FO2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | C12 | sing | 1.47Å | 1.46Å | |
| N5 | C13 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C14 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.37Å | Aromatic |
| C7 | N4 | doub | 1.31Å | 1.32Å | Aromatic |
| C9 | N3 | sing | 1.36Å | 1.34Å | Aromatic |
| N4 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| N3 | C2 | sing | 1.40Å | 1.41Å | |
| N2 | C3 | sing | 1.35Å | 1.36Å | |
| N2 | C6 | doub | 1.30Å | 1.29Å | |
| C2 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | N | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C6 | N1 | sing | 1.36Å | 1.34Å | |
| N | C1 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C5 | sing | 1.36Å | 1.33Å | |
| C4 | C5 | sing | 1.47Å | 1.45Å | |
| C4 | C | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | O | doub | 1.22Å | 1.21Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N5 | C12 | 110.7° | 111.0° |
| C15 | N5 | C13 | 110.7° | 111.0° |
| N5 | C15 | H15 | 109.5° | 109.5° |
| N5 | C15 | H16 | 109.5° | 109.5° |
| N5 | C15 | H17 | 109.4° | 109.5° |
| C12 | N5 | C13 | 109.4° | 111.2° |
| N5 | C12 | C11 | 111.2° | 109.5° |
| N5 | C12 | H18 | 109.0° | 109.5° |
| N5 | C12 | H19 | 109.1° | 109.4° |
| N5 | C13 | C14 | 111.1° | 109.5° |
| N5 | C13 | H12 | 109.0° | 109.5° |
| N5 | C13 | H13 | 109.0° | 109.5° |
| C12 | C11 | C10 | 109.4° | 109.3° |
| C12 | C11 | H7 | 109.5° | 109.5° |
| C12 | C11 | H8 | 109.5° | 109.6° |
| C11 | C12 | H18 | 109.0° | 109.5° |
| C11 | C12 | H19 | 109.0° | 109.4° |
| C13 | C14 | C10 | 109.4° | 109.3° |
| C13 | C14 | H10 | 109.5° | 109.6° |
| C13 | C14 | H11 | 109.5° | 109.5° |
| C14 | C13 | H12 | 109.1° | 109.4° |
| C14 | C13 | H13 | 109.1° | 109.5° |
| C11 | C10 | C14 | 109.0° | 109.2° |
| C11 | C10 | C8 | 112.6° | 109.5° |
| C11 | C10 | H6 | 107.6° | 109.5° |
| C10 | C11 | H7 | 109.5° | 109.5° |
| C10 | C11 | H8 | 109.5° | 109.5° |
| C14 | C10 | C8 | 111.9° | 109.5° |
| C14 | C10 | H6 | 107.6° | 109.5° |
| C10 | C14 | H10 | 109.5° | 109.5° |
| C10 | C14 | H11 | 109.5° | 109.5° |
| C10 | C8 | C7 | 125.4° | 126.1° |
| C10 | C8 | C9 | 130.3° | 126.0° |
| C8 | C10 | H6 | 107.9° | 109.6° |
| C7 | C8 | C9 | 104.3° | 108.0° |
| C8 | C7 | N4 | 112.6° | 108.4° |
| C8 | C7 | H4 | 123.7° | 125.8° |
| C8 | C9 | N3 | 107.2° | 107.6° |
| C8 | C9 | H5 | 126.4° | 126.2° |
| C7 | N4 | N3 | 104.2° | 108.3° |
| N4 | C7 | H4 | 123.7° | 125.8° |
| C9 | N3 | N4 | 111.8° | 107.8° |
