GX5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C09 | sing | 1.74Å | 1.76Å | |
| C09 | N10 | doub | 1.31Å | 1.33Å | Aromatic |
| C09 | N08 | sing | 1.32Å | 1.34Å | Aromatic |
| N10 | C04 | sing | 1.34Å | 1.35Å | Aromatic |
| N08 | C07 | doub | 1.32Å | 1.32Å | Aromatic |
| C04 | C03 | doub | 1.41Å | 1.43Å | Aromatic |
| C04 | C05 | sing | 1.41Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.37Å | 1.39Å | Aromatic |
| C07 | C05 | sing | 1.42Å | 1.43Å | Aromatic |
| C07 | N12 | sing | 1.38Å | 1.44Å | |
| C05 | N06 | doub | 1.33Å | 1.37Å | Aromatic |
| C02 | C01 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | N12 | sing | 1.46Å | 1.45Å | |
| N12 | C14 | sing | 1.40Å | 1.45Å | |
| N06 | C01 | sing | 1.31Å | 1.33Å | Aromatic |
| C19 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | O20 | sing | 1.36Å | 1.40Å | |
| C21 | O20 | sing | 1.43Å | 1.40Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.08Å | 1.08Å | |
| C02 | H9 | sing | 1.08Å | 1.08Å | |
| C03 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C09 | N10 | 118.6° | 118.7° |
| CL1 | C09 | N08 | 118.8° | 118.6° |
| N10 | C09 | N08 | 122.6° | 122.7° |
| C09 | N10 | C04 | 119.2° | 120.5° |
| C09 | N08 | C07 | 120.9° | 121.6° |
| N10 | C04 | C03 | 118.7° | 122.1° |
| N10 | C04 | C05 | 121.0° | 119.0° |
| N08 | C07 | C05 | 119.5° | 118.3° |
| N08 | C07 | N12 | 118.4° | 120.9° |
| C03 | C04 | C05 | 120.3° | 118.9° |
| C04 | C03 | C02 | 116.7° | 118.1° |
| C04 | C03 | H10 | 121.6° | 120.9° |
| C04 | C05 | C07 | 117.0° | 117.9° |
| C04 | C05 | N06 | 120.6° | 120.2° |
| C03 | C02 | C01 | 120.8° | 119.9° |
| C03 | C02 | H9 | 119.6° | 120.0° |
| C02 | C03 | H10 | 121.6° | 121.0° |
| C05 | C07 | N12 | 122.1° | 120.9° |
| C07 | C05 | N06 | 122.4° | 121.9° |
| C07 | N12 | C13 | 117.6° | 120.0° |
| C07 | N12 | C14 | 121.8° | 120.0° |
| C05 | N06 | C01 | 120.7° | 121.2° |
| C02 | C01 | N06 | 120.9° | 121.7° |
| C02 | C01 | H8 | 119.6° | 119.2° |
| C01 | C02 | H9 | 119.6° | 120.1° |
| C13 | N12 | C14 | 117.2° | 120.0° |
| N12 | C13 | H1 | 109.5° | 109.5° |
| N12 | C13 | H2 | 109.5° | 109.5° |
| N12 | C13 | H3 | 109.4° | 109.5° |
| N12 | C14 | C19 | 120.5° | 120.0° |
| N12 | C14 | C15 | 119.3° | 120.0° |
| N06 | C01 | H8 | 119.6° | 119.2° |
| C14 | C19 | C18 | 119.2° | 119.9° |
| C19 | C14 | C15 | 120.2° | 120.0° |
| C14 | C19 | H13 | 120.4° | 120.0° |
| C19 | C18 | C17 | 120.5° | 120.0° |
| C19 | C18 | H12 | 119.7° | 119.9° |
