R6Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C01 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.41Å | Aromatic |
| C05 | N07 | sing | 1.40Å | 1.40Å | |
| C06 | C10 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| N07 | C08 | sing | 1.35Å | 1.39Å | |
| C10 | O09 | sing | 1.45Å | 1.45Å | |
| C10 | C15 | sing | 1.53Å | 1.54Å | |
| C12 | N13 | sing | 1.47Å | 1.49Å | |
| N13 | C16 | sing | 1.47Å | 1.48Å | |
| N13 | C14 | sing | 1.47Å | 1.48Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.51Å | 1.48Å | |
| C08 | O09 | sing | 1.35Å | 1.35Å | |
| C08 | O28 | doub | 1.22Å | 1.22Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C24 | sing | 1.51Å | 1.48Å | |
| F27 | C24 | sing | 1.40Å | 1.35Å | |
| F25 | C24 | sing | 1.40Å | 1.34Å | |
| C24 | F26 | sing | 1.40Å | 1.33Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C03 | C04 | 119.7° | 120.2° |
| C03 | C02 | C01 | 121.0° | 120.2° |
| C03 | C02 | H021 | 119.6° | 119.9° |
| C02 | C03 | H031 | 120.2° | 119.9° |
| C03 | C04 | C05 | 118.7° | 119.7° |
| C04 | C03 | H031 | 120.1° | 120.0° |
| C03 | C04 | H041 | 120.7° | 120.1° |
| C02 | C01 | C06 | 121.4° | 119.8° |
| C02 | C01 | H011 | 119.3° | 120.1° |
| C01 | C02 | H021 | 119.5° | 119.8° |
| C04 | C05 | C06 | 122.9° | 120.0° |
| C04 | C05 | N07 | 117.7° | 121.0° |
| C05 | C04 | H041 | 120.6° | 120.2° |
| C01 | C06 | C05 | 116.4° | 120.1° |
| C01 | C06 | C10 | 124.0° | 121.1° |
| C06 | C01 | H011 | 119.3° | 120.1° |
| C06 | C05 | N07 | 119.4° | 119.0° |
| C05 | C06 | C10 | 119.6° | 118.9° |
| C05 | N07 | C08 | 119.5° | 119.6° |
| C05 | N07 | H071 | 120.3° | 120.2° |
| C06 | C10 | C11 | 112.8° | 109.6° |
| C06 | C10 | O09 | 112.3° | 108.9° |
| C06 | C10 | C15 | 112.9° | 109.6° |
| C10 | C11 | C12 | 116.7° | 109.3° |
| C11 | C10 | O09 | 98.9° | 109.6° |
| C11 | C10 | C15 | 116.1° | 109.4° |
| C10 | C11 | H112 | 107.6° | 109.5° |
| C10 | C11 | H111 | 107.7° | 109.5° |
| C11 | C12 | N13 | 112.3° | 109.5° |
| C11 | C12 | H121 | 108.8° | 109.5° |
| C11 | C12 | H122 | 108.7° | 109.5° |
| C12 | C11 | H112 | 107.7° | 109.5° |
| C12 | C11 | H111 | 107.7° | 109.5° |
| N07 | C08 | O09 | 118.9° | 120.8° |
| N07 | C08 | O28 | 124.2° | 119.6° |
| C08 | N07 | H071 | 120.2° | 120.2° |
| O09 | C10 | C15 | 102.4° | 109.7° |
| C10 | O09 | C08 | 124.3° | 117.3° |
| C10 | C15 | C14 | 118.5° | 109.3° |
| C10 | C15 | H152 | 107.2° | 109.6° |
| C10 | C15 | H151 | 107.2° | 109.5° |
| C12 | N13 | C16 | 111.1° | 111.0° |
| C12 | N13 | C14 | 110.6° | 111.1° |
| N13 | C12 | H121 | 108.8° | 109.4° |
