GX0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | sing | 1.54Å | 1.52Å | |
| C1 | N | sing | 1.48Å | 1.48Å | |
| C3 | C2 | sing | 1.55Å | 1.52Å | |
| N | C | sing | 1.48Å | 1.48Å | |
| N | C4 | sing | 1.47Å | 1.48Å | |
| C2 | C | sing | 1.55Å | 1.52Å | |
| C11 | C13 | doub | 1.37Å | 1.39Å | Aromatic |
| C11 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| N2 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| N2 | C5 | doub | 1.30Å | 1.36Å | Aromatic |
| C8 | C6 | doub | 1.40Å | 1.48Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C5 | N1 | sing | 1.36Å | 1.35Å | Aromatic |
| C12 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | N1 | sing | 1.38Å | 1.34Å | Aromatic |
| N1 | C7 | sing | 1.46Å | 1.46Å | |
| C7 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | CL | sing | 1.74Å | 1.80Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | N | 108.2° | 107.0° |
| C1 | C3 | C2 | 105.3° | 105.2° |
| C3 | C1 | H6 | 109.8° | 109.9° |
| C3 | C1 | H7 | 109.8° | 110.0° |
| C1 | C3 | H10 | 110.5° | 110.3° |
| C1 | C3 | H11 | 110.5° | 110.3° |
| C1 | N | C | 108.3° | 105.9° |
| C1 | N | C4 | 111.3° | 111.0° |
| N | C1 | H6 | 109.8° | 110.0° |
| N | C1 | H7 | 109.8° | 109.8° |
| C3 | C2 | C | 106.3° | 102.8° |
| C3 | C2 | H8 | 110.3° | 110.7° |
| C3 | C2 | H9 | 110.3° | 111.0° |
| C2 | C3 | H10 | 110.5° | 110.2° |
| C2 | C3 | H11 | 110.5° | 110.4° |
| C | N | C4 | 111.3° | 111.0° |
| N | C | C2 | 105.9° | 103.4° |
| N | C | H3 | 110.4° | 110.7° |
| N | C | H4 | 110.3° | 110.7° |
| N | C4 | C5 | 113.6° | 109.5° |
| N | C4 | H12 | 108.4° | 109.5° |
| N | C4 | H13 | 108.4° | 109.4° |
| C2 | C | H3 | 110.3° | 110.6° |
| C2 | C | H4 | 110.4° | 110.6° |
| C | C2 | H8 | 110.2° | 110.7° |
| C | C2 | H9 | 110.3° | 110.7° |
| C13 | C11 | C8 | 119.5° | 119.9° |
| C11 | C13 | C12 | 121.7° | 120.6° |
| C13 | C11 | H15 | 120.3° | 120.0° |
| C11 | C13 | H17 | 119.2° | 119.7° |
| C11 | C8 | N2 | 134.6° | 133.6° |
| C11 | C8 | C6 | 119.2° | 119.5° |
| C8 | C11 | H15 | 120.2° | 120.1° |
| C13 | C12 | C10 | 120.5° | 120.5° |
| C13 | C12 | H16 | 119.7° | 119.7° |
| C12 | C13 | H17 | 119.2° | 119.7° |
| C8 | N2 | C5 | 108.5° | 109.6° |
| N2 | C8 | C6 | 106.2° | 107.0° |
| N2 | C5 | C4 | 125.4° | 124.9° |
| N2 | C5 | N1 | 110.1° | 110.1° |
| C8 | C6 | C10 | 119.2° | 119.8° |
| C8 | C6 | N1 | 106.0° | 106.0° |
| C4 | C5 | N1 | 124.4° | 125.0° |
| C5 | C4 | H12 | 108.4° | 109.5° |
| C5 | C4 | H13 | 108.4° | 109.4° |
| C5 | N1 | C6 | 109.1° | 107.3° |
| C5 | N1 | C7 | 126.0° | 126.3° |
| C12 | C10 | C6 | 119.9° | 119.7° |
