Q7F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N24 | C13 | sing | 1.38Å | 1.43Å | |
| C09 | N08 | sing | 1.47Å | 1.50Å | |
| N12 | C13 | doub | 1.33Å | 1.37Å | Aromatic |
| N12 | C11 | sing | 1.32Å | 1.37Å | Aromatic |
| C13 | N14 | sing | 1.33Å | 1.35Å | Aromatic |
| N08 | C10 | sing | 1.47Å | 1.48Å | |
| N08 | C07 | sing | 1.47Å | 1.48Å | |
| C11 | C10 | sing | 1.51Å | 1.58Å | |
| C11 | N16 | doub | 1.32Å | 1.36Å | Aromatic |
| N14 | C15 | doub | 1.33Å | 1.36Å | Aromatic |
| C07 | C03 | sing | 1.51Å | 1.54Å | |
| C15 | N16 | sing | 1.33Å | 1.37Å | Aromatic |
| C15 | N17 | sing | 1.38Å | 1.41Å | |
| S04 | C03 | sing | 1.76Å | 1.70Å | Aromatic |
| S04 | C05 | sing | 1.76Å | 1.69Å | Aromatic |
| C03 | C02 | doub | 1.33Å | 1.43Å | Aromatic |
| N17 | C18 | sing | 1.40Å | 1.46Å | |
| C02 | C01 | sing | 1.51Å | 1.41Å | |
| C02 | C06 | sing | 1.38Å | 1.57Å | Aromatic |
| C05 | C06 | doub | 1.33Å | 1.47Å | Aromatic |
| C18 | C23 | doub | 1.39Å | 1.44Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.43Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.43Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.46Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.44Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| N24 | H242 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N24 | C13 | N12 | 119.0° | 120.1° |
| N24 | C13 | N14 | 118.0° | 120.1° |
| C13 | N24 | H241 | 109.5° | 120.1° |
| C13 | N24 | H242 | 109.5° | 120.0° |
| C09 | N08 | C10 | 111.4° | 110.9° |
| C09 | N08 | C07 | 110.0° | 111.0° |
| N08 | C09 | H092 | 109.5° | 109.5° |
| N08 | C09 | H091 | 109.5° | 109.4° |
| N08 | C09 | H093 | 109.5° | 109.5° |
| C13 | N12 | C11 | 118.7° | 120.1° |
| N12 | C13 | N14 | 123.0° | 119.9° |
| N12 | C11 | C10 | 124.3° | 119.9° |
| N12 | C11 | N16 | 120.6° | 120.1° |
| C13 | N14 | C15 | 115.6° | 119.8° |
| C10 | N08 | C07 | 108.5° | 111.0° |
| N08 | C10 | C11 | 106.1° | 109.5° |
| N08 | C10 | H102 | 110.3° | 109.5° |
| N08 | C10 | H101 | 110.3° | 109.5° |
| N08 | C07 | C03 | 117.4° | 109.4° |
| N08 | C07 | H072 | 107.5° | 109.5° |
| N08 | C07 | H071 | 107.5° | 109.4° |
| C10 | C11 | N16 | 114.8° | 119.9° |
| C11 | C10 | H102 | 110.3° | 109.5° |
| C11 | C10 | H101 | 110.3° | 109.5° |
| C11 | N16 | C15 | 117.5° | 120.1° |
| N14 | C15 | N16 | 124.4° | 119.9° |
| N14 | C15 | N17 | 116.2° | 120.0° |
| C07 | C03 | S04 | 125.8° | 125.2° |
| C07 | C03 | C02 | 128.4° | 125.2° |
| C03 | C07 | H072 | 107.4° | 109.5° |
