GNU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | C24 | sing | 1.36Å | 1.40Å | |
| O04 | C26 | sing | 1.43Å | 1.42Å | |
| O04 | C20 | sing | 1.36Å | 1.41Å | |
| C24 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| O02 | C12 | sing | 1.43Å | 1.41Å | |
| C22 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C08 | sing | 1.53Å | 1.54Å | |
| C16 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C10 | sing | 1.51Å | 1.54Å | |
| C08 | C10 | sing | 1.53Å | 1.54Å | |
| C08 | C07 | sing | 1.53Å | 1.56Å | |
| O01 | C11 | sing | 1.43Å | 1.42Å | |
| C09 | C07 | sing | 1.53Å | 1.53Å | |
| C09 | C13 | sing | 1.51Å | 1.54Å | |
| C07 | C11 | sing | 1.53Å | 1.53Å | |
| C13 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | O03 | sing | 1.36Å | 1.41Å | |
| C23 | O05 | sing | 1.36Å | 1.39Å | |
| C25 | O03 | sing | 1.43Å | 1.40Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O02 | H021 | sing | 0.97Å | 0.95Å | |
| O05 | H051 | sing | 0.97Å | 0.95Å | |
| O06 | H061 | sing | 0.97Å | 0.95Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | C24 | C20 | 121.1° | 120.1° |
| O06 | C24 | C22 | 119.3° | 120.0° |
| C24 | O06 | H061 | 109.5° | 114.0° |
| C26 | O04 | C20 | 123.4° | 117.0° |
| O04 | C26 | H263 | 109.5° | 109.5° |
| O04 | C26 | H262 | 109.4° | 109.5° |
| O04 | C26 | H261 | 109.5° | 109.4° |
| O04 | C20 | C24 | 118.1° | 120.1° |
| O04 | C20 | C16 | 122.5° | 120.1° |
| C20 | C24 | C22 | 119.6° | 119.9° |
| C24 | C20 | C16 | 119.3° | 119.8° |
| C24 | C22 | C18 | 120.4° | 120.0° |
| C24 | C22 | H221 | 119.8° | 120.0° |
| C20 | C16 | C14 | 121.1° | 120.0° |
| C20 | C16 | H161 | 119.5° | 120.0° |
| O02 | C12 | C08 | 111.1° | 109.5° |
| C12 | O02 | H021 | 109.5° | 114.0° |
| O02 | C12 | H121 | 109.1° | 109.5° |
| O02 | C12 | H122 | 109.0° | 109.5° |
| C22 | C18 | C14 | 120.0° | 120.1° |
| C18 | C22 | H221 | 119.8° | 120.0° |
| C22 | C18 | H181 | 120.0° | 120.0° |
| C12 | C08 | C10 | 109.7° | 109.5° |
| C12 | C08 | C07 | 112.8° | 109.5° |
| C12 | C08 | H081 | 108.8° | 109.5° |
| C08 | C12 | H121 | 109.1° | 109.5° |
| C08 | C12 | H122 | 109.1° | 109.4° |
| C16 | C14 | C18 | 119.5° | 120.2° |
| C16 | C14 | C10 | 118.1° | 120.0° |
| C14 | C16 | H161 | 119.5° | 120.0° |
| C18 | C14 | C10 | 122.3° | 119.9° |
| C14 | C18 | H181 | 120.0° | 120.0° |
| C14 | C10 | C08 | 114.7° | 109.4° |
| C14 | C10 | H101 | 108.2° | 109.4° |
