00H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | HN12 | sing | 1.01Å | 1.00Å | |
| N12 | HN1A | sing | 1.01Å | 1.00Å | |
| C13 | N12 | sing | 1.47Å | 1.44Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| P21 | C13 | sing | 1.82Å | 1.83Å | |
| P21 | O22 | sing | 1.61Å | 1.40Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| O23 | P21 | doub | 1.48Å | 1.51Å | |
| C24 | P21 | sing | 1.82Å | 1.82Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | O27 | doub | 1.21Å | 1.27Å | |
| C26 | OXT | sing | 1.34Å | 1.43Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| HN12 | N12 | HN1A | 109.5° | 111.0° |
| HN12 | N12 | C13 | 109.5° | 111.0° |
| HN1A | N12 | C13 | 109.5° | 111.0° |
| N12 | C13 | C14 | 111.7° | 109.5° |
| N12 | C13 | H13 | 105.4° | 109.5° |
| N12 | C13 | P21 | 112.8° | 109.5° |
| C14 | C13 | H13 | 109.5° | 109.5° |
| C13 | C14 | C15 | 116.5° | 109.5° |
| C13 | C14 | H14 | 107.2° | 109.5° |
| C13 | C14 | H14A | 107.2° | 109.5° |
| C14 | C13 | P21 | 109.0° | 109.5° |
| H13 | C13 | P21 | 108.3° | 109.4° |
| C15 | C14 | H14 | 107.2° | 109.5° |
| C15 | C14 | H14A | 107.2° | 109.5° |
| C14 | C15 | C16 | 121.7° | 120.0° |
| C14 | C15 | C20 | 119.6° | 120.0° |
| H14 | C14 | H14A | 111.7° | 109.5° |
| C16 | C15 | C20 | 118.7° | 120.0° |
| C15 | C16 | C17 | 119.5° | 120.0° |
| C15 | C16 | H16 | 120.2° | 119.9° |
| C15 | C20 | C19 | 122.3° | 120.0° |
| C15 | C20 | H20 | 118.8° | 120.0° |
| C17 | C16 | H16 | 120.3° | 120.0° |
| C16 | C17 | C18 | 121.0° | 120.0° |
| C16 | C17 | H17 | 119.5° | 120.0° |
| C18 | C17 | H17 | 119.5° | 120.0° |
| C17 | C18 | H18 | 120.2° | 120.0° |
| C17 | C18 | C19 | 119.6° | 120.0° |
| H18 | C18 | C19 | 120.2° | 120.0° |
| C18 | C19 | H19 | 120.6° | 119.9° |
| C18 | C19 | C20 | 118.8° | 120.0° |
| H19 | C19 | C20 | 120.6° | 120.1° |
| C19 | C20 | H20 | 118.8° | 120.0° |
| C13 | P21 | O22 | 116.2° | 109.5° |
| C13 | P21 | O23 | 106.4° | 109.5° |
| C13 | P21 | C24 | 110.8° | 109.5° |
| P21 | O22 | HO22 | 109.5° | 114.0° |
| O22 | P21 | O23 | 117.4° | 109.4° |
| O22 | P21 | C24 | 103.4° | 109.5° |
| O23 | P21 | C24 | 101.6° | 109.5° |
| P21 | C24 | H24 | 108.3° | 109.5° |
| P21 | C24 | H24A | 108.3° | 109.5° |
| P21 | C24 | C25 | 113.1° | 109.5° |
| H24 | C24 | H24A | 110.6° | 109.5° |
| H24 | C24 | C25 | 108.3° | 109.4° |
| H24A | C24 | C25 | 108.3° | 109.5° |
| C24 | C25 | C26 | 108.4° | 109.5° |
| C24 | C25 | H25 | 109.8° | 109.5° |
| C24 | C25 | H25A | 109.8° | 109.5° |
| C26 | C25 | H25 | 109.8° | 109.5° |
