OL9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O07 | C25 | doub | 1.21Å | 1.25Å | |
| C25 | O08 | sing | 1.34Å | 1.24Å | |
| C25 | C18 | sing | 1.51Å | 1.47Å | |
| C18 | C16 | sing | 1.53Å | 1.50Å | |
| O06 | S02 | doub | 1.42Å | 1.44Å | |
| O05 | S02 | doub | 1.42Å | 1.42Å | |
| C16 | C10 | sing | 1.53Å | 1.48Å | |
| C12 | C14 | sing | 1.53Å | 1.50Å | |
| C12 | C09 | sing | 1.53Å | 1.51Å | |
| S02 | C09 | sing | 1.81Å | 1.86Å | |
| S02 | C17 | sing | 1.76Å | 1.82Å | |
| C14 | C10 | sing | 1.53Å | 1.50Å | |
| F03 | C19 | sing | 1.35Å | 1.35Å | |
| C09 | C11 | sing | 1.53Å | 1.54Å | |
| C09 | C15 | sing | 1.51Å | 1.56Å | |
| C10 | C13 | sing | 1.53Å | 1.49Å | |
| C17 | C22 | doub | 1.38Å | 1.34Å | Aromatic |
| C17 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | C28 | sing | 1.38Å | 1.34Å | Aromatic |
| C11 | C13 | sing | 1.53Å | 1.48Å | |
| C21 | C27 | doub | 1.38Å | 1.36Å | Aromatic |
| C19 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.35Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.36Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.35Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.37Å | Aromatic |
| C29 | CL01 | sing | 1.74Å | 1.79Å | |
| C24 | C26 | doub | 1.38Å | 1.35Å | Aromatic |
| C20 | C23 | doub | 1.39Å | 1.35Å | Aromatic |
| C26 | C23 | sing | 1.38Å | 1.35Å | Aromatic |
| C23 | F04 | sing | 1.35Å | 1.34Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| O08 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O07 | C25 | O08 | 121.9° | 120.0° |
| O07 | C25 | C18 | 120.9° | 120.0° |
| O08 | C25 | C18 | 117.1° | 120.0° |
| C25 | O08 | H1 | 109.5° | 117.0° |
| C25 | C18 | C16 | 94.9° | 109.5° |
| C25 | C18 | H181 | 113.0° | 109.4° |
| C25 | C18 | H182 | 113.0° | 109.5° |
| C18 | C16 | C10 | 111.8° | 109.5° |
| C18 | C16 | H161 | 108.9° | 109.5° |
| C18 | C16 | H162 | 108.9° | 109.5° |
| C16 | C18 | H181 | 113.0° | 109.5° |
| C16 | C18 | H182 | 113.0° | 109.4° |
| O06 | S02 | O05 | 106.2° | 121.1° |
| O06 | S02 | C09 | 110.5° | 110.5° |
| O06 | S02 | C17 | 115.1° | 104.2° |
| O05 | S02 | C09 | 106.3° | 110.6° |
| O05 | S02 | C17 | 106.1° | 104.3° |
| C16 | C10 | C14 | 103.0° | 109.5° |
| C16 | C10 | C13 | 108.5° | 109.5° |
| C16 | C10 | H101 | 109.4° | 109.5° |
| C10 | C16 | H161 | 108.9° | 109.5° |
| C10 | C16 | H162 | 108.9° | 109.5° |
| C14 | C12 | C09 | 107.1° | 109.5° |
| C12 | C14 | C10 | 109.4° | 109.5° |
| C14 | C12 | H122 | 110.1° | 109.5° |
| C14 | C12 | H121 | 110.1° | 109.5° |
| C12 | C14 | H141 | 109.5° | 109.5° |
| C12 | C14 | H142 | 109.5° | 109.5° |
| C12 | C09 | S02 | 105.6° | 109.5° |
| C12 | C09 | C11 | 109.0° | 109.4° |
| C12 | C09 | C15 | 111.2° | 109.5° |
| C09 | C12 | H122 | 110.1° | 109.4° |
