P0K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C12 | doub | 1.21Å | 1.18Å | |
| C12 | C11 | sing | 1.52Å | 1.49Å | |
| C12 | N13 | sing | 1.35Å | 1.45Å | |
| C11 | C10 | sing | 1.52Å | 1.48Å | |
| N13 | C14 | sing | 1.34Å | 1.48Å | |
| C10 | C09 | sing | 1.51Å | 1.52Å | |
| C10 | N15 | doub | 1.30Å | 1.44Å | |
| C14 | N15 | sing | 1.34Å | 1.47Å | |
| C14 | O16 | doub | 1.22Å | 1.18Å | |
| C09 | N02 | sing | 1.47Å | 1.45Å | |
| C01 | N02 | sing | 1.47Å | 1.44Å | |
| N02 | C03 | sing | 1.47Å | 1.46Å | |
| O08 | C07 | sing | 1.34Å | 1.34Å | Aromatic |
| O08 | C04 | sing | 1.34Å | 1.34Å | Aromatic |
| C07 | C06 | doub | 1.35Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.51Å | 1.53Å | |
| C04 | C05 | doub | 1.34Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.41Å | 1.38Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| N13 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C12 | C11 | 120.1° | 121.6° |
| O17 | C12 | N13 | 120.0° | 121.5° |
| C11 | C12 | N13 | 119.8° | 116.9° |
| C12 | C11 | C10 | 118.6° | 116.2° |
| C12 | C11 | H11 | 107.1° | 108.1° |
| C12 | C11 | H12 | 107.2° | 108.0° |
| C12 | N13 | C14 | 121.2° | 121.2° |
| C12 | N13 | H14 | 119.4° | 119.4° |
| C11 | C10 | C09 | 121.6° | 121.0° |
| C11 | C10 | N15 | 121.0° | 118.0° |
| C10 | C11 | H11 | 107.2° | 108.1° |
| C10 | C11 | H12 | 107.1° | 108.1° |
| N13 | C14 | N15 | 118.8° | 124.8° |
| N13 | C14 | O16 | 120.9° | 117.6° |
| C14 | N13 | H14 | 119.4° | 119.4° |
| C09 | C10 | N15 | 117.4° | 121.0° |
| C10 | C09 | N02 | 106.9° | 109.5° |
| C10 | C09 | H9 | 110.1° | 109.4° |
| C10 | C09 | H10 | 110.1° | 109.4° |
| C10 | N15 | C14 | 120.6° | 122.8° |
| N15 | C14 | O16 | 120.3° | 117.6° |
| C09 | N02 | C01 | 108.7° | 111.0° |
| C09 | N02 | C03 | 112.5° | 111.0° |
| N02 | C09 | H9 | 110.1° | 109.5° |
| N02 | C09 | H10 | 110.1° | 109.5° |
| C01 | N02 | C03 | 110.1° | 111.0° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.4° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| N02 | C03 | C04 | 110.0° | 109.5° |
| N02 | C03 | H4 | 109.3° | 109.5° |
| N02 | C03 | H5 | 109.4° | 109.4° |
| C07 | O08 | C04 | 110.5° | 109.5° |
| O08 | C07 | C06 | 107.5° | 108.4° |
| O08 | C07 | H8 | 126.3° | 125.8° |
| O08 | C04 | C03 | 125.9° | 125.8° |
| O08 | C04 | C05 | 107.5° | 108.4° |
| C07 | C06 | C05 | 107.5° | 106.8° |
| C07 | C06 | H7 | 126.2° | 126.5° |
| C06 | C07 | H8 | 126.2° | 125.8° |
| C03 | C04 | C05 | 126.6° | 125.8° |
| C04 | C03 | H4 | 109.4° | 109.5° |
| C04 | C03 | H5 | 109.3° | 109.5° |
| C04 | C05 | C06 | 107.0° | 106.9° |
| C04 | C05 | H6 | 126.5° | 126.6° |
| C06 | C05 | H6 | 126.5° | 126.5° |
| C05 | C06 | H7 | 126.2° | 126.7° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C03 | H5 | 109.4° | 109.4° |
| H9 | C09 | H10 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 108.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C12 | C11 | N13 | 179.9° | 180.0° |
| O17 | C12 | C11 | C10 | 179.4° | 180.0° |
| O17 | C12 | N13 | C14 | 179.8° | 180.0° |
| O17 | C12 | C11 | H11 | 58.1° | 58.3° |
| O17 | C12 | C11 | H12 | 59.3° | 58.4° |
| O17 | C12 | N13 | H14 | 0.2° | 0.0° |
| C12 | C11 | C10 | H11 | 121.3° | 121.7° |
| C12 | C11 | C10 | H12 | 121.3° | 121.5° |
| C11 | C12 | N13 | C14 | 0.3° | 0.0° |
| C12 | C11 | C10 | C09 | 179.2° | 180.0° |
| C12 | C11 | C10 | N15 | 1.8° | 0.3° |
| C12 | C11 | H11 | H12 | 115.9° | 116.7° |
| C11 | C12 | N13 | H14 | 179.7° | 180.0° |
