OK1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C | doub | 1.21Å | 1.23Å | |
| C | O | sing | 1.34Å | 1.31Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| CL | C5 | sing | 1.74Å | 1.74Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | N | sing | 1.47Å | 1.47Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| N | C3 | sing | 1.40Å | 1.40Å | |
| N | C14 | sing | 1.35Å | 1.36Å | |
| C3 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | O2 | sing | 1.36Å | 1.37Å | |
| C6 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| O2 | C7 | sing | 1.43Å | 1.43Å | |
| C14 | O4 | doub | 1.22Å | 1.21Å | |
| C14 | O3 | sing | 1.34Å | 1.38Å | |
| C13 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| C13 | O3 | sing | 1.36Å | 1.38Å | |
| C11 | C8 | sing | 1.54Å | 1.54Å | |
| C11 | C10 | sing | 1.54Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C8 | C9 | sing | 1.54Å | 1.54Å | |
| C10 | C9 | sing | 1.54Å | 1.53Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C | O | 123.5° | 120.0° |
| O1 | C | C1 | 124.9° | 120.0° |
| O | C | C1 | 111.6° | 120.0° |
| C | O | H11 | 109.5° | 117.0° |
| C | C1 | C2 | 114.5° | 109.5° |
| C | C1 | H9 | 108.2° | 109.5° |
| C | C1 | H10 | 108.2° | 109.4° |
| CL | C5 | C4 | 119.0° | 120.0° |
| CL | C5 | C6 | 119.4° | 119.9° |
| C1 | C2 | N | 111.9° | 109.5° |
| C1 | C2 | H7 | 108.9° | 109.5° |
| C1 | C2 | H8 | 108.9° | 109.5° |
| C2 | C1 | H9 | 108.2° | 109.5° |
| C2 | C1 | H10 | 108.2° | 109.5° |
| C2 | N | C3 | 125.6° | 126.2° |
| C2 | N | C14 | 122.3° | 126.3° |
| N | C2 | H7 | 108.8° | 109.4° |
| N | C2 | H8 | 108.9° | 109.5° |
| C5 | C4 | C3 | 117.1° | 119.9° |
| C4 | C5 | C6 | 121.6° | 120.1° |
| C5 | C4 | H1 | 121.4° | 120.0° |
| C4 | C3 | N | 133.4° | 133.3° |
| C4 | C3 | C13 | 120.9° | 120.1° |
| C3 | C4 | H1 | 121.4° | 120.1° |
| C5 | C6 | O2 | 116.3° | 119.9° |
| C5 | C6 | C12 | 120.3° | 120.2° |
| C3 | N | C14 | 109.3° | 107.5° |
| N | C3 | C13 | 105.8° | 106.5° |
| N | C14 | O4 | 129.1° | 125.3° |
| N | C14 | O3 | 108.1° | 109.4° |
| C3 | C13 | C12 | 122.2° | 119.8° |
| C3 | C13 | O3 | 109.5° | 107.3° |
| O2 | C6 | C12 | 123.3° | 119.9° |
| C6 | O2 | C7 | 117.5° | 117.0° |
| C6 | C12 | C13 | 117.9° | 119.9° |
| C6 | C12 | H12 | 121.1° | 120.0° |
| O2 | C7 | C8 | 107.8° | 109.4° |
| O2 | C7 | H2 | 109.9° | 109.5° |
