QX0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.36Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.42Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.43Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
| C04 | N07 | sing | 1.39Å | 1.43Å | |
| N07 | C08 | sing | 1.40Å | 1.42Å | |
| C08 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C08 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.37Å | Aromatic |
| C05 | C14 | sing | 1.47Å | 1.46Å | |
| C14 | O15 | doub | 1.21Å | 1.27Å | |
| C14 | O16 | sing | 1.35Å | 1.26Å | |
| C12 | C17 | sing | 1.43Å | 1.47Å | |
| C17 | N18 | trip | 1.14Å | 1.13Å | |
| C01 | H19 | sing | 1.08Å | 1.08Å | |
| C02 | H20 | sing | 1.08Å | 1.08Å | |
| C06 | H22 | sing | 1.08Å | 1.08Å | |
| C10 | H25 | sing | 1.08Å | 1.08Å | |
| C11 | H26 | sing | 1.08Å | 1.08Å | |
| C13 | H27 | sing | 1.08Å | 1.08Å | |
| C03 | H21 | sing | 1.08Å | 1.08Å | |
| N07 | H23 | sing | 0.97Å | 1.00Å | |
| C09 | H24 | sing | 1.08Å | 1.08Å | |
| O16 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 121.2° | 120.4° |
| C02 | C01 | C06 | 120.6° | 120.4° |
| C02 | C01 | H19 | 119.7° | 119.8° |
| C01 | C02 | H20 | 119.4° | 119.8° |
| C02 | C03 | C04 | 120.1° | 120.1° |
| C03 | C02 | H20 | 119.4° | 119.8° |
| C02 | C03 | H21 | 119.9° | 120.0° |
| C03 | C04 | C05 | 119.5° | 119.6° |
| C03 | C04 | N07 | 119.9° | 120.2° |
| C04 | C03 | H21 | 120.0° | 120.0° |
| C04 | C05 | C06 | 118.5° | 119.6° |
| C05 | C04 | N07 | 120.5° | 120.2° |
| C04 | C05 | C14 | 122.5° | 120.2° |
| C01 | C06 | C05 | 120.0° | 119.9° |
| C06 | C01 | H19 | 119.7° | 119.8° |
| C01 | C06 | H22 | 120.0° | 120.1° |
| C06 | C05 | C14 | 118.6° | 120.2° |
| C05 | C06 | H22 | 120.0° | 120.1° |
| C04 | N07 | C08 | 125.3° | 120.0° |
| C04 | N07 | H23 | 117.4° | 120.0° |
| N07 | C08 | C09 | 126.4° | 120.0° |
| N07 | C08 | C13 | 112.3° | 120.0° |
| C08 | N07 | H23 | 117.3° | 119.9° |
| C08 | C09 | C10 | 116.7° | 120.2° |
| C09 | C08 | C13 | 121.2° | 120.0° |
| C08 | C09 | H24 | 121.7° | 119.9° |
| C09 | C10 | C11 | 123.7° | 120.2° |
| C09 | C10 | H25 | 118.1° | 119.9° |
| C10 | C09 | H24 | 121.7° | 119.9° |
| C10 | C11 | C12 | 118.2° | 120.0° |
| C11 | C10 | H25 | 118.1° | 119.9° |
| C10 | C11 | H26 | 120.9° | 120.0° |
| C11 | C12 | C13 | 119.6° | 119.8° |
| C11 | C12 | C17 | 119.9° | 120.1° |
| C12 | C11 | H26 | 120.9° | 120.0° |
| C08 | C13 | C12 | 120.6° | 119.8° |
| C08 | C13 | H27 | 119.7° | 120.1° |
| C13 | C12 | C17 | 120.6° | 120.1° |
| C12 | C13 | H27 | 119.7° | 120.1° |
| C05 | C14 | O15 | 123.6° | 120.0° |
| C05 | C14 | O16 | 115.5° | 120.0° |
| O15 | C14 | O16 | 120.8° | 120.0° |
| C14 | O16 | H1 | 109.5° | 117.0° |
| C12 | C17 | N18 | 179.3° | 180.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H20 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 1.6° | 0.1° |
| C02 | C01 | C06 | H19 | 180.0° | 179.8° |
| C02 | C01 | C06 | C05 | 4.6° | 0.0° |
| C02 | C01 | C06 | H22 | 175.4° | 180.0° |
| C01 | C02 | C03 | H21 | 178.4° | 180.0° |
