Q8N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N15 | C13 | sing | 1.38Å | 1.33Å | |
| N12 | C13 | doub | 1.33Å | 1.40Å | Aromatic |
| N12 | C11 | sing | 1.32Å | 1.35Å | Aromatic |
| C13 | N14 | sing | 1.33Å | 1.34Å | Aromatic |
| N14 | C09 | doub | 1.33Å | 1.33Å | Aromatic |
| C11 | C16 | sing | 1.51Å | 1.52Å | |
| C11 | N10 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | S17 | sing | 1.81Å | 2.14Å | |
| S17 | C18 | sing | 1.76Å | 1.74Å | |
| C09 | N10 | sing | 1.33Å | 1.35Å | Aromatic |
| C09 | N08 | sing | 1.38Å | 1.36Å | |
| N19 | C18 | doub | 1.31Å | 1.34Å | Aromatic |
| N19 | C20 | sing | 1.34Å | 1.40Å | Aromatic |
| C18 | N22 | sing | 1.36Å | 1.41Å | Aromatic |
| N08 | C04 | sing | 1.40Å | 1.42Å | |
| C20 | C21 | doub | 1.34Å | 1.39Å | Aromatic |
| N22 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| N22 | C23 | sing | 1.47Å | 1.45Å | |
| C04 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.46Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.42Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.50Å | |
| C02 | C07 | doub | 1.38Å | 1.35Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N15 | H152 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N15 | C13 | N12 | 114.4° | 120.1° |
| N15 | C13 | N14 | 118.8° | 120.0° |
| C13 | N15 | H151 | 109.5° | 120.0° |
| C13 | N15 | H152 | 109.5° | 120.0° |
| C13 | N12 | C11 | 111.5° | 120.1° |
| N12 | C13 | N14 | 126.8° | 119.9° |
| N12 | C11 | C16 | 111.6° | 119.9° |
| N12 | C11 | N10 | 127.3° | 120.2° |
| C13 | N14 | C09 | 113.5° | 119.9° |
| N14 | C09 | N10 | 127.2° | 119.9° |
| N14 | C09 | N08 | 115.9° | 120.1° |
| C16 | C11 | N10 | 120.7° | 119.9° |
| C11 | C16 | S17 | 110.2° | 109.4° |
| C11 | C16 | H161 | 109.3° | 109.5° |
| C11 | C16 | H162 | 109.3° | 109.4° |
| C11 | N10 | C09 | 113.7° | 120.1° |
| C16 | S17 | C18 | 108.1° | 100.0° |
| S17 | C16 | H161 | 109.3° | 109.5° |
| S17 | C16 | H162 | 109.3° | 109.5° |
| S17 | C18 | N19 | 130.2° | 125.8° |
| S17 | C18 | N22 | 117.8° | 125.8° |
| N10 | C09 | N08 | 116.9° | 120.1° |
| C09 | N08 | C04 | 128.6° | 120.0° |
| C09 | N08 | H081 | 115.7° | 120.0° |
| C18 | N19 | C20 | 105.5° | 109.3° |
| N19 | C18 | N22 | 111.3° | 108.4° |
| N19 | C20 | C21 | 111.9° | 108.3° |
| N19 | C20 | H201 | 124.1° | 125.9° |
| C18 | N22 | C21 | 106.5° | 107.0° |
| C18 | N22 | C23 | 130.9° | 126.5° |
| N08 | C04 | C03 | 122.6° | 120.1° |
| N08 | C04 | C05 | 117.8° | 120.0° |
| C04 | N08 | H081 | 115.7° | 120.0° |
| C20 | C21 | N22 | 104.7° | 106.9° |
| C21 | C20 | H201 | 124.1° | 125.8° |
| C20 | C21 | H211 | 127.6° | 126.6° |
| C21 | N22 | C23 | 122.3° | 126.5° |
| N22 | C21 | H211 | 127.7° | 126.5° |
| N22 | C23 | H233 | 109.5° | 109.5° |
| N22 | C23 | H232 | 109.5° | 109.4° |
| N22 | C23 | H231 | 109.5° | 109.4° |
| C03 | C04 | C05 | 119.6° | 119.8° |