| O2 | C7 | H3 | 109.9° | 109.5° |
| O4 | C14 | O3 | 122.8° | 125.3° |
| C14 | O3 | C13 | 107.4° | 109.2° |
| C12 | C13 | O3 | 128.3° | 132.9° |
| C13 | C12 | H12 | 121.1° | 120.1° |
| C8 | C11 | C10 | 87.3° | 87.1° |
| C11 | C8 | C7 | 118.3° | 113.6° |
| C11 | C8 | C9 | 86.9° | 87.1° |
| C11 | C8 | H4 | 110.6° | 113.7° |
| C8 | C11 | H13 | 114.7° | 113.6° |
| C8 | C11 | H14 | 114.7° | 113.6° |
| C11 | C10 | C9 | 86.9° | 87.1° |
| C11 | C10 | H5 | 114.8° | 113.6° |
| C11 | C10 | H6 | 114.8° | 113.7° |
| C10 | C11 | H13 | 114.7° | 113.6° |
| C10 | C11 | H14 | 114.7° | 113.6° |
| C7 | C8 | C9 | 117.2° | 113.6° |
| C8 | C7 | H2 | 109.9° | 109.5° |
| C8 | C7 | H3 | 109.9° | 109.4° |
| C7 | C8 | H4 | 111.1° | 112.8° |
| C8 | C9 | C10 | 87.5° | 87.1° |
| C9 | C8 | H4 | 110.6° | 113.6° |
| C8 | C9 | H15 | 114.7° | 113.6° |
| C8 | C9 | H16 | 114.7° | 113.7° |
| C9 | C10 | H5 | 114.8° | 113.6° |
| C9 | C10 | H6 | 114.8° | 113.6° |
| C10 | C9 | H15 | 114.6° | 113.6° |
| C10 | C9 | H16 | 114.7° | 113.6° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.4° | 112.9° |
| H7 | C2 | H8 | 109.4° | 109.4° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 112.9° |
| H15 | C9 | H16 | 109.5° | 113.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C | O | C1 | 180.0° | 180.0° |
| O1 | C | C1 | C2 | 3.0° | 0.0° |
| O1 | C | C1 | H9 | 123.8° | 120.0° |
| O1 | C | C1 | H10 | 117.7° | 120.0° |
| O1 | C | O | H11 | 0.0° | 0.0° |
| O | C | C1 | C2 | 176.9° | 180.0° |
| O | C | C1 | H9 | 56.2° | 60.0° |
| O | C | C1 | H10 | 62.4° | 60.0° |
| C | C1 | C2 | H9 | 120.7° | 120.0° |
| C | C1 | C2 | H10 | 120.8° | 119.9° |
| C | C1 | C2 | N | 178.7° | 180.0° |
| C | C1 | C2 | H7 | 58.3° | 60.0° |
| C | C1 | C2 | H8 | 61.0° | 60.0° |
| C | C1 | H9 | H10 | 117.7° | 120.0° |
| C1 | C | O | H11 | 179.9° | 180.0° |
| CL | C5 | C4 | C6 | 177.4° | 180.0° |
| CL | C5 | C4 | C3 | 175.4° | 180.0° |
| CL | C5 | C6 | O2 | 2.3° | 0.0° |
| CL | C5 | C6 | C12 | 175.3° | 180.0° |
| CL | C5 | C4 | H1 | 4.6° | 0.3° |
| C1 | C2 | N | H7 | 120.4° | 120.0° |
| C1 | C2 | N | H8 | 120.4° | 120.0° |
| C1 | C2 | N | C3 | 90.4° | 90.0° |
| C1 | C2 | N | C14 | 68.2° | 90.0° |
| C1 | C2 | H7 | H8 | 118.9° | 120.0° |
| C2 | C1 | H9 | H10 | 117.7° | 120.0° |
| C2 | N | C3 | C4 | 18.8° | 0.1° |
| C2 | N | C3 | C14 | 160.9° | 180.0° |
