F86
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C4 | sing | 1.53Å | 1.53Å | |
| C6 | O4 | sing | 1.43Å | 1.42Å | |
| O5 | P1 | doub | 1.48Å | 1.48Å | |
| O3 | C3 | sing | 1.43Å | 1.41Å | |
| C4 | O1 | sing | 1.44Å | 1.41Å | |
| C4 | C3 | sing | 1.54Å | 1.52Å | |
| N3 | C8 | trip | 1.14Å | 1.16Å | |
| P1 | O4 | sing | 1.61Å | 1.70Å | |
| P1 | O6 | sing | 1.61Å | 1.48Å | |
| O1 | C1 | sing | 1.44Å | 1.42Å | |
| C3 | C2 | sing | 1.55Å | 1.53Å | |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| C8 | C1 | sing | 1.47Å | 1.48Å | |
| C2 | C1 | sing | 1.55Å | 1.55Å | |
| C1 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C7 | doub | 1.36Å | 1.39Å | Aromatic |
| C5 | N1 | sing | 1.35Å | 1.39Å | Aromatic |
| C7 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| N2 | N1 | sing | 1.40Å | 1.33Å | Aromatic |
| N2 | C12 | doub | 1.30Å | 1.36Å | Aromatic |
| N1 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C12 | N4 | sing | 1.33Å | 1.36Å | Aromatic |
| C11 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
| C11 | N5 | sing | 1.38Å | 1.39Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O2 | H5 | sing | 0.97Å | 0.95Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| O6 | H7 | sing | 0.97Å | 0.95Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| N5 | H11 | sing | 0.97Å | 1.00Å | |
| N5 | H12 | sing | 0.97Å | 1.00Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| P1 | O7 | sing | 1.61Å | 1.72Å | |
| O7 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C6 | O4 | 112.7° | 109.5° |
| C6 | C4 | O1 | 109.9° | 110.4° |
| C6 | C4 | C3 | 114.0° | 110.4° |
| C4 | C6 | H1 | 108.7° | 109.4° |
| C4 | C6 | H2 | 108.7° | 109.4° |
| C6 | C4 | H4 | 108.4° | 110.3° |
| C6 | O4 | P1 | 119.5° | 123.0° |
| O4 | C6 | H1 | 108.6° | 109.5° |
| O4 | C6 | H2 | 108.6° | 109.5° |
| O5 | P1 | O4 | 108.0° | 109.4° |
| O5 | P1 | O6 | 119.0° | 109.5° |
| O5 | P1 | O7 | 109.1° | 109.5° |
| O3 | C3 | C4 | 109.2° | 110.5° |
| O3 | C3 | C2 | 114.1° | 110.6° |
| O3 | C3 | H10 | 110.9° | 110.5° |
| C3 | O3 | H13 | 109.5° | 114.0° |
| O1 | C4 | C3 | 105.9° | 104.8° |
| C4 | O1 | C1 | 111.7° | 105.3° |
| O1 | C4 | H4 | 110.0° | 110.4° |
| C4 | C3 | C2 | 103.5° | 104.1° |
| C3 | C4 | H4 | 108.6° | 110.5° |
| C4 | C3 | H10 | 109.5° | 110.5° |
| N3 | C8 | C1 | 179.8° | 180.0° |
| O4 | P1 | O6 | 107.4° | 109.4° |
