G8T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | N05 | sing | 1.47Å | 1.47Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | S08 | sing | 1.81Å | 1.81Å | |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| N05 | C03 | sing | 1.47Å | 1.48Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | O04 | sing | 1.43Å | 1.43Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C15 | C02 | sing | 1.51Å | 1.51Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | C09 | sing | 1.51Å | 1.51Å | |
| C09 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| N05 | H19 | sing | 1.01Å | 1.00Å | |
| O04 | H21 | sing | 0.97Å | 0.95Å | |
| S08 | H22 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C06 | N05 | 108.8° | 109.5° |
| C06 | C07 | S08 | 110.8° | 109.5° |
| C07 | C06 | H15 | 109.6° | 109.5° |
| C07 | C06 | H16 | 109.6° | 109.5° |
| C06 | C07 | H17 | 109.1° | 109.4° |
| C06 | C07 | H18 | 109.1° | 109.5° |
| C06 | N05 | C03 | 112.0° | 111.0° |
| N05 | C06 | H15 | 109.7° | 109.4° |
| N05 | C06 | H16 | 109.6° | 109.5° |
| C06 | N05 | H19 | 108.9° | 111.0° |
| C17 | C18 | C19 | 120.1° | 120.0° |
| C18 | C17 | C16 | 119.8° | 120.0° |
| C17 | C18 | H8 | 119.9° | 120.1° |
| C18 | C17 | H9 | 120.1° | 119.9° |
| C18 | C19 | C20 | 119.9° | 119.9° |
| C18 | C19 | H7 | 120.0° | 120.0° |
| C19 | C18 | H8 | 119.9° | 120.0° |
| S08 | C07 | H17 | 109.1° | 109.5° |
| S08 | C07 | H18 | 109.2° | 109.5° |
| C07 | S08 | H22 | 102.0° | 103.0° |
| C17 | C16 | C15 | 120.4° | 120.0° |
| C16 | C17 | H9 | 120.1° | 120.0° |
| C17 | C16 | H10 | 119.8° | 120.0° |
| C19 | C20 | C15 | 120.3° | 120.0° |
| C19 | C20 | H1 | 119.9° | 119.9° |
| C20 | C19 | H7 | 120.1° | 120.1° |
| N05 | C03 | O04 | 112.0° | 109.5° |
| N05 | C03 | C02 | 109.7° | 109.5° |
| N05 | C03 | H14 | 107.3° | 109.4° |
| C03 | N05 | H19 | 108.8° | 111.0° |
| C16 | C15 | C20 | 119.4° | 120.0° |
| C16 | C15 | C02 | 118.7° | 120.0° |
| C15 | C16 | H10 | 119.8° | 120.0° |
| C20 | C15 | C02 | 121.8° | 120.0° |
| C15 | C20 | H1 | 119.8° | 120.0° |
| O04 | C03 | C02 | 113.0° | 109.4° |
| O04 | C03 | H14 | 107.9° | 109.5° |
| C03 | O04 | H21 | 109.5° | 114.0° |
| C03 | C02 | C15 | 103.9° | 109.5° |
| C03 | C02 | C01 | 109.2° | 109.5° |
| C03 | C02 | C09 | 115.2° | 109.5° |
| C02 | C03 | H14 | 106.6° | 109.5° |
| C15 | C02 | C01 | 109.2° | 109.4° |
| C15 | C02 | C09 | 112.1° | 109.5° |
| C01 | C02 | C09 | 107.2° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.4° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | C09 | C14 | 122.4° | 120.0° |
| C02 | C09 | C10 | 119.1° | 120.0° |
| C14 | C09 | C10 | 118.5° | 120.0° |
| C09 | C14 | C13 | 121.0° | 120.0° |
| C09 | C14 | H6 | 119.5° | 120.0° |
| C09 | C10 | C11 | 120.8° | 120.0° |
| C09 | C10 | H2 | 119.6° | 120.0° |
| C14 | C13 | C12 | 120.1° | 120.0° |
| C14 | C13 | H5 | 120.0° | 120.0° |
| C13 | C14 | H6 | 119.5° | 120.0° |
| C13 | C12 | C11 | 119.5° | 120.0° |
| C13 | C12 | H3 | 120.2° | 120.0° |
| C12 | C13 | H5 | 120.0° | 120.0° |
| C10 | C11 | C12 | 120.2° | 120.0° |
| C11 | C10 | H2 | 119.6° | 120.0° |
| C10 | C11 | H4 | 119.9° | 120.0° |
| C11 | C12 | H3 | 120.2° | 120.0° |
| C12 | C11 | H4 | 119.9° | 120.0° |
| H11 | C01 | H12 | 109.4° | 109.5° |
