721
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | P2 | doub | 1.48Å | 1.50Å | |
| O5 | P2 | sing | 1.61Å | 1.51Å | |
| O4 | P2 | sing | 1.61Å | 1.52Å | |
| P2 | C1 | sing | 1.82Å | 1.84Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | P1 | sing | 1.82Å | 1.82Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O3 | P1 | doub | 1.48Å | 1.50Å | |
| O1 | P1 | sing | 1.61Å | 1.51Å | |
| P1 | O2 | sing | 1.61Å | 1.50Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C7 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C3 | N1 | sing | 1.32Å | 1.36Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| O7 | C6 | sing | 1.36Å | 1.38Å | |
| C8 | O7 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | P2 | O5 | 114.4° | 109.4° |
| O6 | P2 | O4 | 112.2° | 109.5° |
| O6 | P2 | C1 | 107.8° | 109.5° |
| O5 | P2 | O4 | 111.4° | 109.5° |
| O5 | P2 | C1 | 105.9° | 109.5° |
| P2 | O5 | HO5 | 109.5° | 114.0° |
| O4 | P2 | C1 | 104.4° | 109.5° |
| P2 | O4 | HO4 | 109.5° | 114.0° |
| P2 | C1 | C2 | 113.4° | 109.5° |
| P2 | C1 | P1 | 111.6° | 109.5° |
| P2 | C1 | H1 | 104.4° | 109.5° |
| C2 | C1 | P1 | 107.0° | 109.4° |
| C2 | C1 | H1 | 109.3° | 109.5° |
| C1 | C2 | N1 | 117.7° | 109.5° |
| C1 | C2 | H2 | 106.8° | 109.5° |
| C1 | C2 | H2A | 104.9° | 109.5° |
| P1 | C1 | H1 | 111.2° | 109.4° |
| C1 | P1 | O3 | 105.2° | 109.5° |
| C1 | P1 | O1 | 106.7° | 109.5° |
| C1 | P1 | O2 | 107.4° | 109.5° |
| O3 | P1 | O1 | 113.1° | 109.5° |
| O3 | P1 | O2 | 112.1° | 109.5° |
| O1 | P1 | O2 | 111.9° | 109.4° |
| P1 | O1 | HO1 | 109.5° | 114.0° |
| P1 | O2 | HO2 | 109.5° | 114.0° |
| N1 | C2 | H2 | 106.8° | 109.5° |
| N1 | C2 | H2A | 104.9° | 109.5° |
| C2 | N1 | C7 | 117.7° | 119.1° |
| C2 | N1 | C3 | 122.2° | 119.1° |
| H2 | C2 | H2A | 116.2° | 109.4° |
| C7 | N1 | C3 | 120.0° | 121.8° |
| N1 | C7 | C6 | 121.5° | 120.7° |
| N1 | C7 | H7 | 119.2° | 119.7° |
| N1 | C3 | C4 | 121.3° | 120.9° |
| N1 | C3 | H3 | 119.3° | 119.5° |
| C4 | C3 | H3 | 119.4° | 119.6° |
| C3 | C4 | C5 | 119.3° | 119.2° |
| C3 | C4 | H4 | 120.4° | 120.4° |
| C5 | C4 | H4 | 120.4° | 120.4° |
| C4 | C5 | C6 | 118.8° | 118.4° |
| C4 | C5 | H5 | 120.6° | 120.8° |
| C6 | C5 | H5 | 120.6° | 120.8° |
| C5 | C6 | C7 | 119.0° | 119.1° |
| C5 | C6 | O7 | 122.6° | 120.4° |
| C6 | C7 | H7 | 119.2° | 119.7° |
| C7 | C6 | O7 | 118.3° | 120.5° |
| C6 | O7 | C8 | 122.5° | 117.0° |
| O7 | C8 | C9 | 108.7° | 109.4° |
| O7 | C8 | H8 | 109.8° | 109.5° |
| O7 | C8 | H8A | 109.9° | 109.5° |
| C9 | C8 | H8 | 109.7° | 109.4° |
| C9 | C8 | H8A | 109.9° | 109.5° |
| C8 | C9 | C10 | 110.9° | 109.4° |
| C8 | C9 | H9 | 109.0° | 109.5° |
| C8 | C9 | H9A | 108.7° | 109.5° |
| H8 | C8 | H8A | 108.9° | 109.5° |
| C10 | C9 | H9 | 109.0° | 109.4° |
| C10 | C9 | H9A | 108.7° | 109.5° |
| C9 | C10 | C11 | 112.1° | 109.5° |
| C9 | C10 | H10 | 108.6° | 109.4° |
| C9 | C10 | H10A | 108.0° | 109.5° |
| H9 | C9 | H9A | 110.6° | 109.5° |
