C8Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.36Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.36Å | 1.37Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | C22 | doub | 1.40Å | 1.42Å | Aromatic |
| C17 | C22 | sing | 1.42Å | 1.42Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.42Å | Aromatic |
| C22 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.36Å | 1.38Å | Aromatic |
| O25 | C24 | doub | 1.22Å | 1.23Å | |
| C23 | C24 | sing | 1.39Å | 1.46Å | |
| C23 | C11 | doub | 1.38Å | 1.37Å | |
| C13 | C12 | sing | 1.51Å | 1.48Å | |
| C13 | C14 | doub | 1.36Å | 1.39Å | Aromatic |
| C24 | N26 | sing | 1.37Å | 1.41Å | |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | C08 | sing | 1.39Å | 1.43Å | |
| N26 | C04 | sing | 1.46Å | 1.47Å | |
| N26 | C07 | sing | 1.36Å | 1.40Å | |
| C04 | C02 | sing | 1.51Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.51Å | |
| C08 | C07 | doub | 1.39Å | 1.38Å | |
| C08 | O09 | sing | 1.36Å | 1.37Å | |
| C07 | S06 | sing | 1.77Å | 1.74Å | |
| C02 | O03 | doub | 1.21Å | 1.24Å | |
| C02 | O01 | sing | 1.34Å | 1.25Å | |
| C05 | S06 | sing | 1.82Å | 1.81Å | |
| O09 | C10 | sing | 1.43Å | 1.47Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C18 | 119.6° | 121.0° |
| C19 | C20 | C21 | 121.1° | 121.0° |
| C20 | C19 | H191 | 120.2° | 119.5° |
| C19 | C20 | H201 | 119.5° | 119.5° |
| C19 | C18 | C17 | 120.8° | 119.6° |
| C19 | C18 | H181 | 119.6° | 120.2° |
| C18 | C19 | H191 | 120.2° | 119.5° |
| C20 | C21 | C22 | 121.3° | 119.6° |
| C21 | C20 | H201 | 119.4° | 119.5° |
| C20 | C21 | H211 | 119.4° | 120.2° |
| C18 | C17 | C22 | 120.7° | 119.4° |
| C18 | C17 | C16 | 120.0° | 121.3° |
| C17 | C18 | H181 | 119.6° | 120.2° |
| C21 | C22 | C17 | 116.6° | 119.4° |
| C21 | C22 | C13 | 123.0° | 121.3° |
| C22 | C21 | H211 | 119.3° | 120.2° |
| C22 | C17 | C16 | 119.3° | 119.3° |
| C17 | C22 | C13 | 120.5° | 119.3° |
| C17 | C16 | C15 | 119.9° | 119.7° |
| C17 | C16 | H161 | 120.0° | 120.1° |
| C22 | C13 | C12 | 123.0° | 120.2° |
| C22 | C13 | C14 | 118.8° | 119.7° |
| C16 | C15 | C14 | 120.3° | 121.0° |
| C16 | C15 | H151 | 119.9° | 119.5° |
| C15 | C16 | H161 | 120.1° | 120.2° |
| O25 | C24 | C23 | 123.5° | 119.1° |
| O25 | C24 | N26 | 120.9° | 119.1° |
| C24 | C23 | C11 | 125.5° | 119.7° |
| C23 | C24 | N26 | 115.6° | 121.8° |
| C24 | C23 | H231 | 117.3° | 120.1° |
| C23 | C11 | C12 | 122.6° | 120.8° |
| C23 | C11 | C08 | 115.4° | 118.4° |
| C11 | C23 | H231 | 117.2° | 120.2° |
| C12 | C13 | C14 | 118.2° | 120.2° |
| C13 | C12 | C11 | 115.7° | 109.5° |
| C13 | C12 | H122 | 107.9° | 109.4° |