| C03 | C07 | H071 | 107.5° | 109.5° |
| N16 | C15 | N17 | 119.2° | 120.1° |
| C15 | N17 | C18 | 123.5° | 120.0° |
| C15 | N17 | H171 | 118.2° | 120.0° |
| C03 | S04 | C05 | 102.5° | 91.0° |
| S04 | C03 | C02 | 105.8° | 109.6° |
| S04 | C05 | C06 | 108.0° | 109.6° |
| S04 | C05 | H051 | 126.0° | 125.2° |
| C03 | C02 | C01 | 121.0° | 122.5° |
| C03 | C02 | C06 | 115.1° | 114.9° |
| N17 | C18 | C23 | 116.7° | 120.1° |
| N17 | C18 | C19 | 119.1° | 120.1° |
| C18 | N17 | H171 | 118.3° | 120.0° |
| C01 | C02 | C06 | 123.9° | 122.6° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C06 | C05 | 108.5° | 115.0° |
| C02 | C06 | H061 | 125.7° | 122.5° |
| C06 | C05 | H051 | 126.0° | 125.3° |
| C05 | C06 | H061 | 125.7° | 122.5° |
| C23 | C18 | C19 | 123.6° | 119.9° |
| C18 | C23 | C22 | 118.7° | 119.9° |
| C18 | C23 | H231 | 120.6° | 120.1° |
| C18 | C19 | C20 | 116.0° | 120.0° |
| C18 | C19 | H191 | 122.0° | 120.0° |
| C23 | C22 | C21 | 118.0° | 120.1° |
| C23 | C22 | H221 | 121.0° | 120.0° |
| C22 | C23 | H231 | 120.6° | 120.0° |
| C19 | C20 | C21 | 120.3° | 120.1° |
| C19 | C20 | H201 | 119.8° | 120.0° |
| C20 | C19 | H191 | 122.0° | 120.1° |
| C22 | C21 | C20 | 123.1° | 120.1° |
| C22 | C21 | H211 | 118.5° | 119.9° |
| C21 | C22 | H221 | 121.0° | 120.0° |
| C21 | C20 | H201 | 119.9° | 119.9° |
| C20 | C21 | H211 | 118.5° | 119.9° |
| H102 | C10 | H101 | 109.4° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.4° | 109.4° |
| H092 | C09 | H093 | 109.5° | 109.5° |
| H091 | C09 | H093 | 109.5° | 109.5° |
| H241 | N24 | H242 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N24 | C13 | N12 | N14 | 177.7° | 180.0° |
| N24 | C13 | N12 | C11 | 179.6° | 180.0° |
| N24 | C13 | N14 | C15 | 178.0° | 180.0° |
| C13 | N24 | H241 | H242 | 120.0° | 180.0° |
| C09 | N08 | C10 | C07 | 121.2° | 123.9° |
| C09 | N08 | C10 | C11 | 156.3° | 66.0° |
| C09 | N08 | C07 | C03 | 56.4° | 66.1° |
| C09 | N08 | C10 | H102 | 36.8° | 173.9° |
| C09 | N08 | C10 | H101 | 84.2° | 54.0° |
| C09 | N08 | C07 | H072 | 64.7° | 53.9° |
| C09 | N08 | C07 | H071 | 177.6° | 173.9° |
| N08 | C09 | H092 | H091 | 120.0° | 120.0° |
| N08 | C09 | H092 | H093 | 120.0° | 120.0° |
| N08 | C09 | H091 | H093 | 120.0° | 120.0° |
| C13 | N12 | C11 | C10 | 173.1° | 180.0° |
| C13 | N12 | C11 | N16 | 0.7° | 0.0° |
| N12 | C13 | N14 | C15 | 0.2° | 0.0° |
| N12 | C13 | N24 | H241 | 0.0° | 0.0° |
| N12 | C13 | N24 | H242 | 120.0° | 180.0° |