| C14 | C10 | H102 | 108.1° | 109.5° |
| C10 | C08 | C07 | 108.3° | 109.4° |
| C08 | C10 | H101 | 108.1° | 109.5° |
| C08 | C10 | H102 | 108.2° | 109.5° |
| C10 | C08 | H081 | 108.7° | 109.5° |
| C08 | C07 | C09 | 111.1° | 109.5° |
| C08 | C07 | C11 | 113.5° | 109.5° |
| C08 | C07 | H071 | 107.9° | 109.5° |
| C07 | C08 | H081 | 108.5° | 109.5° |
| O01 | C11 | C07 | 109.2° | 109.5° |
| C11 | O01 | H011 | 109.5° | 114.0° |
| O01 | C11 | H111 | 109.5° | 109.5° |
| O01 | C11 | H112 | 109.5° | 109.4° |
| C07 | C09 | C13 | 112.4° | 109.5° |
| C09 | C07 | C11 | 107.6° | 109.5° |
| C09 | C07 | H071 | 108.3° | 109.4° |
| C07 | C09 | H092 | 108.7° | 109.5° |
| C07 | C09 | H091 | 108.7° | 109.5° |
| C09 | C13 | C17 | 122.8° | 119.9° |
| C09 | C13 | C15 | 117.6° | 120.0° |
| C13 | C09 | H092 | 108.7° | 109.4° |
| C13 | C09 | H091 | 108.8° | 109.5° |
| C11 | C07 | H071 | 108.3° | 109.4° |
| C07 | C11 | H111 | 109.5° | 109.5° |
| C07 | C11 | H112 | 109.5° | 109.4° |
| C17 | C13 | C15 | 119.6° | 120.1° |
| C13 | C17 | C21 | 119.7° | 120.1° |
| C13 | C17 | H171 | 120.1° | 119.9° |
| C13 | C15 | C19 | 121.2° | 120.0° |
| C13 | C15 | H151 | 119.4° | 120.0° |
| C17 | C21 | C23 | 119.8° | 120.0° |
| C21 | C17 | H171 | 120.1° | 120.0° |
| C17 | C21 | H211 | 120.1° | 120.0° |
| C15 | C19 | C23 | 119.1° | 119.9° |
| C15 | C19 | O03 | 122.5° | 120.1° |
| C19 | C15 | H151 | 119.4° | 120.0° |
| C21 | C23 | C19 | 120.6° | 119.8° |
| C21 | C23 | O05 | 120.5° | 120.1° |
| C23 | C21 | H211 | 120.1° | 120.0° |
| C23 | C19 | O03 | 118.4° | 120.0° |
| C19 | C23 | O05 | 118.9° | 120.1° |
| C19 | O03 | C25 | 121.8° | 117.0° |
| C23 | O05 | H051 | 109.5° | 114.0° |
| O03 | C25 | H252 | 109.5° | 109.5° |
| O03 | C25 | H251 | 109.5° | 109.4° |
| O03 | C25 | H253 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H263 | C26 | H262 | 109.5° | 109.5° |
| H263 | C26 | H261 | 109.5° | 109.5° |
| H262 | C26 | H261 | 109.5° | 109.4° |
| H092 | C09 | H091 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.4° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | C24 | C20 | O04 | 0.3° | 0.2° |
| O06 | C24 | C20 | C22 | 179.8° | 180.0° |
| O06 | C24 | C20 | C16 | 180.0° | 180.0° |
| O06 | C24 | C22 | C18 | 179.7° | 179.9° |
| O06 | C24 | C22 | H221 | 0.3° | 0.0° |
| C26 | O04 | C20 | C24 | 172.6° | 179.7° |
| C26 | O04 | C20 | C16 | 7.1° | 0.0° |
