OL2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | O03 | sing | 1.43Å | 1.40Å | |
| O03 | C04 | sing | 1.36Å | 1.40Å | |
| C04 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C28 | doub | 1.40Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.48Å | 1.38Å | Aromatic |
| C06 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C07 | N08 | doub | 1.33Å | 1.33Å | Aromatic |
| C07 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| N08 | C09 | sing | 1.33Å | 1.34Å | Aromatic |
| C09 | C10 | sing | 1.48Å | 1.38Å | Aromatic |
| C09 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | O13 | sing | 1.36Å | 1.40Å | |
| C12 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| O13 | C14 | sing | 1.43Å | 1.40Å | |
| C15 | O16 | sing | 1.36Å | 1.40Å | |
| C15 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| O16 | C17 | sing | 1.43Å | 1.41Å | |
| C18 | O19 | sing | 1.36Å | 1.40Å | |
| C18 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| O19 | C20 | sing | 1.43Å | 1.40Å | |
| C22 | N23 | sing | 1.32Å | 1.34Å | Aromatic |
| N23 | C24 | doub | 1.33Å | 1.34Å | Aromatic |
| C24 | N25 | sing | 1.39Å | 1.45Å | |
| C26 | C27 | doub | 1.37Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.40Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.47Å | 1.52Å | |
| C29 | O30 | doub | 1.22Å | 1.19Å | |
| C29 | O31 | sing | 1.35Å | 1.40Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| N25 | H251 | sing | 0.97Å | 1.00Å | |
| N25 | H252 | sing | 0.97Å | 1.00Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | O03 | 116.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.4° |
| C01 | C02 | H021 | 107.2° | 109.5° |
| C01 | C02 | H022 | 105.6° | 109.5° |
| C02 | O03 | C04 | 120.6° | 117.0° |
| O03 | C02 | H021 | 107.2° | 109.5° |
| O03 | C02 | H022 | 105.6° | 109.5° |
| O03 | C04 | C05 | 120.1° | 120.2° |
| O03 | C04 | C28 | 119.9° | 120.1° |
| C05 | C04 | C28 | 120.0° | 119.7° |
| C04 | C05 | C06 | 119.3° | 119.9° |
| C04 | C05 | H05 | 120.3° | 120.1° |
| C04 | C28 | C27 | 120.5° | 119.9° |
| C04 | C28 | C29 | 120.8° | 120.1° |
| C05 | C06 | C07 | 121.1° | 119.9° |
| C05 | C06 | C26 | 120.5° | 120.1° |
| C06 | C05 | H05 | 120.3° | 120.0° |
| C07 | C06 | C26 | 118.4° | 119.9° |
| C06 | C07 | N08 | 119.4° | 120.1° |
| C06 | C07 | C24 | 120.5° | 120.1° |
| C06 | C26 | C27 | 120.2° | 120.3° |
| C06 | C26 | H26 | 119.9° | 119.9° |
| N08 | C07 | C24 | 119.5° | 119.9° |
| C07 | N08 | C09 | 120.6° | 119.9° |
| C07 | C24 | N23 | 119.7° | 119.9° |
| C07 | C24 | N25 | 120.1° | 120.1° |
| N08 | C09 | C10 | 118.2° | 119.9° |
| N08 | C09 | C22 | 120.1° | 120.1° |
| C10 | C09 | C22 | 121.7° | 120.0° |
| C09 | C10 | C11 | 118.6° | 120.0° |
| C09 | C10 | C21 | 121.1° | 120.0° |
| C09 | C22 | N23 | 119.3° | 120.2° |
| C09 | C22 | H22 | 120.4° | 119.9° |
