1Q7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C04 | sing | 1.51Å | 1.52Å | |
| C04 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | O09 | sing | 1.43Å | 1.44Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C02 | N02 | sing | 1.39Å | 1.36Å | |
| C02 | N01 | doub | 1.32Å | 1.36Å | Aromatic |
| C06 | N01 | sing | 1.32Å | 1.35Å | Aromatic |
| C06 | C08 | sing | 1.51Å | 1.52Å | |
| O09 | C08 | sing | 1.43Å | 1.42Å | |
| O14 | C11 | sing | 1.43Å | 1.42Å | |
| O14 | C15 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | N13 | sing | 1.47Å | 1.44Å | |
| C15 | C26 | sing | 1.51Å | 1.50Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | N21 | sing | 1.32Å | 1.37Å | Aromatic |
| C27 | C24 | sing | 1.51Å | 1.50Å | |
| C24 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| N21 | C22 | doub | 1.32Å | 1.35Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | N22 | sing | 1.39Å | 1.36Å | |
| N22 | H1 | sing | 0.97Å | 1.00Å | |
| N22 | H2 | sing | 0.97Å | 1.00Å | |
| C23 | H3 | sing | 1.08Å | 1.08Å | |
| C27 | H4 | sing | 1.09Å | 1.10Å | |
| C27 | H5 | sing | 1.09Å | 1.10Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| N13 | H13 | sing | 1.01Å | 1.00Å | |
| N13 | H14 | sing | 1.01Å | 1.00Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| N02 | H20 | sing | 0.97Å | 1.00Å | |
| N02 | H21 | sing | 0.97Å | 1.00Å | |
| C03 | H22 | sing | 1.08Å | 1.08Å | |
| C05 | H23 | sing | 1.08Å | 1.08Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C07 | H25 | sing | 1.09Å | 1.10Å | |
| C07 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C04 | C03 | 123.4° | 120.7° |
| C07 | C04 | C05 | 117.4° | 120.7° |
| C04 | C07 | H24 | 109.5° | 109.5° |
| C04 | C07 | H25 | 109.5° | 109.5° |
| C04 | C07 | H26 | 109.5° | 109.5° |
| C03 | C04 | C05 | 119.2° | 118.6° |
| C04 | C03 | C02 | 119.1° | 119.1° |
| C04 | C03 | H22 | 120.5° | 120.5° |
| C04 | C05 | C06 | 120.2° | 119.3° |
| C04 | C05 | H23 | 119.9° | 120.3° |
| C03 | C02 | N02 | 121.8° | 119.7° |
| C03 | C02 | N01 | 120.0° | 120.6° |
| C02 | C03 | H22 | 120.4° | 120.5° |
| C05 | C06 | N01 | 119.7° | 120.9° |
| C05 | C06 | C08 | 118.2° | 119.5° |
| C06 | C05 | H23 | 119.9° | 120.4° |
| O09 | C10 | C11 | 112.6° | 109.5° |
| C10 | O09 | C08 | 114.6° | 114.0° |
| O09 | C10 | H16 | 108.7° | 109.5° |
| O09 | C10 | H17 | 108.7° | 109.5° |
| C10 | C11 | O14 | 109.3° | 109.5° |
| C10 | C11 | C12 | 109.8° | 109.5° |
| C10 | C11 | H10 | 109.5° | 109.5° |
| C11 | C10 | H16 | 108.7° | 109.5° |
| C11 | C10 | H17 | 108.7° | 109.5° |
| N02 | C02 | N01 | 118.2° | 119.7° |
| C02 | N02 | H20 | 109.5° | 120.0° |
| C02 | N02 | H21 | 109.5° | 120.0° |
| C02 | N01 | C06 | 121.8° | 121.6° |
| N01 | C06 | C08 | 122.1° | 119.6° |
| C06 | C08 | O09 | 109.5° | 109.5° |
| C06 | C08 | H18 | 109.5° | 109.4° |