| N13 | C12 | H122 | 108.8° | 109.4° |
| C16 | N13 | C14 | 109.5° | 111.0° |
| N13 | C16 | C17 | 106.1° | 109.4° |
| N13 | C16 | H162 | 110.3° | 109.5° |
| N13 | C16 | H161 | 110.3° | 109.5° |
| N13 | C14 | C15 | 113.2° | 109.5° |
| N13 | C14 | H142 | 108.5° | 109.4° |
| N13 | C14 | H141 | 108.5° | 109.5° |
| C16 | C17 | C18 | 107.7° | 109.5° |
| C17 | C16 | H162 | 110.3° | 109.5° |
| C17 | C16 | H161 | 110.3° | 109.5° |
| C16 | C17 | H172 | 109.9° | 109.5° |
| C16 | C17 | H171 | 109.9° | 109.5° |
| C17 | C18 | C19 | 118.6° | 120.0° |
| C17 | C18 | C23 | 120.5° | 120.0° |
| C18 | C17 | H172 | 109.9° | 109.4° |
| C18 | C17 | H171 | 109.9° | 109.5° |
| O09 | C08 | O28 | 117.0° | 119.6° |
| C15 | C14 | H142 | 108.5° | 109.5° |
| C15 | C14 | H141 | 108.5° | 109.5° |
| C14 | C15 | H152 | 107.2° | 109.5° |
| C14 | C15 | H151 | 107.2° | 109.5° |
| C18 | C19 | C20 | 120.1° | 120.0° |
| C19 | C18 | C23 | 120.8° | 120.0° |
| C18 | C19 | H191 | 119.9° | 120.0° |
| C19 | C20 | C21 | 118.7° | 120.0° |
| C20 | C19 | H191 | 120.0° | 120.0° |
| C19 | C20 | H201 | 120.6° | 120.0° |
| C18 | C23 | C22 | 119.4° | 120.0° |
| C18 | C23 | H231 | 120.3° | 120.0° |
| C20 | C21 | C22 | 122.0° | 120.0° |
| C20 | C21 | C24 | 119.7° | 120.0° |
| C21 | C20 | H201 | 120.6° | 120.0° |
| C23 | C22 | C21 | 119.0° | 120.0° |
| C23 | C22 | H221 | 120.5° | 120.0° |
| C22 | C23 | H231 | 120.3° | 120.0° |
| C22 | C21 | C24 | 118.3° | 120.0° |
| C21 | C22 | H221 | 120.5° | 120.0° |
| C21 | C24 | F27 | 113.4° | 109.4° |
| C21 | C24 | F25 | 113.3° | 109.5° |
| C21 | C24 | F26 | 112.8° | 109.4° |
| F27 | C24 | F25 | 103.9° | 109.5° |
| F27 | C24 | F26 | 106.1° | 109.5° |
| F25 | C24 | F26 | 106.4° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.4° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.4° |
| H152 | C15 | H151 | 109.4° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C03 | C02 | C01 | H021 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C03 | C02 | C01 | C06 | 0.1° | 0.0° |
| C03 | C02 | C01 | H011 | 179.9° | 179.9° |
| C02 | C03 | C04 | H041 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 0.0° | 0.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C03 | C04 | C05 | N07 | 179.7° | 179.8° |
| C04 | C03 | C02 | H021 | 180.0° | 179.9° |
| C02 | C01 | C06 | H011 | 180.0° | 179.9° |
| C02 | C01 | C06 | C05 | 0.2° | 0.0° |
| C02 | C01 | C06 | C10 | 179.6° | 180.0° |
| C01 | C02 | C03 | H031 | 180.0° | 180.0° |
| C04 | C05 | C06 | C01 | 0.2° | 0.1° |
