GXK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C9 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | N5 | sing | 1.46Å | 1.47Å | |
| N5 | C4 | sing | 1.39Å | 1.40Å | |
| N11 | C10 | doub | 1.33Å | 1.32Å | Aromatic |
| N11 | C12 | sing | 1.33Å | 1.33Å | Aromatic |
| C4 | C10 | sing | 1.41Å | 1.42Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | N23 | sing | 1.37Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| N23 | C13 | sing | 1.37Å | 1.37Å | Aromatic |
| N23 | N24 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.48Å | |
| C2 | N24 | doub | 1.31Å | 1.30Å | Aromatic |
| C2 | CL1 | sing | 1.74Å | 1.73Å | |
| C22 | C14 | sing | 1.41Å | 1.42Å | Aromatic |
| C22 | C21 | doub | 1.35Å | 1.36Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C20 | C16 | sing | 1.47Å | 1.47Å | Aromatic |
| C20 | N19 | doub | 1.32Å | 1.32Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| N19 | N18 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | N18 | sing | 1.34Å | 1.34Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| N5 | H11 | sing | 0.97Å | 1.00Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| N18 | H14 | sing | 0.97Å | 1.00Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 59.8° | 60.0° |
| C8 | C9 | C7 | 60.0° | 60.0° |
| C9 | C8 | H5 | 120.0° | 117.5° |
| C9 | C8 | H6 | 120.0° | 117.5° |
| C8 | C9 | H12 | 120.0° | 117.5° |
| C8 | C9 | H13 | 120.0° | 117.6° |
| C8 | C7 | C9 | 60.2° | 60.0° |
| C8 | C7 | C6 | 118.5° | 117.5° |
| C8 | C7 | H4 | 116.1° | 117.5° |
| C7 | C8 | H5 | 120.0° | 117.5° |
| C7 | C8 | H6 | 120.0° | 117.5° |
| C9 | C7 | C6 | 118.2° | 117.5° |
| C9 | C7 | H4 | 116.1° | 117.4° |
| C7 | C9 | H12 | 120.0° | 117.5° |
| C7 | C9 | H13 | 120.0° | 117.5° |
| C7 | C6 | N5 | 110.6° | 109.5° |
| C7 | C6 | H2 | 109.2° | 109.5° |
| C7 | C6 | H3 | 109.2° | 109.4° |
| C6 | C7 | H4 | 116.1° | 115.6° |
| C6 | N5 | C4 | 123.9° | 120.0° |
| N5 | C6 | H2 | 109.2° | 109.5° |
| N5 | C6 | H3 | 109.2° | 109.5° |
| C6 | N5 | H11 | 105.8° | 120.0° |
| N5 | C4 | C10 | 117.7° | 120.6° |
| N5 | C4 | C3 | 124.6° | 120.5° |
| C4 | N5 | H11 | 105.8° | 119.9° |
| C10 | N11 | C12 | 109.4° | 109.5° |
| N11 | C10 | C4 | 132.2° | 132.4° |
| N11 | C10 | N23 | 108.4° | 108.5° |
| N11 | C12 | C13 | 108.7° | 108.2° |
| N11 | C12 | H7 | 125.6° | 125.9° |
| C10 | C4 | C3 | 117.7° | 118.9° |
| C4 | C10 | N23 | 119.4° | 119.1° |