| C06 | C08 | H19 | 109.5° | 109.4° |
| O09 | C08 | H18 | 109.5° | 109.5° |
| O09 | C08 | H19 | 109.5° | 109.5° |
| C11 | O14 | C15 | 113.1° | 114.0° |
| O14 | C11 | C12 | 107.6° | 109.5° |
| O14 | C11 | H10 | 111.1° | 109.5° |
| O14 | C15 | C26 | 103.3° | 109.4° |
| O14 | C15 | H8 | 111.0° | 109.5° |
| O14 | C15 | H9 | 111.0° | 109.5° |
| C11 | C12 | N13 | 108.1° | 109.5° |
| C12 | C11 | H10 | 109.6° | 109.4° |
| C11 | C12 | H11 | 109.8° | 109.5° |
| C11 | C12 | H12 | 109.8° | 109.5° |
| N13 | C12 | H11 | 109.8° | 109.4° |
| N13 | C12 | H12 | 109.8° | 109.5° |
| C12 | N13 | H13 | 109.5° | 111.0° |
| C12 | N13 | H14 | 109.4° | 110.9° |
| C15 | C26 | C25 | 121.0° | 119.6° |
| C15 | C26 | N21 | 117.3° | 119.5° |
| C26 | C15 | H8 | 111.0° | 109.4° |
| C26 | C15 | H9 | 111.0° | 109.5° |
| C26 | C25 | C24 | 117.5° | 119.4° |
| C25 | C26 | N21 | 121.7° | 120.9° |
| C26 | C25 | H7 | 121.2° | 120.3° |
| C25 | C24 | C27 | 119.6° | 120.8° |
| C25 | C24 | C23 | 120.2° | 118.5° |
| C24 | C25 | H7 | 121.2° | 120.3° |
| C26 | N21 | C22 | 121.6° | 121.6° |
| C27 | C24 | C23 | 120.2° | 120.7° |
| C24 | C27 | H4 | 109.5° | 109.5° |
| C24 | C27 | H5 | 109.5° | 109.5° |
| C24 | C27 | H6 | 109.5° | 109.5° |
| C24 | C23 | C22 | 119.8° | 119.1° |
| C24 | C23 | H3 | 120.1° | 120.4° |
| N21 | C22 | C23 | 119.2° | 120.6° |
| N21 | C22 | N22 | 118.6° | 119.7° |
| C23 | C22 | N22 | 122.3° | 119.7° |
| C22 | C23 | H3 | 120.1° | 120.5° |
| C22 | N22 | H1 | 109.5° | 120.0° |
| C22 | N22 | H2 | 109.5° | 120.0° |
| H1 | N22 | H2 | 109.5° | 120.0° |
| H4 | C27 | H5 | 109.5° | 109.5° |
| H4 | C27 | H6 | 109.5° | 109.5° |
| H5 | C27 | H6 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.4° |
| H13 | N13 | H14 | 109.5° | 111.0° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H18 | C08 | H19 | 109.5° | 109.5° |
| H20 | N02 | H21 | 109.5° | 120.0° |
| H24 | C07 | H25 | 109.4° | 109.4° |
| H24 | C07 | H26 | 109.5° | 109.4° |
| H25 | C07 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C04 | C03 | C05 | 179.5° | 179.8° |
| C07 | C04 | C03 | C02 | 179.3° | 180.0° |
| C07 | C04 | C05 | C06 | 180.0° | 179.7° |
| C07 | C04 | C03 | H22 | 0.7° | 0.1° |
| C07 | C04 | C05 | H23 | 0.0° | 0.2° |
| C04 | C07 | H24 | H25 | 120.0° | 120.0° |
| C04 | C07 | H24 | H26 | 120.0° | 120.0° |
| C04 | C07 | H25 | H26 | 120.0° | 120.1° |
| C04 | C03 | C02 | H22 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.4° | 0.4° |
| C04 | C03 | C02 | N02 | 179.8° | 180.0° |
| C04 | C03 | C02 | N01 | 2.4° | 0.0° |
| C03 | C04 | C05 | H23 | 179.6° | 180.0° |
| C03 | C04 | C07 | H24 | 89.7° | 90.1° |
| C03 | C04 | C07 | H25 | 150.3° | 150.0° |
| C03 | C04 | C07 | H26 | 30.3° | 29.9° |
| C05 | C04 | C03 | C02 | 1.1° | 0.2° |
| C04 | C05 | C06 | H23 | 180.0° | 179.6° |
