2X0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | P11 | doub | 1.48Å | 1.48Å | |
| O13 | P11 | sing | 1.61Å | 1.44Å | |
| P11 | C3 | sing | 1.82Å | 1.84Å | |
| P11 | O12 | sing | 1.61Å | 1.38Å | |
| C3 | N10 | sing | 1.47Å | 1.53Å | |
| C3 | C1 | sing | 1.53Å | 1.49Å | |
| C21 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.53Å | 1.50Å | |
| C6 | C8 | sing | 1.51Å | 1.38Å | |
| C8 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.43Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O12 | H4 | sing | 0.97Å | 0.95Å | |
| O13 | H5 | sing | 0.97Å | 0.95Å | |
| N10 | H6 | sing | 1.01Å | 1.00Å | |
| N10 | H7 | sing | 1.01Å | 1.00Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | P11 | O13 | 114.6° | 109.5° |
| O11 | P11 | C3 | 103.1° | 109.5° |
| O11 | P11 | O12 | 120.4° | 109.5° |
| O13 | P11 | C3 | 104.9° | 109.4° |
| O13 | P11 | O12 | 109.3° | 109.5° |
| P11 | O13 | H5 | 109.5° | 114.0° |
| C3 | P11 | O12 | 102.3° | 109.5° |
| P11 | C3 | N10 | 107.8° | 109.5° |
| P11 | C3 | C1 | 109.7° | 109.5° |
| P11 | C3 | H3 | 106.1° | 109.5° |
| P11 | O12 | H4 | 109.5° | 114.0° |
| N10 | C3 | C1 | 113.5° | 109.5° |
| N10 | C3 | H3 | 109.5° | 109.4° |
| C3 | N10 | H6 | 109.5° | 111.0° |
| C3 | N10 | H7 | 109.5° | 111.0° |
| C3 | C1 | C6 | 101.7° | 109.5° |
| C1 | C3 | H3 | 110.0° | 109.5° |
| C3 | C1 | H9 | 111.4° | 109.5° |
| C3 | C1 | H10 | 111.3° | 109.5° |
| C20 | C21 | C8 | 119.6° | 120.0° |
| C21 | C20 | C19 | 120.1° | 120.0° |
| C21 | C20 | H14 | 120.0° | 120.0° |
| C20 | C21 | H15 | 120.2° | 120.0° |
| C21 | C8 | C6 | 120.2° | 120.0° |
| C21 | C8 | C17 | 120.7° | 120.1° |
| C8 | C21 | H15 | 120.2° | 120.0° |
| C20 | C19 | C18 | 120.1° | 120.0° |
| C20 | C19 | H13 | 119.9° | 120.0° |
| C19 | C20 | H14 | 119.9° | 120.0° |
| C1 | C6 | C8 | 116.6° | 109.5° |
| C1 | C6 | H1 | 107.7° | 109.4° |
| C1 | C6 | H2 | 107.6° | 109.5° |
| C6 | C1 | H9 | 111.4° | 109.4° |
| C6 | C1 | H10 | 111.4° | 109.5° |
| C6 | C8 | C17 | 118.9° | 120.0° |
| C8 | C6 | H1 | 107.6° | 109.5° |
| C8 | C6 | H2 | 107.7° | 109.5° |
| C8 | C17 | C18 | 120.2° | 120.0° |
| C8 | C17 | H11 | 119.9° | 120.1° |
| C19 | C18 | C17 | 119.2° | 120.0° |
| C19 | C18 | H12 | 120.4° | 120.0° |
| C18 | C19 | H13 | 119.9° | 120.0° |
| C18 | C17 | H11 | 119.9° | 120.0° |
| C17 | C18 | H12 | 120.4° | 120.0° |
| H1 | C6 | H2 | 109.5° | 109.4° |
| H6 | N10 | H7 | 109.5° | 111.0° |
| H9 | C1 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | P11 | O13 | C3 | 112.4° | 120.0° |
| O11 | P11 | O13 | O12 | 138.6° | 120.0° |
| O11 | P11 | C3 | O12 | 125.7° | 120.0° |
| O11 | P11 | C3 | N10 | 58.4° | 65.0° |
| O11 | P11 | C3 | C1 | 177.6° | 55.0° |
| O11 | P11 | C3 | H3 | 58.9° | 175.0° |
| O11 | P11 | O12 | H4 | 0.0° | 60.0° |
| O11 | P11 | O13 | H5 | 0.0° | 180.0° |
| O13 | P11 | C3 | O12 | 114.0° | 120.0° |
| O13 | P11 | C3 | N10 | 178.6° | 175.0° |
| O13 | P11 | C3 | C1 | 57.4° | 65.0° |
| O13 | P11 | C3 | H3 | 61.4° | 55.0° |
| O13 | P11 | O12 | H4 | 135.7° | 60.0° |
| P11 | C3 | N10 | C1 | 121.7° | 120.0° |
| P11 | C3 | N10 | H3 | 115.0° | 120.0° |
| P11 | C3 | C1 | H3 | 116.3° | 120.0° |
