7O6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P1 | doub | 1.48Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | O5 | sing | 1.43Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O4 | C1 | sing | 1.43Å | 1.39Å | |
| O4 | P1 | sing | 1.61Å | 1.65Å | |
| P1 | O2 | sing | 1.61Å | 1.46Å | |
| P1 | O3 | sing | 1.61Å | 1.46Å | |
| O6 | C3 | sing | 1.43Å | 1.41Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | O7 | sing | 1.43Å | 1.41Å | |
| C5 | N1 | sing | 1.47Å | 1.46Å | |
| O9 | C17 | doub | 1.22Å | 1.38Å | |
| N3 | C17 | sing | 1.34Å | 1.47Å | |
| N3 | C14 | sing | 1.39Å | 1.34Å | |
| N1 | C14 | doub | 1.32Å | 1.40Å | Aromatic |
| N1 | C6 | sing | 1.34Å | 1.41Å | Aromatic |
| C17 | N4 | sing | 1.34Å | 1.43Å | |
| O10 | C9 | doub | 1.21Å | 1.18Å | |
| C7 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.42Å | 1.40Å | Aromatic |
| C6 | C13 | sing | 1.46Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.47Å | 1.53Å | |
| C8 | C10 | doub | 1.41Å | 1.39Å | Aromatic |
| N4 | C16 | sing | 1.35Å | 1.40Å | |
| C15 | C16 | sing | 1.48Å | 1.50Å | |
| C15 | N2 | doub | 1.32Å | 1.36Å | Aromatic |
| C13 | N2 | sing | 1.33Å | 1.36Å | Aromatic |
| C13 | C12 | doub | 1.41Å | 1.40Å | Aromatic |
| C16 | O8 | doub | 1.22Å | 1.39Å | |
| C10 | C12 | sing | 1.36Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| O5 | H10 | sing | 0.97Å | 0.95Å | |
| O6 | H11 | sing | 0.97Å | 0.95Å | |
| O7 | H12 | sing | 0.97Å | 0.95Å | |
| C7 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P1 | O4 | 111.1° | 109.5° |
| O1 | P1 | O2 | 106.2° | 109.5° |
| O1 | P1 | O3 | 107.7° | 109.5° |
| C1 | C2 | O5 | 109.6° | 109.5° |
| C1 | C2 | C3 | 103.9° | 109.5° |
| C2 | C1 | O4 | 111.6° | 109.5° |
| C1 | C2 | H5 | 109.6° | 109.5° |
| C2 | C1 | H6 | 108.9° | 109.5° |
| C2 | C1 | H7 | 109.0° | 109.5° |
| O5 | C2 | C3 | 112.5° | 109.4° |
| O5 | C2 | H5 | 111.4° | 109.5° |
| C2 | O5 | H10 | 109.5° | 114.1° |
| C2 | C3 | O6 | 108.6° | 109.5° |
| C2 | C3 | C4 | 109.4° | 109.5° |
| C2 | C3 | H4 | 106.8° | 109.5° |
| C3 | C2 | H5 | 109.6° | 109.4° |
| C1 | O4 | P1 | 112.8° | 123.0° |
| O4 | C1 | H6 | 108.9° | 109.5° |
| O4 | C1 | H7 | 108.9° | 109.5° |
| O4 | P1 | O2 | 110.6° | 109.5° |
| O4 | P1 | O3 | 112.6° | 109.5° |
| O2 | P1 | O3 | 108.5° | 109.5° |
| P1 | O2 | H8 | 109.5° | 114.0° |
| P1 | O3 | H9 | 109.5° | 114.0° |
