GHT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | sing | 1.53Å | 1.58Å | |
| C11 | N09 | sing | 1.47Å | 1.37Å | |
| C10 | N09 | sing | 1.47Å | 1.22Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| N09 | C08 | sing | 1.40Å | 1.49Å | |
| C13 | C14 | doub | 1.36Å | 1.47Å | Aromatic |
| C13 | C20 | sing | 1.40Å | 1.34Å | Aromatic |
| C08 | C20 | doub | 1.46Å | 1.46Å | Aromatic |
| C08 | C07 | sing | 1.36Å | 1.56Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.44Å | Aromatic |
| C20 | C19 | sing | 1.41Å | 1.52Å | Aromatic |
| C07 | C06 | doub | 1.41Å | 1.50Å | Aromatic |
| C15 | O21 | sing | 1.36Å | 1.43Å | |
| C15 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C16 | sing | 1.40Å | 1.43Å | Aromatic |
| C19 | C05 | doub | 1.47Å | 1.54Å | Aromatic |
| C06 | C05 | sing | 1.41Å | 1.49Å | Aromatic |
| C06 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | O17 | sing | 1.36Å | 1.42Å | |
| C05 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| O17 | C18 | sing | 1.43Å | 1.41Å | |
| C04 | C03 | doub | 1.38Å | 1.44Å | Aromatic |
| C23 | C03 | sing | 1.40Å | 1.44Å | Aromatic |
| C23 | O24 | sing | 1.36Å | 1.35Å | |
| C03 | O02 | sing | 1.36Å | 1.42Å | |
| O02 | C01 | sing | 1.43Å | 1.46Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C07 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| O21 | H17 | sing | 0.97Å | 0.95Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| O24 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | N09 | 115.0° | 110.0° |
| C11 | C12 | C13 | 114.2° | 108.7° |
| C12 | C11 | H4 | 108.1° | 109.4° |
| C12 | C11 | H5 | 108.1° | 109.4° |
| C11 | C12 | H6 | 108.3° | 109.6° |
| C11 | C12 | H7 | 108.3° | 109.6° |
| C11 | N09 | C10 | 108.6° | 111.0° |
| C11 | N09 | C08 | 110.2° | 111.7° |
| N09 | C11 | H4 | 108.1° | 109.4° |
| N09 | C11 | H5 | 108.1° | 109.4° |
| C10 | N09 | C08 | 109.9° | 111.0° |
| N09 | C10 | H1 | 109.5° | 109.5° |
| N09 | C10 | H2 | 109.5° | 109.5° |
| N09 | C10 | H3 | 109.5° | 109.5° |
| C12 | C13 | C14 | 117.9° | 121.1° |
| C12 | C13 | C20 | 121.4° | 118.9° |
| C13 | C12 | H6 | 108.3° | 109.6° |
| C13 | C12 | H7 | 108.3° | 109.6° |
| N09 | C08 | C20 | 114.6° | 119.7° |
| N09 | C08 | C07 | 113.7° | 120.2° |
| C14 | C13 | C20 | 120.8° | 120.0° |
| C13 | C14 | C15 | 118.3° | 120.6° |
| C13 | C14 | H13 | 120.8° | 119.7° |
| C13 | C20 | C08 | 117.7° | 120.3° |
| C13 | C20 | C19 | 121.6° | 119.7° |
| C20 | C08 | C07 | 120.3° | 120.1° |
| C08 | C20 | C19 | 120.6° | 120.0° |
| C08 | C07 | C06 | 119.0° | 121.5° |
| C08 | C07 | H12 | 120.5° | 119.2° |
| C14 | C15 | O21 | 118.5° | 119.7° |
| C14 | C15 | C16 | 121.6° | 120.6° |