| C11 | C10 | H10 | 108.6° | 109.4° |
| C11 | C10 | H10A | 108.0° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.4° |
| C10 | C11 | H11A | 109.4° | 109.5° |
| C10 | C11 | H11B | 109.5° | 109.5° |
| H10 | C10 | H10A | 111.5° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H11 | C11 | H11B | 109.4° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | P2 | O5 | O4 | 128.6° | 120.0° |
| O6 | P2 | O5 | C1 | 118.6° | 120.0° |
| O6 | P2 | O4 | C1 | 116.4° | 120.0° |
| O6 | P2 | O5 | HO5 | 56.9° | 180.0° |
| O6 | P2 | O4 | HO4 | 56.7° | 60.0° |
| O6 | P2 | C1 | C2 | 56.2° | 60.0° |
| O6 | P2 | C1 | P1 | 64.7° | 60.0° |
| O6 | P2 | C1 | H1 | 175.1° | 180.0° |
| O5 | P2 | O4 | C1 | 113.9° | 120.0° |
| O5 | P2 | O4 | HO4 | 73.0° | 60.0° |
| O5 | P2 | C1 | C2 | 66.7° | 60.0° |
| O5 | P2 | C1 | P1 | 172.4° | 180.0° |
| O5 | P2 | C1 | H1 | 52.2° | 60.0° |
| O4 | P2 | O5 | HO5 | 71.6° | 60.1° |
| O4 | P2 | C1 | C2 | 175.7° | 180.0° |
| O4 | P2 | C1 | P1 | 54.8° | 60.0° |
| O4 | P2 | C1 | H1 | 65.4° | 60.0° |
| C1 | P2 | O5 | HO5 | 175.5° | 60.0° |
| C1 | P2 | O4 | HO4 | 173.1° | 180.0° |
| P2 | C1 | C2 | P1 | 123.4° | 120.0° |
| P2 | C1 | C2 | H1 | 116.1° | 120.1° |
| P2 | C1 | P1 | H1 | 116.2° | 120.1° |
| P2 | C1 | P1 | O3 | 61.9° | 57.7° |
| P2 | C1 | P1 | O1 | 58.5° | 62.3° |
| P2 | C1 | P1 | O2 | 178.6° | 177.7° |
| P2 | C1 | C2 | N1 | 54.0° | 66.2° |
| P2 | C1 | C2 | H2 | 66.0° | 173.8° |
| P2 | C1 | C2 | H2A | 170.2° | 53.9° |
| C2 | C1 | P1 | H1 | 119.3° | 119.9° |
| C2 | C1 | P1 | O3 | 62.7° | 62.3° |
| C2 | C1 | P1 | O1 | 177.0° | 177.7° |
| C2 | C1 | P1 | O2 | 56.9° | 57.8° |
| C1 | C2 | N1 | H2 | 120.0° | 120.0° |
| C1 | C2 | N1 | H2A | 116.1° | 120.1° |
| C1 | C2 | H2 | H2A | 116.6° | 120.0° |
| C1 | C2 | N1 | C7 | 139.7° | 98.1° |
| C1 | C2 | N1 | C3 | 43.7° | 82.1° |
| C1 | P1 | O3 | O1 | 116.0° | 120.0° |
| C1 | P1 | O3 | O2 | 116.4° | 120.0° |
| C1 | P1 | O1 | O2 | 117.2° | 120.0° |
| C1 | P1 | O2 | HO2 | 1.3° | 58.8° |
| C1 | P1 | O1 | HO1 | 66.7° | 60.0° |
| P1 | C1 | C2 | N1 | 177.5° | 173.9° |
| P1 | C1 | C2 | H2 | 57.5° | 53.9° |
| P1 | C1 | C2 | H2A | 66.4° | 66.1° |
| H1 | C1 | P1 | O3 | 178.0° | 177.8° |
| H1 | C1 | P1 | O1 | 57.7° | 57.8° |
| H1 | C1 | P1 | O2 | 62.4° | 62.2° |
| H1 | C1 | C2 | N1 | 62.0° | 53.9° |
| H1 | C1 | C2 | H2 | 178.0° | 66.1° |
| H1 | C1 | C2 | H2A | 54.1° | 174.0° |
| O3 | P1 | O1 | O2 | 127.7° | 120.0° |
| O3 | P1 | O2 | HO2 | 113.7° | 61.3° |
| O3 | P1 | O1 | HO1 | 48.4° | 60.0° |
| O1 | P1 | O2 | HO2 | 118.1° | 178.7° |
| O2 | P1 | O1 | HO1 | 176.1° | 180.0° |
| N1 | C2 | H2 | H2A | 116.6° | 120.0° |
| C2 | N1 | C7 | C3 | 176.7° | 179.8° |
| C2 | N1 | C3 | C4 | 179.3° | 179.9° |
| C2 | N1 | C3 | H3 | 0.7° | 0.0° |
| C2 | N1 | C7 | C6 | 179.1° | 179.7° |
| C2 | N1 | C7 | H7 | 0.8° | 0.1° |
| H2 | C2 | N1 | C7 | 19.8° | 141.9° |
| H2 | C2 | N1 | C3 | 163.7° | 37.9° |
| H2A | C2 | N1 | C7 | 104.1° | 21.9° |
