GQ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C12 | N07 | sing | 1.46Å | 1.46Å | |
| C13 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| N11 | C02 | sing | 1.39Å | 1.44Å | |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| N03 | C02 | doub | 1.32Å | 1.34Å | Aromatic |
| N03 | C04 | sing | 1.33Å | 1.36Å | Aromatic |
| N07 | C04 | sing | 1.37Å | 1.36Å | Aromatic |
| N07 | C08 | sing | 1.36Å | 1.33Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | N01 | sing | 1.33Å | 1.33Å | Aromatic |
| C16 | C19 | sing | 1.51Å | 1.54Å | |
| C04 | C05 | doub | 1.41Å | 1.37Å | Aromatic |
| C08 | N09 | doub | 1.30Å | 1.33Å | Aromatic |
| N01 | C06 | doub | 1.32Å | 1.31Å | Aromatic |
| C05 | N09 | sing | 1.36Å | 1.37Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.42Å | Aromatic |
| C06 | CL1 | sing | 1.74Å | 1.77Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C08 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| N11 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | N07 | 104.8° | 109.5° |
| C12 | C13 | C18 | 120.0° | 120.0° |
| C12 | C13 | C14 | 121.5° | 120.0° |
| C13 | C12 | H4 | 110.6° | 109.5° |
| C13 | C12 | H5 | 110.6° | 109.5° |
| C12 | N07 | C04 | 125.8° | 126.3° |
| C12 | N07 | C08 | 125.6° | 126.3° |
| N07 | C12 | H4 | 110.6° | 109.5° |
| N07 | C12 | H5 | 110.6° | 109.4° |
| C18 | C13 | C14 | 118.4° | 120.0° |
| C13 | C18 | C17 | 120.9° | 120.0° |
| C13 | C18 | H7 | 119.5° | 120.0° |
| C13 | C14 | C15 | 120.7° | 120.0° |
| C13 | C14 | H6 | 119.6° | 120.0° |
| N11 | C02 | N03 | 120.1° | 118.9° |
| N11 | C02 | N01 | 117.3° | 118.9° |
| C02 | N11 | H11 | 109.5° | 120.0° |
| C02 | N11 | H12 | 109.5° | 120.0° |
| C18 | C17 | C16 | 120.4° | 120.0° |
| C18 | C17 | H2 | 119.8° | 120.0° |
| C17 | C18 | H7 | 119.6° | 120.0° |
| C14 | C15 | C16 | 120.3° | 120.0° |
| C14 | C15 | H1 | 119.8° | 120.0° |
| C15 | C14 | H6 | 119.7° | 120.0° |
| C02 | N03 | C04 | 118.6° | 120.4° |
| N03 | C02 | N01 | 122.5° | 122.2° |
| N03 | C04 | N07 | 133.0° | 134.9° |
| N03 | C04 | C05 | 120.3° | 119.1° |
| C04 | N07 | C08 | 108.4° | 107.4° |
| N07 | C04 | C05 | 106.7° | 106.0° |
| N07 | C08 | N09 | 109.9° | 110.0° |
| N07 | C08 | H3 | 125.1° | 124.9° |
| C17 | C16 | C15 | 119.3° | 120.0° |
| C17 | C16 | C19 | 120.8° | 120.0° |
| C16 | C17 | H2 | 119.8° | 120.0° |
| C15 | C16 | C19 | 119.9° | 120.0° |
| C16 | C15 | H1 | 119.9° | 120.0° |
| C02 | N01 | C06 | 121.3° | 121.2° |
| C16 | C19 | H8 | 109.5° | 109.5° |
| C16 | C19 | H9 | 109.5° | 109.5° |
| C16 | C19 | H10 | 109.5° | 109.5° |
| C04 | C05 | N09 | 107.6° | 107.0° |
| C04 | C05 | C06 | 118.1° | 118.4° |
| C08 | N09 | C05 | 107.4° | 109.5° |
| N09 | C08 | H3 | 125.1° | 125.0° |
| N01 | C06 | C05 | 119.1° | 118.7° |
| N01 | C06 | CL1 | 119.4° | 120.7° |
| N09 | C05 | C06 | 134.3° | 134.6° |
| C05 | C06 | CL1 | 121.5° | 120.7° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H8 | C19 | H9 | 109.5° | 109.4° |
| H8 | C19 | H10 | 109.5° | 109.5° |
| H9 | C19 | H10 | 109.5° | 109.5° |
| H11 | N11 | H12 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | N07 | H4 | 119.3° | 120.0° |
| C13 | C12 | N07 | H5 | 119.3° | 120.0° |
| C12 | C13 | C18 | C14 | 178.0° | 179.8° |
| C12 | C13 | C18 | C17 | 179.1° | 179.7° |
| C12 | C13 | C14 | C15 | 178.9° | 179.7° |
| C13 | C12 | N07 | C04 | 96.0° | 85.0° |
| C13 | C12 | N07 | C08 | 79.6° | 95.0° |
| C13 | C12 | H4 | H5 | 122.2° | 120.0° |
| C12 | C13 | C14 | H6 | 1.1° | 0.2° |
| C12 | C13 | C18 | H7 | 0.9° | 0.2° |
| N07 | C12 | C13 | C18 | 105.7° | 90.0° |