| C26 | C25 | H25A | 109.8° | 109.5° |
| C25 | C26 | O27 | 119.6° | 120.0° |
| C25 | C26 | OXT | 120.2° | 120.0° |
| H25 | C25 | H25A | 109.1° | 109.4° |
| O27 | C26 | OXT | 120.2° | 120.0° |
| C26 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| HN12 | N12 | HN1A | C13 | 120.0° | 123.9° |
| HN12 | N12 | C13 | C14 | 180.0° | 176.1° |
| HN12 | N12 | C13 | H13 | 61.2° | 56.1° |
| HN12 | N12 | C13 | P21 | 56.8° | 63.9° |
| HN1A | N12 | C13 | C14 | 60.0° | 60.0° |
| HN1A | N12 | C13 | H13 | 178.8° | 180.0° |
| HN1A | N12 | C13 | P21 | 63.2° | 60.0° |
| N12 | C13 | C14 | H13 | 116.4° | 120.0° |
| N12 | C13 | C14 | P21 | 125.3° | 120.0° |
| N12 | C13 | H13 | P21 | 120.9° | 120.0° |
| N12 | C13 | C14 | C15 | 55.2° | 180.0° |
| N12 | C13 | C14 | H14 | 64.8° | 60.0° |
| N12 | C13 | C14 | H14A | 175.2° | 60.0° |
| N12 | C13 | P21 | O22 | 54.7° | 180.0° |
| N12 | C13 | P21 | O23 | 78.1° | 60.0° |
| N12 | C13 | P21 | C24 | 172.3° | 60.0° |
| C14 | C13 | H13 | P21 | 118.7° | 120.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14A | 117.1° | 120.0° |
| C13 | C14 | C15 | C16 | 57.5° | 90.0° |
| C13 | C14 | C15 | C20 | 124.7° | 90.2° |
| C14 | C13 | P21 | O22 | 70.0° | 60.0° |
| C14 | C13 | P21 | O23 | 157.2° | 60.0° |
| C14 | C13 | P21 | C24 | 47.5° | 180.0° |
| H13 | C13 | C14 | C15 | 61.1° | 60.0° |
| H13 | C13 | C14 | H14 | 178.9° | 60.0° |
| H13 | C13 | C14 | H14A | 58.9° | NaN° |
| H13 | C13 | P21 | O22 | 170.9° | 60.0° |
| H13 | C13 | P21 | O23 | 38.2° | 180.0° |
| H13 | C13 | P21 | C24 | 71.5° | 60.0° |
| C15 | C14 | H14 | H14A | 117.1° | 120.0° |
| C14 | C15 | C16 | C20 | 177.8° | 179.8° |
| C14 | C15 | C16 | C17 | 179.7° | 180.0° |
| C14 | C15 | C16 | H16 | 0.3° | 0.0° |
| C14 | C15 | C20 | C19 | 179.9° | 179.8° |
| C14 | C15 | C20 | H20 | 0.1° | 0.0° |
| C15 | C14 | C13 | P21 | 179.4° | 60.0° |
| H14 | C14 | C15 | C16 | 177.5° | 30.0° |
| H14 | C14 | C15 | C20 | 4.7° | 149.8° |
| H14 | C14 | C13 | P21 | 60.6° | 180.0° |
| H14A | C14 | C15 | C16 | 62.5° | 150.0° |
| H14A | C14 | C15 | C20 | 115.3° | 29.8° |
| H14A | C14 | C13 | P21 | 59.4° | 60.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.0° | 0.0° |
| C15 | C16 | C17 | H17 | 179.0° | 180.0° |
| C16 | C15 | C20 | C19 | 2.0° | 0.4° |
| C16 | C15 | C20 | H20 | 178.0° | 179.7° |
| C20 | C15 | C16 | C17 | 1.9° | 0.2° |
| C20 | C15 | C16 | H16 | 178.1° | 179.8° |
| C15 | C20 | C19 | C18 | 1.1° | 0.4° |
| C15 | C20 | C19 | H19 | 178.8° | 179.7° |
