C9 | C13 | 23.9° | 150.2° |
| H9 | C6 | C9 | C10 | 30.0° | 150.0° |
| H9 | C6 | C9 | C13 | 143.9° | 30.3° |
| C2 | C7 | H10 | C10 | 180.0° | 180.0° |
| C2 | C7 | C10 | C9 | 0.6° | 0.1° |
| C2 | C7 | C10 | H12 | 179.4° | 180.0° |
| C7 | C2 | C14 | C13 | 0.9° | 0.3° |
| C7 | C2 | C14 | H20 | 179.0° | 179.7° |
| H10 | C7 | C10 | C9 | 179.4° | 179.9° |
| H10 | C7 | C10 | H12 | 0.6° | 0.0° |
| H10 | C7 | C2 | C14 | 179.6° | 179.8° |
| C5 | C8 | H11 | C11 | 121.3° | 120.0° |
| C5 | C8 | H11 | C12 | 119.1° | 120.0° |
| C5 | C8 | C11 | C12 | 121.5° | 120.0° |
| C5 | C8 | C11 | H13 | 180.0° | 180.0° |
| C5 | C8 | C11 | H14 | 60.0° | 60.0° |
| C5 | C8 | C11 | H15 | 60.0° | 59.9° |
| C5 | C8 | C12 | H16 | 180.0° | 60.0° |
| C5 | C8 | C12 | H17 | 60.0° | 180.0° |
| C5 | C8 | C12 | H18 | 60.0° | 60.0° |
| H11 | C8 | C11 | C12 | 120.2° | 119.9° |
| H11 | C8 | C11 | H13 | 61.7° | 59.9° |
| H11 | C8 | C11 | H14 | 178.3° | 60.1° |
| H11 | C8 | C11 | H15 | 58.3° | 180.0° |
| H11 | C8 | C12 | H16 | 61.5° | 60.0° |
| H11 | C8 | C12 | H17 | 58.5° | 59.9° |
| H11 | C8 | C12 | H18 | 178.4° | 180.0° |
| C9 | C10 | C7 | H12 | 180.0° | 179.9° |
| C10 | C9 | C13 | C14 | 1.8° | 0.2° |
| C10 | C9 | C13 | H19 | 178.2° | 179.7° |
| C13 | C9 | C10 | C7 | 0.5° | 0.3° |
| C13 | C9 | C10 | H12 | 179.5° | 179.8° |
| C9 | C13 | C14 | H19 | 180.0° | 179.9° |
| C9 | C13 | C14 | C2 | 2.0° | 0.1° |
| C9 | C13 | C14 | H20 | 178.0° | 179.9° |
| C10 | C7 | C2 | C14 | 0.4° | 0.2° |
| C8 | C11 | H13 | H14 | 120.0° | 120.0° |
| C8 | C11 | H13 | H15 | 120.0° | 120.0° |
| C8 | C11 | H14 | H15 | 120.0° | 119.9° |
| C11 | C8 | C12 | H16 | 56.4° | 180.0° |
| C11 | C8 | C12 | H17 | 176.4° | 60.0° |
| C11 | C8 | C12 | H18 | 63.7° | 60.0° |
| H13 | C11 | H14 | H15 | 120.0° | 120.1° |
| H13 | C11 | C8 | C12 | 58.5° | 60.0° |
| H14 | C11 | C8 | C12 | 61.5° | 180.0° |
| H15 | C11 | C8 | C12 | 178.5° | 60.1° |
| C8 | C12 | H16 | H17 | 120.0° | 120.0° |
| C8 | C12 | H16 | H18 | 120.0° | 120.0° |
| C8 | C12 | H17 | H18 | 120.0° | 120.0° |
| H16 | C12 | H17 | H18 | 120.0° | 120.0° |
| C13 | C14 | C2 | H20 | 180.0° | 180.0° |
| H19 | C13 | C14 | C2 | 178.0° | 180.0° |
| H19 | C13 | C14 | H20 | 2.0° | 0.0° |