| C09 | C12 | H121 | 110.0° | 109.5° |
| C09 | S02 | C17 | 112.1° | 104.5° |
| S02 | C09 | C11 | 100.5° | 109.5° |
| S02 | C09 | C15 | 117.5° | 109.5° |
| S02 | C17 | C22 | 113.8° | 120.0° |
| S02 | C17 | C21 | 128.2° | 120.0° |
| C14 | C10 | C13 | 117.2° | 109.5° |
| C14 | C10 | H101 | 109.1° | 109.5° |
| C10 | C14 | H141 | 109.5° | 109.5° |
| C10 | C14 | H142 | 109.5° | 109.5° |
| F03 | C19 | C15 | 128.7° | 120.0° |
| F03 | C19 | C24 | 109.6° | 120.0° |
| C11 | C09 | C15 | 112.4° | 109.5° |
| C09 | C11 | C13 | 117.3° | 109.5° |
| C09 | C11 | H112 | 107.5° | 109.4° |
| C09 | C11 | H111 | 107.5° | 109.5° |
| C09 | C15 | C19 | 129.1° | 120.0° |
| C09 | C15 | C20 | 114.8° | 120.0° |
| C10 | C13 | C11 | 113.2° | 109.4° |
| C13 | C10 | H101 | 109.2° | 109.5° |
| C10 | C13 | H132 | 108.5° | 109.5° |
| C10 | C13 | H131 | 108.5° | 109.5° |
| C22 | C17 | C21 | 118.0° | 120.0° |
| C17 | C22 | C28 | 121.6° | 120.0° |
| C17 | C22 | H221 | 119.2° | 120.0° |
| C17 | C21 | C27 | 121.6° | 120.0° |
| C17 | C21 | H211 | 119.2° | 120.0° |
| C22 | C28 | C29 | 121.0° | 120.0° |
| C28 | C22 | H221 | 119.2° | 120.0° |
| C22 | C28 | H281 | 119.5° | 120.0° |
| C11 | C13 | H132 | 108.5° | 109.5° |
| C11 | C13 | H131 | 108.5° | 109.5° |
| C13 | C11 | H112 | 107.5° | 109.4° |
| C13 | C11 | H111 | 107.5° | 109.5° |
| C21 | C27 | C29 | 119.1° | 120.0° |
| C27 | C21 | H211 | 119.2° | 120.0° |
| C21 | C27 | H271 | 120.4° | 120.0° |
| C15 | C19 | C24 | 121.7° | 120.0° |
| C19 | C15 | C20 | 116.1° | 120.0° |
| C19 | C24 | C26 | 120.5° | 120.0° |
| C19 | C24 | H241 | 119.8° | 120.0° |
| C15 | C20 | C23 | 121.1° | 120.0° |
| C15 | C20 | H201 | 119.5° | 120.0° |
| C28 | C29 | C27 | 118.7° | 120.0° |
| C28 | C29 | CL01 | 117.2° | 120.0° |
| C29 | C28 | H281 | 119.5° | 120.1° |
| C27 | C29 | CL01 | 124.2° | 120.0° |
| C29 | C27 | H271 | 120.4° | 120.0° |
| C24 | C26 | C23 | 118.5° | 120.0° |
| C26 | C24 | H241 | 119.7° | 120.0° |
| C24 | C26 | H261 | 120.8° | 120.0° |
| C20 | C23 | C26 | 122.2° | 120.0° |
| C20 | C23 | F04 | 118.4° | 120.0° |
| C23 | C20 | H201 | 119.4° | 120.0° |
| C26 | C23 | F04 | 119.5° | 120.0° |
| C23 | C26 | H261 | 120.8° | 120.0° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.4° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O07 | C25 | O08 | C18 | 176.4° | 179.9° |
| O07 | C25 | C18 | C16 | 107.8° | 0.0° |
| O07 | C25 | C18 | H181 | 134.6° | 119.9° |
| O07 | C25 | C18 | H182 | 9.7° | 120.0° |
| O07 | C25 | O08 | H1 | 0.0° | 0.1° |
| O08 | C25 | C18 | C16 | 68.6° | 180.0° |
| O08 | C25 | C18 | H181 | 49.0° | 60.0° |
| O08 | C25 | C18 | H182 | 173.9° | 60.1° |
| C25 | C18 | C16 | H181 | 117.5° | 120.0° |
| C25 | C18 | C16 | H182 | 117.5° | 120.0° |
| C25 | C18 | C16 | C10 | 163.1° | 180.0° |
