8DP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | P1 | doub | 1.48Å | 1.57Å | |
| O5 | C2 | sing | 1.43Å | 1.39Å | |
| O4 | P1 | sing | 1.61Å | 1.63Å | |
| O4 | C1 | sing | 1.43Å | 1.46Å | |
| O3 | P1 | sing | 1.61Å | 1.55Å | |
| P1 | O1 | sing | 1.61Å | 1.54Å | |
| O9 | C16 | doub | 1.22Å | 1.41Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| O7 | C4 | doub | 1.21Å | 1.24Å | |
| C16 | N4 | sing | 1.34Å | 1.32Å | |
| C16 | N5 | sing | 1.34Å | 1.34Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C3 | O6 | sing | 1.43Å | 1.39Å | |
| N4 | C13 | sing | 1.39Å | 1.35Å | |
| N5 | C15 | sing | 1.35Å | 1.34Å | |
| C5 | N1 | sing | 1.46Å | 1.52Å | |
| C13 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C13 | C14 | sing | 1.42Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.40Å | |
| C15 | O8 | doub | 1.21Å | 1.42Å | |
| N1 | C6 | sing | 1.34Å | 1.36Å | Aromatic |
| C14 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C12 | sing | 1.47Å | 1.41Å | Aromatic |
| N3 | C12 | sing | 1.33Å | 1.35Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| C8 | N2 | sing | 1.39Å | 1.45Å | |
| C8 | C9 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | C9 | sing | 1.36Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| N4 | H7 | sing | 0.97Å | 1.00Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| O5 | H14 | sing | 0.97Å | 0.95Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| N5 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | P1 | O4 | 106.2° | 109.5° |
| O2 | P1 | O3 | 109.7° | 109.5° |
| O2 | P1 | O1 | 113.7° | 109.5° |
| O5 | C2 | C1 | 112.2° | 109.5° |
| O5 | C2 | C3 | 114.0° | 109.4° |
| O5 | C2 | H3 | 109.9° | 109.5° |
| C2 | O5 | H14 | 109.5° | 114.1° |
| P1 | O4 | C1 | 113.0° | 123.0° |
| O4 | P1 | O3 | 107.0° | 109.5° |
| O4 | P1 | O1 | 110.9° | 109.5° |
| O4 | C1 | C2 | 112.2° | 109.5° |
| O4 | C1 | H8 | 108.8° | 109.5° |
| O4 | C1 | H9 | 108.8° | 109.5° |
| O3 | P1 | O1 | 109.2° | 109.5° |
| P1 | O3 | H13 | 109.5° | 114.0° |
| P1 | O1 | H12 | 109.5° | 114.0° |
| O9 | C16 | N4 | 121.6° | 118.5° |
| O9 | C16 | N5 | 115.8° | 118.5° |
| C1 | C2 | C3 | 104.3° | 109.5° |
| C1 | C2 | H3 | 107.9° | 109.5° |
| C2 | C1 | H8 | 108.8° | 109.5° |
| C2 | C1 | H9 | 108.8° | 109.5° |
| C2 | C3 | C4 | 111.5° | 109.5° |
| C2 | C3 | O6 | 106.2° | 109.5° |
| C3 | C2 | H3 | 108.1° | 109.4° |
| C2 | C3 | H10 | 108.5° | 109.4° |
| O7 | C4 | C3 | 118.2° | 120.0° |
| O7 | C4 | C5 | 122.7° | 120.0° |
| N4 | C16 | N5 | 122.6° | 123.0° |
| C16 | N4 | C13 | 118.9° | 120.9° |
| C16 | N4 | H7 | 120.5° | 119.6° |
| C16 | N5 | C15 | 121.3° | 121.3° |
| C16 | N5 | H19 | 119.4° | 119.3° |
| C3 | C4 | C5 | 119.0° | 120.0° |
| C4 | C3 | O6 | 111.7° | 109.5° |
| C4 | C3 | H10 | 108.5° | 109.5° |
| C4 | C5 | N1 | 106.7° | 109.5° |