| O6 | C3 | C4 | 116.5° | 109.5° |
| O6 | C3 | H4 | 108.2° | 109.5° |
| C3 | O6 | H11 | 109.5° | 114.0° |
| C3 | C4 | C5 | 114.6° | 109.5° |
| C3 | C4 | O7 | 103.3° | 109.4° |
| C3 | C4 | H3 | 106.7° | 109.5° |
| C4 | C3 | H4 | 106.9° | 109.4° |
| C5 | C4 | O7 | 117.5° | 109.5° |
| C4 | C5 | N1 | 115.6° | 109.5° |
| C4 | C5 | H1 | 107.9° | 109.5° |
| C4 | C5 | H2 | 107.9° | 109.5° |
| C5 | C4 | H3 | 106.3° | 109.5° |
| O7 | C4 | H3 | 107.9° | 109.5° |
| C4 | O7 | H12 | 109.5° | 114.0° |
| C5 | N1 | C14 | 121.5° | 120.2° |
| C5 | N1 | C6 | 120.3° | 120.2° |
| N1 | C5 | H1 | 107.9° | 109.5° |
| N1 | C5 | H2 | 107.9° | 109.4° |
| O9 | C17 | N3 | 119.2° | 118.5° |
| O9 | C17 | N4 | 120.6° | 118.5° |
| C17 | N3 | C14 | 118.5° | 120.9° |
| N3 | C17 | N4 | 120.2° | 123.0° |
| C17 | N3 | H19 | 120.7° | 119.5° |
| N3 | C14 | N1 | 116.9° | 120.6° |
| N3 | C14 | C15 | 124.7° | 118.5° |
| C14 | N3 | H19 | 120.7° | 119.5° |
| C14 | N1 | C6 | 118.2° | 119.5° |
| N1 | C14 | C15 | 118.4° | 120.8° |
| N1 | C6 | C7 | 121.2° | 121.5° |
| N1 | C6 | C13 | 119.5° | 119.5° |
| C17 | N4 | C16 | 120.1° | 121.3° |
| C17 | N4 | H20 | 119.9° | 119.3° |
| O10 | C9 | C8 | 117.8° | 120.0° |
| O10 | C9 | H14 | 121.1° | 120.0° |
| C6 | C7 | C8 | 118.8° | 119.3° |
| C7 | C6 | C13 | 119.3° | 119.0° |
| C6 | C7 | H13 | 120.6° | 120.4° |
| C7 | C8 | C9 | 118.7° | 119.4° |
| C7 | C8 | C10 | 123.1° | 121.1° |
| C8 | C7 | H13 | 120.6° | 120.4° |
| C14 | C15 | C16 | 117.5° | 117.9° |
| C14 | C15 | N2 | 124.0° | 121.3° |
| C6 | C13 | N2 | 122.3° | 119.4° |
| C6 | C13 | C12 | 120.5° | 119.2° |
| C9 | C8 | C10 | 118.3° | 119.5° |
| C8 | C9 | H14 | 121.1° | 120.0° |
| C8 | C10 | C12 | 118.2° | 121.5° |
| C8 | C10 | C11 | 120.6° | 119.3° |
| N4 | C16 | C15 | 119.0° | 118.3° |
| N4 | C16 | O8 | 119.7° | 120.9° |
| C16 | N4 | H20 | 120.0° | 119.4° |
| C16 | C15 | N2 | 118.5° | 120.8° |
| C15 | C16 | O8 | 121.2° | 120.8° |
| C15 | N2 | C13 | 117.5° | 119.5° |
| N2 | C13 | C12 | 117.2° | 121.4° |
| C13 | C12 | C10 | 120.2° | 119.9° |
| C13 | C12 | H18 | 119.9° | 120.1° |
| C12 | C10 | C11 | 121.2° | 119.3° |
| C10 | C12 | H18 | 119.9° | 120.0° |
| C10 | C11 | H15 | 109.5° | 109.5° |
| C10 | C11 | H16 | 109.4° | 109.5° |
| C10 | C11 | H17 | 109.5° | 109.5° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.4° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H15 | C11 | H17 | 109.5° | 109.4° |