| C25 | C18 | C16 | H161 | 76.5° | 60.0° |
| C25 | C18 | C16 | H162 | 42.8° | 60.0° |
| C25 | C18 | H181 | H182 | 126.8° | 120.0° |
| C18 | C25 | O08 | H1 | 176.3° | 180.0° |
| C18 | C16 | C10 | H161 | 120.4° | 120.0° |
| C18 | C16 | C10 | H162 | 120.4° | 120.0° |
| C18 | C16 | C10 | C14 | 65.9° | 65.0° |
| C18 | C16 | C10 | C13 | 169.2° | 175.0° |
| C18 | C16 | C10 | H101 | 50.1° | 55.0° |
| C18 | C16 | H161 | H162 | 118.9° | 120.0° |
| C16 | C18 | H181 | H182 | 126.8° | 120.0° |
| O06 | S02 | O05 | C09 | 117.6° | 131.6° |
| O06 | S02 | O05 | C17 | 123.0° | 116.7° |
| O06 | S02 | C09 | C12 | 53.6° | 73.0° |
| O06 | S02 | C09 | C17 | 129.8° | 111.6° |
| O06 | S02 | C09 | C11 | 59.6° | 167.1° |
| O06 | S02 | C09 | C15 | 178.2° | 47.0° |
| O06 | S02 | C17 | C22 | 134.3° | 15.8° |
| O06 | S02 | C17 | C21 | 47.0° | 164.6° |
| O05 | S02 | C09 | C12 | 61.1° | 63.9° |
| O05 | S02 | C09 | C17 | 115.4° | 111.6° |
| O05 | S02 | C09 | C11 | 174.4° | 56.1° |
| O05 | S02 | C09 | C15 | 63.4° | 176.1° |
| O05 | S02 | C17 | C22 | 17.2° | 143.6° |
| O05 | S02 | C17 | C21 | 164.1° | 36.7° |
| C16 | C10 | C14 | C12 | 66.9° | 180.0° |
| C16 | C10 | C14 | C13 | 119.1° | 120.0° |
| C16 | C10 | C14 | H101 | 116.2° | 120.0° |
| C16 | C10 | C13 | H101 | 119.2° | 120.0° |
| C16 | C10 | C13 | C11 | 80.8° | 180.0° |
| C16 | C10 | C13 | H132 | 39.7° | 60.0° |
| C16 | C10 | C13 | H131 | 158.6° | 60.0° |
| C16 | C10 | C14 | H141 | 53.0° | 60.0° |
| C16 | C10 | C14 | H142 | 173.1° | 60.0° |
| C10 | C16 | H161 | H162 | 118.9° | 120.0° |
| C10 | C16 | C18 | H181 | 45.6° | 60.0° |
| C10 | C16 | C18 | H182 | 79.3° | 60.0° |
| C14 | C12 | C09 | H122 | 119.6° | 120.0° |
| C14 | C12 | C09 | H121 | 119.6° | 120.1° |
| C14 | C12 | C09 | S02 | 170.6° | 60.0° |
| C12 | C14 | C10 | H141 | 120.0° | 120.0° |
| C12 | C14 | C10 | H142 | 120.0° | 120.0° |
| C14 | C12 | C09 | C11 | 63.4° | 60.0° |
| C14 | C12 | C09 | C15 | 61.0° | 180.0° |
| C12 | C14 | C10 | C13 | 52.1° | 60.0° |
| C12 | C14 | C10 | H101 | 176.9° | 60.0° |
| C14 | C12 | H122 | H121 | 121.1° | 120.1° |
| C12 | C14 | H141 | H142 | 120.0° | 120.0° |
| C12 | C09 | S02 | C11 | 113.2° | 119.9° |
| C12 | C09 | S02 | C15 | 124.6° | 120.0° |
| C12 | C09 | S02 | C17 | 176.6° | 175.5° |
| C09 | C12 | C14 | C10 | 65.3° | 60.0° |
| C12 | C09 | C11 | C15 | 123.6° | 120.0° |
| C12 | C09 | C11 | C13 | 49.1° | 60.0° |
| C12 | C09 | C15 | C19 | 29.0° | 65.2° |
| C12 | C09 | C15 | C20 | 152.3° | 114.6° |
| C12 | C09 | C11 | H112 | 170.2° | 180.0° |
| C12 | C09 | C11 | H111 | 72.0° | 60.0° |
| C09 | C12 | H122 | H121 | 121.1° | 119.9° |
| C09 | C12 | C14 | H141 | 174.7° | 180.0° |
| C09 | C12 | C14 | H142 | 54.8° | 60.0° |
| S02 | C09 | C11 | C15 | 125.7° | 120.1° |