| C15 | C14 | H13 | 120.8° | 119.7° |
| C20 | C19 | C16 | 117.1° | 119.5° |
| C20 | C19 | C05 | 119.5° | 118.7° |
| C07 | C06 | C05 | 120.5° | 120.6° |
| C07 | C06 | C22 | 119.1° | 120.1° |
| C06 | C07 | H12 | 120.5° | 119.2° |
| O21 | C15 | C16 | 119.9° | 119.7° |
| C15 | O21 | H17 | 109.5° | 114.0° |
| C15 | C16 | C19 | 120.5° | 119.4° |
| C15 | C16 | O17 | 117.5° | 120.3° |
| C16 | C19 | C05 | 123.4° | 121.8° |
| C19 | C16 | O17 | 122.0° | 120.3° |
| C19 | C05 | C06 | 119.9° | 119.1° |
| C19 | C05 | C04 | 122.2° | 120.9° |
| C05 | C06 | C22 | 120.3° | 119.2° |
| C06 | C05 | C04 | 118.0° | 120.0° |
| C06 | C22 | C23 | 120.5° | 119.9° |
| C06 | C22 | H18 | 119.7° | 120.1° |
| C16 | O17 | C18 | 113.1° | 117.0° |
| C05 | C04 | C03 | 122.2° | 119.8° |
| C05 | C04 | H11 | 118.9° | 120.1° |
| C22 | C23 | C03 | 119.8° | 120.6° |
| C22 | C23 | O24 | 120.6° | 119.7° |
| C23 | C22 | H18 | 119.7° | 120.0° |
| O17 | C18 | H14 | 109.5° | 109.5° |
| O17 | C18 | H15 | 109.5° | 109.4° |
| O17 | C18 | H16 | 109.5° | 109.5° |
| C04 | C03 | C23 | 119.2° | 120.4° |
| C04 | C03 | O02 | 121.1° | 119.8° |
| C03 | C04 | H11 | 118.9° | 120.0° |
| C03 | C23 | O24 | 119.6° | 119.7° |
| C23 | C03 | O02 | 119.6° | 119.8° |
| C23 | O24 | H19 | 109.5° | 113.9° |
| C03 | O02 | C01 | 116.3° | 117.0° |
| O02 | C01 | H8 | 109.5° | 109.5° |
| O02 | C01 | H9 | 109.4° | 109.5° |
| O02 | C01 | H10 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.4° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.3° |
| H6 | C12 | H7 | 109.5° | 109.8° |
| H8 | C01 | H9 | 109.5° | 109.4° |
| H8 | C01 | H10 | 109.4° | 109.4° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.4° | 109.5° |
| H14 | C18 | H16 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | N09 | H4 | 120.8° | 120.2° |
| C12 | C11 | N09 | H5 | 120.8° | 120.2° |
| C12 | C11 | N09 | C10 | 169.9° | 63.4° |
| C11 | C12 | C13 | H6 | 120.7° | 119.7° |
| C11 | C12 | C13 | H7 | 120.7° | 119.7° |
| C12 | C11 | N09 | C08 | 49.5° | 61.0° |
| C11 | C12 | C13 | C14 | 172.2° | 152.1° |
| C11 | C12 | C13 | C20 | 7.0° | 27.9° |
| C12 | C11 | H4 | H5 | 117.5° | 119.8° |
| C11 | C12 | H6 | H7 | 117.8° | 120.4° |
| C11 | N09 | C10 | C08 | 120.7° | 124.9° |
| N09 | C11 | C12 | C13 | 18.0° | 58.1° |
| C11 | N09 | C08 | C20 | 61.2° | 31.7° |
| C11 | N09 | C08 | C07 | 154.9° | 148.5° |
| C11 | N09 | C10 | H1 | 180.0° | 56.1° |
| C11 | N09 | C10 | H2 | 60.0° | 176.1° |
| C11 | N09 | C10 | H3 | 60.0° | 63.9° |
| N09 | C11 | H4 | H5 | 117.5° | 119.7° |
| N09 | C11 | C12 | H6 | 102.7° | 177.8° |
| N09 | C11 | C12 | H7 | 138.7° | 61.6° |
| C10 | N09 | C08 | C20 | 179.1° | 92.7° |