| O04 | C26 | H263 | H262 | 120.0° | 120.0° |
| O04 | C26 | H263 | H261 | 120.0° | 120.0° |
| O04 | C26 | H262 | H261 | 120.0° | 119.9° |
| O04 | C20 | C24 | C16 | 179.7° | 179.7° |
| O04 | C20 | C24 | C22 | 179.6° | 179.8° |
| O04 | C20 | C16 | C14 | 179.5° | 179.7° |
| C20 | O04 | C26 | H263 | 180.0° | 60.0° |
| C20 | O04 | C26 | H262 | 60.0° | 60.1° |
| C20 | O04 | C26 | H261 | 60.0° | 180.0° |
| O04 | C20 | C16 | H161 | 0.5° | 0.3° |
| C20 | C24 | C22 | C18 | 0.5° | 0.1° |
| C24 | C20 | C16 | C14 | 0.8° | 0.0° |
| C20 | C24 | C22 | H221 | 179.5° | 180.0° |
| C20 | C24 | O06 | H061 | 180.0° | 90.0° |
| C24 | C20 | C16 | H161 | 179.2° | 180.0° |
| C22 | C24 | C20 | C16 | 0.2° | 0.1° |
| C24 | C22 | C18 | H221 | 180.0° | 179.9° |
| C24 | C22 | C18 | C14 | 0.2° | 0.1° |
| C22 | C24 | O06 | H061 | 0.2° | 90.0° |
| C24 | C22 | C18 | H181 | 179.8° | 180.0° |
| C20 | C16 | C14 | H161 | 180.0° | 180.0° |
| C20 | C16 | C14 | C18 | 1.5° | 0.0° |
| C20 | C16 | C14 | C10 | 179.3° | 180.0° |
| O02 | C12 | C08 | H121 | 120.2° | 120.0° |
| O02 | C12 | C08 | H122 | 120.3° | 120.0° |
| O02 | C12 | C08 | C10 | 179.2° | 65.0° |
| O02 | C12 | C08 | C07 | 58.4° | 175.0° |
| O02 | C12 | C08 | H081 | 62.0° | 55.0° |
| O02 | C12 | H121 | H122 | 119.2° | 120.0° |
| C22 | C18 | C14 | C16 | 1.1° | 0.0° |
| C22 | C18 | C14 | H181 | 180.0° | 180.0° |
| C22 | C18 | C14 | C10 | 178.8° | 180.0° |
| C12 | C08 | C10 | C14 | 62.6° | 65.0° |
| C12 | C08 | C10 | C07 | 123.5° | 120.0° |
| C12 | C08 | C10 | H081 | 118.8° | 120.0° |
| C12 | C08 | C07 | H081 | 120.6° | 120.1° |
| C12 | C08 | C07 | C09 | 75.2° | 179.9° |
| C12 | C08 | C07 | C11 | 46.3° | 60.0° |
| C12 | C08 | C10 | H101 | 176.6° | 55.0° |
| C12 | C08 | C10 | H102 | 58.1° | 175.0° |
| C08 | C12 | O02 | H021 | 180.0° | 179.9° |
| C12 | C08 | C07 | H071 | 166.3° | 60.0° |
| C08 | C12 | H121 | H122 | 119.3° | 120.0° |
| C16 | C14 | C18 | C10 | 177.7° | 180.0° |
| C16 | C14 | C10 | C08 | 99.6° | 90.0° |
| C16 | C14 | C10 | H101 | 139.6° | 30.0° |
| C16 | C14 | C10 | H102 | 21.1° | 150.0° |
| C16 | C14 | C18 | H181 | 178.9° | 180.0° |
| C18 | C14 | C10 | C08 | 82.6° | 90.0° |
| C18 | C14 | C10 | H101 | 38.2° | 150.0° |
| C18 | C14 | C10 | H102 | 156.6° | 30.0° |
| C14 | C18 | C22 | H221 | 179.8° | 180.0° |
| C18 | C14 | C16 | H161 | 178.6° | 180.0° |
| C14 | C10 | C08 | H101 | 120.8° | 120.0° |