| C09 | S02 | C17 | C22 | 98.4° | 100.3° |
| C09 | S02 | C17 | C21 | 80.3° | 79.4° |
| S02 | C09 | C11 | C13 | 159.7° | 59.9° |
| S02 | C09 | C15 | C19 | 92.8° | 174.8° |
| S02 | C09 | C15 | C20 | 85.9° | 5.4° |
| S02 | C09 | C11 | H112 | 79.2° | 60.0° |
| S02 | C09 | C11 | H111 | 38.6° | 180.0° |
| S02 | C09 | C12 | H122 | 69.8° | 60.1° |
| S02 | C09 | C12 | H121 | 50.9° | 179.9° |
| C17 | S02 | C09 | C11 | 70.2° | 55.5° |
| C17 | S02 | C09 | C15 | 52.0° | 64.5° |
| S02 | C17 | C22 | C21 | 178.8° | 179.6° |
| S02 | C17 | C22 | C28 | 177.6° | 179.7° |
| S02 | C17 | C21 | C27 | 178.2° | 179.7° |
| S02 | C17 | C21 | H211 | 1.8° | 0.4° |
| S02 | C17 | C22 | H221 | 2.3° | 0.4° |
| C14 | C10 | C13 | H101 | 124.7° | 120.0° |
| C14 | C10 | C13 | C11 | 35.3° | 60.0° |
| C14 | C10 | C13 | H132 | 155.8° | 60.0° |
| C14 | C10 | C13 | H131 | 85.3° | 180.0° |
| C10 | C14 | C12 | H122 | 175.1° | 180.0° |
| C10 | C14 | C12 | H121 | 54.4° | 60.0° |
| C10 | C14 | H141 | H142 | 120.1° | 120.0° |
| C14 | C10 | C16 | H161 | 54.5° | 175.0° |
| C14 | C10 | C16 | H162 | 173.8° | 55.0° |
| F03 | C19 | C15 | C09 | 2.0° | 0.3° |
| F03 | C19 | C15 | C24 | 179.3° | 180.0° |
| F03 | C19 | C15 | C20 | 179.3° | 179.9° |
| F03 | C19 | C24 | C26 | 179.5° | 179.4° |
| F03 | C19 | C24 | H241 | 0.5° | 0.2° |
| C09 | C11 | C13 | C10 | 33.8° | 60.1° |
| C09 | C11 | C13 | H112 | 121.1° | 119.9° |
| C09 | C11 | C13 | H111 | 121.1° | 120.1° |
| C11 | C09 | C15 | C19 | 151.4° | 54.7° |
| C11 | C09 | C15 | C20 | 29.9° | 125.5° |
| C09 | C11 | C13 | H132 | 154.4° | 59.9° |
| C09 | C11 | C13 | H131 | 86.7° | 180.0° |
| C09 | C11 | H112 | H111 | 116.5° | 120.0° |
| C11 | C09 | C12 | H122 | 177.0° | 179.9° |
| C11 | C09 | C12 | H121 | 56.2° | 60.0° |
| C15 | C09 | C11 | C13 | 74.5° | 180.0° |
| C09 | C15 | C19 | C20 | 178.7° | 179.8° |
| C09 | C15 | C19 | C24 | 178.8° | 179.8° |
| C09 | C15 | C20 | C23 | 178.8° | 180.0° |
| C09 | C15 | C20 | H201 | 1.2° | 0.1° |
| C15 | C09 | C11 | H112 | 46.6° | 60.1° |
| C15 | C09 | C11 | H111 | 164.3° | 60.0° |
| C15 | C09 | C12 | H122 | 58.7° | 60.0° |
| C15 | C09 | C12 | H121 | 179.4° | 59.9° |
| C10 | C13 | C11 | H132 | 120.5° | 120.0° |
| C10 | C13 | C11 | H131 | 120.5° | 120.0° |
| C10 | C13 | H132 | H131 | 118.3° | 120.0° |
| C10 | C13 | C11 | H112 | 154.9° | 180.0° |
| C10 | C13 | C11 | H111 | 87.3° | 60.0° |
| C13 | C10 | C14 | H141 | 172.1° | 180.0° |
| C13 | C10 | C14 | H142 | 67.9° | 60.0° |
| C13 | C10 | C16 | H161 | 70.5° | 55.0° |
| C13 | C10 | C16 | H162 | 48.8° | 65.0° |
| C17 | C22 | C28 | H221 | 180.0° | 179.9° |
| C22 | C17 | C21 | C27 | 0.5° | 0.1° |
| C17 | C22 | C28 | C29 | 1.2° | 0.0° |
| C22 | C17 | C21 | H211 | 179.5° | 180.0° |
| C17 | C22 | C28 | H281 | 178.8° | 180.0° |
