GO6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C25 | O03 | sing | 1.43Å | 1.40Å | |
O03 | C19 | sing | 1.36Å | 1.40Å | |
O05 | C23 | sing | 1.36Å | 1.40Å | |
C19 | C23 | doub | 1.39Å | 1.37Å | Aromatic |
C19 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
C23 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
C15 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
C21 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
C13 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
C13 | C09 | sing | 1.51Å | 1.52Å | |
C11 | O01 | sing | 1.43Å | 1.40Å | |
C11 | C07 | sing | 1.53Å | 1.52Å | |
C09 | C07 | sing | 1.53Å | 1.52Å | |
C07 | C08 | sing | 1.53Å | 1.55Å | |
C10 | C08 | sing | 1.53Å | 1.54Å | |
C10 | C14 | sing | 1.51Å | 1.53Å | |
C18 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
C18 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
C08 | C12 | sing | 1.53Å | 1.54Å | |
C14 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
C22 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
C16 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
C24 | C20 | sing | 1.39Å | 1.37Å | Aromatic |
C24 | O06 | sing | 1.36Å | 1.39Å | |
C20 | O04 | sing | 1.36Å | 1.39Å | |
C12 | O02 | sing | 1.43Å | 1.40Å | |
O04 | C26 | sing | 1.43Å | 1.40Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
C10 | H101 | 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 | H262 | sing | 1.09Å | 1.10Å | |
C26 | H261 | sing | 1.09Å | 1.10Å | |
C26 | H263 | 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 | H253 | sing | 1.09Å | 1.10Å | |
C25 | H251 | sing | 1.09Å | 1.10Å | |
C25 | H252 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C25 | O03 | C19 | 122.3° | 117.0° |
O03 | C25 | H253 | 109.5° | 109.5° |
O03 | C25 | H251 | 109.5° | 109.5° |
O03 | C25 | H252 | 109.5° | 109.5° |
O03 | C19 | C23 | 117.7° | 120.0° |
O03 | C19 | C15 | 122.9° | 120.1° |
O05 | C23 | C19 | 118.4° | 120.1° |
O05 | C23 | C21 | 121.3° | 120.1° |
C23 | O05 | H051 | 109.5° | 114.0° |
C23 | C19 | C15 | 119.5° | 119.9° |
C19 | C23 | C21 | 120.2° | 119.8° |
C19 | C15 | C13 | 120.9° | 120.0° |
C19 | C15 | H151 | 119.5° | 120.0° |
C23 | C21 | C17 | 120.3° | 120.0° |
C23 | C21 | H211 | 119.9° | 120.0° |
C15 | C13 | C17 | 120.4° | 120.2° |
C15 | C13 | C09 | 115.7° | 119.9° |
C13 | C15 | H151 | 119.5° | 120.1° |
C21 | C17 | C13 | 118.7° | 120.2° |
C21 | C17 | H171 | 120.7° | 119.9° |