| C2 | N | C3 | C13 | 161.1° | 180.0° |
| C2 | N | C14 | O4 | 14.7° | 0.0° |
| C2 | N | C14 | O3 | 162.0° | 179.9° |
| N | C2 | H7 | H8 | 118.8° | 120.0° |
| N | C2 | C1 | H9 | 60.6° | 60.0° |
| N | C2 | C1 | H10 | 57.9° | 60.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | N | 179.3° | 180.0° |
| C5 | C4 | C3 | C13 | 0.8° | 0.1° |
| C4 | C5 | C6 | O2 | 179.6° | 180.0° |
| C4 | C5 | C6 | C12 | 2.1° | 0.0° |
| C3 | C4 | C5 | C6 | 2.0° | 0.1° |
| C4 | C3 | N | C13 | 180.0° | 179.9° |
| C4 | C3 | N | C14 | 179.7° | 179.9° |
| C4 | C3 | C13 | C12 | 0.3° | 0.0° |
| C4 | C3 | C13 | O3 | 180.0° | 180.0° |
| C5 | C6 | O2 | C12 | 177.4° | 179.9° |
| C5 | C6 | O2 | C7 | 139.7° | 180.0° |
| C5 | C6 | C12 | C13 | 1.0° | 0.1° |
| C6 | C5 | C4 | H1 | 178.1° | 179.8° |
| C5 | C6 | C12 | H12 | 179.0° | 180.0° |
| C3 | N | C14 | O4 | 176.4° | 179.9° |
| C3 | N | C14 | O3 | 0.4° | 0.0° |
| N | C3 | C13 | C12 | 179.7° | 179.9° |
| N | C3 | C13 | O3 | 0.0° | 0.1° |
| N | C3 | C4 | H1 | 0.7° | 0.3° |
| C3 | N | C2 | H7 | 149.2° | 150.0° |
| C3 | N | C2 | H8 | 30.0° | 30.0° |
| C14 | N | C3 | C13 | 0.2° | 0.0° |
| N | C14 | O4 | O3 | 176.3° | 179.9° |
| N | C14 | O3 | C13 | 0.4° | 0.1° |
| C14 | N | C2 | H7 | 52.2° | 30.0° |
| C14 | N | C2 | H8 | 171.4° | 150.0° |
| C3 | C13 | C12 | C6 | 0.2° | 0.0° |
| C3 | C13 | O3 | C14 | 0.3° | 0.1° |
| C3 | C13 | C12 | O3 | 179.7° | 180.0° |
| C13 | C3 | C4 | H1 | 179.2° | 179.8° |
| C3 | C13 | C12 | H12 | 179.8° | 180.0° |
| O2 | C6 | C12 | C13 | 178.3° | 180.0° |
| C6 | O2 | C7 | C8 | 171.3° | 180.0° |
| C6 | O2 | C7 | H2 | 69.0° | 60.1° |
| C6 | O2 | C7 | H3 | 51.5° | 60.0° |
| O2 | C6 | C12 | H12 | 1.7° | 0.1° |
| C12 | C6 | O2 | C7 | 42.8° | 0.1° |
| C6 | C12 | C13 | H12 | 180.0° | 179.9° |
| C6 | C12 | C13 | O3 | 179.8° | 179.9° |
| O2 | C7 | C8 | C11 | 63.9° | 87.5° |
| O2 | C7 | C8 | H2 | 119.7° | 120.0° |
| O2 | C7 | C8 | H3 | 119.8° | 120.0° |
| O2 | C7 | C8 | C9 | 165.9° | 174.9° |
| O2 | C7 | H2 | H3 | 120.8° | 120.0° |
| O2 | C7 | C8 | H4 | 65.7° | 43.8° |
| O4 | C14 | O3 | C13 | 176.6° | 180.0° |
| C14 | O3 | C13 | C12 | 179.4° | 179.9° |
| O3 | C13 | C12 | H12 | 0.1° | 0.0° |
| C8 | C11 | C10 | H13 | 116.0° | 114.6° |
| C8 | C11 | C10 | H14 | 116.0° | 114.5° |
| C11 | C8 | C7 | C9 | 102.0° | 97.6° |