| O4 | P1 | O7 | 102.8° | 109.5° |
| P1 | O6 | H7 | 109.5° | 114.1° |
| O6 | P1 | O7 | 109.4° | 109.5° |
| O1 | C1 | C8 | 106.6° | 110.3° |
| O1 | C1 | C2 | 105.8° | 104.8° |
| O1 | C1 | C5 | 104.7° | 110.5° |
| C3 | C2 | O2 | 111.9° | 110.6° |
| C3 | C2 | C1 | 104.7° | 104.1° |
| C3 | C2 | H3 | 108.8° | 110.5° |
| C2 | C3 | H10 | 109.3° | 110.5° |
| O2 | C2 | C1 | 112.3° | 110.5° |
| O2 | C2 | H3 | 110.4° | 110.5° |
| C2 | O2 | H5 | 109.5° | 114.0° |
| C8 | C1 | C2 | 114.0° | 110.3° |
| C8 | C1 | C5 | 111.9° | 110.4° |
| C2 | C1 | C5 | 112.9° | 110.4° |
| C1 | C2 | H3 | 108.6° | 110.5° |
| C1 | C5 | C7 | 129.1° | 125.4° |
| C1 | C5 | N1 | 123.1° | 125.5° |
| C7 | C5 | N1 | 107.8° | 109.1° |
| C5 | C7 | C10 | 111.6° | 107.9° |
| C5 | C7 | H6 | 124.2° | 126.0° |
| C5 | N1 | N2 | 127.5° | 133.2° |
| C5 | N1 | C9 | 105.3° | 108.6° |
| C7 | C10 | C9 | 100.2° | 106.8° |
| C10 | C7 | H6 | 124.2° | 126.1° |
| C7 | C10 | H8 | 129.9° | 126.6° |
| N1 | N2 | C12 | 111.4° | 120.1° |
| N2 | N1 | C9 | 127.3° | 118.3° |
| N2 | C12 | N4 | 128.3° | 122.3° |
| N2 | C12 | H9 | 115.9° | 118.8° |
| N1 | C9 | C10 | 115.1° | 107.6° |
| N1 | C9 | C11 | 116.6° | 118.6° |
| C10 | C9 | C11 | 128.3° | 133.8° |
| C9 | C10 | H8 | 129.9° | 126.5° |
| C9 | C11 | N4 | 119.5° | 119.2° |
| C9 | C11 | N5 | 122.8° | 120.5° |
| C12 | N4 | C11 | 117.0° | 121.6° |
| N4 | C12 | H9 | 115.9° | 118.9° |
| N4 | C11 | N5 | 117.7° | 120.4° |
| C11 | N5 | H11 | 109.5° | 120.1° |
| C11 | N5 | H12 | 109.5° | 120.0° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H11 | N5 | H12 | 109.4° | 119.9° |
| P1 | O7 | H14 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C6 | O4 | H1 | 120.5° | 119.9° |
| C4 | C6 | O4 | H2 | 120.5° | 120.0° |
| C6 | C4 | C3 | O3 | 88.1° | 98.5° |
| C6 | C4 | O1 | C3 | 123.6° | 118.9° |
| C6 | C4 | O1 | H4 | 119.3° | 122.2° |
| C6 | C4 | C3 | H4 | 121.0° | 122.3° |
| C4 | C6 | O4 | P1 | 122.2° | 180.0° |
| C6 | C4 | O1 | C1 | 149.6° | 159.3° |
| C6 | C4 | C3 | C2 | 150.0° | 142.8° |
| C4 | C6 | H1 | H2 | 118.5° | 120.0° |
| C6 | C4 | C3 | H10 | 33.6° | 24.1° |
| C6 | O4 | P1 | O5 | 66.5° | 55.0° |
| O4 | C6 | C4 | O1 | 36.6° | 66.5° |
| O4 | C6 | C4 | C3 | 82.0° | 178.1° |
| C6 | O4 | P1 | O6 | 164.0° | 65.0° |
| O4 | C6 | H1 | H2 | 118.5° | 120.1° |
| O4 | C6 | C4 | H4 | 156.9° | 55.8° |
| C6 | O4 | P1 | O7 | 48.7° | 175.0° |