| C18 | C19 | H13 | 120.4° | 120.0° |
| C14 | C15 | C16 | 120.6° | 120.0° |
| C14 | C15 | H4 | 119.7° | 120.0° |
| C18 | C17 | C16 | 119.4° | 120.1° |
| C18 | C17 | O20 | 122.8° | 120.0° |
| C17 | C18 | H12 | 119.7° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.0° |
| C16 | C15 | H4 | 119.7° | 120.0° |
| C15 | C16 | H11 | 120.0° | 120.0° |
| C16 | C17 | O20 | 117.8° | 119.9° |
| C17 | C16 | H11 | 120.0° | 120.1° |
| C17 | O20 | C21 | 116.3° | 117.0° |
| O20 | C21 | H5 | 109.5° | 109.5° |
| O20 | C21 | H6 | 109.4° | 109.5° |
| O20 | C21 | H7 | 109.5° | 109.4° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H1 | C13 | H3 | 109.5° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.4° |
| H5 | C21 | H6 | 109.4° | 109.5° |
| H5 | C21 | H7 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C09 | N10 | N08 | 179.7° | 180.0° |
| CL1 | C09 | N10 | C04 | 179.6° | 180.0° |
| CL1 | C09 | N08 | C07 | 179.9° | 180.0° |
| N10 | C09 | N08 | C07 | 0.4° | 0.0° |
| C09 | N10 | C04 | C03 | 180.0° | 180.0° |
| C09 | N10 | C04 | C05 | 1.0° | 0.0° |
| N08 | C09 | N10 | C04 | 0.8° | 0.0° |
| C09 | N08 | C07 | C05 | 0.2° | 0.0° |
| C09 | N08 | C07 | N12 | 179.7° | 179.9° |
| N10 | C04 | C03 | C05 | 179.0° | 180.0° |
| N10 | C04 | C03 | C02 | 178.9° | 180.0° |
| N10 | C04 | C05 | C07 | 0.8° | 0.0° |
| N10 | C04 | C05 | N06 | 179.0° | 179.7° |
| N10 | C04 | C03 | H10 | 1.0° | 0.1° |
| N08 | C07 | C05 | C04 | 0.4° | 0.0° |
| N08 | C07 | C05 | N12 | 179.9° | 180.0° |
| N08 | C07 | C05 | N06 | 179.4° | 179.7° |
| N08 | C07 | N12 | C13 | 18.9° | 85.5° |
| N08 | C07 | N12 | C14 | 139.8° | 94.8° |
| C04 | C03 | C02 | H10 | 180.0° | 179.9° |
| C03 | C04 | C05 | C07 | 179.8° | 180.0° |
| C03 | C04 | C05 | N06 | 0.1° | 0.3° |
| C04 | C03 | C02 | C01 | 0.1° | 0.1° |
| C04 | C03 | C02 | H9 | 179.9° | 180.0° |
| C05 | C04 | C03 | C02 | 0.0° | 0.0° |
| C04 | C05 | C07 | N06 | 179.9° | 179.7° |
| C04 | C05 | C07 | N12 | 179.4° | 180.0° |
| C04 | C05 | N06 | C01 | 0.1° | 0.5° |
| C05 | C04 | C03 | H10 | 180.0° | 179.9° |
| C03 | C02 | C01 | H9 | 180.0° | 180.0° |
| C03 | C02 | C01 | N06 | 0.1° | 0.2° |
| C03 | C02 | C01 | H8 | 179.8° | 180.0° |
| C05 | C07 | N12 | C13 | 161.2° | 94.6° |
| C05 | C07 | N12 | C14 | 40.1° | 85.1° |
| C07 | C05 | N06 | C01 | 179.8° | 179.7° |
| N12 | C07 | C05 | N06 | 0.7° | 0.2° |
| C07 | N12 | C13 | C14 | 159.7° | 179.7° |
| C07 | N12 | C14 | C19 | 37.2° | 6.1° |
| C07 | N12 | C14 | C15 | 143.8° | 173.9° |
