OYF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C14 | doub | 1.31Å | 1.32Å | Aromatic |
| N2 | C15 | sing | 1.33Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
| C13 | C9 | sing | 1.42Å | 1.42Å | Aromatic |
| C12 | N1 | sing | 1.31Å | 1.33Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.43Å | Aromatic |
| C8 | N | sing | 1.40Å | 1.41Å | |
| C9 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| CL | C | sing | 1.74Å | 1.73Å | |
| N1 | C11 | doub | 1.33Å | 1.34Å | Aromatic |
| O1 | C7 | doub | 1.21Å | 1.23Å | |
| N | C7 | sing | 1.35Å | 1.35Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.36Å | 1.36Å | Aromatic |
| C | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C2 | sing | 1.51Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | O | sing | 1.36Å | 1.37Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | O | sing | 1.43Å | 1.44Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | N2 | C15 | 117.6° | 123.0° |
| N2 | C14 | C13 | 124.1° | 120.1° |
| N2 | C14 | H12 | 117.9° | 120.0° |
| N2 | C15 | C8 | 125.4° | 121.6° |
| N2 | C15 | H7 | 117.3° | 119.2° |
| C14 | C13 | C12 | 125.1° | 122.8° |
| C14 | C13 | C9 | 117.6° | 118.7° |
| C13 | C14 | H12 | 118.0° | 120.0° |
| C15 | C8 | C9 | 116.9° | 118.3° |
| C15 | C8 | N | 125.3° | 120.9° |
| C8 | C15 | H7 | 117.3° | 119.2° |
| C12 | C13 | C9 | 117.2° | 118.5° |
| C13 | C12 | N1 | 124.1° | 119.8° |
| C13 | C12 | H13 | 118.0° | 120.1° |
| C13 | C9 | C8 | 118.4° | 118.3° |
| C13 | C9 | C10 | 117.6° | 118.5° |
| C12 | N1 | C11 | 117.6° | 122.9° |
| N1 | C12 | H13 | 118.0° | 120.1° |
| C9 | C8 | N | 116.4° | 120.8° |
| C8 | C9 | C10 | 123.8° | 123.2° |
| C8 | N | C7 | 129.8° | 120.0° |
| C8 | N | H11 | 115.1° | 120.0° |
| C9 | C10 | C11 | 119.3° | 118.5° |
| C9 | C10 | H6 | 120.3° | 120.7° |
| CL | C | C1 | 118.9° | 120.0° |
| CL | C | C17 | 119.2° | 120.1° |
| N1 | C11 | C10 | 124.2° | 121.8° |
| N1 | C11 | H14 | 117.9° | 119.1° |
| O1 | C7 | N | 122.9° | 120.0° |
| O1 | C7 | C6 | 122.1° | 120.0° |
| N | C7 | C6 | 114.8° | 120.0° |
| C7 | N | H11 | 115.1° | 120.0° |
| C7 | C6 | C2 | 105.9° | 109.4° |
| C7 | C6 | C5 | 113.0° | 109.5° |
| C7 | C6 | H5 | 109.4° | 109.4° |
| C11 | C10 | H6 | 120.3° | 120.7° |
| C10 | C11 | H14 | 117.9° | 119.1° |
| C1 | C | C17 | 121.9° | 119.9° |
| C | C1 | C2 | 119.7° | 120.3° |
| C | C1 | H10 | 120.2° | 119.9° |
| C | C17 | C16 | 119.2° | 120.0° |
| C | C17 | H8 | 120.4° | 120.0° |
| C1 | C2 | C6 | 121.4° | 118.8° |
| C1 | C2 | C3 | 118.2° | 119.8° |
| C2 | C1 | H10 | 120.1° | 119.8° |
| C17 | C16 | C3 | 119.5° | 120.2° |
| C16 | C17 | H8 | 120.4° | 120.0° |
| C17 | C16 | H9 | 120.2° | 119.9° |
| C2 | C6 | C5 | 109.8° | 109.7° |
| C6 | C2 | C3 | 120.0° | 121.4° |
| C2 | C6 | H5 | 109.5° | 109.4° |
| C6 | C5 | C4 | 110.2° | 108.3° |
| C6 | C5 | H3 | 109.3° | 109.7° |
| C6 | C5 | H4 | 109.3° | 109.7° |