| C12 | C10 | H14 | 120.0° | 120.2° |
| C10 | C12 | H16 | 119.7° | 119.8° |
| C10 | C6 | N1 | 134.8° | 134.1° |
| C6 | C10 | H14 | 120.1° | 120.1° |
| C6 | N1 | C7 | 124.9° | 126.3° |
| N1 | C7 | C9 | 109.4° | 109.5° |
| N1 | C7 | H1 | 109.5° | 109.5° |
| N1 | C7 | H2 | 109.5° | 109.5° |
| C7 | C9 | C14 | 119.3° | 119.9° |
| C7 | C9 | C15 | 120.5° | 120.0° |
| C9 | C7 | H1 | 109.5° | 109.5° |
| C9 | C7 | H2 | 109.5° | 109.4° |
| C14 | C9 | C15 | 120.2° | 120.0° |
| C9 | C14 | C16 | 120.0° | 120.0° |
| C9 | C14 | H18 | 120.0° | 120.0° |
| C9 | C15 | C17 | 119.9° | 120.1° |
| C9 | C15 | H19 | 120.1° | 120.0° |
| C14 | C16 | C18 | 119.9° | 120.0° |
| C16 | C14 | H18 | 120.0° | 120.0° |
| C14 | C16 | H20 | 120.0° | 120.0° |
| C15 | C17 | C18 | 119.9° | 119.9° |
| C17 | C15 | H19 | 120.0° | 119.9° |
| C15 | C17 | H21 | 120.0° | 120.0° |
| C16 | C18 | C17 | 120.1° | 120.0° |
| C16 | C18 | CL | 120.0° | 120.0° |
| C18 | C16 | H20 | 120.0° | 120.0° |
| C17 | C18 | CL | 119.9° | 120.0° |
| C18 | C17 | H21 | 120.0° | 120.1° |
| H1 | C7 | H2 | 109.5° | 109.4° |
| H3 | C | H4 | 109.5° | 110.6° |
| H6 | C1 | H7 | 109.4° | 110.1° |
| H8 | C2 | H9 | 109.5° | 110.6° |
| H10 | C3 | H11 | 109.5° | 110.4° |
| H12 | C4 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | N | H6 | 119.8° | 119.4° |
| C3 | C1 | N | H7 | 119.8° | 119.3° |
| C1 | C3 | C2 | H10 | 119.3° | 118.9° |
| C1 | C3 | C2 | H11 | 119.4° | 119.0° |
| C3 | C1 | N | C | 10.3° | 25.3° |
| C3 | C1 | N | C4 | 132.9° | 145.8° |
| C1 | C3 | C2 | C | 18.4° | 21.8° |
| C3 | C1 | H6 | H7 | 120.6° | 121.2° |
| C1 | C3 | C2 | H8 | 137.9° | 96.5° |
| C1 | C3 | C2 | H9 | 101.1° | 140.2° |
| C1 | C3 | H10 | H11 | 121.9° | 122.1° |
| N | C1 | C3 | C2 | 5.3° | 1.3° |
| C1 | N | C | C4 | 122.6° | 120.5° |
| C1 | N | C | C2 | 21.7° | 39.1° |
| C1 | N | C4 | C5 | 161.6° | 72.6° |
| C1 | N | C | H3 | 141.2° | 157.6° |
| C1 | N | C | H4 | 97.7° | 79.4° |
| N | C1 | H6 | H7 | 120.6° | 121.2° |
| N | C1 | C3 | H10 | 114.0° | 120.1° |
| N | C1 | C3 | H11 | 124.7° | 117.7° |
| C1 | N | C4 | H12 | 41.0° | 47.4° |
| C1 | N | C4 | H13 | 77.8° | 167.4° |
| C3 | C2 | C | N | 24.9° | 37.2° |
| C3 | C2 | C | H8 | 119.5° | 118.3° |
| C3 | C2 | C | H9 | 119.5° | 118.6° |
| C3 | C2 | C | H3 | 144.3° | 155.7° |
| C3 | C2 | C | H4 | 94.5° | 81.3° |
| C2 | C3 | C1 | H6 | 114.5° | 118.1° |
| C2 | C3 | C1 | H7 | 125.2° | 120.6° |
| C3 | C2 | H8 | H9 | 121.5° | 123.4° |
| C2 | C3 | H10 | H11 | 121.9° | 122.1° |
| N | C | C2 | H3 | 119.4° | 118.5° |
| N | C | C2 | H4 | 119.4° | 118.5° |
| C | N | C4 | C5 | 77.5° | 170.0° |