| C04 | C03 | C02 | 120.1° | 120.0° |
| C04 | C03 | H031 | 119.9° | 120.0° |
| C04 | C05 | C06 | 117.2° | 119.9° |
| C04 | C05 | H051 | 121.4° | 120.0° |
| C03 | C02 | C01 | 118.5° | 120.0° |
| C03 | C02 | C07 | 119.6° | 120.0° |
| C02 | C03 | H031 | 120.0° | 120.0° |
| C05 | C06 | C07 | 121.7° | 120.1° |
| C06 | C05 | H051 | 121.4° | 120.1° |
| C05 | C06 | H061 | 119.2° | 119.9° |
| C01 | C02 | C07 | 121.8° | 120.0° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C07 | C06 | 121.8° | 120.1° |
| C02 | C07 | H071 | 119.1° | 119.9° |
| C07 | C06 | H061 | 119.2° | 120.0° |
| C06 | C07 | H071 | 119.1° | 120.0° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H233 | C23 | H232 | 109.4° | 109.5° |
| H233 | C23 | H231 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.5° |
| H151 | N15 | H152 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N15 | C13 | N12 | N14 | 178.5° | 180.0° |
| N15 | C13 | N12 | C11 | 179.4° | 180.0° |
| N15 | C13 | N14 | C09 | 178.2° | 180.0° |
| C13 | N15 | H151 | H152 | 120.0° | 180.0° |
| N12 | C13 | N14 | C09 | 0.2° | 0.1° |
| C13 | N12 | C11 | C16 | 173.5° | 180.0° |
| C13 | N12 | C11 | N10 | 1.4° | 0.0° |
| N12 | C13 | N15 | H151 | 0.0° | 0.0° |
| N12 | C13 | N15 | H152 | 120.0° | 180.0° |
| C11 | N12 | C13 | N14 | 0.9° | 0.0° |
| N12 | C11 | C16 | N10 | 172.6° | 180.0° |
| N12 | C11 | C16 | S17 | 71.0° | 90.0° |
| N12 | C11 | N10 | C09 | 0.7° | 0.0° |
| N12 | C11 | C16 | H161 | 168.9° | 150.0° |
| N12 | C11 | C16 | H162 | 49.1° | 29.9° |
| C13 | N14 | C09 | N10 | 1.0° | 0.1° |
| C13 | N14 | C09 | N08 | 179.7° | 180.0° |
| N14 | C13 | N15 | H151 | 178.6° | 180.0° |
| N14 | C13 | N15 | H152 | 61.4° | 0.0° |
| N14 | C09 | N10 | C11 | 0.6° | 0.0° |
| N14 | C09 | N10 | N08 | 178.6° | 180.0° |
| N14 | C09 | N08 | C04 | 171.1° | 5.6° |
| N14 | C09 | N08 | H081 | 8.9° | 174.3° |
| C11 | C16 | S17 | H161 | 120.1° | 120.0° |
| C11 | C16 | S17 | H162 | 120.1° | 119.9° |
| C11 | C16 | S17 | C18 | 146.8° | 180.0° |
| C16 | C11 | N10 | C09 | 172.1° | 180.0° |
| C11 | C16 | H161 | H162 | 119.7° | 120.0° |
| N10 | C11 | C16 | S17 | 101.7° | 90.0° |
| C11 | N10 | C09 | N08 | 179.3° | 180.0° |
| N10 | C11 | C16 | H161 | 18.4° | 30.0° |
| N10 | C11 | C16 | H162 | 138.2° | 150.0° |
| C16 | S17 | C18 | N19 | 112.9° | 0.4° |
| C16 | S17 | C18 | N22 | 77.5° | 180.0° |
| S17 | C16 | H161 | H162 | 119.6° | 120.1° |
| S17 | C18 | N19 | N22 | 170.2° | 179.6° |
| S17 | C18 | N19 | C20 | 172.5° | 179.9° |
| S17 | C18 | N22 | C21 | 175.2° | 179.9° |
| S17 | C18 | N22 | C23 | 10.7° | 0.3° |
| C18 | S17 | C16 | H161 | 26.6° | 60.0° |
| C18 | S17 | C16 | H162 | 93.1° | 60.1° |
| N10 | C09 | N08 | C04 | 10.1° | 174.4° |
| N10 | C09 | N08 | H081 | 169.9° | 5.6° |
| C09 | N08 | C04 | H081 | 180.0° | 180.0° |
| C09 | N08 | C04 | C03 | 134.5° | 142.4° |