| C04 | C05 | C06 | N07 | 179.6° | 179.9° |
| C04 | C05 | C06 | C10 | 179.6° | 180.0° |
| C04 | C05 | N07 | C08 | 158.2° | 164.5° |
| C05 | C04 | C03 | H031 | 180.0° | 179.9° |
| C04 | C05 | N07 | H071 | 21.8° | 15.6° |
| C01 | C06 | C05 | C10 | 179.7° | 180.0° |
| C01 | C06 | C05 | N07 | 179.8° | 179.8° |
| C01 | C06 | C10 | C11 | 84.2° | 88.7° |
| C01 | C06 | C10 | O09 | 165.1° | 151.4° |
| C01 | C06 | C10 | C15 | 49.9° | 31.4° |
| C06 | C01 | C02 | H021 | 179.9° | 180.0° |
| C05 | C06 | C10 | C11 | 96.1° | 91.4° |
| C06 | C05 | N07 | C08 | 21.4° | 15.4° |
| C05 | C06 | C10 | O09 | 14.6° | 28.5° |
| C05 | C06 | C10 | C15 | 129.9° | 148.5° |
| C05 | C06 | C01 | H011 | 179.8° | 180.0° |
| C06 | C05 | C04 | H041 | 179.9° | 180.0° |
| C06 | C05 | N07 | H071 | 158.6° | 164.5° |
| N07 | C05 | C06 | C10 | 0.0° | 0.2° |
| C05 | N07 | C08 | H071 | 180.0° | 179.9° |
| C05 | N07 | C08 | O09 | 26.9° | 1.4° |
| C05 | N07 | C08 | O28 | 152.5° | 178.6° |
| N07 | C05 | C04 | H041 | 0.3° | 0.1° |
| C06 | C10 | C11 | O09 | 118.9° | 119.5° |
| C06 | C10 | C11 | C15 | 132.5° | 120.3° |
| C06 | C10 | C11 | C12 | 152.0° | 177.7° |
| C06 | C10 | O09 | C15 | 121.4° | 120.0° |
| C06 | C10 | O09 | C08 | 9.7° | 45.4° |
| C06 | C10 | C15 | C14 | 148.8° | 177.6° |
| C10 | C06 | C01 | H011 | 0.5° | 0.0° |
| C06 | C10 | C11 | H112 | 86.9° | 57.7° |
| C06 | C10 | C11 | H111 | 31.0° | 62.4° |
| C06 | C10 | C15 | H152 | 27.5° | 57.7° |
| C06 | C10 | C15 | H151 | 89.9° | 62.5° |
| C10 | C11 | C12 | H112 | 121.1° | 120.0° |
| C10 | C11 | C12 | H111 | 121.1° | 119.9° |
| C11 | C10 | O09 | C15 | 119.3° | 120.1° |
| C10 | C11 | C12 | N13 | 42.0° | 59.1° |
| C11 | C10 | O09 | C08 | 109.5° | 74.5° |
| C11 | C10 | C15 | C14 | 16.3° | 57.4° |
| C10 | C11 | C12 | H121 | 78.4° | 60.9° |
| C10 | C11 | C12 | H122 | 162.5° | 179.1° |
| C10 | C11 | H112 | H111 | 116.7° | 120.1° |
| C11 | C10 | C15 | H152 | 105.0° | 62.6° |
| C11 | C10 | C15 | H151 | 137.6° | 177.3° |
| C12 | C11 | C10 | O09 | 89.1° | 62.8° |
| C12 | C11 | C10 | C15 | 19.5° | 57.4° |
| C11 | C12 | N13 | H121 | 120.4° | 120.0° |
| C11 | C12 | N13 | H122 | 120.4° | 120.0° |
| C11 | C12 | N13 | C16 | 176.7° | 174.0° |
| C11 | C12 | N13 | C14 | 61.4° | 61.9° |
| C11 | C12 | H121 | H122 | 118.7° | 120.1° |
| C12 | C11 | H112 | H111 | 116.7° | 120.1° |
| N07 | C08 | O09 | C10 | 10.4° | 34.1° |
| N07 | C08 | O09 | O28 | 179.5° | 180.0° |
| C10 | O09 | C08 | O28 | 169.0° | 146.0° |
| O09 | C10 | C15 | C14 | 90.2° | 62.9° |
| O09 | C10 | C11 | H112 | 31.9° | 177.2° |