| N | C | H3 | H4 | 121.6° | 123.1° |
| C | N | C1 | H6 | 130.1° | 94.1° |
| C | N | C1 | H7 | 109.6° | 144.6° |
| N | C | C2 | H8 | 144.4° | 81.0° |
| N | C | C2 | H9 | 94.6° | 155.9° |
| C | N | C4 | H12 | 161.9° | 70.0° |
| C | N | C4 | H13 | 43.1° | 50.0° |
| C4 | N | C | C2 | 144.4° | 159.6° |
| N | C4 | C5 | N2 | 33.7° | 90.1° |
| N | C4 | C5 | H12 | 120.6° | 120.0° |
| N | C4 | C5 | H13 | 120.6° | 120.0° |
| N | C4 | C5 | N1 | 146.9° | 90.0° |
| C4 | N | C | H3 | 96.2° | 81.9° |
| C4 | N | C | H4 | 24.9° | 41.2° |
| C4 | N | C1 | H6 | 107.3° | 26.5° |
| C4 | N | C1 | H7 | 13.1° | 94.8° |
| N | C4 | H12 | H13 | 118.1° | 120.0° |
| C2 | C | H3 | H4 | 121.7° | 123.0° |
| C | C2 | H8 | H9 | 121.5° | 123.2° |
| C | C2 | C3 | H10 | 100.9° | 97.2° |
| C | C2 | C3 | H11 | 137.8° | 140.7° |
| C13 | C11 | C8 | H15 | 180.0° | 179.9° |
| C11 | C13 | C12 | H17 | 180.0° | 180.0° |
| C13 | C11 | C8 | N2 | 179.9° | 180.0° |
| C13 | C11 | C8 | C6 | 0.1° | 0.0° |
| C11 | C13 | C12 | C10 | 0.1° | 0.0° |
| C11 | C13 | C12 | H16 | 179.9° | 180.0° |
| C8 | C11 | C13 | C12 | 0.2° | 0.0° |
| C11 | C8 | N2 | C6 | 180.0° | 180.0° |
| C11 | C8 | N2 | C5 | 179.6° | 180.0° |
| C11 | C8 | C6 | C10 | 0.0° | 0.0° |
| C11 | C8 | C6 | N1 | 179.7° | 180.0° |
| C8 | C11 | C13 | H17 | 179.8° | 180.0° |
| C13 | C12 | C10 | H16 | 180.0° | 179.9° |
| C13 | C12 | C10 | C6 | 0.1° | 0.0° |
| C13 | C12 | C10 | H14 | 180.0° | 180.0° |
| C12 | C13 | C11 | H15 | 179.8° | 179.9° |
| C8 | N2 | C5 | C4 | 179.8° | 180.0° |
| C8 | N2 | C5 | N1 | 0.3° | 0.0° |
| N2 | C8 | C6 | C10 | 179.9° | 180.0° |
| N2 | C8 | C6 | N1 | 0.3° | 0.0° |
| N2 | C8 | C11 | H15 | 0.1° | 0.0° |
| C5 | N2 | C8 | C6 | 0.3° | 0.0° |
| N2 | C5 | C4 | N1 | 179.4° | 180.0° |
| N2 | C5 | N1 | C6 | 0.1° | 0.0° |
| N2 | C5 | N1 | C7 | 179.6° | 180.0° |
| N2 | C5 | C4 | H12 | 154.4° | 30.0° |
| N2 | C5 | C4 | H13 | 86.9° | 150.0° |
| C8 | C6 | N1 | C5 | 0.1° | 0.0° |
| C8 | C6 | C10 | C12 | 0.1° | 0.0° |
| C8 | C6 | C10 | N1 | 179.5° | 179.9° |
| C8 | C6 | N1 | C7 | 179.8° | 180.0° |
| C8 | C6 | C10 | H14 | 179.9° | 180.0° |
| C6 | C8 | C11 | H15 | 179.9° | 180.0° |
| C4 | C5 | N1 | C6 | 179.6° | 179.9° |
| C4 | C5 | N1 | C7 | 0.1° | 0.0° |
| C5 | C4 | H12 | H13 | 118.1° | 120.0° |
| C5 | N1 | C6 | C10 | 179.7° | 180.0° |
| C5 | N1 | C6 | C7 | 179.7° | 179.9° |
| C5 | N1 | C7 | C9 | 92.8° | 90.0° |
| C5 | N1 | C7 | H1 | 147.2° | 149.9° |
| C5 | N1 | C7 | H2 | 27.1° | 30.0° |
| N1 | C5 | C4 | H12 | 26.2° | 150.0° |
| N1 | C5 | C4 | H13 | 92.5° | 30.0° |
| C12 | C10 | C6 | H14 | 180.0° | 180.0° |
