P00
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | P21 | doub | 1.48Å | 1.49Å | |
| O23 | P21 | sing | 1.61Å | 1.51Å | |
| O18 | C15 | doub | 1.21Å | 1.24Å | |
| P21 | O24 | sing | 1.61Å | 1.51Å | |
| P21 | O20 | sing | 1.61Å | 1.63Å | |
| C15 | O17 | sing | 1.34Å | 1.25Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| O20 | C19 | sing | 1.43Å | 1.45Å | |
| N16 | C14 | sing | 1.47Å | 1.49Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C19 | C5 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C9 | C4 | sing | 1.48Å | 1.49Å | |
| C9 | N10 | doub | 1.29Å | 1.32Å | |
| O11 | C12 | sing | 1.43Å | 1.43Å | |
| O11 | N10 | sing | 1.42Å | 1.34Å | |
| C4 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | O8 | sing | 1.36Å | 1.35Å | |
| C2 | C7 | sing | 1.51Å | 1.50Å | |
| O23 | H1 | sing | 0.97Å | 0.95Å | |
| O24 | H2 | sing | 0.97Å | 0.95Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| O8 | H9 | sing | 0.97Å | 0.95Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| N16 | H16 | sing | 1.01Å | 1.00Å | |
| N16 | H17 | sing | 1.01Å | 1.00Å | |
| O17 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | P21 | O23 | 113.8° | 109.5° |
| O22 | P21 | O24 | 110.1° | 109.5° |
| O22 | P21 | O20 | 109.0° | 109.5° |
| O23 | P21 | O24 | 114.6° | 109.5° |
| O23 | P21 | O20 | 102.4° | 109.4° |
| P21 | O23 | H1 | 109.5° | 114.1° |
| O18 | C15 | O17 | 121.9° | 120.0° |
| O18 | C15 | C14 | 118.4° | 120.0° |
| O24 | P21 | O20 | 106.2° | 109.4° |
| P21 | O24 | H2 | 109.5° | 114.0° |
| P21 | O20 | C19 | 118.5° | 123.0° |
| O17 | C15 | C14 | 119.7° | 120.0° |
| C15 | O17 | H18 | 109.5° | 117.0° |
| C15 | C14 | N16 | 111.5° | 109.5° |
| C15 | C14 | C13 | 109.3° | 109.5° |
| C15 | C14 | H15 | 108.3° | 109.5° |
| O20 | C19 | C5 | 107.6° | 109.5° |
| O20 | C19 | H3 | 109.9° | 109.5° |
| O20 | C19 | H4 | 110.0° | 109.5° |
| N16 | C14 | C13 | 110.9° | 109.4° |
| N16 | C14 | H15 | 108.6° | 109.5° |
| C14 | N16 | H16 | 109.5° | 111.0° |
| C14 | N16 | H17 | 109.4° | 111.0° |
| C14 | C13 | C12 | 113.1° | 109.5° |
| C14 | C13 | H13 | 108.6° | 109.4° |
| C14 | C13 | H14 | 108.5° | 109.5° |
| C13 | C14 | H15 | 108.0° | 109.5° |
| C19 | C5 | C6 | 117.2° | 120.5° |
| C19 | C5 | C4 | 123.3° | 120.5° |
| C5 | C19 | H3 | 110.0° | 109.5° |
| C5 | C19 | H4 | 109.9° | 109.5° |
| C13 | C12 | O11 | 108.9° | 109.5° |
| C13 | C12 | H11 | 109.6° | 109.5° |
| C13 | C12 | H12 | 109.6° | 109.5° |
| C12 | C13 | H13 | 108.6° | 109.5° |
| C12 | C13 | H14 | 108.6° | 109.5° |
| C6 | C5 | C4 | 119.5° | 119.1° |
| C5 | C6 | N1 | 119.7° | 121.1° |
| C5 | C6 | H5 | 120.1° | 119.5° |
| C5 | C4 | C9 | 117.3° | 121.0° |
| C5 | C4 | C3 | 119.3° | 118.1° |
| C6 | N1 | C2 | 122.3° | 122.1° |
| N1 | C6 | H5 | 120.1° | 119.5° |
| C4 | C9 | N10 | 122.9° | 120.0° |
| C9 | C4 | C3 | 123.4° | 121.0° |
| C4 | C9 | H10 | 118.5° | 120.0° |