C17 | C21 | H211 | 119.8° | 120.0° |
C17 | C13 | C09 | 123.9° | 119.9° |
C13 | C17 | H171 | 120.6° | 119.9° |
C13 | C09 | C07 | 115.1° | 109.5° |
C13 | C09 | H092 | 108.1° | 109.5° |
C13 | C09 | H091 | 108.0° | 109.4° |
O01 | C11 | C07 | 110.9° | 109.5° |
C11 | O01 | H011 | 109.5° | 114.0° |
O01 | C11 | H111 | 109.1° | 109.5° |
O01 | C11 | H112 | 109.1° | 109.5° |
C11 | C07 | C09 | 106.9° | 109.5° |
C11 | C07 | C08 | 109.4° | 109.5° |
C11 | C07 | H071 | 109.5° | 109.4° |
C07 | C11 | H111 | 109.1° | 109.4° |
C07 | C11 | H112 | 109.1° | 109.5° |
C09 | C07 | C08 | 112.2° | 109.5° |
C09 | C07 | H071 | 109.6° | 109.5° |
C07 | C09 | H092 | 108.0° | 109.5° |
C07 | C09 | H091 | 108.1° | 109.5° |
C07 | C08 | C10 | 113.2° | 109.5° |
C07 | C08 | C12 | 112.4° | 109.5° |
C08 | C07 | H071 | 109.2° | 109.5° |
C07 | C08 | H081 | 107.8° | 109.5° |
C08 | C10 | C14 | 113.8° | 109.5° |
C10 | C08 | C12 | 107.3° | 109.5° |
C08 | C10 | H102 | 108.4° | 109.5° |
C08 | C10 | H101 | 108.4° | 109.5° |
C10 | C08 | H081 | 108.0° | 109.5° |
C10 | C14 | C18 | 120.8° | 119.9° |
C10 | C14 | C16 | 119.6° | 119.9° |
C14 | C10 | H102 | 108.4° | 109.5° |
C14 | C10 | H101 | 108.4° | 109.4° |
C14 | C18 | C22 | 119.7° | 120.2° |
C18 | C14 | C16 | 119.6° | 120.2° |
C14 | C18 | H181 | 120.1° | 120.0° |
C18 | C22 | C24 | 120.1° | 120.0° |
C18 | C22 | H221 | 119.9° | 120.0° |
C22 | C18 | H181 | 120.1° | 119.9° |
C08 | C12 | O02 | 112.4° | 109.5° |
C12 | C08 | H081 | 107.9° | 109.4° |
C08 | C12 | H121 | 108.8° | 109.4° |
C08 | C12 | H122 | 108.7° | 109.4° |
C14 | C16 | C20 | 120.2° | 120.0° |
C14 | C16 | H161 | 119.9° | 120.0° |
C22 | C24 | C20 | 119.9° | 119.8° |
C22 | C24 | O06 | 120.7° | 120.1° |
C24 | C22 | H221 | 119.9° | 120.0° |
C16 | C20 | C24 | 120.5° | 119.9° |
C16 | C20 | O04 | 121.2° | 120.1° |
C20 | C16 | H161 | 119.9° | 120.0° |
C20 | C24 | O06 | 119.4° | 120.1° |
C24 | C20 | O04 | 118.3° | 120.1° |
C24 | O06 | H061 | 109.5° | 114.0° |
C20 | O04 | C26 | 116.0° | 117.0° |
C12 | O02 | H021 | 109.5° | 114.0° |
O02 | C12 | H121 | 108.7° | 109.5° |
O02 | C12 | H122 | 108.7° | 109.5° |
O04 | C26 | H262 | 109.5° | 109.5° |
O04 | C26 | H261 | 109.4° | 109.5° |
O04 | C26 | H263 | 109.5° | 109.5° |
H102 | C10 | H101 | 109.5° | 109.4° |
H262 | C26 | H261 | 109.5° | 109.4° |
H262 | C26 | H263 | 109.5° | 109.5° |
H261 | C26 | H263 | 109.5° | 109.5° |
H092 | C09 | H091 | 109.5° | 109.4° |
H111 | C11 | H112 | 109.5° | 109.5° |