| C4 | C5 | H1 | 110.2° | 109.4° |
| C4 | C5 | H2 | 110.2° | 109.4° |
| C3 | O6 | H6 | 109.5° | 114.0° |
| O6 | C3 | H10 | 110.4° | 109.5° |
| N4 | C13 | N1 | 119.1° | 120.6° |
| N4 | C13 | C14 | 120.7° | 118.6° |
| C13 | N4 | H7 | 120.6° | 119.5° |
| N5 | C15 | C14 | 118.5° | 118.3° |
| N5 | C15 | O8 | 120.3° | 120.8° |
| C15 | N5 | H19 | 119.4° | 119.4° |
| C5 | N1 | C13 | 119.8° | 120.3° |
| C5 | N1 | C6 | 121.1° | 120.2° |
| N1 | C5 | H1 | 110.2° | 109.5° |
| N1 | C5 | H2 | 110.2° | 109.5° |
| N1 | C13 | C14 | 120.2° | 120.8° |
| C13 | N1 | C6 | 119.1° | 119.5° |
| C13 | C14 | C15 | 118.0° | 117.9° |
| C13 | C14 | N3 | 121.3° | 121.3° |
| C14 | C15 | O8 | 121.2° | 120.9° |
| C15 | C14 | N3 | 120.6° | 120.7° |
| N1 | C6 | C7 | 118.9° | 121.6° |
| N1 | C6 | C12 | 120.8° | 119.5° |
| C14 | N3 | C12 | 118.6° | 119.5° |
| C7 | C6 | C12 | 120.2° | 118.9° |
| C6 | C7 | C8 | 119.2° | 119.5° |
| C6 | C7 | H11 | 120.4° | 120.3° |
| C6 | C12 | N3 | 120.0° | 119.4° |
| C6 | C12 | C11 | 120.4° | 119.0° |
| N3 | C12 | C11 | 119.6° | 121.6° |
| C7 | C8 | N2 | 119.9° | 119.3° |
| C7 | C8 | C9 | 120.2° | 121.3° |
| C8 | C7 | H11 | 120.4° | 120.3° |
| C12 | C11 | C9 | 119.5° | 119.8° |
| C12 | C11 | H18 | 120.2° | 120.1° |
| N2 | C8 | C9 | 119.9° | 119.4° |
| C8 | N2 | H4 | 109.5° | 120.0° |
| C8 | N2 | H5 | 109.4° | 120.0° |
| C8 | C9 | C11 | 120.4° | 121.5° |
| C8 | C9 | C10 | 120.5° | 119.2° |
| C11 | C9 | C10 | 119.0° | 119.3° |
| C9 | C11 | H18 | 120.3° | 120.1° |
| C9 | C10 | H15 | 109.5° | 109.5° |
| C9 | C10 | H16 | 109.5° | 109.5° |
| C9 | C10 | H17 | 109.5° | 109.5° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H4 | N2 | H5 | 109.5° | 120.0° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.4° | 109.4° |
| H15 | C10 | H17 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | P1 | O4 | O3 | 117.1° | 120.0° |
| O2 | P1 | O4 | O1 | 124.0° | 120.0° |
| O2 | P1 | O4 | C1 | 179.0° | 55.0° |
| O2 | P1 | O3 | O1 | 125.2° | 120.0° |
| O2 | P1 | O1 | H12 | 0.0° | 60.0° |
| O2 | P1 | O3 | H13 | 0.0° | 180.0° |
| O5 | C2 | C1 | O4 | 8.6° | 65.1° |
| O5 | C2 | C1 | C3 | 123.9° | 120.0° |
| O5 | C2 | C1 | H3 | 121.2° | 120.1° |
| O5 | C2 | C3 | H3 | 122.6° | 120.0° |
| O5 | C2 | C3 | C4 | 40.9° | 60.0° |
| O5 | C2 | C3 | O6 | 162.7° | 180.0° |
| O5 | C2 | C1 | H8 | 129.0° | 54.9° |
| O5 | C2 | C1 | H9 | 111.8° | 174.9° |
| O5 | C2 | C3 | H10 | 78.5° | 60.0° |
| O4 | P1 | O3 | O1 | 120.0° | 120.0° |
| P1 | O4 | C1 | C2 | 175.8° | 180.0° |
| P1 | O4 | C1 | H8 | 63.8° | 60.0° |
| P1 | O4 | C1 | H9 | 55.4° | 60.0° |
| O4 | P1 | O1 | H12 | 119.5° | 180.0° |
| O4 | P1 | O3 | H13 | 114.7° | 60.0° |
| C1 | O4 | P1 | O3 | 61.9° | 65.0° |
| C1 | O4 | P1 | O1 | 57.0° | 175.0° |
| O4 | C1 | C2 | H8 | 120.4° | 120.0° |