| O5 | P1 | O4 | O6 | 129.5° | 120.0° |
| O5 | P1 | O4 | O7 | 115.2° | 120.0° |
| O5 | P1 | O6 | O7 | 126.2° | 120.0° |
| O5 | P1 | O6 | H7 | 0.0° | 180.0° |
| O5 | P1 | O7 | H14 | 0.0° | 60.1° |
| O3 | C3 | C4 | O1 | 151.0° | 142.6° |
| O3 | C3 | C4 | C2 | 121.9° | 118.7° |
| O3 | C3 | C4 | H10 | 121.6° | 122.7° |
| O3 | C3 | C2 | H10 | 124.9° | 122.7° |
| O3 | C3 | C2 | O2 | 18.6° | 0.0° |
| O3 | C3 | C2 | C1 | 140.4° | 118.6° |
| O3 | C3 | C2 | H3 | 103.6° | 122.7° |
| O3 | C3 | C4 | H4 | 32.9° | 23.8° |
| O1 | C4 | C3 | H4 | 118.1° | 118.9° |
| O1 | C4 | C3 | C2 | 29.1° | 23.9° |
| C4 | O1 | C1 | C8 | 110.3° | 78.3° |
| C4 | O1 | C1 | C2 | 11.4° | 40.5° |
| C4 | O1 | C1 | C5 | 130.9° | 159.4° |
| O1 | C4 | C6 | H1 | 83.9° | 173.6° |
| O1 | C4 | C6 | H2 | 157.1° | 53.5° |
| O1 | C4 | C3 | H10 | 87.3° | 94.7° |
| C3 | C4 | O1 | C1 | 26.0° | 40.5° |
| C4 | C3 | C2 | H10 | 116.6° | 118.6° |
| C4 | C3 | C2 | O2 | 99.9° | 118.7° |
| C4 | C3 | C2 | C1 | 21.9° | 0.0° |
| C3 | C4 | C6 | H1 | 157.5° | 58.2° |
| C3 | C4 | C6 | H2 | 38.4° | 61.8° |
| C4 | C3 | C2 | H3 | 137.8° | 118.6° |
| C4 | C3 | O3 | H13 | 180.0° | 180.0° |
| N3 | C8 | C1 | O1 | 33.9° | 125.3° |
| N3 | C8 | C1 | C2 | 82.4° | 119.3° |
| N3 | C8 | C1 | C5 | 147.8° | 3.0° |
| O4 | P1 | O6 | O7 | 110.8° | 120.0° |
| P1 | O4 | C6 | H1 | 1.7° | 60.1° |
| P1 | O4 | C6 | H2 | 117.4° | 60.0° |
| O4 | P1 | O6 | H7 | 122.9° | 60.0° |
| O4 | P1 | O7 | H14 | 114.4° | 180.0° |
| O6 | P1 | O7 | H14 | 131.7° | 60.0° |
| O1 | C1 | C2 | C3 | 7.6° | 24.0° |
| O1 | C1 | C2 | O2 | 114.0° | 142.7° |
| O1 | C1 | C8 | C2 | 116.3° | 115.3° |
| O1 | C1 | C8 | C5 | 113.9° | 122.4° |
| O1 | C1 | C2 | C5 | 113.9° | 119.0° |
| O1 | C1 | C5 | C7 | 15.7° | 121.9° |
| O1 | C1 | C5 | N1 | 165.6° | 57.7° |
| O1 | C1 | C2 | H3 | 123.7° | 94.7° |
| C1 | O1 | C4 | H4 | 91.1° | 78.5° |
| C3 | C2 | O2 | C1 | 117.4° | 114.7° |
| C3 | C2 | O2 | H3 | 121.3° | 122.7° |
| C3 | C2 | C1 | C8 | 124.4° | 94.8° |
| C3 | C2 | C1 | H3 | 116.1° | 118.7° |
| C3 | C2 | C1 | C5 | 106.4° | 143.0° |
| C2 | C3 | C4 | H4 | 89.0° | 94.9° |
| C3 | C2 | O2 | H5 | 180.0° | 65.3° |
| C2 | C3 | O3 | H13 | 64.7° | 65.3° |
| O2 | C2 | C1 | C8 | 2.8° | 24.0° |
| O2 | C2 | C1 | H3 | 122.3° | 122.6° |
| O2 | C2 | C1 | C5 | 132.1° | 98.3° |
| O2 | C2 | C3 | H10 | 143.5° | 122.7° |
| C8 | C1 | C2 | C5 | 129.2° | 122.3° |