| C15 | C20 | C19 | H20 | 180.0° | 179.8° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | H18 | 179.9° | 179.9° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| H16 | C16 | C17 | C18 | 179.0° | 180.0° |
| H16 | C16 | C17 | H17 | 1.0° | 0.0° |
| C17 | C18 | H18 | C19 | 180.0° | 179.9° |
| C17 | C18 | C19 | H19 | 179.8° | 179.9° |
| C17 | C18 | C19 | C20 | 0.2° | 0.2° |
| H17 | C17 | C18 | H18 | 0.1° | 0.0° |
| H17 | C17 | C18 | C19 | 179.9° | 180.0° |
| H18 | C18 | C19 | H19 | 0.2° | 0.0° |
| H18 | C18 | C19 | C20 | 179.8° | 179.9° |
| C18 | C19 | H19 | C20 | 180.0° | 179.9° |
| C18 | C19 | C20 | H20 | 178.9° | 179.7° |
| H19 | C19 | C20 | H20 | 1.2° | 0.1° |
| C13 | P21 | O22 | O23 | 127.5° | 120.0° |
| C13 | P21 | O22 | C24 | 121.6° | 120.0° |
| C13 | P21 | O22 | HO22 | 127.5° | 60.1° |
| C13 | P21 | O23 | C24 | 116.0° | 120.0° |
| C13 | P21 | C24 | H24 | 87.8° | 55.0° |
| C13 | P21 | C24 | H24A | 32.2° | 65.0° |
| C13 | P21 | C24 | C25 | 152.2° | 175.0° |
| O22 | P21 | O23 | C24 | 111.9° | 120.0° |
| O22 | P21 | C24 | H24 | 147.0° | 175.0° |
| O22 | P21 | C24 | H24A | 93.0° | 55.0° |
| O22 | P21 | C24 | C25 | 27.1° | 65.0° |
| HO22 | O22 | P21 | O23 | 0.0° | 180.0° |
| HO22 | O22 | P21 | C24 | 110.9° | 60.0° |
| O23 | P21 | C24 | H24 | 24.9° | 65.0° |
| O23 | P21 | C24 | H24A | 144.9° | 175.0° |
| O23 | P21 | C24 | C25 | 95.1° | 55.0° |
| P21 | C24 | H24 | H24A | 118.5° | 120.0° |
| P21 | C24 | H24 | C25 | 122.9° | 120.0° |
| P21 | C24 | H24A | C25 | 122.9° | 120.0° |
| P21 | C24 | C25 | C26 | 109.7° | 180.0° |
| P21 | C24 | C25 | H25 | 10.3° | 60.0° |
| P21 | C24 | C25 | H25A | 130.3° | 60.0° |
| H24 | C24 | H24A | C25 | 118.5° | 120.0° |
| H24 | C24 | C25 | C26 | 130.3° | 60.0° |
| H24 | C24 | C25 | H25 | 109.7° | 180.0° |
| H24 | C24 | C25 | H25A | 10.3° | 60.0° |
| H24A | C24 | C25 | C26 | 10.3° | 60.0° |
| H24A | C24 | C25 | H25 | 130.3° | 60.0° |
| H24A | C24 | C25 | H25A | 109.7° | 180.0° |
| C24 | C25 | C26 | H25 | 120.0° | 120.0° |
| C24 | C25 | C26 | H25A | 120.0° | 120.0° |
| C24 | C25 | H25 | H25A | 120.4° | 120.0° |
| C24 | C25 | C26 | O27 | 12.6° | 0.0° |
| C24 | C25 | C26 | OXT | 167.3° | 180.0° |
| C26 | C25 | H25 | H25A | 120.4° | 120.0° |
| C25 | C26 | O27 | OXT | 180.0° | 180.0° |
| C25 | C26 | OXT | HXT | 180.0° | 180.0° |
| H25 | C25 | C26 | O27 | 132.6° | 120.0° |
| H25 | C25 | C26 | OXT | 47.4° | 60.0° |
| H25A | C25 | C26 | O27 | 107.4° | 120.0° |
| H25A | C25 | C26 | OXT | 72.6° | 60.0° |
| O27 | C26 | OXT | HXT | 0.0° | 0.0° |