| C11 | C8 | C7 | H4 | 129.5° | 131.3° |
| C11 | C8 | C9 | H4 | 110.9° | 114.6° |
| C8 | C11 | C10 | C9 | 25.1° | 25.4° |
| C11 | C8 | C7 | H2 | 55.9° | 152.5° |
| C11 | C8 | C7 | H3 | 176.4° | 32.5° |
| C8 | C11 | C10 | H5 | 90.8° | 89.1° |
| C8 | C11 | C10 | H6 | 141.1° | 139.9° |
| C8 | C11 | H13 | H14 | 130.5° | 131.3° |
| C11 | C8 | C9 | H15 | 90.9° | 89.1° |
| C11 | C8 | C9 | H16 | 141.2° | 140.0° |
| C10 | C11 | C8 | C7 | 144.4° | 140.0° |
| C11 | C10 | C9 | H5 | 116.0° | 114.6° |
| C11 | C10 | C9 | H6 | 115.9° | 114.7° |
| C10 | C11 | C8 | H4 | 85.8° | 89.1° |
| C11 | C10 | H5 | H6 | 130.7° | 131.4° |
| C10 | C11 | H13 | H14 | 130.6° | 131.2° |
| C11 | C10 | C9 | H15 | 90.9° | 89.1° |
| C11 | C10 | C9 | H16 | 141.2° | 140.0° |
| C7 | C8 | C9 | H4 | 128.7° | 130.8° |
| C7 | C8 | C9 | C10 | 145.6° | 140.0° |
| C8 | C7 | H2 | H3 | 120.7° | 120.0° |
| C7 | C8 | C11 | H13 | 99.6° | 105.5° |
| C7 | C8 | C11 | H14 | 28.4° | 25.5° |
| C7 | C8 | C9 | H15 | 29.5° | 25.5° |
| C7 | C8 | C9 | H16 | 98.4° | 105.4° |
| C8 | C9 | C10 | H15 | 116.1° | 114.5° |
| C8 | C9 | C10 | H16 | 116.1° | 114.6° |
| C9 | C8 | C7 | H2 | 46.1° | 55.0° |
| C9 | C8 | C7 | H3 | 74.4° | 65.1° |
| C8 | C9 | C10 | H5 | 90.9° | 89.2° |
| C8 | C9 | C10 | H6 | 141.1° | 140.1° |
| C9 | C8 | C11 | H13 | 141.1° | 139.9° |
| C9 | C8 | C11 | H14 | 91.0° | 89.1° |
| C8 | C9 | H15 | H16 | 130.5° | 131.3° |
| C10 | C9 | C8 | H4 | 85.7° | 89.2° |
| C9 | C10 | H5 | H6 | 130.7° | 131.1° |
| C9 | C10 | C11 | H13 | 141.1° | 140.0° |
| C9 | C10 | C11 | H14 | 90.9° | 89.1° |
| C10 | C9 | H15 | H16 | 130.5° | 131.3° |
| H2 | C7 | C8 | H4 | 174.6° | 76.2° |
| H3 | C7 | C8 | H4 | 54.1° | 163.7° |
| H4 | C8 | C11 | H13 | 30.2° | 25.4° |
| H4 | C8 | C11 | H14 | 158.2° | 156.3° |
| H4 | C8 | C9 | H15 | 158.2° | 156.3° |
| H4 | C8 | C9 | H16 | 30.3° | 25.3° |
| H5 | C10 | C11 | H13 | 25.2° | 25.5° |
| H5 | C10 | C11 | H14 | 153.2° | 156.4° |
| H5 | C10 | C9 | H15 | 153.1° | 156.4° |
| H5 | C10 | C9 | H16 | 25.2° | 25.4° |
| H6 | C10 | C11 | H13 | 102.9° | 105.5° |
| H6 | C10 | C11 | H14 | 25.1° | 25.4° |
| H6 | C10 | C9 | H15 | 25.0° | 25.6° |
| H6 | C10 | C9 | H16 | 102.9° | 105.4° |
| H7 | C2 | C1 | H9 | 179.0° | 180.0° |
| H7 | C2 | C1 | H10 | 62.4° | 59.9° |
| H8 | C2 | C1 | H9 | 59.8° | 60.0° |
| H8 | C2 | C1 | H10 | 178.3° | 179.9° |