| C11 | C10 | C21 | 120.3° | 119.9° |
| C10 | C11 | C12 | 119.9° | 120.0° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C10 | C21 | C18 | 120.1° | 119.9° |
| C10 | C21 | H21 | 120.0° | 120.0° |
| C11 | C12 | O13 | 120.1° | 120.0° |
| C11 | C12 | C15 | 120.0° | 120.0° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| O13 | C12 | C15 | 119.9° | 120.0° |
| C12 | O13 | C14 | 119.7° | 117.0° |
| C12 | C15 | O16 | 117.9° | 119.9° |
| C12 | C15 | C18 | 120.1° | 120.1° |
| O13 | C14 | H141 | 109.5° | 109.5° |
| O13 | C14 | H142 | 109.4° | 109.4° |
| O13 | C14 | H143 | 109.5° | 109.5° |
| O16 | C15 | C18 | 122.0° | 120.0° |
| C15 | O16 | C17 | 119.0° | 117.0° |
| C15 | C18 | O19 | 121.5° | 119.9° |
| C15 | C18 | C21 | 119.6° | 120.1° |
| O16 | C17 | H171 | 109.5° | 109.5° |
| O16 | C17 | H172 | 109.4° | 109.4° |
| O16 | C17 | H173 | 109.4° | 109.5° |
| O19 | C18 | C21 | 118.9° | 120.0° |
| C18 | O19 | C20 | 119.0° | 117.0° |
| C18 | C21 | H21 | 120.0° | 120.1° |
| O19 | C20 | H201 | 109.5° | 109.5° |
| O19 | C20 | H202 | 109.5° | 109.5° |
| O19 | C20 | H203 | 109.4° | 109.5° |
| C22 | N23 | C24 | 120.7° | 120.1° |
| N23 | C22 | H22 | 120.4° | 119.9° |
| N23 | C24 | N25 | 120.2° | 120.0° |
| C24 | N25 | H251 | 109.5° | 119.9° |
| C24 | N25 | H252 | 109.4° | 120.0° |
| C26 | C27 | C28 | 119.4° | 120.1° |
| C27 | C26 | H26 | 119.9° | 119.8° |
| C26 | C27 | H27 | 120.3° | 119.9° |
| C27 | C28 | C29 | 118.6° | 120.0° |
| C28 | C27 | H27 | 120.3° | 119.9° |
| C28 | C29 | O30 | 120.1° | 120.0° |
| C28 | C29 | O31 | 118.3° | 120.0° |
| O30 | C29 | O31 | 120.4° | 120.0° |
| C29 | O31 | H31 | 109.5° | 117.0° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H021 | C02 | H022 | 115.1° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.4° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H171 | C17 | H173 | 109.4° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H201 | C20 | H203 | 109.4° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H251 | N25 | H252 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | O03 | H021 | 120.0° | 120.0° |
| C01 | C02 | O03 | H022 | 116.8° | 120.0° |
| C01 | C02 | O03 | C04 | 161.9° | 180.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 119.9° |
| C01 | C02 | H021 | H022 | 117.1° | 120.0° |
| C02 | O03 | C04 | C05 | 52.7° | 0.0° |
| C02 | O03 | C04 | C28 | 129.3° | 179.7° |
| O03 | C02 | C01 | H011 | 62.0° | 60.0° |
| O03 | C02 | C01 | H012 | 58.0° | 180.0° |
| O03 | C02 | C01 | H013 | 178.0° | 60.0° |
| O03 | C02 | H021 | H022 | 117.1° | 120.0° |
| O03 | C04 | C05 | C28 | 178.1° | 179.7° |
| O03 | C04 | C05 | C06 | 178.3° | 180.0° |
| O03 | C04 | C28 | C27 | 178.6° | 179.7° |
| O03 | C04 | C28 | C29 | 1.7° | 0.0° |
| C04 | O03 | C02 | H021 | 78.1° | 60.0° |
| C04 | O03 | C02 | H022 | 45.1° | 59.9° |