H121 | C12 | H122 | 109.5° | 109.5° |
H253 | C25 | H251 | 109.5° | 109.5° |
H253 | C25 | H252 | 109.4° | 109.4° |
H251 | C25 | H252 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C25 | O03 | C19 | C23 | 164.9° | 180.0° |
C25 | O03 | C19 | C15 | 15.9° | 0.8° |
O03 | C25 | H253 | H251 | 120.0° | 120.0° |
O03 | C25 | H253 | H252 | 120.0° | 120.0° |
O03 | C25 | H251 | H252 | 120.0° | 120.0° |
O03 | C19 | C23 | O05 | 0.6° | 0.1° |
O03 | C19 | C23 | C15 | 179.2° | 179.2° |
O03 | C19 | C23 | C21 | 179.3° | 180.0° |
O03 | C19 | C15 | C13 | 180.0° | 179.8° |
O03 | C19 | C15 | H151 | 0.0° | 0.3° |
C19 | O03 | C25 | H253 | 180.0° | 180.0° |
C19 | O03 | C25 | H251 | 60.0° | 60.0° |
C19 | O03 | C25 | H252 | 60.0° | 60.0° |
O05 | C23 | C19 | C21 | 179.8° | 179.9° |
O05 | C23 | C19 | C15 | 179.7° | 179.2° |
O05 | C23 | C21 | C17 | 179.9° | 179.5° |
O05 | C23 | C21 | H211 | 0.1° | 0.7° |
C23 | C19 | C15 | C13 | 0.9° | 0.5° |
C19 | C23 | C21 | C17 | 0.3° | 0.5° |
C23 | C19 | C15 | H151 | 179.2° | 179.5° |
C19 | C23 | C21 | H211 | 179.7° | 179.4° |
C19 | C23 | O05 | H051 | 180.0° | 90.0° |
C15 | C19 | C23 | C21 | 0.1° | 0.8° |
C19 | C15 | C13 | H151 | 180.0° | 180.0° |
C19 | C15 | C13 | C17 | 1.2° | 0.0° |
C19 | C15 | C13 | C09 | 179.5° | 179.7° |
C23 | C21 | C17 | H211 | 180.0° | 179.9° |
C23 | C21 | C17 | C13 | 0.1° | 0.1° |
C23 | C21 | C17 | H171 | 179.9° | 180.0° |
C21 | C23 | O05 | H051 | 0.2° | 90.1° |
C15 | C13 | C17 | C21 | 0.9° | 0.3° |
C15 | C13 | C17 | C09 | 178.1° | 179.7° |
C15 | C13 | C09 | C07 | 179.5° | 89.8° |
C15 | C13 | C17 | H171 | 179.1° | 179.7° |
C15 | C13 | C09 | H092 | 58.7° | 30.3° |
C15 | C13 | C09 | H091 | 59.6° | 150.2° |
C21 | C17 | C13 | H171 | 180.0° | 180.0° |
C21 | C17 | C13 | C09 | 178.9° | 180.0° |
C17 | C13 | C09 | C07 | 2.3° | 90.0° |
C17 | C13 | C15 | H151 | 178.8° | 180.0° |
C13 | C17 | C21 | H211 | 179.9° | 180.0° |
C17 | C13 | C09 | H092 | 123.1° | 150.0° |
C17 | C13 | C09 | H091 | 118.5° | 30.0° |
C13 | C09 | C07 | C11 | 82.0° | 65.0° |
C13 | C09 | C07 | H092 | 120.8° | 120.1° |
C13 | C09 | C07 | H091 | 120.8° | 120.0° |
C13 | C09 | C07 | C08 | 158.1° | 175.0° |
C09 | C13 | C15 | H151 | 0.6° | 0.3° |
C09 | C13 | C17 | H171 | 1.1° | 0.0° |
C13 | C09 | C07 | H071 | 36.7° | 55.0° |
C13 | C09 | H092 | H091 | 117.4° | 119.9° |
O01 | C11 | C07 | H111 | 120.2° | 120.0° |
O01 | C11 | C07 | H112 | 120.2° | 120.0° |
O01 | C11 | C07 | C09 | 162.7° | 177.2° |