| O4 | C1 | C2 | H9 | 120.4° | 120.0° |
| O4 | C1 | C2 | C3 | 132.6° | 175.0° |
| O4 | C1 | C2 | H3 | 112.6° | 55.0° |
| O4 | C1 | H8 | H9 | 118.8° | 120.0° |
| O3 | P1 | O1 | H12 | 122.9° | 60.1° |
| O1 | P1 | O3 | H13 | 125.2° | 59.9° |
| O9 | C16 | N4 | N5 | 180.0° | 180.0° |
| O9 | C16 | N4 | C13 | 179.9° | 180.0° |
| O9 | C16 | N5 | C15 | 179.5° | 180.0° |
| O9 | C16 | N4 | H7 | 0.1° | 0.0° |
| O9 | C16 | N5 | H19 | 0.5° | 0.0° |
| C1 | C2 | C3 | H3 | 114.7° | 120.0° |
| C1 | C2 | C3 | C4 | 163.7° | 180.0° |
| C1 | C2 | C3 | O6 | 74.5° | 60.0° |
| C2 | C1 | H8 | H9 | 118.7° | 120.0° |
| C1 | C2 | C3 | H10 | 44.2° | 60.0° |
| C1 | C2 | O5 | H14 | 134.6° | 60.0° |
| C2 | C3 | C4 | O7 | 57.5° | 105.3° |
| C2 | C3 | C4 | O6 | 118.7° | 120.0° |
| C2 | C3 | C4 | H10 | 119.5° | 119.9° |
| C2 | C3 | C4 | C5 | 121.1° | 75.0° |
| C2 | C3 | O6 | H10 | 117.5° | 119.9° |
| C2 | C3 | O6 | H6 | 180.0° | 60.1° |
| C3 | C2 | C1 | H8 | 107.1° | 65.0° |
| C3 | C2 | C1 | H9 | 12.2° | 55.0° |
| C3 | C2 | O5 | H14 | 16.2° | 60.0° |
| O7 | C4 | C3 | C5 | 178.7° | 179.8° |
| O7 | C4 | C3 | O6 | 176.2° | 14.8° |
| O7 | C4 | C5 | N1 | 54.7° | 0.2° |
| O7 | C4 | C5 | H1 | 64.9° | 119.8° |
| O7 | C4 | C5 | H2 | 174.2° | 120.2° |
| O7 | C4 | C3 | H10 | 61.9° | 134.8° |
| C16 | N4 | C13 | H7 | 180.0° | 180.0° |
| N4 | C16 | N5 | C15 | 0.5° | 0.0° |
| C16 | N4 | C13 | N1 | 179.8° | 180.0° |
| C16 | N4 | C13 | C14 | 0.1° | 0.0° |
| N4 | C16 | N5 | H19 | 179.5° | 179.9° |
| N5 | C16 | N4 | C13 | 0.1° | 0.0° |
| C16 | N5 | C15 | H19 | 180.0° | 179.9° |
| C16 | N5 | C15 | C14 | 0.7° | 0.1° |
| C16 | N5 | C15 | O8 | 179.3° | 179.9° |
| N5 | C16 | N4 | H7 | 179.9° | 179.9° |
| C4 | C3 | O6 | H10 | 120.8° | 120.0° |
| C3 | C4 | C5 | N1 | 126.7° | 180.0° |
| C3 | C4 | C5 | H1 | 113.7° | 60.0° |
| C3 | C4 | C5 | H2 | 7.2° | 60.0° |
| C4 | C3 | C2 | H3 | 81.7° | 60.0° |
| C4 | C3 | O6 | H6 | 58.3° | 60.0° |
| C5 | C4 | C3 | O6 | 2.5° | 165.0° |
| C4 | C5 | N1 | H1 | 119.6° | 120.0° |
| C4 | C5 | N1 | H2 | 119.6° | 120.0° |
| C4 | C5 | N1 | C13 | 90.5° | 90.0° |
| C4 | C5 | N1 | C6 | 88.0° | 90.0° |
| C4 | C5 | H1 | H2 | 121.3° | 119.9° |
| C5 | C4 | C3 | H10 | 119.4° | 45.0° |
| O6 | C3 | C2 | H3 | 40.2° | 60.1° |
| N4 | C13 | N1 | C5 | 1.5° | 0.0° |
| N4 | C13 | N1 | C14 | 179.9° | 180.0° |
| N4 | C13 | C14 | C15 | 0.3° | 0.0° |
| N4 | C13 | N1 | C6 | 179.9° | 180.0° |
| N4 | C13 | C14 | N3 | 179.5° | 179.9° |
| N5 | C15 | C14 | C13 | 0.7° | 0.1° |
| N5 | C15 | C14 | O8 | 179.9° | 179.9° |
| N5 | C15 | C14 | N3 | 179.2° | 180.0° |
| C5 | N1 | C13 | C6 | 178.6° | 180.0° |
| C5 | N1 | C13 | C14 | 178.3° | 180.0° |
| C5 | N1 | C6 | C7 | 1.4° | 0.0° |
| C5 | N1 | C6 | C12 | 178.7° | 179.9° |
| N1 | C5 | H1 | H2 | 121.3° | 120.1° |
| N1 | C13 | C14 | C15 | 179.5° | 180.0° |