| H16 | C11 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P1 | O4 | C1 | 75.0° | 55.0° |
| O1 | P1 | O4 | O2 | 117.6° | 120.0° |
| O1 | P1 | O4 | O3 | 120.9° | 120.0° |
| O1 | P1 | O2 | O3 | 115.4° | 120.0° |
| O1 | P1 | O2 | H8 | 0.0° | 180.0° |
| O1 | P1 | O3 | H9 | 0.0° | 60.0° |
| C1 | C2 | O5 | C3 | 115.0° | 120.0° |
| C1 | C2 | O5 | H5 | 121.5° | 120.0° |
| C1 | C2 | C3 | H5 | 117.1° | 120.0° |
| C2 | C1 | O4 | H6 | 120.3° | 120.0° |
| C2 | C1 | O4 | H7 | 120.3° | 120.0° |
| C2 | C1 | O4 | P1 | 175.0° | 180.0° |
| C1 | C2 | C3 | O6 | 67.0° | 60.0° |
| C1 | C2 | C3 | C4 | 164.8° | 180.0° |
| C1 | C2 | C3 | H4 | 49.5° | 60.0° |
| C2 | C1 | H6 | H7 | 119.0° | 120.0° |
| C1 | C2 | O5 | H10 | 180.0° | 60.0° |
| O5 | C2 | C3 | H5 | 124.5° | 120.0° |
| O5 | C2 | C1 | O4 | 27.0° | 65.0° |
| O5 | C2 | C3 | O6 | 174.6° | 180.0° |
| O5 | C2 | C3 | C4 | 46.4° | 60.0° |
| O5 | C2 | C3 | H4 | 69.0° | 60.0° |
| O5 | C2 | C1 | H6 | 93.3° | 55.0° |
| O5 | C2 | C1 | H7 | 147.3° | 175.0° |
| C3 | C2 | C1 | O4 | 147.4° | 175.0° |
| C2 | C3 | O6 | C4 | 124.1° | 120.0° |
| C2 | C3 | O6 | H4 | 115.6° | 120.0° |
| C2 | C3 | C4 | H4 | 115.3° | 120.0° |
| C2 | C3 | C4 | C5 | 143.9° | 180.0° |
| C2 | C3 | C4 | O7 | 87.0° | 60.0° |
| C2 | C3 | C4 | H3 | 26.7° | 60.0° |
| C3 | C2 | C1 | H6 | 27.1° | 65.0° |
| C3 | C2 | C1 | H7 | 92.3° | 55.0° |
| C3 | C2 | O5 | H10 | 65.0° | 60.0° |
| C2 | C3 | O6 | H11 | 180.0° | 60.0° |
| C1 | O4 | P1 | O2 | 167.4° | 65.0° |
| C1 | O4 | P1 | O3 | 45.9° | 175.0° |
| O4 | C1 | C2 | H5 | 95.5° | 55.0° |
| O4 | C1 | H6 | H7 | 119.0° | 120.0° |
| O4 | P1 | O2 | O3 | 124.0° | 120.0° |
| P1 | O4 | C1 | H6 | 64.7° | 60.0° |
| P1 | O4 | C1 | H7 | 54.6° | 60.0° |
| O4 | P1 | O2 | H8 | 120.6° | 60.1° |
| O4 | P1 | O3 | H9 | 122.8° | 180.0° |
| O2 | P1 | O3 | H9 | 114.5° | 60.0° |
| O3 | P1 | O2 | H8 | 115.5° | 59.9° |
| O6 | C3 | C4 | H4 | 121.1° | 120.0° |
| O6 | C3 | C4 | C5 | 20.3° | 60.0° |
| O6 | C3 | C4 | O7 | 149.4° | 180.0° |
| O6 | C3 | C4 | H3 | 96.9° | 60.1° |
| O6 | C3 | C2 | H5 | 50.1° | 60.0° |
| C3 | C4 | C5 | O7 | 121.6° | 120.0° |
| C3 | C4 | C5 | H3 | 117.5° | 120.0° |
| C3 | C4 | O7 | H3 | 112.7° | 120.0° |
| C3 | C4 | C5 | N1 | 111.7° | 175.0° |
| C3 | C4 | C5 | H1 | 127.4° | 55.0° |
| C3 | C4 | C5 | H2 | 9.2° | 65.0° |
| C4 | C3 | C2 | H5 | 78.1° | 60.0° |