| N07 | C12 | C13 | C14 | 72.3° | 89.8° |
| C12 | N07 | C04 | N03 | 4.0° | 0.0° |
| C12 | N07 | C04 | C08 | 176.2° | 180.0° |
| C12 | N07 | C04 | C05 | 177.5° | 180.0° |
| C12 | N07 | C08 | N09 | 177.0° | 180.0° |
| C12 | N07 | C08 | H3 | 3.1° | 0.0° |
| N07 | C12 | H4 | H5 | 122.2° | 119.9° |
| C13 | C18 | C17 | H7 | 180.0° | 179.9° |
| C18 | C13 | C14 | C15 | 0.9° | 0.1° |
| C13 | C18 | C17 | C16 | 0.1° | 0.0° |
| C13 | C18 | C17 | H2 | 179.9° | 179.9° |
| C18 | C13 | C12 | H4 | 135.0° | 150.0° |
| C18 | C13 | C12 | H5 | 13.6° | 30.0° |
| C18 | C13 | C14 | H6 | 179.1° | 180.0° |
| C14 | C13 | C18 | C17 | 1.0° | 0.1° |
| C13 | C14 | C15 | H6 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | H1 | 179.8° | 179.9° |
| C14 | C13 | C12 | H4 | 47.0° | 30.2° |
| C14 | C13 | C12 | H5 | 168.5° | 150.2° |
| C14 | C13 | C18 | H7 | 178.9° | 180.0° |
| N11 | C02 | N03 | N01 | 179.2° | 179.8° |
| N11 | C02 | N03 | C04 | 179.2° | 179.7° |
| N11 | C02 | N01 | C06 | 179.7° | 179.7° |
| C02 | N11 | H11 | H12 | 120.0° | 179.9° |
| C18 | C17 | C16 | H2 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 0.9° | 0.1° |
| C18 | C17 | C16 | C19 | 179.9° | 179.9° |
| C14 | C15 | C16 | C17 | 1.1° | 0.1° |
| C14 | C15 | C16 | H1 | 180.0° | 179.9° |
| C14 | C15 | C16 | C19 | 179.7° | 179.9° |
| C02 | N03 | C04 | N07 | 178.8° | 180.0° |
| C02 | N03 | C04 | C05 | 0.5° | 0.0° |
| N03 | C02 | N01 | C06 | 0.4° | 0.1° |
| N03 | C02 | N11 | H11 | 0.0° | 179.8° |
| N03 | C02 | N11 | H12 | 120.0° | 0.3° |
| N03 | C04 | N07 | C05 | 178.5° | 180.0° |
| N03 | C04 | N07 | C08 | 179.8° | 180.0° |
| C04 | N03 | C02 | N01 | 0.0° | 0.1° |
| N03 | C04 | C05 | N09 | 179.9° | 180.0° |
| N03 | C04 | C05 | C06 | 1.3° | 0.0° |
| C04 | N07 | C08 | N09 | 0.8° | 0.0° |
| N07 | C04 | C05 | N09 | 1.4° | 0.0° |
| N07 | C04 | C05 | C06 | 180.0° | 180.0° |
| C04 | N07 | C08 | H3 | 179.3° | 179.9° |
| C04 | N07 | C12 | H4 | 23.3° | 35.1° |
| C04 | N07 | C12 | H5 | 144.7° | 155.0° |
| C08 | N07 | C04 | C05 | 1.3° | 0.0° |
| N07 | C08 | N09 | H3 | 180.0° | 180.0° |
| N07 | C08 | N09 | C05 | 0.1° | 0.0° |
| C08 | N07 | C12 | H4 | 161.2° | 145.0° |
| C08 | N07 | C12 | H5 | 39.7° | 25.0° |
| C17 | C16 | C15 | C19 | 179.2° | 180.0° |
| C17 | C16 | C15 | H1 | 178.9° | 180.0° |
| C16 | C17 | C18 | H7 | 179.8° | 179.9° |
| C17 | C16 | C19 | H8 | 90.4° | 90.0° |
| C17 | C16 | C19 | H9 | 149.6° | 30.0° |
| C17 | C16 | C19 | H10 | 29.6° | 150.0° |
| C15 | C16 | C17 | H2 | 179.1° | 180.0° |
| C16 | C15 | C14 | H6 | 179.8° | 179.9° |
| C15 | C16 | C19 | H8 | 90.4° | 90.0° |
| C15 | C16 | C19 | H9 | 29.6° | 150.0° |
| C15 | C16 | C19 | H10 | 149.6° | 30.0° |
| C02 | N01 | C06 | C05 | 1.3° | 0.1° |
| C02 | N01 | C06 | CL1 | 178.5° | 180.0° |
| N01 | C02 | N11 | H11 | 179.3° | 0.0° |
| N01 | C02 | N11 | H12 | 59.3° | 179.9° |
| C19 | C16 | C15 | H1 | 0.3° | 0.0° |
| C19 | C16 | C17 | H2 | 0.1° | 0.0° |
| C16 | C19 | H8 | H9 | 120.0° | 120.0° |
| C16 | C19 | H8 | H10 | 120.0° | 120.0° |
| C16 | C19 | H9 | H10 | 120.0° | 120.0° |
| C04 | C05 | N09 | C08 | 1.0° | 0.0° |
| C04 | C05 | C06 | N01 | 1.7° | 0.1° |
| C04 | C05 | N09 | C06 | 178.2° | 179.9° |
| C04 | C05 | C06 | CL1 | 178.0° | 180.0° |
| C08 | N09 | C05 | C06 | 179.2° | 180.0° |
| N01 | C06 | C05 | N09 | 179.8° | 180.0° |
| N01 | C06 | C05 | CL1 | 179.7° | 179.9° |
| N09 | C05 | C06 | CL1 | 0.0° | 0.1° |
| C05 | N09 | C08 | H3 | 179.8° | 179.9° |
| H1 | C15 | C14 | H6 | 0.2° | 0.0° |
| H2 | C17 | C18 | H7 | 0.1° | 0.0° |
| H8 | C19 | H9 | H10 | 120.0° | 120.0° |