| C5 | C6 | H5 | 109.2° | 109.4° |
| C2 | C3 | C16 | 121.4° | 119.7° |
| C2 | C3 | O | 122.9° | 121.8° |
| C16 | C3 | O | 115.5° | 118.5° |
| C3 | C16 | H9 | 120.3° | 119.9° |
| C3 | O | C4 | 115.6° | 117.9° |
| C5 | C4 | O | 112.4° | 108.4° |
| C5 | C4 | H1 | 108.7° | 109.7° |
| C5 | C4 | H2 | 108.7° | 109.7° |
| C4 | C5 | H3 | 109.3° | 109.7° |
| C4 | C5 | H4 | 109.3° | 109.7° |
| O | C4 | H1 | 108.7° | 109.7° |
| O | C4 | H2 | 108.7° | 109.7° |
| H1 | C4 | H2 | 109.4° | 109.7° |
| H3 | C5 | H4 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C14 | C13 | H12 | 180.0° | 179.9° |
| C14 | N2 | C15 | C8 | 1.7° | 0.0° |
| N2 | C14 | C13 | C12 | 175.5° | 180.0° |
| N2 | C14 | C13 | C9 | 1.4° | 0.0° |
| C14 | N2 | C15 | H7 | 178.3° | 180.0° |
| C15 | N2 | C14 | C13 | 0.7° | 0.0° |
| N2 | C15 | C8 | H7 | 180.0° | 180.0° |
| N2 | C15 | C8 | C9 | 0.5° | 0.0° |
| N2 | C15 | C8 | N | 166.6° | 180.0° |
| C15 | N2 | C14 | H12 | 179.3° | 179.9° |
| C14 | C13 | C12 | C9 | 176.9° | 180.0° |
| C14 | C13 | C12 | N1 | 177.8° | 179.9° |
| C14 | C13 | C9 | C8 | 2.5° | 0.0° |
| C14 | C13 | C9 | C10 | 178.2° | 179.9° |
| C14 | C13 | C12 | H13 | 2.2° | 0.0° |
| C15 | C8 | C9 | C13 | 1.7° | 0.0° |
| C15 | C8 | C9 | N | 167.4° | 180.0° |
| C15 | C8 | C9 | C10 | 177.0° | 179.9° |
| C15 | C8 | N | C7 | 28.8° | 19.3° |
| C15 | C8 | N | H11 | 151.2° | 160.7° |
| C13 | C12 | N1 | H13 | 180.0° | 179.9° |
| C12 | C13 | C9 | C8 | 174.6° | 180.0° |
| C12 | C13 | C9 | C10 | 1.0° | 0.1° |
| C13 | C12 | N1 | C11 | 0.2° | 0.1° |
| C12 | C13 | C14 | H12 | 4.5° | 0.1° |
| C9 | C13 | C12 | N1 | 0.9° | 0.1° |
| C13 | C9 | C8 | C10 | 175.4° | 179.9° |
| C13 | C9 | C8 | N | 165.7° | 180.0° |
| C13 | C9 | C10 | C11 | 0.6° | 0.1° |
| C13 | C9 | C10 | H6 | 179.4° | 180.0° |
| C9 | C13 | C14 | H12 | 178.6° | 179.9° |
| C9 | C13 | C12 | H13 | 179.1° | 180.0° |
| C12 | N1 | C11 | C10 | 0.3° | 0.1° |
| C12 | N1 | C11 | H14 | 179.7° | 180.0° |
| C9 | C8 | N | C7 | 137.4° | 160.6° |
| C8 | C9 | C10 | C11 | 174.8° | 180.0° |
| C8 | C9 | C10 | H6 | 5.2° | 0.1° |
| C9 | C8 | C15 | H7 | 179.5° | 180.0° |
| C9 | C8 | N | H11 | 42.6° | 19.4° |
| N | C8 | C9 | C10 | 9.7° | 0.1° |
| C8 | N | C7 | O1 | 28.3° | 5.6° |
| C8 | N | C7 | H11 | 180.0° | 180.0° |
| C8 | N | C7 | C6 | 156.1° | 174.4° |
| N | C8 | C15 | H7 | 13.4° | 0.0° |
| C9 | C10 | C11 | N1 | 0.1° | 0.1° |
| C9 | C10 | C11 | H6 | 180.0° | 179.9° |
| C9 | C10 | C11 | H14 | 179.9° | 180.0° |
| CL | C | C1 | C17 | 178.1° | 180.0° |
| CL | C | C1 | C2 | 178.0° | 180.0° |
| CL | C | C17 | C16 | 175.6° | 179.9° |
| CL | C | C17 | H8 | 4.4° | 0.1° |
| CL | C | C1 | H10 | 1.9° | 0.0° |
| N1 | C11 | C10 | H14 | 180.0° | 179.9° |
| N1 | C11 | C10 | H6 | 179.9° | 180.0° |
| C11 | N1 | C12 | H13 | 179.8° | 180.0° |
| O1 | C7 | N | C6 | 175.7° | 180.0° |
| O1 | C7 | C6 | C2 | 4.2° | 84.1° |
| O1 | C7 | C6 | C5 | 116.1° | 36.1° |