| C4 | C3 | C2 | 120.4° | 119.9° |
| C4 | C3 | H1 | 119.8° | 120.1° |
| C10 | N23 | C13 | 107.5° | 107.1° |
| C10 | N23 | N24 | 120.6° | 120.2° |
| C3 | C2 | N24 | 120.6° | 120.9° |
| C3 | C2 | CL1 | 122.1° | 119.5° |
| C2 | C3 | H1 | 119.8° | 120.0° |
| C12 | C13 | N23 | 106.0° | 106.7° |
| C12 | C13 | C14 | 127.1° | 126.6° |
| C13 | C12 | H7 | 125.7° | 125.9° |
| C13 | N23 | N24 | 131.9° | 132.8° |
| N23 | C13 | C14 | 126.9° | 126.7° |
| N23 | N24 | C2 | 121.2° | 121.0° |
| C13 | C14 | C22 | 118.8° | 119.4° |
| C13 | C14 | C15 | 121.0° | 119.4° |
| N24 | C2 | CL1 | 117.2° | 119.6° |
| C14 | C22 | C21 | 122.4° | 121.7° |
| C22 | C14 | C15 | 120.2° | 121.2° |
| C14 | C22 | H15 | 118.8° | 119.1° |
| C22 | C21 | C20 | 119.8° | 119.9° |
| C22 | C21 | H10 | 120.1° | 120.0° |
| C21 | C22 | H15 | 118.8° | 119.1° |
| C14 | C15 | C16 | 119.7° | 119.3° |
| C14 | C15 | H8 | 120.2° | 120.4° |
| C21 | C20 | C16 | 118.8° | 118.9° |
| C21 | C20 | N19 | 134.4° | 134.3° |
| C20 | C21 | H10 | 120.1° | 120.1° |
| C15 | C16 | C20 | 119.1° | 118.9° |
| C15 | C16 | C17 | 134.4° | 134.6° |
| C16 | C15 | H8 | 120.2° | 120.3° |
| C16 | C20 | N19 | 106.7° | 106.7° |
| C20 | C16 | C17 | 106.5° | 106.5° |
| C20 | N19 | N18 | 108.7° | 109.0° |
| C16 | C17 | N18 | 107.5° | 107.8° |
| C16 | C17 | H9 | 126.2° | 126.1° |
| N19 | N18 | C17 | 110.5° | 110.0° |
| N19 | N18 | H14 | 124.8° | 125.0° |
| N18 | C17 | H9 | 126.3° | 126.1° |
| C17 | N18 | H14 | 124.8° | 125.0° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 115.5° |
| H12 | C9 | H13 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H5 | 109.4° | 107.5° |
| C9 | C8 | C7 | H6 | 109.4° | 107.6° |
| C8 | C9 | C7 | H12 | 109.4° | 107.5° |
| C8 | C9 | C7 | H13 | 109.5° | 107.5° |
| C9 | C8 | C7 | C6 | 108.0° | 107.5° |
| C9 | C8 | C7 | H4 | 106.5° | 107.4° |
| C9 | C8 | H5 | H6 | 144.9° | 145.7° |
| C8 | C9 | H12 | H13 | 144.7° | 145.7° |
| C8 | C7 | C6 | H4 | 145.5° | 145.8° |
| C8 | C7 | C6 | N5 | 124.2° | 175.1° |
| C8 | C7 | C6 | H2 | 4.0° | 64.9° |
| C8 | C7 | C6 | H3 | 115.6° | 55.2° |
| C7 | C8 | H5 | H6 | 144.8° | 145.7° |
| C9 | C7 | C6 | H4 | 145.1° | 145.6° |
| C9 | C7 | C6 | N5 | 54.7° | 116.3° |
| C9 | C7 | C6 | H2 | 65.5° | 3.8° |
| C9 | C7 | C6 | H3 | 174.9° | 123.8° |
| C7 | C9 | H12 | H13 | 144.7° | 145.7° |
| C7 | C6 | N5 | H2 | 120.2° | 120.0° |
| C7 | C6 | N5 | H3 | 120.2° | 119.9° |