| C02 | C03 | C04 | H21 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.4° | 0.1° |
| C03 | C02 | C01 | C06 | 3.7° | 0.0° |
| C02 | C03 | C04 | N07 | 176.2° | 180.0° |
| C03 | C02 | C01 | H19 | 176.2° | 179.8° |
| C03 | C04 | C05 | N07 | 176.5° | 179.9° |
| C03 | C04 | C05 | C06 | 1.3° | 0.0° |
| C03 | C04 | N07 | C08 | 30.0° | 101.4° |
| C03 | C04 | C05 | C14 | 173.8° | 179.9° |
| C04 | C03 | C02 | H20 | 178.4° | 179.9° |
| C03 | C04 | N07 | H23 | 150.0° | 78.6° |
| C04 | C05 | C06 | C01 | 3.4° | 0.0° |
| C04 | C05 | C06 | C14 | 172.9° | 180.0° |
| C05 | C04 | N07 | C08 | 153.5° | 78.5° |
| C04 | C05 | C14 | O15 | 16.7° | 3.9° |
| C04 | C05 | C14 | O16 | 159.5° | 176.1° |
| C04 | C05 | C06 | H22 | 176.7° | 180.0° |
| C05 | C04 | C03 | H21 | 179.6° | 180.0° |
| C05 | C04 | N07 | H23 | 26.5° | 101.5° |
| C01 | C06 | C05 | H22 | 180.0° | 180.0° |
| C01 | C06 | C05 | C14 | 176.2° | 180.0° |
| C06 | C01 | C02 | H20 | 176.3° | 180.0° |
| C06 | C05 | C04 | N07 | 175.3° | 180.0° |
| C06 | C05 | C14 | O15 | 155.8° | 176.1° |
| C06 | C05 | C14 | O16 | 27.9° | 3.9° |
| C05 | C06 | C01 | H19 | 175.4° | 179.7° |
| C04 | N07 | C08 | H23 | 180.0° | 180.0° |
| C04 | N07 | C08 | C09 | 23.0° | 5.9° |
| C04 | N07 | C08 | C13 | 161.4° | 173.5° |
| N07 | C04 | C05 | C14 | 2.7° | 0.0° |
| N07 | C04 | C03 | H21 | 3.8° | 0.1° |
| N07 | C08 | C09 | C13 | 175.2° | 179.5° |
| N07 | C08 | C09 | C10 | 177.2° | 179.9° |
| N07 | C08 | C13 | C12 | 179.0° | 179.7° |
| N07 | C08 | C13 | H27 | 1.0° | 0.6° |
| N07 | C08 | C09 | H24 | 2.8° | 0.0° |
| C08 | C09 | C10 | H24 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.7° | 0.0° |
| C09 | C08 | C13 | C12 | 3.2° | 0.9° |
| C08 | C09 | C10 | H25 | 179.3° | 179.8° |
| C09 | C08 | C13 | H27 | 176.8° | 180.0° |
| C09 | C08 | N07 | H23 | 157.0° | 174.1° |
| C09 | C10 | C11 | H25 | 180.0° | 179.8° |
| C09 | C10 | C11 | C12 | 2.1° | 0.2° |
| C10 | C09 | C08 | C13 | 2.0° | 0.6° |
| C09 | C10 | C11 | H26 | 177.9° | 179.8° |
| C10 | C11 | C12 | H26 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.9° | 0.0° |
| C10 | C11 | C12 | C17 | 178.0° | 180.0° |
| C11 | C10 | C09 | H24 | 179.4° | 180.0° |
| C11 | C12 | C13 | C08 | 1.6° | 0.6° |
| C11 | C12 | C13 | C17 | 178.9° | 180.0° |
| C11 | C12 | C17 | N18 | 12.1° | 141.5° |
| C12 | C11 | C10 | H25 | 177.9° | 180.0° |
| C11 | C12 | C13 | H27 | 178.4° | 179.7° |
| C08 | C13 | C12 | H27 | 180.0° | 179.1° |
| C08 | C13 | C12 | C17 | 179.5° | 179.5° |
| C13 | C08 | N07 | H23 | 18.6° | 6.4° |
| C13 | C08 | C09 | H24 | 178.0° | 179.4° |
| C13 | C12 | C17 | N18 | 166.8° | 38.5° |
| C13 | C12 | C11 | H26 | 179.1° | 180.0° |
| C05 | C14 | O15 | O16 | 176.1° | 180.0° |
| C14 | C05 | C06 | H22 | 3.8° | 0.0° |
| C05 | C14 | O16 | H1 | 176.4° | 180.0° |
| O15 | C14 | O16 | H1 | 0.0° | 0.0° |
| C17 | C12 | C11 | H26 | 2.0° | 0.0° |
| C17 | C12 | C13 | H27 | 0.5° | 0.4° |
| H19 | C01 | C02 | H20 | 3.8° | 0.2° |
| H19 | C01 | C06 | H22 | 4.6° | 0.2° |
| H20 | C02 | C03 | H21 | 1.6° | 0.0° |
| H25 | C10 | C11 | H26 | 2.2° | 0.0° |
| H25 | C10 | C09 | H24 | 0.7° | 0.2° |