O01 | C11 | C07 | C08 | 75.6° | 62.8° |
O01 | C11 | C07 | H071 | 44.1° | 57.2° |
O01 | C11 | H111 | H112 | 119.3° | 120.1° |
C11 | C07 | C09 | C08 | 119.9° | 120.0° |
C11 | C07 | C09 | H071 | 118.6° | 120.0° |
C11 | C07 | C08 | H071 | 119.8° | 120.0° |
C11 | C07 | C08 | C10 | 90.4° | 65.8° |
C11 | C07 | C08 | C12 | 147.8° | 174.1° |
C07 | C11 | O01 | H011 | 180.0° | 180.0° |
C11 | C07 | C08 | H081 | 28.9° | 54.2° |
C11 | C07 | C09 | H092 | 38.9° | 55.1° |
C11 | C07 | C09 | H091 | 157.2° | 175.0° |
C07 | C11 | H111 | H112 | 119.3° | 120.0° |
C09 | C07 | C08 | H071 | 121.7° | 120.0° |
C09 | C07 | C08 | C10 | 28.0° | 54.2° |
C09 | C07 | C08 | C12 | 93.7° | 65.8° |
C09 | C07 | C08 | H081 | 147.4° | 174.2° |
C07 | C09 | H092 | H091 | 117.5° | 120.0° |
C09 | C07 | C11 | H111 | 77.1° | 62.9° |
C09 | C07 | C11 | H112 | 42.5° | 57.1° |
C07 | C08 | C10 | C12 | 124.6° | 120.0° |
C07 | C08 | C10 | H081 | 119.3° | 120.0° |
C07 | C08 | C10 | C14 | 146.0° | 175.0° |
C07 | C08 | C12 | H081 | 118.8° | 120.0° |
C07 | C08 | C12 | O02 | 42.9° | 62.5° |
C07 | C08 | C10 | H102 | 25.4° | 55.0° |
C07 | C08 | C10 | H101 | 93.3° | 65.0° |
C08 | C07 | C09 | H092 | 81.1° | 65.0° |
C08 | C07 | C09 | H091 | 37.3° | 55.0° |
C08 | C07 | C11 | H111 | 44.7° | 57.2° |
C08 | C07 | C11 | H112 | 164.2° | 177.2° |
C07 | C08 | C12 | H121 | 163.4° | 57.5° |
C07 | C08 | C12 | H122 | 77.5° | 177.5° |
C08 | C10 | C14 | H102 | 120.6° | 120.0° |
C08 | C10 | C14 | H101 | 120.6° | 120.0° |
C08 | C10 | C14 | C18 | 48.4° | 90.0° |
C10 | C08 | C12 | H081 | 116.1° | 120.0° |
C08 | C10 | C14 | C16 | 133.4° | 90.0° |
C10 | C08 | C12 | O02 | 168.0° | 177.5° |
C08 | C10 | H102 | H101 | 118.0° | 120.0° |
C10 | C08 | C07 | H071 | 149.7° | 174.2° |
C10 | C08 | C12 | H121 | 71.5° | 62.5° |
C10 | C08 | C12 | H122 | 47.6° | 57.5° |
C10 | C14 | C18 | C16 | 178.2° | 180.0° |
C10 | C14 | C18 | C22 | 179.1° | 179.8° |
C14 | C10 | C08 | C12 | 89.3° | 65.0° |
C10 | C14 | C16 | C20 | 179.2° | 180.0° |
C14 | C10 | H102 | H101 | 118.0° | 119.9° |
C14 | C10 | C08 | H081 | 26.8° | 55.0° |
C10 | C14 | C16 | H161 | 0.8° | 0.1° |
C10 | C14 | C18 | H181 | 0.9° | 0.0° |
C14 | C18 | C22 | H181 | 180.0° | 179.8° |
C14 | C18 | C22 | C24 | 0.7° | 0.2° |
C18 | C14 | C16 | C20 | 0.9° | 0.0° |
C18 | C14 | C10 | H102 | 72.2° | 150.0° |
C18 | C14 | C10 | H101 | 169.1° | 30.0° |
C14 | C18 | C22 | H221 | 179.4° | 179.7° |