| C04 | C05 | C06 | N01 | 0.9° | 0.5° |
| C04 | C05 | C06 | C08 | 179.5° | 179.8° |
| C05 | C04 | C03 | H22 | 178.8° | 179.8° |
| C05 | C04 | C07 | H24 | 89.8° | 89.8° |
| C05 | C04 | C07 | H25 | 30.2° | 30.2° |
| C05 | C04 | C07 | H26 | 150.2° | 150.2° |
| C03 | C02 | N02 | N01 | 177.9° | 180.0° |
| C03 | C02 | N01 | C06 | 3.0° | 0.0° |
| C03 | C02 | N02 | H20 | 177.8° | 180.0° |
| C03 | C02 | N02 | H21 | 57.9° | 0.0° |
| C05 | C06 | N01 | C02 | 2.2° | 0.3° |
| C05 | C06 | N01 | C08 | 179.6° | 179.8° |
| C05 | C06 | C08 | O09 | 91.1° | 0.2° |
| C05 | C06 | C08 | H18 | 148.9° | 120.3° |
| C05 | C06 | C08 | H19 | 28.9° | 119.7° |
| O09 | C10 | C11 | H16 | 120.5° | 120.0° |
| O09 | C10 | C11 | H17 | 120.5° | 120.0° |
| C10 | O09 | C08 | C06 | 130.0° | 180.0° |
| O09 | C10 | C11 | O14 | 124.8° | 65.0° |
| O09 | C10 | C11 | C12 | 117.4° | 55.0° |
| O09 | C10 | C11 | H10 | 3.0° | 174.9° |
| O09 | C10 | H16 | H17 | 118.6° | 120.0° |
| C10 | O09 | C08 | H18 | 109.9° | 60.0° |
| C10 | O09 | C08 | H19 | 10.1° | 60.0° |
| C11 | C10 | O09 | C08 | 68.3° | 180.0° |
| C10 | C11 | O14 | C12 | 119.2° | 120.0° |
| C10 | C11 | O14 | H10 | 120.9° | 120.0° |
| C10 | C11 | O14 | C15 | 107.7° | 88.1° |
| C10 | C11 | C12 | H10 | 120.2° | 120.0° |
| C10 | C11 | C12 | N13 | 162.9° | 174.6° |
| C10 | C11 | C12 | H11 | 43.1° | 54.6° |
| C10 | C11 | C12 | H12 | 77.3° | 65.3° |
| C11 | C10 | H16 | H17 | 118.6° | 120.0° |
| N02 | C02 | N01 | C06 | 179.1° | 180.0° |
| C02 | N02 | H20 | H21 | 120.0° | 180.0° |
| N02 | C02 | C03 | H22 | 0.3° | 0.1° |
| C02 | N01 | C06 | C08 | 178.2° | 180.0° |
| N01 | C02 | N02 | H20 | 0.0° | 0.0° |
| N01 | C02 | N02 | H21 | 120.0° | 180.0° |
| N01 | C02 | C03 | H22 | 177.6° | 180.0° |
| N01 | C06 | C08 | O09 | 88.5° | 180.0° |
| N01 | C06 | C08 | H18 | 31.5° | 60.0° |
| N01 | C06 | C08 | H19 | 151.5° | 60.0° |
| N01 | C06 | C05 | H23 | 179.1° | 180.0° |
| C06 | C08 | O09 | H18 | 120.0° | 120.0° |
| C06 | C08 | O09 | H19 | 120.0° | 120.0° |
| C06 | C08 | H18 | H19 | 120.0° | 120.0° |
| C08 | C06 | C05 | H23 | 0.5° | 0.2° |
| C08 | O09 | C10 | H16 | 52.1° | 60.0° |
| C08 | O09 | C10 | H17 | 171.2° | 60.0° |
| O09 | C08 | H18 | H19 | 120.0° | 120.0° |
| O14 | C11 | C12 | H10 | 120.9° | 120.0° |
| O14 | C11 | C12 | N13 | 78.2° | 65.4° |
| C11 | O14 | C15 | C26 | 124.9° | 175.6° |
| C11 | O14 | C15 | H8 | 116.1° | 55.7° |
| C11 | O14 | C15 | H9 | 5.9° | 64.4° |
| O14 | C11 | C12 | H11 | 162.0° | 174.6° |
| O14 | C11 | C12 | H12 | 41.6° | 54.7° |
| O14 | C11 | C10 | H16 | 114.7° | 175.0° |
| O14 | C11 | C10 | H17 | 4.3° | 55.0° |
| C15 | O14 | C11 | C12 | 133.1° | 151.9° |
| O14 | C15 | C26 | H8 | 119.0° | 120.0° |
| O14 | C15 | C26 | H9 | 119.0° | 120.0° |
| O14 | C15 | C26 | C25 | 117.9° | 0.0° |
| O14 | C15 | C26 | N21 | 60.5° | 179.7° |