| C8 | C1 | C5 | C7 | 130.8° | 115.8° |
| C8 | C1 | C5 | N1 | 50.5° | 64.6° |
| C8 | C1 | C2 | H3 | 119.5° | 146.6° |
| C2 | C1 | C5 | C7 | 98.9° | 6.5° |
| C2 | C1 | C5 | N1 | 79.8° | 173.1° |
| C1 | C2 | O2 | H5 | 62.6° | 180.0° |
| C1 | C2 | C3 | H10 | 94.7° | 118.6° |
| C1 | C5 | C7 | N1 | 178.8° | 179.7° |
| C1 | C5 | C7 | C10 | 179.0° | 179.7° |
| C1 | C5 | N1 | N2 | 1.0° | 0.4° |
| C1 | C5 | N1 | C9 | 178.7° | 179.7° |
| C5 | C1 | C2 | H3 | 9.7° | 24.3° |
| C1 | C5 | C7 | H6 | 1.0° | 0.3° |
| C5 | C7 | C10 | H6 | 180.0° | 180.0° |
| C7 | C5 | N1 | N2 | 179.9° | 179.9° |
| C7 | C5 | N1 | C9 | 0.2° | 0.0° |
| C5 | C7 | C10 | C9 | 0.5° | 0.0° |
| C5 | C7 | C10 | H8 | 179.5° | 180.0° |
| N1 | C5 | C7 | C10 | 0.2° | 0.0° |
| C5 | N1 | N2 | C9 | 179.7° | 179.9° |
| C5 | N1 | N2 | C12 | 179.7° | 180.0° |
| C5 | N1 | C9 | C10 | 0.6° | 0.0° |
| C5 | N1 | C9 | C11 | 179.1° | 180.0° |
| N1 | C5 | C7 | H6 | 179.8° | 180.0° |
| C7 | C10 | C9 | N1 | 0.6° | 0.0° |
| C7 | C10 | C9 | H8 | 180.0° | 180.0° |
| C7 | C10 | C9 | C11 | 179.0° | 180.0° |
| N2 | N1 | C9 | C10 | 179.7° | 179.9° |
| N2 | N1 | C9 | C11 | 0.6° | 0.1° |
| N1 | N2 | C12 | N4 | 1.3° | 0.1° |
| N1 | N2 | C12 | H9 | 178.7° | 180.0° |
| C12 | N2 | N1 | C9 | 0.0° | 0.1° |
| N2 | C12 | N4 | H9 | 180.0° | 179.9° |
| N2 | C12 | N4 | C11 | 1.7° | 0.2° |
| N1 | C9 | C10 | C11 | 179.6° | 180.0° |
| N1 | C9 | C11 | N4 | 0.1° | 0.1° |
| N1 | C9 | C11 | N5 | 179.6° | 180.0° |
| N1 | C9 | C10 | H8 | 179.3° | 180.0° |
| C10 | C9 | C11 | N4 | 179.7° | 179.9° |
| C10 | C9 | C11 | N5 | 0.8° | 0.0° |
| C9 | C10 | C7 | H6 | 179.5° | 180.0° |
| C9 | C11 | N4 | C12 | 0.9° | 0.2° |
| C9 | C11 | N4 | N5 | 179.5° | 179.9° |
| C11 | C9 | C10 | H8 | 1.0° | 0.0° |
| C9 | C11 | N5 | H11 | 179.5° | 179.9° |
| C9 | C11 | N5 | H12 | 59.5° | 0.1° |
| C12 | N4 | C11 | N5 | 178.6° | 180.0° |
| C11 | N4 | C12 | H9 | 178.3° | 179.9° |
| N4 | C11 | N5 | H11 | 0.0° | 0.1° |
| N4 | C11 | N5 | H12 | 120.0° | 179.9° |
| C11 | N5 | H11 | H12 | 120.0° | 180.0° |
| H1 | C6 | C4 | H4 | 36.4° | 64.2° |
| H2 | C6 | C4 | H4 | 82.7° | 175.8° |
| H3 | C2 | O2 | H5 | 58.7° | 57.4° |
| H3 | C2 | C3 | H10 | 21.3° | 0.0° |
| H4 | C4 | C3 | H10 | 154.6° | 146.4° |
| H6 | C7 | C10 | H8 | 0.5° | 0.1° |
| H7 | O6 | P1 | O7 | 126.2° | 60.0° |
| H10 | C3 | O3 | H13 | 59.3° | 57.4° |