| C9 | N3 | C2 | 128.6° | 126.1° |
| N3 | C9 | H5 | 126.4° | 126.2° |
| N4 | N3 | C2 | 119.2° | 126.2° |
| N3 | C2 | C3 | 120.3° | 120.0° |
| N3 | C2 | N | 113.6° | 120.0° |
| C3 | N2 | C6 | 116.7° | 121.5° |
| N2 | C3 | C2 | 123.6° | 122.5° |
| N2 | C3 | C4 | 121.9° | 119.1° |
| N2 | C6 | N1 | 125.3° | 123.5° |
| N2 | C6 | H3 | 117.3° | 118.3° |
| C3 | C2 | N | 125.3° | 120.0° |
| C2 | C3 | C4 | 114.4° | 118.4° |
| C2 | N | C1 | 116.5° | 122.7° |
| C3 | C4 | C5 | 118.1° | 118.2° |
| C3 | C4 | C | 121.1° | 118.9° |
| C6 | N1 | C5 | 123.0° | 120.5° |
| C6 | N1 | H2 | 118.5° | 119.7° |
| N1 | C6 | H3 | 117.4° | 118.2° |
| N | C1 | C | 124.3° | 121.5° |
| N | C1 | H1 | 117.9° | 119.3° |
| N1 | C5 | C4 | 114.8° | 117.2° |
| N1 | C5 | O | 121.3° | 121.4° |
| C5 | N1 | H2 | 118.5° | 119.7° |
| C5 | C4 | C | 120.6° | 122.9° |
| C4 | C5 | O | 123.7° | 121.4° |
| C4 | C | C1 | 117.9° | 118.5° |
| C4 | C | H9 | 121.1° | 120.7° |
| C | C1 | H1 | 117.9° | 119.3° |
| C1 | C | H9 | 121.0° | 120.7° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.4° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H17 | 109.5° | 109.4° |
| H16 | C15 | H17 | 109.5° | 109.4° |
| H18 | C12 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | N5 | C12 | C13 | 122.3° | 124.1° |
| C15 | N5 | C12 | C11 | 177.0° | 174.1° |
| C15 | N5 | C13 | C14 | 176.7° | 174.1° |
| C15 | N5 | C13 | H12 | 63.1° | 54.1° |
| C15 | N5 | C13 | H13 | 56.4° | 65.8° |
| N5 | C15 | H15 | H16 | 120.0° | 120.1° |
| N5 | C15 | H15 | H17 | 120.0° | 120.0° |
| N5 | C15 | H16 | H17 | 120.0° | 120.0° |
| C15 | N5 | C12 | H18 | 56.7° | 65.8° |
| C15 | N5 | C12 | H19 | 62.8° | 54.1° |
| N5 | C12 | C11 | H18 | 120.3° | 120.0° |
| N5 | C12 | C11 | H19 | 120.3° | 119.9° |
| C12 | N5 | C13 | C14 | 61.1° | 61.8° |
| N5 | C12 | C11 | C10 | 59.0° | 59.2° |
| N5 | C12 | C11 | H7 | 61.0° | 179.1° |
| N5 | C12 | C11 | H8 | 179.0° | 60.8° |
| C12 | N5 | C13 | H12 | 59.2° | 178.2° |
| C12 | N5 | C13 | H13 | 178.7° | 58.3° |
| C12 | N5 | C15 | H15 | 180.0° | 60.0° |
| C12 | N5 | C15 | H16 | 60.0° | 180.0° |
| C12 | N5 | C15 | H17 | 60.0° | 60.0° |
| N5 | C12 | H18 | H19 | 119.2° | 119.9° |
| C13 | N5 | C12 | C11 | 60.7° | 61.8° |
| N5 | C13 | C14 | H12 | 120.3° | 120.0° |
| N5 | C13 | C14 | H13 | 120.2° | 120.1° |
| N5 | C13 | C14 | C10 | 59.5° | 59.2° |
| N5 | C13 | C14 | H10 | 179.5° | 60.7° |
| N5 | C13 | C14 | H11 | 60.5° | 179.2° |
| N5 | C13 | H12 | H13 | 119.2° | 120.0° |
| C13 | N5 | C15 | H15 | 58.5° | 175.8° |