| C14 | C10 | C08 | H102 | 120.8° | 120.0° |
| C14 | C10 | C08 | C07 | 173.9° | 175.0° |
| C14 | C10 | H101 | H102 | 117.6° | 120.0° |
| C14 | C10 | C08 | H081 | 56.2° | 55.1° |
| C10 | C14 | C16 | H161 | 0.7° | 0.0° |
| C10 | C14 | C18 | H181 | 1.2° | 0.0° |
| C10 | C08 | C07 | H081 | 117.9° | 120.0° |
| C10 | C08 | C07 | C09 | 163.2° | 60.0° |
| C10 | C08 | C07 | C11 | 75.3° | 180.0° |
| C08 | C10 | H101 | H102 | 117.6° | 120.1° |
| C10 | C08 | C07 | H071 | 44.7° | 60.0° |
| C10 | C08 | C12 | H121 | 60.6° | 55.0° |
| C10 | C08 | C12 | H122 | 58.9° | 175.0° |
| C08 | C07 | C11 | O01 | 78.7° | 175.0° |
| C08 | C07 | C09 | C11 | 124.8° | 120.0° |
| C08 | C07 | C09 | H071 | 118.3° | 120.0° |
| C08 | C07 | C09 | C13 | 165.2° | 175.0° |
| C08 | C07 | C11 | H071 | 119.8° | 120.0° |
| C07 | C08 | C10 | H101 | 53.1° | 65.0° |
| C07 | C08 | C10 | H102 | 65.3° | 55.0° |
| C08 | C07 | C09 | H092 | 74.3° | 55.0° |
| C08 | C07 | C09 | H091 | 44.8° | 65.0° |
| C08 | C07 | C11 | H111 | 41.3° | 65.0° |
| C08 | C07 | C11 | H112 | 161.4° | 55.0° |
| C07 | C08 | C12 | H121 | 178.7° | 65.0° |
| C07 | C08 | C12 | H122 | 61.8° | 55.0° |
| O01 | C11 | C07 | C09 | 44.7° | 65.0° |
| O01 | C11 | C07 | H111 | 120.0° | 120.0° |
| O01 | C11 | C07 | H112 | 120.0° | 120.0° |
| O01 | C11 | C07 | H071 | 161.5° | 54.9° |
| O01 | C11 | H111 | H112 | 120.1° | 120.0° |
| C07 | C09 | C13 | H092 | 120.5° | 120.1° |
| C07 | C09 | C13 | H091 | 120.4° | 120.0° |
| C09 | C07 | C11 | H071 | 116.8° | 119.9° |
| C07 | C09 | C13 | C17 | 98.0° | 89.9° |
| C07 | C09 | C13 | C15 | 83.2° | 89.7° |
| C09 | C07 | C08 | H081 | 45.4° | 60.0° |
| C07 | C09 | H092 | H091 | 118.6° | 120.0° |
| C09 | C07 | C11 | H111 | 164.6° | 55.0° |
| C09 | C07 | C11 | H112 | 75.3° | 175.0° |
| C13 | C09 | C07 | C11 | 69.9° | 65.0° |
| C09 | C13 | C17 | C15 | 178.8° | 179.6° |
| C09 | C13 | C17 | C21 | 179.3° | 179.7° |
| C09 | C13 | C15 | C19 | 178.8° | 179.7° |
| C09 | C13 | C15 | H151 | 1.2° | 0.3° |
| C09 | C13 | C17 | H171 | 0.7° | 0.4° |
| C13 | C09 | C07 | H071 | 46.9° | 55.0° |
| C13 | C09 | H092 | H091 | 118.7° | 120.0° |
| C07 | C11 | O01 | H011 | 180.0° | 180.0° |
| C11 | C07 | C08 | H081 | 166.8° | 60.0° |
| C11 | C07 | C09 | H092 | 50.5° | 175.0° |
| C11 | C07 | C09 | H091 | 169.6° | 55.0° |
| C07 | C11 | H111 | H112 | 120.1° | 120.0° |
| C13 | C17 | C21 | H171 | 180.0° | 179.9° |