| O14 | C15 | H8 | H9 | 122.9° | 120.1° |
| C15 | O14 | C11 | H10 | 13.1° | 31.9° |
| C11 | C12 | N13 | H11 | 119.8° | 120.0° |
| C11 | C12 | N13 | H12 | 119.8° | 120.1° |
| C11 | C12 | H11 | H12 | 120.7° | 120.0° |
| C11 | C12 | N13 | H13 | 180.0° | 174.4° |
| C11 | C12 | N13 | H14 | 60.0° | 61.7° |
| C12 | C11 | C10 | H16 | 3.1° | 65.0° |
| C12 | C11 | C10 | H17 | 122.2° | 175.0° |
| N13 | C12 | C11 | H10 | 42.7° | 54.6° |
| N13 | C12 | H11 | H12 | 120.6° | 120.0° |
| C12 | N13 | H13 | H14 | 120.0° | 123.9° |
| C15 | C26 | C25 | N21 | 178.3° | 179.7° |
| C15 | C26 | C25 | C24 | 179.4° | 180.0° |
| C15 | C26 | N21 | C22 | 179.4° | 179.7° |
| C15 | C26 | C25 | H7 | 0.7° | 0.3° |
| C26 | C15 | H8 | H9 | 122.9° | 120.0° |
| C26 | C25 | C24 | H7 | 180.0° | 179.8° |
| C26 | C25 | C24 | C27 | 179.4° | 180.0° |
| C26 | C25 | C24 | C23 | 0.5° | 0.0° |
| C25 | C26 | N21 | C22 | 1.0° | 0.6° |
| C25 | C26 | C15 | H8 | 1.2° | 120.0° |
| C25 | C26 | C15 | H9 | 123.1° | 120.0° |
| C24 | C25 | C26 | N21 | 1.1° | 0.3° |
| C25 | C24 | C27 | C23 | 179.9° | 180.0° |
| C25 | C24 | C23 | C22 | 0.1° | 0.0° |
| C25 | C24 | C23 | H3 | 179.9° | 180.0° |
| C25 | C24 | C27 | H4 | 89.9° | 90.0° |
| C25 | C24 | C27 | H5 | 150.0° | 30.0° |
| C25 | C24 | C27 | H6 | 30.0° | 150.0° |
| C26 | N21 | C22 | C23 | 0.4° | 0.6° |
| C26 | N21 | C22 | N22 | 179.4° | 179.7° |
| N21 | C26 | C25 | H7 | 179.0° | 179.9° |
| N21 | C26 | C15 | H8 | 179.5° | 59.7° |
| N21 | C26 | C15 | H9 | 58.5° | 60.3° |
| C27 | C24 | C23 | C22 | 180.0° | 180.0° |
| C27 | C24 | C23 | H3 | 0.0° | 0.0° |
| C24 | C27 | H4 | H5 | 120.0° | 120.0° |
| C24 | C27 | H4 | H6 | 120.0° | 120.0° |
| C24 | C27 | H5 | H6 | 120.0° | 120.0° |
| C27 | C24 | C25 | H7 | 0.6° | 0.3° |
| C24 | C23 | C22 | N21 | 0.2° | 0.3° |
| C24 | C23 | C22 | H3 | 180.0° | 180.0° |
| C24 | C23 | C22 | N22 | 179.9° | 180.0° |
| C23 | C24 | C27 | H4 | 90.0° | 90.0° |
| C23 | C24 | C27 | H5 | 30.1° | 150.0° |
| C23 | C24 | C27 | H6 | 150.1° | 30.0° |
| C23 | C24 | C25 | H7 | 179.5° | 179.7° |
| N21 | C22 | C23 | N22 | 179.7° | 179.7° |
| N21 | C22 | N22 | H1 | 0.0° | 179.7° |
| N21 | C22 | N22 | H2 | 120.0° | 0.5° |
| N21 | C22 | C23 | H3 | 179.8° | 179.7° |
| C23 | C22 | N22 | H1 | 179.7° | 0.0° |
| C23 | C22 | N22 | H2 | 60.3° | 179.7° |
| C22 | N22 | H1 | H2 | 120.0° | 179.7° |
| N22 | C22 | C23 | H3 | 0.1° | 0.0° |
| H4 | C27 | H5 | H6 | 120.0° | 120.0° |
| H10 | C11 | C12 | H11 | 77.1° | 65.3° |
| H10 | C11 | C12 | H12 | 162.5° | 174.7° |
| H10 | C11 | C10 | H16 | 123.4° | 54.9° |
| H10 | C11 | C10 | H17 | 117.5° | 65.1° |
| H11 | C12 | N13 | H13 | 60.2° | 54.4° |
| H11 | C12 | N13 | H14 | 179.8° | 178.3° |
| H12 | C12 | N13 | H13 | 60.2° | 65.6° |
| H12 | C12 | N13 | H14 | 59.8° | 58.3° |
| H24 | C07 | H25 | H26 | 120.0° | 120.0° |