| C13 | C12 | H121 | 107.9° | 109.5° |
| C13 | C14 | C15 | 121.2° | 121.0° |
| C13 | C14 | H141 | 119.4° | 119.5° |
| C24 | N26 | C04 | 125.2° | 124.8° |
| C24 | N26 | C07 | 120.1° | 118.6° |
| C15 | C14 | H141 | 119.4° | 119.5° |
| C14 | C15 | H151 | 119.8° | 119.5° |
| C12 | C11 | C08 | 121.9° | 120.8° |
| C11 | C12 | H122 | 107.9° | 109.5° |
| C11 | C12 | H121 | 107.9° | 109.5° |
| C11 | C08 | C07 | 121.5° | 120.3° |
| C11 | C08 | O09 | 117.1° | 119.9° |
| C04 | N26 | C07 | 114.1° | 116.7° |
| N26 | C04 | C02 | 112.2° | 108.8° |
| N26 | C04 | C05 | 107.0° | 112.8° |
| N26 | C04 | H041 | 109.3° | 108.8° |
| N26 | C07 | C08 | 121.9° | 121.3° |
| N26 | C07 | S06 | 111.9° | 110.1° |
| C02 | C04 | C05 | 110.8° | 108.8° |
| C04 | C02 | O03 | 121.2° | 120.0° |
| C04 | C02 | O01 | 113.2° | 120.0° |
| C02 | C04 | H041 | 108.6° | 108.8° |
| C04 | C05 | S06 | 107.0° | 104.2° |
| C05 | C04 | H041 | 108.8° | 108.7° |
| C04 | C05 | H052 | 110.1° | 110.5° |
| C04 | C05 | H051 | 110.1° | 110.5° |
| C07 | C08 | O09 | 121.4° | 119.9° |
| C08 | C07 | S06 | 126.2° | 128.6° |
| C08 | O09 | C10 | 118.1° | 117.0° |
| C07 | S06 | C05 | 92.1° | 96.2° |
| O03 | C02 | O01 | 125.6° | 120.0° |
| C02 | O01 | H1 | 109.5° | 116.9° |
| S06 | C05 | H052 | 110.1° | 110.5° |
| S06 | C05 | H051 | 110.1° | 110.5° |
| O09 | C10 | H103 | 109.5° | 109.5° |
| O09 | C10 | H102 | 109.5° | 109.5° |
| O09 | C10 | H101 | 109.5° | 109.4° |
| H052 | C05 | H051 | 109.5° | 110.6° |
| H103 | C10 | H102 | 109.4° | 109.5° |
| H103 | C10 | H101 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C18 | H191 | 180.0° | 179.9° |
| C19 | C20 | C21 | H201 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.1° | 0.0° |
| C19 | C20 | C21 | C22 | 0.4° | 0.0° |
| C20 | C19 | C18 | H181 | 179.8° | 179.9° |
| C19 | C20 | C21 | H211 | 179.6° | 180.0° |
| C18 | C19 | C20 | C21 | 0.0° | 0.0° |
| C19 | C18 | C17 | H181 | 180.0° | 180.0° |
| C19 | C18 | C17 | C22 | 0.1° | 0.0° |
| C19 | C18 | C17 | C16 | 179.8° | 179.5° |
| C18 | C19 | C20 | H201 | 180.0° | 179.9° |
| C20 | C21 | C22 | H211 | 180.0° | 179.9° |
| C20 | C21 | C22 | C17 | 0.6° | 0.1° |
| C20 | C21 | C22 | C13 | 179.6° | 180.0° |
| C21 | C20 | C19 | H191 | 179.9° | 180.0° |
| C18 | C17 | C22 | C21 | 0.4° | 0.1° |
| C18 | C17 | C22 | C16 | 179.8° | 179.5° |
| C18 | C17 | C22 | C13 | 179.4° | 180.0° |
| C18 | C17 | C16 | C15 | 179.6° | 179.7° |
| C18 | C17 | C16 | H161 | 0.4° | 0.3° |
| C17 | C18 | C19 | H191 | 179.9° | 180.0° |
| C21 | C22 | C17 | C13 | 179.0° | 179.9° |
| C21 | C22 | C17 | C16 | 179.8° | 179.5° |
| C21 | C22 | C13 | C12 | 1.2° | 0.2° |
| C21 | C22 | C13 | C14 | 179.9° | 179.6° |