| C7 | C6 | N5 | C4 | 78.1° | 180.0° |
| C7 | C6 | H2 | H3 | 119.4° | 119.9° |
| C6 | C7 | C8 | H5 | 1.5° | 145.0° |
| C6 | C7 | C8 | H6 | 142.6° | 0.1° |
| C7 | C6 | N5 | H11 | 43.9° | 0.1° |
| C6 | C7 | C9 | H12 | 142.1° | 0.0° |
| C6 | C7 | C9 | H13 | 1.0° | 144.9° |
| C6 | N5 | C4 | H11 | 122.0° | 179.9° |
| C6 | N5 | C4 | C10 | 172.3° | 179.9° |
| C6 | N5 | C4 | C3 | 8.5° | 0.0° |
| N5 | C6 | H2 | H3 | 119.5° | 120.0° |
| N5 | C6 | C7 | H4 | 90.3° | 29.3° |
| N5 | C4 | C10 | N11 | 0.7° | 0.0° |
| N5 | C4 | C10 | C3 | 179.3° | 180.0° |
| N5 | C4 | C10 | N23 | 179.4° | 180.0° |
| N5 | C4 | C3 | C2 | 179.6° | 180.0° |
| N5 | C4 | C3 | H1 | 0.5° | 0.0° |
| C4 | N5 | C6 | H2 | 161.7° | 60.0° |
| C4 | N5 | C6 | H3 | 42.1° | 60.1° |
| N11 | C10 | C4 | N23 | 179.9° | 180.0° |
| N11 | C10 | C4 | C3 | 180.0° | 180.0° |
| C10 | N11 | C12 | C13 | 0.2° | 0.0° |
| N11 | C10 | N23 | C13 | 0.0° | 0.0° |
| N11 | C10 | N23 | N24 | 180.0° | 180.0° |
| C10 | N11 | C12 | H7 | 179.7° | 180.0° |
| C12 | N11 | C10 | C4 | 179.8° | 180.0° |
| C12 | N11 | C10 | N23 | 0.1° | 0.0° |
| N11 | C12 | C13 | H7 | 180.0° | 180.0° |
| N11 | C12 | C13 | N23 | 0.2° | 0.0° |
| N11 | C12 | C13 | C14 | 179.3° | 180.0° |
| C10 | C4 | C3 | C2 | 0.4° | 0.1° |
| C4 | C10 | N23 | C13 | 179.9° | 180.0° |
| C4 | C10 | N23 | N24 | 0.1° | 0.0° |
| C10 | C4 | C3 | H1 | 179.7° | 180.0° |
| C10 | C4 | N5 | H11 | 65.7° | 0.0° |
| C3 | C4 | C10 | N23 | 0.1° | 0.0° |
| C4 | C3 | C2 | H1 | 180.0° | 179.9° |
| C4 | C3 | C2 | N24 | 0.5° | 0.1° |
| C4 | C3 | C2 | CL1 | 179.9° | 179.7° |
| C3 | C4 | N5 | H11 | 113.5° | 179.9° |
| C10 | N23 | C13 | C12 | 0.2° | 0.0° |
| C10 | N23 | C13 | N24 | 180.0° | 179.9° |
| C10 | N23 | C13 | C14 | 179.4° | 180.0° |
| C10 | N23 | N24 | C2 | 0.2° | 0.0° |
| C3 | C2 | N24 | N23 | 0.4° | 0.0° |
| C3 | C2 | N24 | CL1 | 179.7° | 179.8° |
| C12 | C13 | N23 | C14 | 179.5° | 179.9° |
| C12 | C13 | N23 | N24 | 179.8° | 180.0° |
| C12 | C13 | C14 | C22 | 26.0° | 175.0° |
| C12 | C13 | C14 | C15 | 155.1° | 5.0° |
| C13 | N23 | N24 | C2 | 179.8° | 180.0° |
| N23 | C13 | C14 | C22 | 153.4° | 5.0° |
| N23 | C13 | C14 | C15 | 25.5° | 175.0° |
| N23 | C13 | C12 | H7 | 179.7° | 180.0° |
| N24 | N23 | C13 | C14 | 0.7° | 0.1° |
| N23 | N24 | C2 | CL1 | 179.9° | 179.8° |
| C13 | C14 | C22 | C15 | 178.9° | 180.0° |
| C13 | C14 | C22 | C21 | 179.7° | 179.4° |