| O03 | C04 | C05 | H05 | 1.7° | 0.0° |
| C04 | C05 | C06 | H05 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 178.5° | 180.0° |
| C04 | C05 | C06 | C26 | 0.6° | 0.0° |
| C05 | C04 | C28 | C27 | 0.5° | 0.6° |
| C05 | C04 | C28 | C29 | 179.8° | 179.7° |
| C28 | C04 | C05 | C06 | 0.2° | 0.3° |
| C04 | C28 | C27 | C26 | 0.1° | 0.6° |
| C04 | C28 | C27 | C29 | 179.7° | 179.7° |
| C04 | C28 | C29 | O30 | 46.3° | 0.0° |
| C04 | C28 | C29 | O31 | 146.0° | 180.0° |
| C28 | C04 | C05 | H05 | 179.8° | 179.8° |
| C04 | C28 | C27 | H27 | 180.0° | 179.7° |
| C05 | C06 | C07 | C26 | 177.9° | 180.0° |
| C05 | C06 | C07 | N08 | 55.4° | 44.2° |
| C05 | C06 | C07 | C24 | 133.5° | 136.1° |
| C05 | C06 | C26 | C27 | 1.1° | 0.0° |
| C05 | C06 | C26 | H26 | 178.9° | 180.0° |
| C06 | C07 | N08 | C24 | 171.2° | 179.7° |
| C06 | C07 | N08 | C09 | 176.9° | 180.0° |
| C06 | C07 | C24 | N23 | 176.3° | 179.7° |
| C06 | C07 | C24 | N25 | 5.6° | 0.0° |
| C07 | C06 | C26 | C27 | 179.1° | 180.0° |
| C07 | C06 | C05 | H05 | 1.5° | 0.0° |
| C07 | C06 | C26 | H26 | 0.9° | 0.0° |
| C26 | C06 | C07 | N08 | 122.6° | 135.8° |
| C26 | C06 | C07 | C24 | 48.6° | 43.9° |
| C06 | C26 | C27 | H26 | 180.0° | 179.9° |
| C06 | C26 | C27 | C28 | 0.8° | 0.3° |
| C26 | C06 | C05 | H05 | 179.4° | 180.0° |
| C06 | C26 | C27 | H27 | 179.2° | 180.0° |
| C07 | N08 | C09 | C10 | 178.4° | 180.0° |
| C07 | N08 | C09 | C22 | 3.3° | 0.0° |
| N08 | C07 | C24 | N23 | 5.2° | 0.6° |
| N08 | C07 | C24 | N25 | 176.8° | 179.7° |
| C24 | C07 | N08 | C09 | 5.6° | 0.3° |
| C07 | C24 | N23 | C22 | 2.4° | 0.6° |
| C07 | C24 | N23 | N25 | 178.0° | 179.7° |
| C07 | C24 | N25 | H251 | 12.9° | 8.6° |
| C07 | C24 | N25 | H252 | 107.1° | 171.4° |
| N08 | C09 | C10 | C22 | 178.3° | 180.0° |
| N08 | C09 | C10 | C11 | 4.0° | 175.0° |
| N08 | C09 | C10 | C21 | 177.2° | 4.8° |
| N08 | C09 | C22 | N23 | 0.4° | 0.1° |
| N08 | C09 | C22 | H22 | 179.6° | 180.0° |
| C09 | C10 | C11 | C21 | 178.8° | 179.8° |
| C09 | C10 | C11 | C12 | 179.1° | 180.0° |
| C09 | C10 | C21 | C18 | 179.0° | 179.7° |
| C10 | C09 | C22 | N23 | 178.7° | 179.9° |
| C10 | C09 | C22 | H22 | 1.3° | 0.0° |
| C09 | C10 | C11 | H11 | 0.8° | 0.0° |
| C09 | C10 | C21 | H21 | 1.1° | 0.0° |
| C22 | C09 | C10 | C11 | 174.3° | 5.0° |
| C22 | C09 | C10 | C21 | 4.5° | 175.2° |
| C09 | C22 | N23 | H22 | 180.0° | 179.9° |
| C09 | C22 | N23 | C24 | 0.0° | 0.4° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | O13 | 179.0° | 180.0° |
| C10 | C11 | C12 | C15 | 0.1° | 0.1° |
| C11 | C10 | C21 | C18 | 0.2° | 0.5° |
| C11 | C10 | C21 | H21 | 179.8° | 179.8° |
| C21 | C10 | C11 | C12 | 0.3° | 0.2° |
| C10 | C21 | C18 | C15 | 0.2° | 0.5° |
| C10 | C21 | C18 | O19 | 179.1° | 179.7° |
| C10 | C21 | C18 | H21 | 180.0° | 179.7° |
| C21 | C10 | C11 | H11 | 179.6° | 179.8° |