| O1 | C7 | C6 | H5 | 122.1° | 156.0° |
| O1 | C7 | N | H11 | 151.8° | 174.4° |
| N | C7 | C6 | C2 | 179.9° | 95.9° |
| N | C7 | C6 | C5 | 59.6° | 143.9° |
| N | C7 | C6 | H5 | 62.2° | 24.0° |
| C7 | C6 | C2 | C1 | 78.3° | 42.1° |
| C7 | C6 | C2 | C5 | 122.3° | 120.1° |
| C7 | C6 | C2 | H5 | 117.8° | 119.9° |
| C7 | C6 | C5 | H5 | 121.9° | 119.9° |
| C7 | C6 | C2 | C3 | 95.2° | 137.9° |
| C7 | C6 | C5 | C4 | 71.3° | 168.3° |
| C7 | C6 | C5 | H3 | 48.8° | 72.0° |
| C7 | C6 | C5 | H4 | 168.6° | 48.6° |
| C6 | C7 | N | H11 | 23.9° | 5.6° |
| C | C1 | C2 | H10 | 180.0° | 180.0° |
| C1 | C | C17 | C16 | 2.5° | 0.1° |
| C | C1 | C2 | C6 | 170.2° | 179.8° |
| C | C1 | C2 | C3 | 3.4° | 0.1° |
| C1 | C | C17 | H8 | 177.5° | 179.9° |
| C17 | C | C1 | C2 | 0.1° | 0.0° |
| C | C17 | C16 | H8 | 180.0° | 180.0° |
| C | C17 | C16 | C3 | 1.3° | 0.1° |
| C | C17 | C16 | H9 | 178.6° | 180.0° |
| C17 | C | C1 | H10 | 179.9° | 180.0° |
| C1 | C2 | C6 | C3 | 173.5° | 180.0° |
| C1 | C2 | C6 | C5 | 159.4° | 162.2° |
| C1 | C2 | C3 | C16 | 4.6° | 0.2° |
| C1 | C2 | C3 | O | 169.5° | 179.6° |
| C1 | C2 | C6 | H5 | 39.6° | 77.8° |
| C17 | C16 | C3 | C2 | 2.2° | 0.1° |
| C17 | C16 | C3 | H9 | 180.0° | 179.9° |
| C17 | C16 | C3 | O | 172.3° | 179.7° |
| C2 | C6 | C5 | H5 | 120.1° | 120.0° |
| C6 | C2 | C3 | C16 | 169.1° | 179.8° |
| C6 | C2 | C3 | O | 16.8° | 0.5° |
| C2 | C6 | C5 | C4 | 46.7° | 48.2° |
| C2 | C6 | C5 | H3 | 166.8° | 167.9° |
| C2 | C6 | C5 | H4 | 73.4° | 71.5° |
| C6 | C2 | C1 | H10 | 9.8° | 0.2° |
| C5 | C6 | C2 | C3 | 27.1° | 17.8° |
| C6 | C5 | C4 | H3 | 120.1° | 119.7° |
| C6 | C5 | C4 | H4 | 120.1° | 119.7° |
| C6 | C5 | C4 | O | 58.7° | 64.7° |
| C6 | C5 | C4 | H1 | 61.8° | 175.6° |
| C6 | C5 | C4 | H2 | 179.1° | 55.0° |
| C6 | C5 | H3 | H4 | 119.7° | 120.6° |
| C2 | C3 | C16 | O | 174.6° | 179.8° |
| C2 | C3 | O | C4 | 26.2° | 17.2° |
| C3 | C2 | C6 | H5 | 147.0° | 102.2° |
| C2 | C3 | C16 | H9 | 177.8° | 179.9° |
| C3 | C2 | C1 | H10 | 176.6° | 179.9° |
| C16 | C3 | O | C4 | 159.3° | 163.1° |
| C3 | C16 | C17 | H8 | 178.7° | 180.0° |
| C3 | O | C4 | C5 | 47.4° | 49.1° |
| C3 | O | C4 | H1 | 73.1° | 168.8° |
| C3 | O | C4 | H2 | 167.9° | 70.7° |
| O | C3 | C16 | H9 | 7.7° | 0.4° |
| C5 | C4 | O | H1 | 120.5° | 119.7° |
| C5 | C4 | O | H2 | 120.4° | 119.8° |
| C5 | C4 | H1 | H2 | 118.6° | 120.6° |
| C4 | C5 | H3 | H4 | 119.7° | 120.6° |
| C4 | C5 | C6 | H5 | 166.8° | 71.8° |
| O | C4 | H1 | H2 | 118.6° | 120.5° |
| O | C4 | C5 | H3 | 178.8° | 175.6° |
| O | C4 | C5 | H4 | 61.4° | 55.0° |
| H1 | C4 | C5 | H3 | 58.3° | 55.9° |
| H1 | C4 | C5 | H4 | 178.1° | 64.7° |
| H2 | C4 | C5 | H3 | 60.7° | 64.6° |
| H2 | C4 | C5 | H4 | 59.0° | 174.8° |
| H3 | C5 | C6 | H5 | 73.1° | 47.9° |
| H4 | C5 | C6 | H5 | 46.7° | 168.5° |
| H6 | C10 | C11 | H14 | 0.1° | 0.1° |
| H8 | C17 | C16 | H9 | 1.3° | 0.0° |