| C07 | N12 | C13 | H1 | 180.0° | 85.3° |
| C07 | N12 | C13 | H2 | 60.0° | 34.7° |
| C07 | N12 | C13 | H3 | 60.0° | 154.7° |
| C05 | N06 | C01 | C02 | 0.0° | 0.5° |
| C05 | N06 | C01 | H8 | 179.9° | 179.7° |
| C02 | C01 | N06 | H8 | 180.0° | 179.7° |
| C01 | C02 | C03 | H10 | 179.9° | 179.9° |
| C13 | N12 | C14 | C19 | 121.6° | 174.2° |
| C13 | N12 | C14 | C15 | 57.4° | 5.8° |
| N12 | C13 | H1 | H2 | 120.0° | 120.0° |
| N12 | C13 | H1 | H3 | 120.0° | 120.0° |
| N12 | C13 | H2 | H3 | 120.0° | 120.0° |
| N12 | C14 | C19 | C15 | 179.0° | 180.0° |
| N12 | C14 | C19 | C18 | 179.2° | 180.0° |
| N12 | C14 | C15 | C16 | 179.6° | 180.0° |
| C14 | N12 | C13 | H1 | 20.3° | 94.4° |
| C14 | N12 | C13 | H2 | 99.7° | 145.6° |
| C14 | N12 | C13 | H3 | 140.3° | 25.6° |
| N12 | C14 | C15 | H4 | 0.4° | 0.3° |
| N12 | C14 | C19 | H13 | 0.7° | 0.1° |
| N06 | C01 | C02 | H9 | 179.9° | 179.7° |
| C14 | C19 | C18 | H13 | 180.0° | 179.9° |
| C14 | C19 | C18 | C17 | 0.4° | 0.3° |
| C19 | C14 | C15 | C16 | 0.6° | 0.0° |
| C19 | C14 | C15 | H4 | 179.4° | 179.7° |
| C14 | C19 | C18 | H12 | 179.6° | 179.8° |
| C18 | C19 | C14 | C15 | 0.3° | 0.0° |
| C19 | C18 | C17 | H12 | 180.0° | 179.5° |
| C19 | C18 | C17 | C16 | 0.8° | 0.6° |
| C19 | C18 | C17 | O20 | 178.5° | 180.0° |
| C14 | C15 | C16 | H4 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.2° | 0.2° |
| C14 | C15 | C16 | H11 | 179.8° | 179.7° |
| C15 | C14 | C19 | H13 | 179.7° | 180.0° |
| C18 | C17 | C16 | C15 | 0.4° | 0.5° |
| C18 | C17 | C16 | O20 | 177.8° | 179.5° |
| C18 | C17 | O20 | C21 | 34.8° | 0.5° |
| C18 | C17 | C16 | H11 | 179.5° | 179.5° |
| C17 | C18 | C19 | H13 | 179.6° | 179.8° |
| C15 | C16 | C17 | H11 | 180.0° | 180.0° |
| C15 | C16 | C17 | O20 | 178.3° | 180.0° |
| C16 | C17 | O20 | C21 | 147.5° | 180.0° |
| C17 | C16 | C15 | H4 | 179.7° | 180.0° |
| C16 | C17 | C18 | H12 | 179.2° | 180.0° |
| C17 | O20 | C21 | H5 | 180.0° | 60.0° |
| C17 | O20 | C21 | H6 | 60.0° | 60.0° |
| C17 | O20 | C21 | H7 | 60.0° | 180.0° |
| O20 | C17 | C16 | H11 | 1.7° | 0.0° |
| O20 | C17 | C18 | H12 | 1.5° | 0.5° |
| O20 | C21 | H5 | H6 | 120.0° | 120.0° |
| O20 | C21 | H5 | H7 | 120.0° | 120.0° |
| O20 | C21 | H6 | H7 | 120.0° | 120.0° |
| H1 | C13 | H2 | H3 | 120.0° | 120.0° |
| H4 | C15 | C16 | H11 | 0.2° | 0.0° |
| H5 | C21 | H6 | H7 | 120.0° | 120.0° |
| H8 | C01 | C02 | H9 | 0.2° | 0.0° |
| H9 | C02 | C03 | H10 | 0.1° | 0.1° |
| H12 | C18 | C19 | H13 | 0.4° | 0.3° |