| C13 | C14 | C15 | C16 | 179.8° | 180.0° |
| C14 | C13 | C12 | H7 | 0.7° | 0.0° |
| C13 | C14 | C15 | H8 | 0.2° | 0.3° |
| C13 | C14 | C22 | H15 | 0.3° | 0.0° |
| N24 | C2 | C3 | H1 | 179.5° | 180.0° |
| CL1 | C2 | C3 | H1 | 0.1° | 0.2° |
| C14 | C22 | C21 | H15 | 180.0° | 179.5° |
| C14 | C22 | C21 | C20 | 0.1° | 0.9° |
| C22 | C14 | C15 | C16 | 0.9° | 0.0° |
| C22 | C14 | C15 | H8 | 179.1° | 179.7° |
| C14 | C22 | C21 | H10 | 179.9° | 179.7° |
| C21 | C22 | C14 | C15 | 0.8° | 0.6° |
| C22 | C21 | C20 | H10 | 180.0° | 179.4° |
| C22 | C21 | C20 | C16 | 0.4° | 0.6° |
| C22 | C21 | C20 | N19 | 179.5° | 179.5° |
| C14 | C15 | C16 | H8 | 180.0° | 179.7° |
| C14 | C15 | C16 | C20 | 0.4° | 0.2° |
| C14 | C15 | C16 | C17 | 179.3° | 179.7° |
| C15 | C14 | C22 | H15 | 179.2° | 180.0° |
| C21 | C20 | C16 | C15 | 0.3° | 0.1° |
| C21 | C20 | C16 | N19 | 179.9° | 179.9° |
| C21 | C20 | C16 | C17 | 179.9° | 180.0° |
| C21 | C20 | N19 | N18 | 179.9° | 179.9° |
| C20 | C21 | C22 | H15 | 179.9° | 179.7° |
| C15 | C16 | C20 | C17 | 179.8° | 179.9° |
| C15 | C16 | C20 | N19 | 179.6° | 180.0° |
| C15 | C16 | C17 | N18 | 179.7° | 180.0° |
| C15 | C16 | C17 | H9 | 0.3° | 0.1° |
| C16 | C20 | N19 | N18 | 0.2° | 0.1° |
| C20 | C16 | C17 | N18 | 0.0° | 0.1° |
| C20 | C16 | C15 | H8 | 179.6° | 179.9° |
| C20 | C16 | C17 | H9 | 180.0° | 180.0° |
| C16 | C20 | C21 | H10 | 179.6° | 180.0° |
| N19 | C20 | C16 | C17 | 0.2° | 0.1° |
| C20 | N19 | N18 | C17 | 0.2° | 0.0° |
| N19 | C20 | C21 | H10 | 0.5° | 0.1° |
| C20 | N19 | N18 | H14 | 179.8° | 180.0° |
| C16 | C17 | N18 | N19 | 0.1° | 0.0° |
| C16 | C17 | N18 | H9 | 180.0° | 179.9° |
| C17 | C16 | C15 | H8 | 0.7° | 0.0° |
| C16 | C17 | N18 | H14 | 179.9° | 179.9° |
| N19 | N18 | C17 | H14 | 180.0° | 179.9° |
| N19 | N18 | C17 | H9 | 179.9° | 179.9° |
| H2 | C6 | C7 | H4 | 149.5° | 149.4° |
| H2 | C6 | N5 | H11 | 76.3° | 120.0° |
| H3 | C6 | C7 | H4 | 29.9° | 90.6° |
| H3 | C6 | N5 | H11 | 164.1° | 120.0° |
| H4 | C7 | C8 | H5 | 144.0° | 0.1° |
| H4 | C7 | C8 | H6 | 2.9° | 145.0° |
| H4 | C7 | C9 | H12 | 3.0° | 145.0° |
| H4 | C7 | C9 | H13 | 144.1° | 0.0° |
| H5 | C8 | C9 | H12 | 141.1° | 145.0° |
| H5 | C8 | C9 | H13 | 0.0° | 0.0° |
| H6 | C8 | C9 | H12 | 0.1° | 0.0° |
| H6 | C8 | C9 | H13 | 141.1° | 145.0° |
| H9 | C17 | N18 | H14 | 0.1° | 0.0° |
| H10 | C21 | C22 | H15 | 0.1° | 0.3° |