| C09 | N08 | C04 | C05 | 46.9° | 37.6° |
| C18 | N19 | C20 | C21 | 0.1° | 0.0° |
| N19 | C18 | N22 | C21 | 3.7° | 0.4° |
| N19 | C18 | N22 | C23 | 177.8° | 179.9° |
| C18 | N19 | C20 | H201 | 179.9° | 179.8° |
| C20 | N19 | C18 | N22 | 2.3° | 0.3° |
| N19 | C20 | C21 | H201 | 180.0° | 179.8° |
| N19 | C20 | C21 | N22 | 2.1° | 0.3° |
| N19 | C20 | C21 | H211 | 177.9° | 179.8° |
| C18 | N22 | C21 | C20 | 3.4° | 0.4° |
| C18 | N22 | C21 | C23 | 174.7° | 179.6° |
| C18 | N22 | C21 | H211 | 176.6° | 179.6° |
| C18 | N22 | C23 | H233 | 180.0° | 90.0° |
| C18 | N22 | C23 | H232 | 60.0° | 150.0° |
| C18 | N22 | C23 | H231 | 60.0° | 30.0° |
| N08 | C04 | C03 | C05 | 178.6° | 180.0° |
| N08 | C04 | C03 | C02 | 179.0° | 180.0° |
| N08 | C04 | C05 | C06 | 179.4° | 180.0° |
| N08 | C04 | C03 | H031 | 1.0° | 0.0° |
| N08 | C04 | C05 | H051 | 0.6° | 0.0° |
| C20 | C21 | N22 | H211 | 180.0° | 180.0° |
| C20 | C21 | N22 | C23 | 178.1° | 180.0° |
| N22 | C21 | C20 | H201 | 177.9° | 179.9° |
| C21 | N22 | C23 | H233 | 6.7° | 90.4° |
| C21 | N22 | C23 | H232 | 126.7° | 29.5° |
| C21 | N22 | C23 | H231 | 113.3° | 149.5° |
| C23 | N22 | C21 | H211 | 1.9° | 0.0° |
| N22 | C23 | H233 | H232 | 120.0° | 120.0° |
| N22 | C23 | H233 | H231 | 120.0° | 120.0° |
| N22 | C23 | H232 | H231 | 120.0° | 119.9° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.7° | 0.0° |
| C04 | C03 | C02 | C01 | 178.0° | 180.0° |
| C04 | C03 | C02 | C07 | 1.1° | 0.3° |
| C03 | C04 | C05 | H051 | 179.3° | 180.0° |
| C03 | C04 | N08 | H081 | 45.5° | 37.5° |
| C05 | C04 | C03 | C02 | 0.4° | 0.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.5° | 0.2° |
| C05 | C04 | C03 | H031 | 179.6° | 180.0° |
| C04 | C05 | C06 | H061 | 179.4° | 180.0° |
| C05 | C04 | N08 | H081 | 133.1° | 142.5° |
| C03 | C02 | C01 | C07 | 176.8° | 179.7° |
| C03 | C02 | C07 | C06 | 2.3° | 0.6° |
| C03 | C02 | C01 | H012 | 88.5° | 89.7° |
| C03 | C02 | C01 | H013 | 151.5° | 30.3° |
| C03 | C02 | C01 | H011 | 31.5° | 150.3° |
| C03 | C02 | C07 | H071 | 177.7° | 179.7° |
| C05 | C06 | C07 | C02 | 2.1° | 0.5° |
| C05 | C06 | C07 | H061 | 180.0° | 179.8° |
| C05 | C06 | C07 | H071 | 177.9° | 179.7° |
| C01 | C02 | C07 | C06 | 179.1° | 179.7° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 2.0° | 0.0° |
| C01 | C02 | C07 | H071 | 0.9° | 0.0° |
| C02 | C07 | C06 | H071 | 180.0° | 179.7° |
| C07 | C02 | C01 | H012 | 88.3° | 90.0° |
| C07 | C02 | C01 | H013 | 31.7° | 150.0° |
| C07 | C02 | C01 | H011 | 151.7° | 30.0° |
| C07 | C02 | C03 | H031 | 178.9° | 179.7° |
| C02 | C07 | C06 | H061 | 177.9° | 179.7° |
| C07 | C06 | C05 | H051 | 179.5° | 179.7° |
| H201 | C20 | C21 | H211 | 2.1° | 0.0° |
| H012 | C01 | H013 | H011 | 120.0° | 120.1° |
| H051 | C05 | C06 | H061 | 0.5° | 0.1° |
| H061 | C06 | C07 | H071 | 2.1° | 0.1° |
| H233 | C23 | H232 | H231 | 120.0° | 120.1° |