| C17 | C13 | C15 | C19 | 0.0° | 0.1° |
| C13 | C17 | C21 | C23 | 0.5° | 0.1° |
| C17 | C13 | C15 | H151 | 180.0° | 180.0° |
| C13 | C17 | C21 | H211 | 179.5° | 180.0° |
| C17 | C13 | C09 | H092 | 22.4° | 150.0° |
| C17 | C13 | C09 | H091 | 141.6° | 30.1° |
| C15 | C13 | C17 | C21 | 0.5° | 0.1° |
| C13 | C15 | C19 | H151 | 180.0° | 179.9° |
| C13 | C15 | C19 | C23 | 0.6° | 0.1° |
| C13 | C15 | C19 | O03 | 179.4° | 180.0° |
| C15 | C13 | C17 | H171 | 179.5° | 180.0° |
| C15 | C13 | C09 | H092 | 156.3° | 30.4° |
| C15 | C13 | C09 | H091 | 37.2° | 150.3° |
| C17 | C21 | C23 | H211 | 180.0° | 179.9° |
| C17 | C21 | C23 | C19 | 0.1° | 0.1° |
| C17 | C21 | C23 | O05 | 179.9° | 180.0° |
| C15 | C19 | C23 | C21 | 0.6° | 0.1° |
| C15 | C19 | C23 | O03 | 180.0° | 179.9° |
| C15 | C19 | C23 | O05 | 179.4° | 180.0° |
| C15 | C19 | O03 | C25 | 2.8° | 0.0° |
| C21 | C23 | C19 | O05 | 180.0° | 180.0° |
| C21 | C23 | C19 | O03 | 179.4° | 180.0° |
| C23 | C21 | C17 | H171 | 179.5° | 180.0° |
| C21 | C23 | O05 | H051 | 180.0° | 90.0° |
| C23 | C19 | O03 | C25 | 177.2° | 180.0° |
| C23 | C19 | C15 | H151 | 179.4° | 180.0° |
| C19 | C23 | C21 | H211 | 179.9° | 180.0° |
| C19 | C23 | O05 | H051 | 0.1° | 89.9° |
| O03 | C19 | C23 | O05 | 0.6° | 0.0° |
| O03 | C19 | C15 | H151 | 0.6° | 0.1° |
| C19 | O03 | C25 | H252 | 180.0° | 180.0° |
| C19 | O03 | C25 | H251 | 60.0° | 59.9° |
| C19 | O03 | C25 | H253 | 60.0° | 59.9° |
| O05 | C23 | C21 | H211 | 0.1° | 0.0° |
| O03 | C25 | H252 | H251 | 120.0° | 120.0° |
| O03 | C25 | H252 | H253 | 120.0° | 120.0° |
| O03 | C25 | H251 | H253 | 120.0° | 119.9° |
| H101 | C10 | C08 | H081 | 64.6° | 175.0° |
| H102 | C10 | C08 | H081 | 177.0° | 65.0° |
| H171 | C17 | C21 | H211 | 0.5° | 0.1° |
| H221 | C22 | C18 | H181 | 0.2° | 0.0° |
| H263 | C26 | H262 | H261 | 120.0° | 120.0° |
| H011 | O01 | C11 | H111 | 60.0° | 60.0° |
| H011 | O01 | C11 | H112 | 60.0° | 60.0° |
| H021 | O02 | C12 | H121 | 59.7° | 60.0° |
| H021 | O02 | C12 | H122 | 59.7° | 60.0° |
| H071 | C07 | C08 | H081 | 73.2° | 180.0° |
| H071 | C07 | C09 | H092 | 167.3° | 65.0° |
| H071 | C07 | C09 | H091 | 73.6° | 175.0° |
| H071 | C07 | C11 | H111 | 78.5° | 175.0° |
| H071 | C07 | C11 | H112 | 41.6° | 65.0° |
| H081 | C08 | C12 | H121 | 58.2° | 175.0° |
| H081 | C08 | C12 | H122 | 177.7° | 65.0° |
| H252 | C25 | H251 | H253 | 120.0° | 120.0° |