| C13 | N5 | C15 | H16 | 61.6° | 55.8° |
| C13 | N5 | C15 | H17 | 178.5° | 64.2° |
| C13 | N5 | C12 | H18 | 179.0° | 58.3° |
| C13 | N5 | C12 | H19 | 59.5° | 178.3° |
| C12 | C11 | C10 | H7 | 120.0° | 119.9° |
| C12 | C11 | C10 | H8 | 120.0° | 120.1° |
| C12 | C11 | C10 | C14 | 56.2° | 57.7° |
| C12 | C11 | C10 | C8 | 179.0° | 177.6° |
| C12 | C11 | C10 | H6 | 60.2° | 62.3° |
| C12 | C11 | H7 | H8 | 120.0° | 120.2° |
| C11 | C12 | H18 | H19 | 119.2° | 120.0° |
| C13 | C14 | C10 | C11 | 56.5° | 57.7° |
| C13 | C14 | C10 | H10 | 120.0° | 120.0° |
| C13 | C14 | C10 | H11 | 120.0° | 120.0° |
| C13 | C14 | C10 | C8 | 178.3° | 177.5° |
| C13 | C14 | C10 | H6 | 59.9° | 62.3° |
| C13 | C14 | H10 | H11 | 120.0° | 120.1° |
| C14 | C13 | H12 | H13 | 119.3° | 119.9° |
| C11 | C10 | C14 | C8 | 125.2° | 119.9° |
| C11 | C10 | C14 | H6 | 116.4° | 119.9° |
| C11 | C10 | C8 | H6 | 118.6° | 120.1° |
| C11 | C10 | C8 | C7 | 66.1° | 59.8° |
| C11 | C10 | C8 | C9 | 112.1° | 120.5° |
| C10 | C11 | H7 | H8 | 120.1° | 120.1° |
| C11 | C10 | C14 | H10 | 176.5° | 62.4° |
| C11 | C10 | C14 | H11 | 63.5° | 177.6° |
| C10 | C11 | C12 | H18 | 179.2° | 60.8° |
| C10 | C11 | C12 | H19 | 61.3° | 179.1° |
| C14 | C10 | C8 | H6 | 118.2° | 120.2° |
| C14 | C10 | C8 | C7 | 57.1° | 59.9° |
| C14 | C10 | C8 | C9 | 124.6° | 119.9° |
| C14 | C10 | C11 | H7 | 63.8° | 177.6° |
| C14 | C10 | C11 | H8 | 176.2° | 62.4° |
| C10 | C14 | H10 | H11 | 120.0° | 120.0° |
| C10 | C14 | C13 | H12 | 60.7° | 179.2° |
| C10 | C14 | C13 | H13 | 179.8° | 60.8° |
| C10 | C8 | C7 | C9 | 178.6° | 179.8° |
| C10 | C8 | C7 | N4 | 178.1° | 180.0° |
| C10 | C8 | C9 | N3 | 177.5° | 179.8° |
| C10 | C8 | C7 | H4 | 1.9° | 0.1° |
| C10 | C8 | C9 | H5 | 2.4° | 0.2° |
| C8 | C10 | C11 | H7 | 61.0° | 62.5° |
| C8 | C10 | C11 | H8 | 59.0° | 57.5° |
| C8 | C10 | C14 | H10 | 58.3° | 57.5° |
| C8 | C10 | C14 | H11 | 61.7° | 62.5° |
| C8 | C7 | N4 | H4 | 180.0° | 179.9° |
| C7 | C8 | C9 | N3 | 1.0° | 0.4° |
| C8 | C7 | N4 | N3 | 0.2° | 0.0° |
| C7 | C8 | C9 | H5 | 179.1° | 180.0° |
| C7 | C8 | C10 | H6 | 175.3° | 180.0° |
| C9 | C8 | C7 | N4 | 0.5° | 0.2° |
| C8 | C9 | N3 | H5 | 180.0° | 179.6° |
| C8 | C9 | N3 | N4 | 1.2° | 0.4° |
| C8 | C9 | N3 | C2 | 171.2° | 179.8° |
| C9 | C8 | C7 | H4 | 179.5° | 179.7° |
| C9 | C8 | C10 | H6 | 6.5° | 0.3° |
| C7 | N4 | N3 | C9 | 0.9° | 0.3° |
| C7 | N4 | N3 | C2 | 172.3° | 180.0° |
| C9 | N3 | N4 | C2 | 173.2° | 179.7° |