| C10 | N09 | C08 | C07 | 35.3° | 87.0° |
| N09 | C10 | H1 | H2 | 120.0° | 120.0° |
| N09 | C10 | H1 | H3 | 120.0° | 120.0° |
| N09 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | N09 | C11 | H4 | 49.2° | 56.7° |
| C10 | N09 | C11 | H5 | 69.3° | 176.4° |
| C12 | C13 | C14 | C20 | 179.2° | 180.0° |
| C12 | C13 | C20 | C08 | 3.0° | 0.2° |
| C12 | C13 | C14 | C15 | 179.7° | 179.9° |
| C12 | C13 | C20 | C19 | 179.5° | 179.7° |
| C13 | C12 | C11 | H4 | 102.8° | 178.2° |
| C13 | C12 | C11 | H5 | 138.8° | 62.0° |
| C13 | C12 | H6 | H7 | 117.8° | 120.4° |
| C12 | C13 | C14 | H13 | 0.3° | 0.1° |
| N09 | C08 | C20 | C13 | 36.7° | 0.7° |
| N09 | C08 | C20 | C07 | 141.2° | 179.7° |
| N09 | C08 | C20 | C19 | 146.8° | 179.3° |
| N09 | C08 | C07 | C06 | 147.0° | 179.4° |
| C08 | N09 | C10 | H1 | 59.3° | 179.0° |
| C08 | N09 | C10 | H2 | 60.7° | 59.1° |
| C08 | N09 | C10 | H3 | 179.3° | 61.0° |
| C08 | N09 | C11 | H4 | 71.3° | 178.8° |
| C08 | N09 | C11 | H5 | 170.3° | 59.1° |
| N09 | C08 | C07 | H12 | 33.0° | 0.5° |
| C14 | C13 | C20 | C08 | 177.8° | 179.8° |
| C13 | C14 | C15 | H13 | 180.0° | 180.0° |
| C14 | C13 | C20 | C19 | 1.3° | 0.3° |
| C13 | C14 | C15 | O21 | 179.8° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C14 | C13 | C12 | H6 | 51.5° | 32.4° |
| C14 | C13 | C12 | H7 | 67.1° | 88.2° |
| C13 | C20 | C08 | C19 | 176.6° | 179.9° |
| C13 | C20 | C08 | C07 | 177.9° | 179.6° |
| C20 | C13 | C14 | C15 | 0.5° | 0.1° |
| C13 | C20 | C19 | C16 | 1.5° | 0.3° |
| C13 | C20 | C19 | C05 | 179.4° | 179.7° |
| C20 | C13 | C12 | H6 | 127.7° | 147.6° |
| C20 | C13 | C12 | H7 | 113.7° | 91.8° |
| C20 | C13 | C14 | H13 | 179.5° | 179.9° |
| C20 | C08 | C07 | C06 | 5.5° | 0.3° |
| C08 | C20 | C19 | C16 | 177.9° | 179.8° |
| C08 | C20 | C19 | C05 | 2.9° | 0.2° |
| C20 | C08 | C07 | H12 | 174.5° | 179.8° |
| C07 | C08 | C20 | C19 | 5.5° | 0.4° |
| C08 | C07 | C06 | H12 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 2.7° | 0.1° |
| C08 | C07 | C06 | C22 | 177.4° | 180.0° |
| C14 | C15 | O21 | C16 | 179.8° | 179.9° |
| C14 | C15 | C16 | C19 | 0.2° | 0.1° |
| C14 | C15 | C16 | O17 | 179.9° | 180.0° |
| C14 | C15 | O21 | H17 | 180.0° | 90.0° |
| C20 | C19 | C16 | C15 | 0.9° | 0.1° |
| C20 | C19 | C16 | C05 | 179.1° | 180.0° |
| C20 | C19 | C05 | C06 | 0.2° | 0.0° |
| C20 | C19 | C16 | O17 | 179.3° | 179.8° |
| C20 | C19 | C05 | C04 | 179.5° | 180.0° |
| C07 | C06 | C05 | C19 | 0.2° | 0.1° |
| C07 | C06 | C05 | C22 | 179.9° | 180.0° |
| C07 | C06 | C05 | C04 | 179.5° | 179.9° |
| C07 | C06 | C22 | C23 | 179.4° | 179.9° |
| C07 | C06 | C22 | H18 | 0.6° | 0.1° |