| C11 | C12 | O13 | C15 | 179.1° | 179.9° |
| C11 | C12 | O13 | C14 | 6.7° | 0.1° |
| C11 | C12 | C15 | O16 | 178.4° | 180.0° |
| C11 | C12 | C15 | C18 | 0.3° | 0.1° |
| O13 | C12 | C15 | O16 | 2.5° | 0.1° |
| O13 | C12 | C15 | C18 | 179.4° | 180.0° |
| O13 | C12 | C11 | H11 | 1.0° | 0.0° |
| C12 | O13 | C14 | H141 | 83.6° | 59.9° |
| C12 | O13 | C14 | H142 | 36.4° | 179.9° |
| C12 | O13 | C14 | H143 | 156.4° | 60.1° |
| C15 | C12 | O13 | C14 | 172.4° | 180.0° |
| C12 | C15 | O16 | C18 | 178.1° | 179.9° |
| C12 | C15 | O16 | C17 | 69.9° | 90.0° |
| C12 | C15 | C18 | O19 | 179.3° | 180.0° |
| C12 | C15 | C18 | C21 | 0.4° | 0.2° |
| C15 | C12 | C11 | H11 | 179.9° | 180.0° |
| O13 | C14 | H141 | H142 | 120.0° | 119.9° |
| O13 | C14 | H141 | H143 | 120.0° | 120.0° |
| O13 | C14 | H142 | H143 | 120.0° | 120.0° |
| O16 | C15 | C18 | O19 | 2.7° | 0.0° |
| O16 | C15 | C18 | C21 | 178.5° | 179.7° |
| C15 | O16 | C17 | H171 | 87.7° | 60.0° |
| C15 | O16 | C17 | H172 | 32.4° | 60.0° |
| C15 | O16 | C17 | H173 | 152.4° | 180.0° |
| C18 | C15 | O16 | C17 | 108.2° | 89.9° |
| C15 | C18 | O19 | C21 | 178.8° | 179.7° |
| C15 | C18 | O19 | C20 | 63.1° | 180.0° |
| C15 | C18 | C21 | H21 | 179.8° | 179.7° |
| O16 | C17 | H171 | H172 | 120.0° | 120.0° |
| O16 | C17 | H171 | H173 | 120.0° | 120.0° |
| O16 | C17 | H172 | H173 | 120.0° | 120.0° |
| O19 | C18 | C21 | H21 | 0.9° | 0.0° |
| C18 | O19 | C20 | H201 | 126.7° | 60.0° |
| C18 | O19 | C20 | H202 | 6.7° | 60.0° |
| C18 | O19 | C20 | H203 | 113.3° | 180.0° |
| C21 | C18 | O19 | C20 | 118.0° | 0.3° |
| O19 | C20 | H201 | H202 | 120.0° | 120.0° |
| O19 | C20 | H201 | H203 | 120.0° | 120.0° |
| O19 | C20 | H202 | H203 | 120.0° | 120.0° |
| C22 | N23 | C24 | N25 | 179.6° | 179.7° |
| C24 | N23 | C22 | H22 | 180.0° | 179.7° |
| N23 | C24 | N25 | H251 | 165.1° | 171.1° |
| N23 | C24 | N25 | H252 | 74.9° | 8.9° |
| C24 | N25 | H251 | H252 | 120.0° | 180.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.7° |
| C26 | C27 | C28 | C29 | 179.8° | 179.7° |
| C27 | C28 | C29 | O30 | 134.0° | 179.7° |
| C27 | C28 | C29 | O31 | 33.7° | 0.3° |
| C28 | C27 | C26 | H26 | 179.3° | 179.7° |
| C28 | C29 | O30 | O31 | 167.5° | 180.0° |
| C29 | C28 | C27 | H27 | 0.2° | 0.0° |
| C28 | C29 | O31 | H31 | 167.7° | 180.0° |
| O30 | C29 | O31 | H31 | 0.0° | 0.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.1° |
| H011 | C01 | C02 | H021 | 58.0° | 180.0° |
| H011 | C01 | C02 | H022 | 178.8° | 60.0° |
| H012 | C01 | C02 | H021 | 178.0° | 60.0° |
| H012 | C01 | C02 | H022 | 58.8° | 60.0° |
| H013 | C01 | C02 | H021 | 62.0° | 60.0° |
| H013 | C01 | C02 | H022 | 61.2° | 180.0° |
| H26 | C26 | C27 | H27 | 0.8° | 0.1° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H171 | C17 | H172 | H173 | 120.0° | 120.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