| O09 | C10 | C11 | H111 | 149.8° | 57.1° |
| O09 | C10 | C15 | H152 | 148.5° | 177.2° |
| O09 | C10 | C15 | H151 | 31.1° | 57.1° |
| C10 | C15 | C14 | N13 | 35.6° | 59.0° |
| C15 | C10 | O09 | C08 | 131.1° | 165.4° |
| C10 | C15 | C14 | H152 | 121.3° | 120.0° |
| C10 | C15 | C14 | H151 | 121.3° | 120.0° |
| C15 | C10 | C11 | H112 | 140.6° | 62.6° |
| C15 | C10 | C11 | H111 | 101.6° | 177.4° |
| C10 | C15 | C14 | H142 | 84.9° | 179.0° |
| C10 | C15 | C14 | H141 | 156.2° | 61.1° |
| C10 | C15 | H152 | H151 | 115.9° | 120.1° |
| C12 | N13 | C16 | C14 | 122.5° | 124.1° |
| C12 | N13 | C16 | C17 | 133.3° | 170.0° |
| C12 | N13 | C14 | C15 | 57.9° | 61.8° |
| N13 | C12 | H121 | H122 | 118.7° | 119.9° |
| N13 | C12 | C11 | H112 | 163.1° | 60.9° |
| N13 | C12 | C11 | H111 | 79.0° | 179.0° |
| C12 | N13 | C14 | H142 | 62.7° | 178.2° |
| C12 | N13 | C14 | H141 | 178.5° | 58.2° |
| C12 | N13 | C16 | H162 | 107.2° | 50.0° |
| C12 | N13 | C16 | H161 | 13.8° | 70.0° |
| N13 | C16 | C17 | H162 | 119.5° | 120.0° |
| N13 | C16 | C17 | H161 | 119.5° | 120.0° |
| N13 | C16 | C17 | C18 | 152.6° | 180.0° |
| C16 | N13 | C14 | C15 | 179.3° | 174.1° |
| C16 | N13 | C12 | H121 | 62.9° | 65.9° |
| C16 | N13 | C12 | H122 | 56.3° | 54.0° |
| C16 | N13 | C14 | H142 | 60.1° | 54.1° |
| C16 | N13 | C14 | H141 | 58.7° | 65.8° |
| N13 | C16 | H162 | H161 | 121.6° | 120.0° |
| N13 | C16 | C17 | H172 | 87.7° | 60.0° |
| N13 | C16 | C17 | H171 | 32.8° | 60.0° |
| C14 | N13 | C16 | C17 | 104.2° | 65.8° |
| N13 | C14 | C15 | H142 | 120.5° | 120.0° |
| N13 | C14 | C15 | H141 | 120.6° | 120.1° |
| C14 | N13 | C12 | H121 | 59.0° | 58.1° |
| C14 | N13 | C12 | H122 | 178.2° | 178.1° |
| N13 | C14 | H142 | H141 | 118.3° | 120.0° |
| N13 | C14 | C15 | H152 | 85.7° | 61.0° |
| N13 | C14 | C15 | H151 | 156.9° | 179.0° |
| C14 | N13 | C16 | H162 | 15.3° | 174.2° |
| C14 | N13 | C16 | H161 | 136.4° | 54.1° |
| C16 | C17 | C18 | H172 | 119.7° | 120.0° |
| C16 | C17 | C18 | H171 | 119.7° | 120.0° |
| C16 | C17 | C18 | C19 | 94.8° | 89.7° |
| C16 | C17 | C18 | C23 | 85.8° | 90.0° |
| C17 | C16 | H162 | H161 | 121.6° | 120.0° |
| C16 | C17 | H172 | H171 | 120.8° | 120.0° |
| C17 | C18 | C19 | C23 | 179.4° | 179.6° |
| C17 | C18 | C19 | C20 | 179.6° | 180.0° |
| C17 | C18 | C23 | C22 | 179.7° | 179.8° |
| C18 | C17 | C16 | H162 | 33.1° | 60.0° |
| C18 | C17 | C16 | H161 | 88.0° | 60.0° |
| C18 | C17 | H172 | H171 | 120.8° | 120.0° |
| C17 | C18 | C19 | H191 | 0.4° | 0.1° |
| C17 | C18 | C23 | H231 | 0.3° | 0.0° |