| N1 | C13 | C14 | N3 | 0.6° | 0.1° |
| C13 | N1 | C6 | C7 | 179.9° | 180.0° |
| C13 | N1 | C6 | C12 | 0.2° | 0.0° |
| C13 | N1 | C5 | H1 | 29.0° | 150.0° |
| C13 | N1 | C5 | H2 | 149.9° | 29.9° |
| N1 | C13 | N4 | H7 | 0.2° | 0.0° |
| C13 | C14 | C15 | N3 | 179.8° | 179.9° |
| C13 | C14 | C15 | O8 | 179.4° | 180.0° |
| C14 | C13 | N1 | C6 | 0.2° | 0.0° |
| C13 | C14 | N3 | C12 | 0.6° | 0.1° |
| C14 | C13 | N4 | H7 | 179.9° | 180.0° |
| C15 | C14 | N3 | C12 | 179.5° | 180.0° |
| C14 | C15 | N5 | H19 | 179.2° | 180.0° |
| O8 | C15 | C14 | N3 | 0.8° | 0.1° |
| O8 | C15 | N5 | H19 | 0.7° | 0.1° |
| N1 | C6 | C7 | C12 | 179.9° | 180.0° |
| N1 | C6 | C12 | N3 | 0.2° | 0.1° |
| N1 | C6 | C7 | C8 | 179.6° | 180.0° |
| N1 | C6 | C12 | C11 | 180.0° | 179.8° |
| C6 | N1 | C5 | H1 | 152.4° | 30.0° |
| C6 | N1 | C5 | H2 | 31.6° | 150.0° |
| N1 | C6 | C7 | H11 | 0.4° | 0.0° |
| C14 | N3 | C12 | C6 | 0.2° | 0.1° |
| C14 | N3 | C12 | C11 | 179.6° | 179.8° |
| C7 | C6 | C12 | N3 | 179.9° | 179.9° |
| C6 | C7 | C8 | H11 | 180.0° | 180.0° |
| C7 | C6 | C12 | C11 | 0.1° | 0.3° |
| C6 | C7 | C8 | N2 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.5° | 0.2° |
| C6 | C12 | N3 | C11 | 179.9° | 179.7° |
| C12 | C6 | C7 | C8 | 0.3° | 0.0° |
| C6 | C12 | C11 | C9 | 0.4° | 0.3° |
| C12 | C6 | C7 | H11 | 179.7° | 180.0° |
| C6 | C12 | C11 | H18 | 179.6° | 180.0° |
| N3 | C12 | C11 | C9 | 179.8° | 179.9° |
| N3 | C12 | C11 | H18 | 0.2° | 0.3° |
| C7 | C8 | N2 | C9 | 179.6° | 179.8° |
| C7 | C8 | C9 | C11 | 0.2° | 0.2° |
| C7 | C8 | C9 | C10 | 179.8° | 179.8° |
| C7 | C8 | N2 | H4 | 180.0° | 179.7° |
| C7 | C8 | N2 | H5 | 60.0° | 0.2° |
| C12 | C11 | C9 | C8 | 0.3° | 0.0° |
| C12 | C11 | C9 | H18 | 180.0° | 179.7° |
| C12 | C11 | C9 | C10 | 179.8° | 180.0° |
| N2 | C8 | C9 | C11 | 179.7° | 180.0° |
| N2 | C8 | C9 | C10 | 0.2° | 0.0° |
| C8 | N2 | H4 | H5 | 120.0° | 179.9° |
| N2 | C8 | C7 | H11 | 0.0° | 0.0° |
| C8 | C9 | C11 | C10 | 179.9° | 180.0° |
| C9 | C8 | N2 | H4 | 0.4° | 0.1° |
| C9 | C8 | N2 | H5 | 120.4° | 180.0° |
| C9 | C8 | C7 | H11 | 179.5° | 179.8° |
| C8 | C9 | C10 | H15 | 90.0° | 90.0° |
| C8 | C9 | C10 | H16 | 150.0° | 150.0° |
| C8 | C9 | C10 | H17 | 30.0° | 30.0° |
| C8 | C9 | C11 | H18 | 179.8° | 179.8° |
| C11 | C9 | C10 | H15 | 89.9° | 90.0° |
| C11 | C9 | C10 | H16 | 30.0° | 30.0° |
| C11 | C9 | C10 | H17 | 150.1° | 150.0° |
| C9 | C10 | H15 | H16 | 120.0° | 120.0° |
| C9 | C10 | H15 | H17 | 120.0° | 120.1° |
| C9 | C10 | H16 | H17 | 120.0° | 120.0° |
| C10 | C9 | C11 | H18 | 0.2° | 0.2° |
| H3 | C2 | C1 | H8 | 7.8° | 175.0° |
| H3 | C2 | C1 | H9 | 127.0° | 65.0° |
| H3 | C2 | C3 | H10 | 158.9° | 180.0° |
| H3 | C2 | O5 | H14 | 105.4° | 179.9° |
| H6 | O6 | C3 | H10 | 62.5° | 180.0° |
| H15 | C10 | H16 | H17 | 120.0° | 120.0° |