| C9 | N3 | C2 | C3 | 17.4° | 154.7° |
| C9 | N3 | C2 | N | 152.4° | 25.1° |
| N4 | N3 | C2 | C3 | 170.8° | 24.9° |
| N4 | N3 | C2 | N | 19.5° | 155.3° |
| N3 | N4 | C7 | H4 | 179.8° | 180.0° |
| N4 | N3 | C9 | H5 | 178.8° | 180.0° |
| N3 | C2 | C3 | N2 | 22.1° | 0.3° |
| N3 | C2 | C3 | N | 168.5° | 179.8° |
| N3 | C2 | C3 | C4 | 160.6° | 180.0° |
| N3 | C2 | N | C1 | 163.9° | 179.7° |
| C2 | N3 | C9 | H5 | 8.8° | 0.2° |
| N2 | C3 | C2 | C4 | 177.3° | 179.7° |
| N2 | C3 | C2 | N | 169.4° | 179.9° |
| C3 | N2 | C6 | N1 | 1.2° | 0.6° |
| N2 | C3 | C4 | C5 | 4.0° | 0.3° |
| N2 | C3 | C4 | C | 172.8° | 179.8° |
| C3 | N2 | C6 | H3 | 178.8° | 180.0° |
| C6 | N2 | C3 | C2 | 178.6° | 179.7° |
| C6 | N2 | C3 | C4 | 1.5° | 0.6° |
| N2 | C6 | N1 | H3 | 180.0° | 179.4° |
| N2 | C6 | N1 | C5 | 1.3° | 0.3° |
| N2 | C6 | N1 | H2 | 178.7° | 179.8° |
| C3 | C2 | N | C1 | 5.2° | 0.1° |
| C2 | C3 | C4 | C5 | 178.7° | 180.0° |
| C2 | C3 | C4 | C | 4.6° | 0.5° |
| N | C2 | C3 | C4 | 7.9° | 0.2° |
| C2 | N | C1 | C | 1.2° | 0.1° |
| C2 | N | C1 | H1 | 178.9° | 179.7° |
| C3 | C4 | C5 | N1 | 3.7° | 0.0° |
| C3 | C4 | C5 | C | 176.8° | 179.5° |
| C3 | C4 | C | C1 | 0.8° | 0.5° |
| C3 | C4 | C5 | O | 170.5° | 180.0° |
| C3 | C4 | C | H9 | 179.2° | 179.5° |
| C6 | N1 | C5 | H2 | 180.0° | 179.9° |
| C6 | N1 | C5 | C4 | 1.3° | 0.0° |
| C6 | N1 | C5 | O | 173.0° | 180.0° |
| N | C1 | C | C4 | 4.1° | 0.2° |
| N | C1 | C | H1 | 180.0° | 179.8° |
| N | C1 | C | H9 | 176.0° | 179.8° |
| N1 | C5 | C4 | O | 174.2° | 180.0° |
| N1 | C5 | C4 | C | 173.1° | 179.5° |
| C5 | N1 | C6 | H3 | 178.7° | 179.7° |
| C5 | C4 | C | C1 | 175.9° | 180.0° |
| C4 | C5 | N1 | H2 | 178.7° | 180.0° |
| C5 | C4 | C | H9 | 4.1° | 0.0° |
| C4 | C | C1 | H9 | 180.0° | 180.0° |
| C | C4 | C5 | O | 12.8° | 0.5° |
| C4 | C | C1 | H1 | 176.0° | 180.0° |
| O | C5 | N1 | H2 | 7.0° | 0.0° |
| H1 | C1 | C | H9 | 4.0° | 0.0° |
| H2 | N1 | C6 | H3 | 1.3° | 0.3° |
| H6 | C10 | C11 | H7 | 179.8° | 57.7° |
| H6 | C10 | C11 | H8 | 59.8° | 177.7° |
| H6 | C10 | C14 | H10 | 60.1° | 177.7° |
| H6 | C10 | C14 | H11 | 179.9° | 57.7° |
| H7 | C11 | C12 | H18 | 59.2° | 59.0° |
| H7 | C11 | C12 | H19 | 178.7° | 61.0° |
| H8 | C11 | C12 | H18 | 60.8° | 179.1° |
| H8 | C11 | C12 | H19 | 58.7° | 59.1° |
| H10 | C14 | C13 | H12 | 59.3° | 59.3° |
| H10 | C14 | C13 | H13 | 60.2° | 179.2° |
| H11 | C14 | C13 | H12 | 179.3° | 60.8° |
| H11 | C14 | C13 | H13 | 59.8° | 59.1° |
| H15 | C15 | H16 | H17 | 120.0° | 119.9° |