| N13 | C12 | C11 | C10 | 0.7° | 0.0° |
| C12 | N13 | C14 | H14 | 180.0° | 180.0° |
| C12 | N13 | C14 | N15 | 1.0° | 0.3° |
| C12 | N13 | C14 | O16 | 179.3° | 179.7° |
| N13 | C12 | C11 | H11 | 122.0° | 121.7° |
| N13 | C12 | C11 | H12 | 120.6° | 121.6° |
| C11 | C10 | C09 | N15 | 177.4° | 179.7° |
| C11 | C10 | N15 | C14 | 2.6° | 0.6° |
| C11 | C10 | C09 | N02 | 146.7° | 179.7° |
| C11 | C10 | C09 | H9 | 93.7° | 59.7° |
| C11 | C10 | C09 | H10 | 27.1° | 60.3° |
| C10 | C11 | H11 | H12 | 115.9° | 116.8° |
| N13 | C14 | N15 | C10 | 2.2° | 0.6° |
| N13 | C14 | N15 | O16 | 179.7° | 179.4° |
| C09 | C10 | N15 | C14 | 179.9° | 179.7° |
| C10 | C09 | N02 | H9 | 119.6° | 120.0° |
| C10 | C09 | N02 | H10 | 119.6° | 120.0° |
| C10 | C09 | N02 | C01 | 144.7° | 66.1° |
| C10 | C09 | N02 | C03 | 93.2° | 170.0° |
| C10 | C09 | H9 | H10 | 121.2° | 119.9° |
| C09 | C10 | C11 | H11 | 59.5° | 58.3° |
| C09 | C10 | C11 | H12 | 57.9° | 58.5° |
| C10 | N15 | C14 | O16 | 178.1° | 180.0° |
| N15 | C10 | C09 | N02 | 30.8° | 0.0° |
| N15 | C10 | C09 | H9 | 88.9° | 120.0° |
| N15 | C10 | C09 | H10 | 150.4° | 120.0° |
| N15 | C10 | C11 | H11 | 123.1° | 122.0° |
| N15 | C10 | C11 | H12 | 119.5° | 121.2° |
| N15 | C14 | N13 | H14 | 179.0° | 179.7° |
| O16 | C14 | N13 | H14 | 0.7° | 0.3° |
| C09 | N02 | C01 | C03 | 123.6° | 124.0° |
| C09 | N02 | C03 | C04 | 50.8° | 170.0° |
| C09 | N02 | C01 | H1 | 180.0° | 60.0° |
| C09 | N02 | C01 | H2 | 60.0° | 180.0° |
| C09 | N02 | C01 | H3 | 60.0° | 60.0° |
| C09 | N02 | C03 | H4 | 170.9° | 49.9° |
| C09 | N02 | C03 | H5 | 69.3° | 70.0° |
| N02 | C09 | H9 | H10 | 121.2° | 120.1° |
| C01 | N02 | C03 | C04 | 172.1° | 66.0° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C01 | N02 | C03 | H4 | 67.8° | 173.9° |
| C01 | N02 | C03 | H5 | 52.0° | 54.0° |
| C01 | N02 | C09 | H9 | 25.1° | 53.9° |
| C01 | N02 | C09 | H10 | 95.7° | 174.0° |
| N02 | C03 | C04 | O08 | 94.8° | 90.3° |
| N02 | C03 | C04 | H4 | 120.1° | 120.1° |
| N02 | C03 | C04 | H5 | 120.1° | 120.0° |
| N02 | C03 | C04 | C05 | 82.9° | 90.0° |
| C03 | N02 | C01 | H1 | 56.5° | 64.0° |
| C03 | N02 | C01 | H2 | 176.4° | 56.0° |
| C03 | N02 | C01 | H3 | 63.6° | 176.0° |
| N02 | C03 | H4 | H5 | 119.8° | 119.9° |
| C03 | N02 | C09 | H9 | 147.2° | 70.1° |
| C03 | N02 | C09 | H10 | 26.4° | 50.0° |
| O08 | C07 | C06 | H8 | 180.0° | 179.8° |
| C07 | O08 | C04 | C03 | 178.6° | 179.8° |
| C07 | O08 | C04 | C05 | 0.5° | 0.4° |
| O08 | C07 | C06 | C05 | 0.2° | 0.2° |
| O08 | C07 | C06 | H7 | 179.9° | 179.8° |
| C04 | O08 | C07 | C06 | 0.2° | 0.3° |
| O08 | C04 | C03 | C05 | 177.7° | 179.7° |
| O08 | C04 | C05 | C06 | 0.6° | 0.3° |
| O08 | C04 | C03 | H4 | 145.1° | 29.7° |
| O08 | C04 | C03 | H5 | 25.3° | 149.7° |
| O08 | C04 | C05 | H6 | 179.4° | 179.8° |
| C04 | O08 | C07 | H8 | 179.8° | 179.8° |
| C07 | C06 | C05 | C04 | 0.5° | 0.1° |
| C07 | C06 | C05 | H7 | 180.0° | 179.9° |
| C07 | C06 | C05 | H6 | 179.5° | 179.9° |
| C03 | C04 | C05 | C06 | 178.7° | 180.0° |
| C04 | C03 | H4 | H5 | 119.7° | 120.0° |
| C03 | C04 | C05 | H6 | 1.3° | 0.1° |
| C04 | C05 | C06 | H6 | 180.0° | 179.9° |
| C05 | C04 | C03 | H4 | 37.2° | 150.0° |
| C05 | C04 | C03 | H5 | 157.0° | 30.0° |
| C04 | C05 | C06 | H7 | 179.6° | 180.0° |
| C05 | C06 | C07 | H8 | 179.8° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H6 | C05 | C06 | H7 | 0.4° | 0.1° |
| H7 | C06 | C07 | H8 | 0.1° | 0.1° |