| C4 | C3 | O6 | H11 | 55.9° | 60.0° |
| C3 | C4 | O7 | H12 | 180.0° | 60.0° |
| C5 | C4 | O7 | H3 | 120.0° | 120.0° |
| C4 | C5 | N1 | H1 | 120.9° | 120.0° |
| C4 | C5 | N1 | H2 | 120.9° | 120.0° |
| C4 | C5 | N1 | C14 | 79.7° | 90.0° |
| C4 | C5 | N1 | C6 | 102.7° | 90.0° |
| C4 | C5 | H1 | H2 | 117.2° | 120.0° |
| C5 | C4 | C3 | H4 | 100.7° | 60.0° |
| C5 | C4 | O7 | H12 | 52.8° | 60.0° |
| O7 | C4 | C5 | N1 | 9.9° | 65.0° |
| O7 | C4 | C5 | H1 | 111.0° | 175.0° |
| O7 | C4 | C5 | H2 | 130.8° | 55.0° |
| O7 | C4 | C3 | H4 | 28.3° | 60.0° |
| C5 | N1 | C14 | N3 | 1.0° | 0.1° |
| C5 | N1 | C14 | C6 | 177.6° | 180.0° |
| C5 | N1 | C6 | C7 | 1.6° | 0.3° |
| C5 | N1 | C14 | C15 | 179.9° | 179.9° |
| C5 | N1 | C6 | C13 | 179.7° | 180.0° |
| N1 | C5 | H1 | H2 | 117.2° | 120.0° |
| N1 | C5 | C4 | H3 | 130.8° | 55.0° |
| O9 | C17 | N3 | N4 | 179.8° | 179.9° |
| O9 | C17 | N3 | C14 | 179.3° | 179.9° |
| O9 | C17 | N4 | C16 | 178.8° | 180.0° |
| O9 | C17 | N3 | H19 | 0.7° | 0.1° |
| O9 | C17 | N4 | H20 | 1.2° | 0.0° |
| C17 | N3 | C14 | H19 | 180.0° | 179.9° |
| C17 | N3 | C14 | N1 | 178.8° | 180.0° |
| C17 | N3 | C14 | C15 | 0.2° | 0.2° |
| N3 | C17 | N4 | C16 | 1.0° | 0.0° |
| N3 | C17 | N4 | H20 | 179.0° | 180.0° |
| N3 | C14 | N1 | C15 | 179.1° | 179.9° |
| N3 | C14 | N1 | C6 | 178.7° | 179.9° |
| C14 | N3 | C17 | N4 | 0.6° | 0.1° |
| N3 | C14 | C15 | C16 | 0.5° | 0.1° |
| N3 | C14 | C15 | N2 | 179.6° | 180.0° |
| C14 | N1 | C6 | C7 | 179.3° | 179.7° |
| C14 | N1 | C6 | C13 | 2.1° | 0.0° |
| N1 | C14 | C15 | C16 | 178.5° | 180.0° |
| N1 | C14 | C15 | N2 | 1.4° | 0.1° |
| C14 | N1 | C5 | H1 | 41.2° | 30.0° |
| C14 | N1 | C5 | H2 | 159.4° | 150.0° |
| N1 | C14 | N3 | H19 | 1.2° | 0.1° |
| N1 | C6 | C7 | C13 | 178.7° | 179.7° |
| N1 | C6 | C7 | C8 | 179.3° | 179.7° |
| C6 | N1 | C14 | C15 | 2.2° | 0.1° |
| N1 | C6 | C13 | N2 | 1.1° | 0.0° |
| N1 | C6 | C13 | C12 | 179.2° | 179.7° |
| C6 | N1 | C5 | H1 | 136.4° | 150.0° |
| C6 | N1 | C5 | H2 | 18.2° | 30.0° |
| N1 | C6 | C7 | H13 | 0.7° | 0.3° |
| C17 | N4 | C16 | H20 | 180.0° | 180.0° |
| C17 | N4 | C16 | C15 | 0.7° | 0.0° |
| C17 | N4 | C16 | O8 | 179.7° | 180.0° |
| N4 | C17 | N3 | H19 | 179.5° | 180.0° |
| O10 | C9 | C8 | C7 | 28.8° | 5.4° |
| O10 | C9 | C8 | H14 | 180.0° | 180.0° |
| O10 | C9 | C8 | C10 | 150.9° | 174.6° |
| C6 | C7 | C8 | H13 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 179.9° | 180.0° |