| C21 | C17 | C22 | C28 | 1.2° | 0.1° |
| C17 | C21 | C27 | H211 | 180.0° | 179.9° |
| C17 | C21 | C27 | C29 | 0.2° | 0.1° |
| C21 | C17 | C22 | H221 | 178.8° | 180.0° |
| C17 | C21 | C27 | H271 | 179.8° | 180.0° |
| C22 | C28 | C29 | H281 | 180.0° | 180.0° |
| C22 | C28 | C29 | C27 | 0.5° | 0.0° |
| C22 | C28 | C29 | CL01 | 179.8° | 179.9° |
| C11 | C13 | C10 | H101 | 159.9° | 60.0° |
| C11 | C13 | H132 | H131 | 118.3° | 120.0° |
| C13 | C11 | H112 | H111 | 116.5° | 120.0° |
| C21 | C27 | C29 | C28 | 0.2° | 0.1° |
| C21 | C27 | C29 | H271 | 180.0° | 179.9° |
| C21 | C27 | C29 | CL01 | 179.5° | 179.9° |
| C15 | C19 | C24 | C26 | 1.1° | 0.5° |
| C19 | C15 | C20 | C23 | 0.1° | 0.2° |
| C19 | C15 | C20 | H201 | 179.9° | 179.7° |
| C15 | C19 | C24 | H241 | 178.9° | 179.8° |
| C24 | C19 | C15 | C20 | 0.1° | 0.0° |
| C19 | C24 | C26 | H241 | 180.0° | 179.2° |
| C19 | C24 | C26 | C23 | 2.0° | 0.8° |
| C19 | C24 | C26 | H261 | 178.0° | 179.1° |
| C15 | C20 | C23 | H201 | 180.0° | 179.9° |
| C15 | C20 | C23 | C26 | 0.8° | 0.0° |
| C15 | C20 | C23 | F04 | 179.7° | 180.0° |
| C28 | C29 | C27 | CL01 | 179.7° | 180.0° |
| C29 | C28 | C22 | H221 | 178.8° | 180.0° |
| C28 | C29 | C27 | H271 | 179.8° | 180.0° |
| C29 | C27 | C21 | H211 | 179.8° | 180.0° |
| C27 | C29 | C28 | H281 | 179.5° | 180.0° |
| CL01 | C29 | C28 | H281 | 0.2° | 0.0° |
| CL01 | C29 | C27 | H271 | 0.5° | 0.0° |
| C24 | C26 | C23 | C20 | 1.8° | 0.5° |
| C24 | C26 | C23 | H261 | 180.0° | 179.9° |
| C24 | C26 | C23 | F04 | 178.7° | 179.5° |
| C20 | C23 | C26 | F04 | 179.4° | 180.0° |
| C20 | C23 | C26 | H261 | 178.2° | 179.4° |
| C26 | C23 | C20 | H201 | 179.2° | 179.9° |
| C23 | C26 | C24 | H241 | 178.0° | 180.0° |
| F04 | C23 | C20 | H201 | 0.2° | 0.1° |
| F04 | C23 | C26 | H261 | 1.3° | 0.6° |
| H101 | C10 | C13 | H132 | 79.5° | 180.0° |
| H101 | C10 | C13 | H131 | 39.4° | 60.0° |
| H101 | C10 | C14 | H141 | 63.2° | 60.0° |
| H101 | C10 | C14 | H142 | 56.9° | NaN° |
| H101 | C10 | C16 | H161 | 170.4° | 65.0° |
| H101 | C10 | C16 | H162 | 70.3° | 175.0° |
| H132 | C13 | C11 | H112 | 84.5° | 60.0° |
| H132 | C13 | C11 | H111 | 33.2° | 180.0° |
| H131 | C13 | C11 | H112 | 34.4° | 60.1° |
| H131 | C13 | C11 | H111 | 152.2° | 60.0° |
| H211 | C21 | C27 | H271 | 0.2° | 0.1° |
| H221 | C22 | C28 | H281 | 1.2° | 0.1° |
| H241 | C24 | C26 | H261 | 2.0° | 0.1° |
| H122 | C12 | C14 | H141 | 55.1° | 60.0° |
| H122 | C12 | C14 | H142 | 64.9° | 60.0° |
| H121 | C12 | C14 | H141 | 65.6° | 60.0° |
| H121 | C12 | C14 | H142 | 174.4° | 180.0° |
| H161 | C16 | C18 | H181 | 166.0° | 179.9° |
| H161 | C16 | C18 | H182 | 41.0° | 60.0° |
| H162 | C16 | C18 | H181 | 74.8° | 60.0° |
| H162 | C16 | C18 | H182 | 160.3° | 180.0° |