| C11 | N12 | C13 | N14 | 1.9° | 0.0° |
| N12 | C11 | C10 | N08 | 24.5° | 90.0° |
| N12 | C11 | C10 | N16 | 174.1° | 180.0° |
| N12 | C11 | N16 | C15 | 1.9° | 0.0° |
| N12 | C11 | C10 | H102 | 95.0° | 150.0° |
| N12 | C11 | C10 | H101 | 143.9° | 30.0° |
| C13 | N14 | C15 | N16 | 2.7° | 0.0° |
| C13 | N14 | C15 | N17 | 177.7° | 179.9° |
| N14 | C13 | N24 | H241 | 177.8° | 180.0° |
| N14 | C13 | N24 | H242 | 62.2° | 0.0° |
| N08 | C10 | C11 | H102 | 119.5° | 120.0° |
| N08 | C10 | C11 | H101 | 119.5° | 120.0° |
| N08 | C10 | C11 | N16 | 161.4° | 90.0° |
| C10 | N08 | C07 | C03 | 65.7° | 170.0° |
| N08 | C10 | H102 | H101 | 121.6° | 120.0° |
| C10 | N08 | C07 | H072 | 173.2° | 70.0° |
| C10 | N08 | C07 | H071 | 55.5° | 50.1° |
| C10 | N08 | C09 | H092 | 180.0° | 60.0° |
| C10 | N08 | C09 | H091 | 60.0° | 180.0° |
| C10 | N08 | C09 | H093 | 60.0° | 60.0° |
| C07 | N08 | C10 | C11 | 82.5° | 170.0° |
| N08 | C07 | C03 | H072 | 121.1° | 120.0° |
| N08 | C07 | C03 | H071 | 121.1° | 119.9° |
| N08 | C07 | C03 | S04 | 85.5° | 90.0° |
| N08 | C07 | C03 | C02 | 93.2° | 90.0° |
| C07 | N08 | C10 | H102 | 158.0° | 50.0° |
| C07 | N08 | C10 | H101 | 37.0° | 69.9° |
| N08 | C07 | H072 | H071 | 116.4° | 120.0° |
| C07 | N08 | C09 | H092 | 59.7° | 176.1° |
| C07 | N08 | C09 | H091 | 60.3° | 56.1° |
| C07 | N08 | C09 | H093 | 179.7° | 63.9° |
| C10 | C11 | N16 | C15 | 176.3° | 180.0° |
| C11 | C10 | H102 | H101 | 121.6° | 120.0° |
| C11 | N16 | C15 | N14 | 3.8° | 0.0° |
| C11 | N16 | C15 | N17 | 178.7° | 179.9° |
| N16 | C11 | C10 | H102 | 79.1° | 30.0° |
| N16 | C11 | C10 | H101 | 41.9° | 149.9° |
| N14 | C15 | N16 | N17 | 174.8° | 180.0° |
| N14 | C15 | N17 | C18 | 163.8° | 5.5° |
| N14 | C15 | N17 | H171 | 16.2° | 174.5° |
| C07 | C03 | S04 | C02 | 179.0° | 180.0° |
| C07 | C03 | S04 | C05 | 179.3° | 179.8° |
| C07 | C03 | C02 | C01 | 2.5° | 0.0° |
| C07 | C03 | C02 | C06 | 179.9° | 179.7° |
| C03 | C07 | H072 | H071 | 116.4° | 120.1° |
| N16 | C15 | N17 | C18 | 20.9° | 174.5° |
| N16 | C15 | N17 | H171 | 159.1° | 5.5° |
| C15 | N17 | C18 | H171 | 180.0° | 180.0° |
| C15 | N17 | C18 | C23 | 147.6° | 146.9° |
| C15 | N17 | C18 | C19 | 41.2° | 33.8° |
| S04 | C03 | C02 | C01 | 176.5° | 180.0° |
| S04 | C03 | C02 | C06 | 1.1° | 0.2° |
| C03 | S04 | C05 | C06 | 1.8° | 0.1° |
| C03 | S04 | C05 | H051 | 178.2° | 179.8° |
| S04 | C03 | C07 | H072 | 35.6° | 30.0° |
| S04 | C03 | C07 | H071 | 153.4° | 150.1° |