| C6 | C7 | C8 | C10 | 0.5° | 0.0° |
| C7 | C6 | C13 | N2 | 179.7° | 179.7° |
| C7 | C6 | C13 | C12 | 0.5° | 0.0° |
| C8 | C7 | C6 | C13 | 0.6° | 0.0° |
| C7 | C8 | C9 | C10 | 179.7° | 180.0° |
| C7 | C8 | C10 | C12 | 0.2° | 0.1° |
| C7 | C8 | C10 | C11 | 179.3° | 180.0° |
| C7 | C8 | C9 | H14 | 151.2° | 174.7° |
| C14 | C15 | C16 | N4 | 0.0° | 0.0° |
| C14 | C15 | C16 | N2 | 179.9° | 179.9° |
| C14 | C15 | N2 | C13 | 0.3° | 0.1° |
| C14 | C15 | C16 | O8 | 179.5° | 180.0° |
| C15 | C14 | N3 | H19 | 179.7° | 180.0° |
| C6 | C13 | N2 | C15 | 0.2° | 0.0° |
| C6 | C13 | N2 | C12 | 179.7° | 179.7° |
| C6 | C13 | C12 | C10 | 0.3° | 0.1° |
| C13 | C6 | C7 | H13 | 179.4° | 179.9° |
| C6 | C13 | C12 | H18 | 179.7° | 180.0° |
| C9 | C8 | C10 | C12 | 179.9° | 179.9° |
| C9 | C8 | C10 | C11 | 0.3° | 0.0° |
| C9 | C8 | C7 | H13 | 0.1° | 0.1° |
| C8 | C10 | C12 | C13 | 0.1° | 0.1° |
| C8 | C10 | C12 | C11 | 179.5° | 179.9° |
| C10 | C8 | C7 | H13 | 179.5° | 179.9° |
| C10 | C8 | C9 | H14 | 29.1° | 5.3° |
| C8 | C10 | C11 | H15 | 89.8° | 84.5° |
| C8 | C10 | C11 | H16 | 150.2° | 155.5° |
| C8 | C10 | C11 | H17 | 30.2° | 35.4° |
| C8 | C10 | C12 | H18 | 179.9° | 180.0° |
| N4 | C16 | C15 | O8 | 179.5° | 180.0° |
| N4 | C16 | C15 | N2 | 180.0° | 179.9° |
| C16 | C15 | N2 | C13 | 179.6° | 180.0° |
| C15 | C16 | N4 | H20 | 179.3° | 180.0° |
| C15 | N2 | C13 | C12 | 179.9° | 179.7° |
| N2 | C15 | C16 | O8 | 0.4° | 0.1° |
| N2 | C13 | C12 | C10 | 180.0° | 179.7° |
| N2 | C13 | C12 | H18 | 0.0° | 0.4° |
| C13 | C12 | C10 | H18 | 180.0° | 179.9° |
| C13 | C12 | C10 | C11 | 179.4° | 180.0° |
| O8 | C16 | N4 | H20 | 0.3° | 0.0° |
| C12 | C10 | C11 | H15 | 89.8° | 95.4° |
| C12 | C10 | C11 | H16 | 30.2° | 24.6° |
| C12 | C10 | C11 | H17 | 150.2° | 144.6° |
| C10 | C11 | H15 | H16 | 120.0° | 120.0° |
| C10 | C11 | H15 | H17 | 120.0° | 120.0° |
| C10 | C11 | H16 | H17 | 120.0° | 120.0° |
| C11 | C10 | C12 | H18 | 0.6° | 0.1° |
| H1 | C5 | C4 | H3 | 9.9° | 65.0° |
| H2 | C5 | C4 | H3 | 108.3° | 174.9° |
| H3 | C4 | C3 | H4 | 142.0° | 180.0° |
| H3 | C4 | O7 | H12 | 67.2° | 180.0° |
| H4 | C3 | C2 | H5 | 166.6° | 180.0° |
| H4 | C3 | O6 | H11 | 64.4° | 180.0° |
| H5 | C2 | C1 | H6 | 144.1° | 175.1° |
| H5 | C2 | C1 | H7 | 24.8° | 65.0° |
| H5 | C2 | O5 | H10 | 58.5° | 180.0° |
| H15 | C11 | H16 | H17 | 120.0° | 119.9° |