C18 | C14 | C16 | H161 | 179.1° | 180.0° |
C22 | C18 | C14 | C16 | 0.9° | 0.2° |
C18 | C22 | C24 | H221 | 180.0° | 179.9° |
C18 | C22 | C24 | C20 | 0.5° | 0.1° |
C18 | C22 | C24 | O06 | 179.2° | 180.0° |
C08 | C12 | O02 | H121 | 120.4° | 120.0° |
C08 | C12 | O02 | H122 | 120.4° | 120.0° |
C12 | C08 | C10 | H102 | 150.0° | 175.0° |
C12 | C08 | C10 | H101 | 31.3° | 55.0° |
C08 | C12 | O02 | H021 | 180.0° | 179.9° |
C12 | C08 | C07 | H071 | 27.9° | 54.2° |
C08 | C12 | H121 | H122 | 118.7° | 120.0° |
C14 | C16 | C20 | H161 | 180.0° | 179.9° |
C14 | C16 | C20 | C24 | 0.8° | 0.3° |
C14 | C16 | C20 | O04 | 179.7° | 180.0° |
C16 | C14 | C10 | H102 | 106.0° | 30.1° |
C16 | C14 | C10 | H101 | 12.7° | 150.0° |
C16 | C14 | C18 | H181 | 179.1° | 180.0° |
C22 | C24 | C20 | C16 | 0.6° | 0.3° |
C22 | C24 | C20 | O06 | 179.7° | 180.0° |
C22 | C24 | C20 | O04 | 179.5° | 180.0° |
C22 | C24 | O06 | H061 | 180.0° | 90.0° |
C24 | C22 | C18 | H181 | 179.3° | 180.0° |
C16 | C20 | C24 | O04 | 178.9° | 179.7° |
C16 | C20 | C24 | O06 | 179.2° | 179.7° |
C16 | C20 | O04 | C26 | 50.0° | 0.3° |
C24 | C20 | O04 | C26 | 131.1° | 180.0° |
C20 | C24 | C22 | H221 | 179.5° | 180.0° |
C20 | C24 | O06 | H061 | 0.3° | 90.0° |
C24 | C20 | C16 | H161 | 179.2° | 179.8° |
O06 | C24 | C20 | O04 | 0.3° | 0.0° |
O06 | C24 | C22 | H221 | 0.8° | 0.1° |
C20 | O04 | C26 | H262 | 180.0° | 59.9° |
C20 | O04 | C26 | H261 | 60.0° | 60.0° |
C20 | O04 | C26 | H263 | 60.0° | 180.0° |
O04 | C20 | C16 | H161 | 0.3° | 0.1° |
O02 | C12 | C08 | H081 | 75.8° | 57.5° |
O02 | C12 | H121 | H122 | 118.6° | 120.0° |
O04 | C26 | H262 | H261 | 120.0° | 120.0° |
O04 | C26 | H262 | H263 | 120.0° | 120.0° |
O04 | C26 | H261 | H263 | 120.0° | 120.0° |
H102 | C10 | C08 | H081 | 93.9° | 65.0° |
H101 | C10 | C08 | H081 | 147.4° | 175.0° |
H171 | C17 | C21 | H211 | 0.1° | 0.1° |
H221 | C22 | C18 | H181 | 0.7° | 0.1° |
H262 | C26 | H261 | H263 | 120.0° | 120.1° |
H011 | O01 | C11 | H111 | 59.8° | 60.1° |
H011 | O01 | C11 | H112 | 59.8° | 60.0° |
H021 | O02 | C12 | H121 | 59.5° | 60.0° |
H021 | O02 | C12 | H122 | 59.6° | 60.1° |
H071 | C07 | C08 | H081 | 90.9° | 65.8° |
H071 | C07 | C09 | H092 | 157.5° | 175.0° |
H071 | C07 | C09 | H091 | 84.2° | 65.0° |
H071 | C07 | C11 | H111 | 164.3° | 177.2° |
H071 | C07 | C11 | H112 | 76.2° | 62.8° |
H081 | C08 | C12 | H121 | 44.6° | 177.5° |
H081 | C08 | C12 | H122 | 163.7° | 62.5° |
H253 | C25 | H251 | H252 | 120.0° | 120.0° |