| P11 | C3 | C1 | C6 | 175.5° | 60.0° |
| C3 | P11 | O12 | H4 | 113.5° | 180.0° |
| C3 | P11 | O13 | H5 | 112.3° | 60.0° |
| P11 | C3 | N10 | H6 | 180.0° | 60.0° |
| P11 | C3 | N10 | H7 | 60.0° | 176.1° |
| P11 | C3 | C1 | H9 | 65.8° | 60.0° |
| P11 | C3 | C1 | H10 | 56.7° | 180.0° |
| O12 | P11 | C3 | N10 | 67.3° | 55.0° |
| O12 | P11 | C3 | C1 | 56.7° | 175.0° |
| O12 | P11 | C3 | H3 | 175.4° | 65.0° |
| O12 | P11 | O13 | H5 | 138.6° | 60.0° |
| N10 | C3 | C1 | H3 | 123.1° | 120.0° |
| N10 | C3 | C1 | C6 | 63.9° | 180.0° |
| C3 | N10 | H6 | H7 | 120.0° | 123.9° |
| N10 | C3 | C1 | H9 | 54.8° | 60.0° |
| N10 | C3 | C1 | H10 | 177.3° | 60.0° |
| C3 | C1 | C6 | H9 | 118.7° | 120.0° |
| C3 | C1 | C6 | H10 | 118.7° | 120.0° |
| C3 | C1 | C6 | C8 | 149.7° | 180.0° |
| C3 | C1 | C6 | H1 | 28.7° | 60.0° |
| C3 | C1 | C6 | H2 | 89.3° | 59.9° |
| C1 | C3 | N10 | H6 | 58.3° | 60.0° |
| C1 | C3 | N10 | H7 | 178.3° | 63.9° |
| C3 | C1 | H9 | H10 | 123.6° | 120.0° |
| C20 | C21 | C8 | H15 | 180.0° | 179.5° |
| C21 | C20 | C19 | H14 | 180.0° | 179.8° |
| C20 | C21 | C8 | C6 | 177.9° | 179.7° |
| C20 | C21 | C8 | C17 | 2.9° | 0.5° |
| C21 | C20 | C19 | C18 | 1.1° | 0.2° |
| C21 | C20 | C19 | H13 | 178.9° | 179.8° |
| C8 | C21 | C20 | C19 | 3.0° | 0.5° |
| C21 | C8 | C6 | C1 | 78.9° | 90.2° |
| C21 | C8 | C6 | C17 | 175.2° | 179.8° |
| C21 | C8 | C17 | C18 | 0.9° | 0.2° |
| C21 | C8 | C6 | H1 | 42.1° | 29.8° |
| C21 | C8 | C6 | H2 | 160.1° | 149.7° |
| C21 | C8 | C17 | H11 | 179.1° | 179.8° |
| C8 | C21 | C20 | H14 | 177.0° | 179.7° |
| C20 | C19 | C18 | H13 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.9° | 0.0° |
| C20 | C19 | C18 | H12 | 179.1° | 180.0° |
| C19 | C20 | C21 | H15 | 177.1° | 180.0° |
| C1 | C6 | C8 | H1 | 121.0° | 120.0° |
| C1 | C6 | C8 | H2 | 121.0° | 120.1° |
| C1 | C6 | C8 | C17 | 106.0° | 90.0° |
| C1 | C6 | H1 | H2 | 116.8° | 120.0° |
| C6 | C1 | C3 | H3 | 59.1° | 60.1° |
| C6 | C1 | H9 | H10 | 123.6° | 120.0° |
| C6 | C8 | C17 | C18 | 176.0° | 180.0° |
| C8 | C6 | H1 | H2 | 116.8° | 120.0° |
| C8 | C6 | C1 | H9 | 91.6° | 60.0° |
| C8 | C6 | C1 | H10 | 31.0° | 60.0° |
| C6 | C8 | C17 | H11 | 4.0° | 0.0° |
| C6 | C8 | C21 | H15 | 2.1° | 0.2° |
| C8 | C17 | C18 | C19 | 1.0° | 0.0° |
| C8 | C17 | C18 | H11 | 180.0° | 180.0° |
| C17 | C8 | C6 | H1 | 133.0° | 150.0° |
| C17 | C8 | C6 | H2 | 15.0° | 30.0° |
| C8 | C17 | C18 | H12 | 179.0° | 180.0° |
| C17 | C8 | C21 | H15 | 177.1° | 180.0° |
| C19 | C18 | C17 | H12 | 180.0° | 180.0° |
| C19 | C18 | C17 | H11 | 179.0° | 180.0° |
| C18 | C19 | C20 | H14 | 178.9° | 180.0° |
| C17 | C18 | C19 | H13 | 179.2° | 180.0° |
| H1 | C6 | C1 | H9 | 147.4° | 180.0° |
| H1 | C6 | C1 | H10 | 90.0° | 60.0° |
| H2 | C6 | C1 | H9 | 29.4° | 60.1° |
| H2 | C6 | C1 | H10 | 152.0° | 179.9° |
| H3 | C3 | N10 | H6 | 65.0° | 180.0° |
| H3 | C3 | N10 | H7 | 55.0° | 56.0° |
| H3 | C3 | C1 | H9 | 177.8° | 180.0° |
| H3 | C3 | C1 | H10 | 59.6° | 60.0° |
| H11 | C17 | C18 | H12 | 1.0° | 0.0° |
| H12 | C18 | C19 | H13 | 0.8° | 0.0° |
| H13 | C19 | C20 | H14 | 1.1° | 0.0° |
| H14 | C20 | C21 | H15 | 2.9° | 0.2° |