| C22 | C21 | C20 | H201 | 179.6° | 180.0° |
| C22 | C17 | C16 | C15 | 0.1° | 0.3° |
| C17 | C22 | C13 | C12 | 179.9° | 179.7° |
| C17 | C22 | C13 | C14 | 1.1° | 0.5° |
| C22 | C17 | C16 | H161 | 179.9° | 179.7° |
| C22 | C17 | C18 | H181 | 180.0° | 180.0° |
| C17 | C22 | C21 | H211 | 179.4° | 180.0° |
| C16 | C17 | C22 | C13 | 0.8° | 0.5° |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.7° | 0.0° |
| C17 | C16 | C15 | H151 | 179.3° | 180.0° |
| C16 | C17 | C18 | H181 | 0.2° | 0.5° |
| C22 | C13 | C12 | C14 | 178.7° | 179.7° |
| C22 | C13 | C14 | C15 | 0.6° | 0.2° |
| C22 | C13 | C12 | C11 | 83.1° | 86.9° |
| C22 | C13 | C12 | H122 | 156.0° | 153.1° |
| C22 | C13 | C12 | H121 | 37.8° | 33.1° |
| C22 | C13 | C14 | H141 | 179.4° | 179.7° |
| C13 | C22 | C21 | H211 | 0.4° | 0.0° |
| C16 | C15 | C14 | C13 | 0.4° | 0.0° |
| C16 | C15 | C14 | H151 | 180.0° | 179.9° |
| C16 | C15 | C14 | H141 | 179.6° | 180.0° |
| O25 | C24 | C23 | N26 | 179.9° | 179.9° |
| O25 | C24 | C23 | C11 | 179.9° | 180.0° |
| O25 | C24 | N26 | C04 | 9.4° | 0.1° |
| O25 | C24 | N26 | C07 | 179.7° | 179.7° |
| O25 | C24 | C23 | H231 | 0.1° | 0.0° |
| C24 | C23 | C11 | H231 | 180.0° | 180.0° |
| C24 | C23 | C11 | C12 | 179.3° | 179.7° |
| C24 | C23 | C11 | C08 | 0.4° | 0.0° |
| C23 | C24 | N26 | C04 | 170.7° | 180.0° |
| C23 | C24 | N26 | C07 | 0.4° | 0.4° |
| C23 | C11 | C12 | C13 | 103.0° | 95.4° |
| C11 | C23 | C24 | N26 | 0.2° | 0.1° |
| C23 | C11 | C12 | C08 | 178.8° | 179.7° |
| C23 | C11 | C08 | C07 | 0.9° | 0.3° |
| C23 | C11 | C08 | O09 | 179.9° | 179.7° |
| C23 | C11 | C12 | H122 | 136.1° | 144.7° |
| C23 | C11 | C12 | H121 | 17.9° | 24.7° |
| C12 | C13 | C14 | C15 | 179.3° | 180.0° |
| C13 | C12 | C11 | H122 | 120.9° | 119.9° |
| C13 | C12 | C11 | H121 | 120.9° | 120.0° |
| C13 | C12 | C11 | C08 | 78.2° | 84.9° |
| C13 | C12 | H122 | H121 | 117.2° | 120.0° |
| C12 | C13 | C14 | H141 | 0.6° | 0.0° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 98.2° | 93.4° |
| C14 | C13 | C12 | H122 | 22.8° | 26.6° |
| C14 | C13 | C12 | H121 | 140.9° | 146.6° |
| C13 | C14 | C15 | H151 | 179.6° | 180.0° |
| C24 | N26 | C04 | C07 | 170.8° | 179.6° |
| C24 | N26 | C04 | C02 | 73.7° | 59.1° |
| C24 | N26 | C04 | C05 | 164.5° | 179.9° |
| C24 | N26 | C07 | C08 | 0.1° | 0.7° |
| C24 | N26 | C07 | S06 | 179.8° | 179.9° |
| C24 | N26 | C04 | H041 | 46.8° | 59.4° |
| N26 | C24 | C23 | H231 | 179.8° | 179.9° |
| C14 | C15 | C16 | H161 | 179.3° | 180.0° |
| C12 | C11 | C08 | C07 | 179.8° | 180.0° |
| C12 | C11 | C08 | O09 | 1.2° | 0.0° |
| C11 | C12 | H122 | H121 | 117.1° | 120.0° |