| C9 | N10 | O11 | 115.1° | 120.0° |
| N10 | C9 | H10 | 118.5° | 120.0° |
| C12 | O11 | N10 | 119.9° | 114.0° |
| O11 | C12 | H11 | 109.6° | 109.4° |
| O11 | C12 | H12 | 109.6° | 109.5° |
| C4 | C3 | C2 | 118.4° | 118.9° |
| C4 | C3 | O8 | 121.4° | 120.6° |
| N1 | C2 | C3 | 120.7° | 120.8° |
| N1 | C2 | C7 | 116.5° | 119.6° |
| C2 | C3 | O8 | 120.1° | 120.5° |
| C3 | C2 | C7 | 122.8° | 119.6° |
| C3 | O8 | H9 | 109.5° | 114.0° |
| C2 | C7 | H6 | 109.5° | 109.5° |
| C2 | C7 | H7 | 109.5° | 109.5° |
| C2 | C7 | H8 | 109.5° | 109.5° |
| H3 | C19 | H4 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H6 | C7 | H8 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.4° | 109.5° |
| H16 | N16 | H17 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | P21 | O23 | O24 | 128.0° | 120.0° |
| O22 | P21 | O23 | O20 | 117.5° | 120.0° |
| O22 | P21 | O24 | O20 | 117.9° | 120.0° |
| O22 | P21 | O20 | C19 | 47.9° | 55.0° |
| O22 | P21 | O23 | H1 | 0.0° | 60.0° |
| O22 | P21 | O24 | H2 | 0.0° | 179.9° |
| O23 | P21 | O24 | O20 | 112.3° | 119.9° |
| O23 | P21 | O20 | C19 | 168.8° | 175.0° |
| O23 | P21 | O24 | H2 | 129.8° | 59.9° |
| O18 | C15 | O17 | C14 | 179.0° | 180.0° |
| O18 | C15 | C14 | N16 | 132.0° | 20.0° |
| O18 | C15 | C14 | C13 | 105.0° | 100.0° |
| O18 | C15 | C14 | H15 | 12.5° | 140.0° |
| O18 | C15 | O17 | H18 | 0.0° | 0.0° |
| O24 | P21 | O20 | C19 | 70.7° | 65.0° |
| O24 | P21 | O23 | H1 | 128.0° | 60.0° |
| P21 | O20 | C19 | C5 | 160.3° | 180.0° |
| O20 | P21 | O23 | H1 | 117.5° | 180.0° |
| O20 | P21 | O24 | H2 | 117.9° | 60.0° |
| P21 | O20 | C19 | H3 | 40.6° | 60.0° |
| P21 | O20 | C19 | H4 | 80.0° | 60.0° |
| O17 | C15 | C14 | N16 | 49.0° | 160.0° |
| O17 | C15 | C14 | C13 | 74.0° | 80.0° |
| O17 | C15 | C14 | H15 | 168.5° | 40.0° |
| C15 | C14 | N16 | C13 | 122.1° | 120.0° |
| C15 | C14 | N16 | H15 | 119.3° | 120.0° |
| C15 | C14 | C13 | H15 | 117.7° | 120.0° |
| C15 | C14 | C13 | C12 | 178.7° | 175.0° |
| C15 | C14 | C13 | H13 | 60.7° | 55.0° |
| C15 | C14 | C13 | H14 | 58.1° | 65.0° |
| C15 | C14 | N16 | H16 | 180.0° | 64.0° |
| C15 | C14 | N16 | H17 | 60.0° | 60.0° |
| C14 | C15 | O17 | H18 | 179.0° | 180.0° |
| O20 | C19 | C5 | H3 | 119.7° | 120.0° |
| O20 | C19 | C5 | H4 | 119.7° | 120.0° |
| O20 | C19 | C5 | C6 | 109.9° | 0.0° |
| O20 | C19 | C5 | C4 | 70.6° | 179.7° |
| O20 | C19 | H3 | H4 | 120.9° | 120.0° |
| N16 | C14 | C13 | H15 | 119.0° | 120.0° |
| N16 | C14 | C13 | C12 | 57.9° | 65.0° |
| N16 | C14 | C13 | H13 | 62.6° | 175.0° |
| N16 | C14 | C13 | H14 | 178.5° | 55.0° |
| C14 | N16 | H16 | H17 | 120.0° | 123.9° |
| C14 | C13 | C12 | H13 | 120.5° | 120.0° |
| C14 | C13 | C12 | H14 | 120.5° | 120.0° |
| C14 | C13 | C12 | O11 | 68.0° | 180.0° |
| C14 | C13 | C12 | H11 | 51.9° | 60.0° |
| C14 | C13 | C12 | H12 | 172.1° | 60.0° |
| C14 | C13 | H13 | H14 | 118.3° | 120.0° |