| C05 | S04 | C03 | C02 | 1.7° | 0.2° |
| S04 | C05 | C06 | C02 | 1.2° | 0.1° |
| S04 | C05 | C06 | H051 | 180.0° | 179.9° |
| S04 | C05 | C06 | H061 | 178.8° | 179.9° |
| C03 | C02 | C01 | C06 | 177.4° | 179.7° |
| C03 | C02 | C06 | C05 | 0.0° | 0.2° |
| C03 | C02 | C01 | H013 | 88.8° | 89.8° |
| C03 | C02 | C01 | H012 | 151.2° | 30.3° |
| C03 | C02 | C01 | H011 | 31.3° | 150.3° |
| C03 | C02 | C06 | H061 | 180.0° | 179.7° |
| C02 | C03 | C07 | H072 | 145.6° | 150.0° |
| C02 | C03 | C07 | H071 | 27.9° | 29.9° |
| N17 | C18 | C23 | C19 | 170.8° | 179.3° |
| N17 | C18 | C23 | C22 | 178.5° | 180.0° |
| N17 | C18 | C19 | C20 | 177.1° | 179.8° |
| N17 | C18 | C19 | H191 | 2.9° | 0.7° |
| N17 | C18 | C23 | H231 | 1.5° | 0.7° |
| C01 | C02 | C06 | C05 | 177.6° | 179.9° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 119.9° |
| C02 | C01 | H012 | H011 | 120.0° | 119.9° |
| C01 | C02 | C06 | H061 | 2.4° | 0.0° |
| C02 | C06 | C05 | H061 | 180.0° | 179.9° |
| C06 | C02 | C01 | H013 | 88.6° | 90.0° |
| C06 | C02 | C01 | H012 | 31.4° | 150.0° |
| C06 | C02 | C01 | H011 | 151.3° | 30.0° |
| C02 | C06 | C05 | H051 | 178.8° | 179.9° |
| C18 | C23 | C22 | H231 | 180.0° | 179.3° |
| C23 | C18 | C19 | C20 | 6.5° | 0.5° |
| C18 | C23 | C22 | C21 | 5.4° | 0.5° |
| C18 | C23 | C22 | H221 | 174.5° | 179.6° |
| C23 | C18 | C19 | H191 | 173.5° | 180.0° |
| C23 | C18 | N17 | H171 | 32.4° | 33.1° |
| C19 | C18 | C23 | C22 | 7.7° | 0.7° |
| C18 | C19 | C20 | H191 | 180.0° | 179.5° |
| C18 | C19 | C20 | C21 | 3.3° | 0.0° |
| C18 | C19 | C20 | H201 | 176.7° | 179.7° |
| C19 | C18 | C23 | H231 | 172.3° | 180.0° |
| C19 | C18 | N17 | H171 | 138.8° | 146.2° |
| C23 | C22 | C21 | H221 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 2.7° | 0.1° |
| C23 | C22 | C21 | H211 | 177.3° | 180.0° |
| C19 | C20 | C21 | C22 | 1.6° | 0.2° |
| C19 | C20 | C21 | H201 | 180.0° | 179.7° |
| C19 | C20 | C21 | H211 | 178.4° | 179.8° |
| C22 | C21 | C20 | H211 | 180.0° | 180.0° |
| C22 | C21 | C20 | H201 | 178.3° | 179.9° |
| C21 | C22 | C23 | H231 | 174.5° | 179.8° |
| C20 | C21 | C22 | H221 | 177.3° | 180.0° |
| C21 | C20 | C19 | H191 | 176.7° | 179.5° |
| H201 | C20 | C21 | H211 | 1.6° | 0.0° |
| H201 | C20 | C19 | H191 | 3.4° | 0.2° |
| H211 | C21 | C22 | H221 | 2.7° | 0.0° |
| H221 | C22 | C23 | H231 | 5.5° | 0.3° |
| H013 | C01 | H012 | H011 | 120.0° | 120.1° |
| H051 | C05 | C06 | H061 | 1.2° | 0.0° |
| H092 | C09 | H091 | H093 | 120.0° | 120.0° |