| C12 | C11 | C23 | H231 | 0.7° | 0.3° |
| C11 | C08 | C07 | N26 | 0.7° | 0.6° |
| C11 | C08 | C07 | O09 | 179.0° | 180.0° |
| C11 | C08 | C07 | S06 | 179.5° | 179.7° |
| C11 | C08 | O09 | C10 | 118.3° | 180.0° |
| C08 | C11 | C12 | H122 | 42.8° | 35.0° |
| C08 | C11 | C12 | H121 | 160.9° | 155.1° |
| C08 | C11 | C23 | H231 | 179.6° | 180.0° |
| N26 | C04 | C02 | C05 | 119.6° | 123.3° |
| N26 | C04 | C02 | H041 | 120.9° | 118.4° |
| N26 | C04 | C05 | H041 | 118.0° | 120.8° |
| C04 | N26 | C07 | C08 | 171.3° | 179.7° |
| C04 | N26 | C07 | S06 | 8.5° | 0.5° |
| N26 | C04 | C02 | O03 | 153.2° | 4.8° |
| N26 | C04 | C02 | O01 | 27.9° | 175.2° |
| N26 | C04 | C05 | S06 | 28.9° | 0.0° |
| N26 | C04 | C05 | H052 | 148.5° | 118.7° |
| N26 | C04 | C05 | H051 | 90.7° | 118.6° |
| C07 | N26 | C04 | C02 | 97.1° | 120.6° |
| C07 | N26 | C04 | C05 | 24.7° | 0.3° |
| N26 | C07 | C08 | S06 | 179.7° | 179.1° |
| N26 | C07 | C08 | O09 | 179.7° | 179.4° |
| N26 | C07 | S06 | C05 | 8.2° | 0.4° |
| C07 | N26 | C04 | H041 | 142.4° | 121.0° |
| C02 | C04 | C05 | H041 | 119.3° | 118.3° |
| C04 | C02 | O03 | O01 | 178.8° | 180.0° |
| C02 | C04 | C05 | S06 | 93.8° | 120.9° |
| C04 | C02 | O01 | H1 | 178.8° | 180.0° |
| C02 | C04 | C05 | H052 | 25.8° | 2.2° |
| C02 | C04 | C05 | H051 | 146.6° | 120.5° |
| C04 | C05 | S06 | C07 | 21.7° | 0.2° |
| C05 | C04 | C02 | O03 | 87.2° | 118.5° |
| C05 | C04 | C02 | O01 | 91.7° | 61.5° |
| C04 | C05 | S06 | H052 | 119.6° | 118.7° |
| C04 | C05 | S06 | H051 | 119.6° | 118.7° |
| C04 | C05 | H052 | H051 | 121.1° | 122.6° |
| C08 | C07 | S06 | C05 | 172.0° | 179.5° |
| C07 | C08 | O09 | C10 | 62.6° | 0.0° |
| O09 | C08 | C07 | S06 | 0.5° | 0.3° |
| C08 | O09 | C10 | H103 | 180.0° | 60.0° |
| C08 | O09 | C10 | H102 | 60.0° | 180.0° |
| C08 | O09 | C10 | H101 | 60.0° | 60.0° |
| C07 | S06 | C05 | H052 | 141.3° | 118.5° |
| C07 | S06 | C05 | H051 | 97.9° | 118.9° |
| O03 | C02 | O01 | H1 | 0.0° | 0.1° |
| O03 | C02 | C04 | H041 | 32.3° | 123.2° |
| O01 | C02 | C04 | H041 | 148.8° | 56.8° |
| S06 | C05 | C04 | H041 | 146.9° | 120.8° |
| S06 | C05 | H052 | H051 | 121.2° | 122.6° |
| O09 | C10 | H103 | H102 | 120.0° | 120.0° |
| O09 | C10 | H103 | H101 | 120.0° | 120.0° |
| O09 | C10 | H102 | H101 | 120.0° | 120.0° |
| H041 | C04 | C05 | H052 | 93.5° | 120.6° |
| H041 | C04 | C05 | H051 | 27.3° | 2.1° |
| H103 | C10 | H102 | H101 | 120.0° | 120.0° |
| H141 | C14 | C15 | H151 | 0.4° | 0.1° |
| H151 | C15 | C16 | H161 | 0.7° | 0.0° |
| H181 | C18 | C19 | H191 | 0.2° | 0.0° |
| H191 | C19 | C20 | H201 | 0.0° | 0.0° |
| H201 | C20 | C21 | H211 | 0.4° | 0.0° |