| C12 | C10 | C6 | N1 | 179.6° | 179.9° |
| C10 | C12 | C13 | H17 | 179.9° | 180.0° |
| C10 | C6 | N1 | C7 | 0.7° | 0.1° |
| C6 | C10 | C12 | H16 | 179.9° | 180.0° |
| C6 | N1 | C7 | C9 | 86.8° | 90.1° |
| C6 | N1 | C7 | H1 | 33.2° | 29.9° |
| C6 | N1 | C7 | H2 | 153.2° | 149.9° |
| N1 | C6 | C10 | H14 | 0.4° | 0.1° |
| N1 | C7 | C9 | H1 | 120.0° | 120.1° |
| N1 | C7 | C9 | H2 | 120.0° | 120.0° |
| N1 | C7 | C9 | C14 | 107.6° | 90.0° |
| N1 | C7 | C9 | C15 | 71.6° | 90.2° |
| N1 | C7 | H1 | H2 | 120.1° | 120.1° |
| C7 | C9 | C14 | C15 | 179.2° | 179.8° |
| C7 | C9 | C14 | C16 | 179.6° | 180.0° |
| C7 | C9 | C15 | C17 | 179.5° | 180.0° |
| C9 | C7 | H1 | H2 | 120.0° | 119.9° |
| C7 | C9 | C14 | H18 | 0.4° | 0.0° |
| C7 | C9 | C15 | H19 | 0.5° | 0.0° |
| C9 | C14 | C16 | H18 | 180.0° | 180.0° |
| C14 | C9 | C15 | C17 | 0.4° | 0.2° |
| C9 | C14 | C16 | C18 | 0.3° | 0.1° |
| C14 | C9 | C7 | H1 | 12.4° | 30.1° |
| C14 | C9 | C7 | H2 | 132.4° | 150.0° |
| C14 | C9 | C15 | H19 | 179.7° | 179.8° |
| C9 | C14 | C16 | H20 | 179.7° | 179.9° |
| C15 | C9 | C14 | C16 | 0.4° | 0.2° |
| C9 | C15 | C17 | H19 | 180.0° | 180.0° |
| C9 | C15 | C17 | C18 | 0.2° | 0.0° |
| C15 | C9 | C7 | H1 | 168.4° | 149.7° |
| C15 | C9 | C7 | H2 | 48.4° | 29.8° |
| C15 | C9 | C14 | H18 | 179.5° | 179.8° |
| C9 | C15 | C17 | H21 | 179.8° | 179.9° |
| C14 | C16 | C18 | H20 | 180.0° | 179.9° |
| C14 | C16 | C18 | C17 | 0.1° | 0.3° |
| C14 | C16 | C18 | CL | 180.0° | 180.0° |
| C15 | C17 | C18 | C16 | 0.0° | 0.3° |
| C15 | C17 | C18 | H21 | 180.0° | 180.0° |
| C15 | C17 | C18 | CL | 179.9° | 180.0° |
| C16 | C18 | C17 | CL | 179.9° | 179.7° |
| C18 | C16 | C14 | H18 | 179.7° | 180.0° |
| C16 | C18 | C17 | H21 | 179.9° | 179.7° |
| C18 | C17 | C15 | H19 | 179.9° | 180.0° |
| C17 | C18 | C16 | H20 | 179.9° | 179.8° |
| CL | C18 | C16 | H20 | 0.0° | 0.1° |
| CL | C18 | C17 | H21 | 0.1° | 0.1° |
| H3 | C | C2 | H8 | 96.2° | 37.5° |
| H3 | C | C2 | H9 | 24.8° | 85.6° |
| H4 | C | C2 | H8 | 25.0° | 160.4° |
| H4 | C | C2 | H9 | 145.9° | 37.3° |
| H6 | C1 | C3 | H10 | 126.2° | 0.7° |
| H6 | C1 | C3 | H11 | 4.9° | 122.8° |
| H7 | C1 | C3 | H10 | 5.8° | 120.7° |
| H7 | C1 | C3 | H11 | 115.5° | 1.5° |
| H8 | C2 | C3 | H10 | 18.6° | 144.6° |
| H8 | C2 | C3 | H11 | 102.7° | 22.4° |
| H9 | C2 | C3 | H10 | 139.6° | 21.3° |
| H9 | C2 | C3 | H11 | 18.2° | 100.8° |
| H14 | C10 | C12 | H16 | 0.0° | 0.0° |
| H15 | C11 | C13 | H17 | 0.2° | 0.1° |
| H16 | C12 | C13 | H17 | 0.1° | 0.0° |
| H18 | C14 | C16 | H20 | 0.3° | 0.1° |
| H19 | C15 | C17 | H21 | 0.1° | 0.1° |