| C13 | C14 | N16 | H16 | 57.9° | 176.1° |
| C13 | C14 | N16 | H17 | 177.9° | 60.0° |
| C19 | C5 | C6 | C4 | 179.5° | 179.8° |
| C19 | C5 | C6 | N1 | 179.8° | 180.0° |
| C19 | C5 | C4 | C9 | 0.5° | 0.0° |
| C19 | C5 | C4 | C3 | 179.2° | 179.8° |
| C5 | C19 | H3 | H4 | 120.9° | 120.0° |
| C19 | C5 | C6 | H5 | 0.2° | 0.0° |
| C13 | C12 | O11 | H11 | 119.9° | 120.0° |
| C13 | C12 | O11 | H12 | 119.9° | 120.1° |
| C13 | C12 | O11 | N10 | 90.0° | 180.0° |
| C13 | C12 | H11 | H12 | 120.2° | 120.1° |
| C12 | C13 | H13 | H14 | 118.4° | 120.0° |
| C12 | C13 | C14 | H15 | 61.0° | 55.0° |
| C5 | C6 | N1 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C9 | 179.0° | 179.8° |
| C6 | C5 | C4 | C3 | 1.3° | 0.4° |
| C5 | C6 | N1 | C2 | 0.4° | 0.0° |
| C6 | C5 | C19 | H3 | 130.4° | 120.1° |
| C6 | C5 | C19 | H4 | 9.8° | 120.0° |
| C4 | C5 | C6 | N1 | 0.7° | 0.2° |
| C5 | C4 | C9 | C3 | 179.7° | 179.8° |
| C5 | C4 | C9 | N10 | 155.7° | 180.0° |
| C5 | C4 | C3 | C2 | 0.8° | 0.5° |
| C5 | C4 | C3 | O8 | 179.5° | 179.8° |
| C4 | C5 | C19 | H3 | 49.1° | 59.7° |
| C4 | C5 | C19 | H4 | 169.7° | 60.3° |
| C4 | C5 | C6 | H5 | 179.3° | 179.7° |
| C5 | C4 | C9 | H10 | 24.3° | 0.0° |
| C6 | N1 | C2 | C3 | 0.9° | 0.0° |
| C6 | N1 | C2 | C7 | 179.6° | 180.0° |
| C4 | C9 | N10 | H10 | 180.0° | 180.0° |
| C4 | C9 | N10 | O11 | 179.7° | 180.0° |
| C9 | C4 | C3 | C2 | 179.5° | 179.8° |
| C9 | C4 | C3 | O8 | 0.8° | 0.1° |
| C9 | N10 | O11 | C12 | 155.2° | 180.0° |
| N10 | C9 | C4 | C3 | 24.6° | 0.2° |
| O11 | C12 | H11 | H12 | 120.3° | 120.0° |
| O11 | C12 | C13 | H13 | 171.5° | 60.0° |
| O11 | C12 | C13 | H14 | 52.5° | 60.0° |
| O11 | N10 | C9 | H10 | 0.2° | 0.0° |
| N10 | O11 | C12 | H11 | 150.1° | 60.0° |
| N10 | O11 | C12 | H12 | 29.9° | 60.0° |
| C4 | C3 | C2 | N1 | 0.3° | 0.2° |
| C4 | C3 | C2 | O8 | 178.7° | 179.7° |
| C4 | C3 | C2 | C7 | 179.8° | 179.7° |
| C4 | C3 | O8 | H9 | 180.0° | 89.7° |
| C3 | C4 | C9 | H10 | 155.4° | 179.8° |
| N1 | C2 | C3 | C7 | 179.5° | 179.9° |
| N1 | C2 | C3 | O8 | 178.4° | 179.9° |
| C2 | N1 | C6 | H5 | 179.6° | 180.0° |
| N1 | C2 | C7 | H6 | 0.0° | 89.9° |
| N1 | C2 | C7 | H7 | 120.0° | 150.0° |
| N1 | C2 | C7 | H8 | 120.0° | 30.0° |
| C3 | C2 | C7 | H6 | 179.5° | 90.0° |
| C3 | C2 | C7 | H7 | 60.5° | 30.1° |
| C3 | C2 | C7 | H8 | 59.5° | 150.0° |
| C2 | C3 | O8 | H9 | 1.4° | 90.0° |
| O8 | C3 | C2 | C7 | 1.1° | 0.0° |
| C2 | C7 | H6 | H7 | 120.0° | 120.0° |
| C2 | C7 | H6 | H8 | 120.0° | 120.0° |
| C2 | C7 | H7 | H8 | 120.0° | 120.0° |
| H6 | C7 | H7 | H8 | 120.0° | 120.0° |
| H11 | C12 | C13 | H13 | 68.6° | 180.0° |
| H11 | C12 | C13 | H14 | 172.5° | 59.9° |
| H12 | C12 | C13 | H13 | 51.6° | 60.0° |
| H12 | C12 | C13 | H14 | 67.4° | 180.0° |
| H13 | C13 | C14 | H15 | 178.4° | 65.0° |
| H14 | C13 | C14 | H15 | 59.5° | 175.0° |
| H15 | C14 | N16 | H16 | 60.7° | 56.1° |
| H15 | C14 | N16 | H17 | 59.3° | 180.0° |