| H2A | C2 | N1 | C3 | 72.4° | 157.8° |
| C7 | N1 | C3 | C4 | 2.8° | 0.3° |
| C7 | N1 | C3 | H3 | 177.2° | 179.8° |
| N1 | C7 | C6 | C5 | 1.0° | 0.5° |
| N1 | C7 | C6 | H7 | 180.0° | 179.8° |
| N1 | C7 | C6 | O7 | 178.1° | 179.8° |
| N1 | C3 | C4 | H3 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 1.6° | 0.0° |
| N1 | C3 | C4 | H4 | 178.4° | 180.0° |
| C3 | N1 | C7 | C6 | 2.5° | 0.5° |
| C3 | N1 | C7 | H7 | 177.5° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| H3 | C3 | C4 | C5 | 178.4° | 180.0° |
| H3 | C3 | C4 | H4 | 1.6° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.2° |
| C4 | C5 | C6 | O7 | 179.2° | 180.0° |
| H4 | C4 | C5 | C6 | 179.9° | 180.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| C5 | C6 | C7 | O7 | 179.1° | 179.8° |
| C5 | C6 | C7 | H7 | 179.0° | 179.7° |
| C5 | C6 | O7 | C8 | 7.6° | 0.0° |
| H5 | C5 | C6 | C7 | 179.8° | 179.8° |
| H5 | C5 | C6 | O7 | 0.8° | 0.0° |
| C7 | C6 | O7 | C8 | 173.4° | 179.8° |
| H7 | C7 | C6 | O7 | 1.9° | 0.1° |
| C6 | O7 | C8 | C9 | 176.2° | 180.0° |
| C6 | O7 | C8 | H8 | 56.2° | 60.1° |
| C6 | O7 | C8 | H8A | 63.5° | 60.0° |
| O7 | C8 | C9 | H8 | 120.0° | 120.0° |
| O7 | C8 | C9 | H8A | 120.3° | 120.0° |
| O7 | C8 | H8 | H8A | 120.3° | 120.1° |
| O7 | C8 | C9 | C10 | 176.4° | 180.0° |
| O7 | C8 | C9 | H9 | 56.4° | 60.1° |
| O7 | C8 | C9 | H9A | 64.2° | 60.0° |
| C9 | C8 | H8 | H8A | 120.3° | 120.0° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 119.4° | 120.0° |
| C8 | C9 | H9 | H9A | 119.4° | 120.0° |
| C8 | C9 | C10 | C11 | 178.6° | 180.0° |
| C8 | C9 | C10 | H10 | 61.4° | 60.0° |
| C8 | C9 | C10 | H10A | 59.7° | 60.0° |
| H8 | C8 | C9 | C10 | 63.6° | 60.0° |
| H8 | C8 | C9 | H9 | 176.4° | 180.0° |
| H8 | C8 | C9 | H9A | 55.8° | 60.0° |
| H8A | C8 | C9 | C10 | 56.1° | 60.0° |
| H8A | C8 | C9 | H9 | 63.9° | 60.0° |
| H8A | C8 | C9 | H9A | 175.5° | 180.0° |
| C10 | C9 | H9 | H9A | 119.4° | 120.0° |
| C9 | C10 | C11 | H10 | 120.0° | 119.9° |
| C9 | C10 | C11 | H10A | 118.9° | 120.0° |
| C9 | C10 | H10 | H10A | 118.9° | 120.0° |
| C9 | C10 | C11 | H11 | 74.3° | 60.0° |
| C9 | C10 | C11 | H11A | 165.7° | 59.9° |
| C9 | C10 | C11 | H11B | 45.7° | 180.0° |
| H9 | C9 | C10 | C11 | 58.6° | 60.1° |
| H9 | C9 | C10 | H10 | 178.6° | 180.0° |
| H9 | C9 | C10 | H10A | 60.3° | 60.0° |
| H9A | C9 | C10 | C11 | 62.0° | 60.0° |
| H9A | C9 | C10 | H10 | 58.0° | 59.9° |
| H9A | C9 | C10 | H10A | 179.1° | 179.9° |
| C11 | C10 | H10 | H10A | 118.9° | 120.1° |
| C10 | C11 | H11 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11B | 120.0° | 119.9° |
| C10 | C11 | H11A | H11B | 120.0° | 120.0° |
| H10 | C10 | C11 | H11 | 45.8° | 180.0° |
| H10 | C10 | C11 | H11A | 74.3° | 60.0° |
| H10 | C10 | C11 | H11B | 165.7° | 60.1° |
| H10A | C10 | C11 | H11 | 166.8° | 60.0° |
| H10A | C10 | C11 | H11A | 46.8° | 180.0° |
| H10A | C10 | C11 | H11B | 73.2° | 60.0° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