| O21 | C15 | C16 | C19 | 179.5° | 180.0° |
| O21 | C15 | C16 | O17 | 0.2° | 0.1° |
| O21 | C15 | C14 | H13 | 0.1° | 0.0° |
| C15 | C16 | C19 | O17 | 179.7° | 179.9° |
| C15 | C16 | C19 | C05 | 180.0° | 179.9° |
| C15 | C16 | O17 | C18 | 80.8° | 89.9° |
| C16 | C15 | C14 | H13 | 179.9° | 179.9° |
| C16 | C15 | O21 | H17 | 0.3° | 90.1° |
| C16 | C19 | C05 | C06 | 179.3° | 180.0° |
| C16 | C19 | C05 | C04 | 0.5° | 0.1° |
| C19 | C16 | O17 | C18 | 99.5° | 90.0° |
| C19 | C05 | C06 | C04 | 179.7° | 179.9° |
| C19 | C05 | C06 | C22 | 179.9° | 179.9° |
| C05 | C19 | C16 | O17 | 0.2° | 0.2° |
| C19 | C05 | C04 | C03 | 179.9° | 179.9° |
| C19 | C05 | C04 | H11 | 0.1° | 0.1° |
| C05 | C06 | C22 | C23 | 0.5° | 0.1° |
| C06 | C05 | C04 | C03 | 0.2° | 0.1° |
| C06 | C05 | C04 | H11 | 179.8° | 180.0° |
| C05 | C06 | C07 | H12 | 177.3° | 180.0° |
| C05 | C06 | C22 | H18 | 179.5° | 179.9° |
| C22 | C06 | C05 | C04 | 0.4° | 0.2° |
| C06 | C22 | C23 | H18 | 180.0° | 180.0° |
| C06 | C22 | C23 | C03 | 0.4° | 0.1° |
| C06 | C22 | C23 | O24 | 179.8° | 179.9° |
| C22 | C06 | C07 | H12 | 2.6° | 0.0° |
| C16 | O17 | C18 | H14 | 180.0° | 60.0° |
| C16 | O17 | C18 | H15 | 60.0° | 60.1° |
| C16 | O17 | C18 | H16 | 60.0° | 180.0° |
| C05 | C04 | C03 | H11 | 180.0° | 179.9° |
| C05 | C04 | C03 | C23 | 0.1° | 0.0° |
| C05 | C04 | C03 | O02 | 180.0° | 179.9° |
| C22 | C23 | C03 | C04 | 0.2° | 0.0° |
| C22 | C23 | C03 | O24 | 179.9° | 180.0° |
| C22 | C23 | C03 | O02 | 179.9° | 180.0° |
| C22 | C23 | O24 | H19 | 180.0° | 90.0° |
| O17 | C18 | H14 | H15 | 120.0° | 120.0° |
| O17 | C18 | H14 | H16 | 120.0° | 120.0° |
| O17 | C18 | H15 | H16 | 120.0° | 120.0° |
| C04 | C03 | C23 | O02 | 179.9° | 180.0° |
| C04 | C03 | C23 | O24 | 180.0° | 180.0° |
| C04 | C03 | O02 | C01 | 12.1° | 0.0° |
| C23 | C03 | O02 | C01 | 168.0° | 180.0° |
| C23 | C03 | C04 | H11 | 179.9° | 179.9° |
| C03 | C23 | C22 | H18 | 179.6° | 180.0° |
| C03 | C23 | O24 | H19 | 0.2° | 90.0° |
| O24 | C23 | C03 | O02 | 0.1° | 0.0° |
| O24 | C23 | C22 | H18 | 0.2° | 0.1° |
| C03 | O02 | C01 | H8 | 180.0° | 180.0° |
| C03 | O02 | C01 | H9 | 60.0° | 60.0° |
| C03 | O02 | C01 | H10 | 60.0° | 60.1° |
| O02 | C03 | C04 | H11 | 0.0° | 0.1° |
| O02 | C01 | H8 | H9 | 120.0° | 120.1° |
| O02 | C01 | H8 | H10 | 120.0° | 120.0° |
| O02 | C01 | H9 | H10 | 120.0° | 120.1° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H4 | C11 | C12 | H6 | 136.5° | 62.1° |
| H4 | C11 | C12 | H7 | 17.9° | 58.5° |
| H5 | C11 | C12 | H6 | 18.1° | 57.7° |
| H5 | C11 | C12 | H7 | 100.4° | 178.2° |
| H8 | C01 | H9 | H10 | 120.0° | 119.9° |
| H14 | C18 | H15 | H16 | 120.0° | 120.0° |