| O09 | C08 | N07 | H071 | 153.1° | 178.6° |
| O28 | C08 | N07 | H071 | 27.5° | 1.3° |
| C15 | C14 | H142 | H141 | 118.3° | 120.0° |
| C14 | C15 | H152 | H151 | 115.9° | 120.0° |
| C18 | C19 | C20 | H191 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.2° | 0.1° |
| C19 | C18 | C23 | C22 | 0.3° | 0.5° |
| C19 | C18 | C17 | H172 | 24.9° | 150.3° |
| C19 | C18 | C17 | H171 | 145.4° | 30.3° |
| C18 | C19 | C20 | H201 | 179.8° | 179.9° |
| C19 | C18 | C23 | H231 | 179.7° | 179.7° |
| C20 | C19 | C18 | C23 | 0.2° | 0.3° |
| C19 | C20 | C21 | H201 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.2° | 0.0° |
| C19 | C20 | C21 | C24 | 179.9° | 180.0° |
| C18 | C23 | C22 | H231 | 180.0° | 179.8° |
| C18 | C23 | C22 | C21 | 0.3° | 0.5° |
| C23 | C18 | C17 | H172 | 154.5° | 30.0° |
| C23 | C18 | C17 | H171 | 34.0° | 150.0° |
| C23 | C18 | C19 | H191 | 179.8° | 179.8° |
| C18 | C23 | C22 | H221 | 179.7° | 179.8° |
| C20 | C21 | C22 | C23 | 0.2° | 0.2° |
| C20 | C21 | C22 | C24 | 180.0° | 179.9° |
| C20 | C21 | C24 | F27 | 6.8° | 150.0° |
| C20 | C21 | C24 | F25 | 111.4° | 30.0° |
| C20 | C21 | C24 | F26 | 127.5° | 90.0° |
| C21 | C20 | C19 | H191 | 179.8° | 180.0° |
| C20 | C21 | C22 | H221 | 179.8° | 180.0° |
| C23 | C22 | C21 | H221 | 180.0° | 179.8° |
| C23 | C22 | C21 | C24 | 179.8° | 179.9° |
| C22 | C21 | C24 | F27 | 173.2° | 29.9° |
| C22 | C21 | C24 | F25 | 68.6° | 149.9° |
| C22 | C21 | C24 | F26 | 52.5° | 90.0° |
| C22 | C21 | C20 | H201 | 179.8° | 180.0° |
| C21 | C22 | C23 | H231 | 179.7° | 179.7° |
| C21 | C24 | F27 | F25 | 123.6° | 120.0° |
| C21 | C24 | F27 | F26 | 124.4° | 119.9° |
| C21 | C24 | F25 | F26 | 124.6° | 120.0° |
| C24 | C21 | C20 | H201 | 0.1° | 0.0° |
| C24 | C21 | C22 | H221 | 0.2° | 0.1° |
| F27 | C24 | F25 | F26 | 111.8° | 120.0° |
| H121 | C12 | C11 | H112 | 42.7° | 179.1° |
| H121 | C12 | C11 | H111 | 160.6° | 59.0° |
| H122 | C12 | C11 | H112 | 76.5° | 59.1° |
| H122 | C12 | C11 | H111 | 41.4° | 61.0° |
| H011 | C01 | C02 | H021 | 0.1° | 0.1° |
| H021 | C02 | C03 | H031 | 0.0° | 0.0° |
| H031 | C03 | C04 | H041 | 0.0° | 0.0° |
| H142 | C14 | C15 | H152 | 153.8° | 59.0° |
| H142 | C14 | C15 | H151 | 36.4° | 61.1° |
| H141 | C14 | C15 | H152 | 34.9° | 178.9° |
| H141 | C14 | C15 | H151 | 82.5° | 58.9° |
| H162 | C16 | C17 | H172 | 152.8° | 60.0° |
| H162 | C16 | C17 | H171 | 86.6° | 180.0° |
| H161 | C16 | C17 | H172 | 31.8° | 180.0° |
| H161 | C16 | C17 | H171 | 152.3° | 60.0° |
| H191 | C19 | C20 | H201 | 0.2° | 0.0° |
| H221 | C22 | C23 | H231 | 0.3° | 0.1° |