| H11 | C01 | H13 | 109.4° | 109.6° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H15 | C06 | H16 | 109.5° | 109.5° |
| H17 | C07 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C06 | N05 | H15 | 119.9° | 120.0° |
| C07 | C06 | N05 | H16 | 119.9° | 120.0° |
| C06 | C07 | S08 | H17 | 120.2° | 120.0° |
| C06 | C07 | S08 | H18 | 120.2° | 120.0° |
| C07 | C06 | N05 | C03 | 109.2° | 180.0° |
| C07 | C06 | H15 | H16 | 120.3° | 120.0° |
| C06 | C07 | H17 | H18 | 119.4° | 120.0° |
| C07 | C06 | N05 | H19 | 11.2° | 56.1° |
| C06 | C07 | S08 | H22 | 180.0° | 180.0° |
| N05 | C06 | C07 | S08 | 46.1° | 179.9° |
| C06 | N05 | C03 | H19 | 120.4° | 124.0° |
| C06 | N05 | C03 | O04 | 47.6° | 98.6° |
| C06 | N05 | C03 | C02 | 173.9° | 141.4° |
| C06 | N05 | C03 | H14 | 70.6° | 21.4° |
| N05 | C06 | H15 | H16 | 120.3° | 120.0° |
| N05 | C06 | C07 | H17 | 74.1° | 60.0° |
| N05 | C06 | C07 | H18 | 166.3° | 60.0° |
| C17 | C18 | C19 | H8 | 180.0° | 179.9° |
| C18 | C17 | C16 | H9 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C17 | C16 | C15 | 1.0° | 0.1° |
| C17 | C18 | C19 | H7 | 179.8° | 180.0° |
| C18 | C17 | C16 | H10 | 179.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.4° | 0.0° |
| C18 | C19 | C20 | H7 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 0.5° | 0.0° |
| C18 | C19 | C20 | H1 | 179.5° | 179.8° |
| C19 | C18 | C17 | H9 | 179.7° | 179.9° |
| S08 | C07 | C06 | H15 | 73.9° | 60.0° |
| S08 | C07 | C06 | H16 | 165.9° | 60.0° |
| S08 | C07 | H17 | H18 | 119.4° | 120.0° |
| C17 | C16 | C15 | H10 | 180.0° | 179.9° |
| C17 | C16 | C15 | C20 | 1.4° | 0.1° |
| C17 | C16 | C15 | C02 | 179.1° | 179.8° |
| C16 | C17 | C18 | H8 | 179.6° | 179.9° |
| C19 | C20 | C15 | C16 | 1.1° | 0.0° |
| C19 | C20 | C15 | H1 | 180.0° | 179.8° |
| C19 | C20 | C15 | C02 | 178.9° | 179.7° |
| C20 | C19 | C18 | H8 | 179.8° | 179.9° |
| N05 | C03 | O04 | C02 | 124.5° | 120.0° |
| N05 | C03 | O04 | H14 | 117.9° | 120.0° |
| N05 | C03 | C02 | H14 | 115.9° | 120.0° |
| N05 | C03 | C02 | C15 | 54.8° | 65.7° |
| N05 | C03 | C02 | C01 | 171.3° | 54.2° |
| N05 | C03 | C02 | C09 | 68.2° | 174.3° |
| C03 | N05 | C06 | H15 | 130.9° | 60.0° |
| C03 | N05 | C06 | H16 | 10.7° | 60.0° |
| N05 | C03 | O04 | H21 | 180.0° | 54.5° |
| C16 | C15 | C20 | C02 | 177.7° | 179.7° |
| C16 | C15 | C02 | C03 | 79.9° | 113.5° |
| C16 | C15 | C02 | C01 | 36.5° | 126.6° |
| C16 | C15 | C02 | C09 | 155.1° | 6.6° |
| C16 | C15 | C20 | H1 | 178.9° | 179.7° |
| C15 | C16 | C17 | H9 | 179.0° | 179.9° |
| C20 | C15 | C02 | C03 | 97.9° | 66.8° |
| C20 | C15 | C02 | C01 | 145.8° | 53.1° |
| C20 | C15 | C02 | C09 | 27.1° | 173.1° |
| C15 | C20 | C19 | H7 | 179.4° | 180.0° |
| C20 | C15 | C16 | H10 | 178.6° | 180.0° |
| O04 | C03 | C02 | H14 | 118.3° | 120.0° |
| O04 | C03 | C02 | C15 | 179.4° | 54.3° |
| O04 | C03 | C02 | C01 | 63.0° | 174.3° |
| O04 | C03 | C02 | C09 | 57.6° | 65.7° |
| O04 | C03 | N05 | H19 | 72.8° | 25.3° |
| C03 | C02 | C15 | C01 | 116.4° | 120.0° |
| C03 | C02 | C15 | C09 | 125.0° | 120.0° |
| C03 | C02 | C01 | C09 | 125.4° | 120.0° |
| C03 | C02 | C09 | C14 | 1.2° | 174.5° |
| C03 | C02 | C09 | C10 | 179.9° | 5.5° |
| C03 | C02 | C01 | H11 | 180.0° | 59.9° |
| C03 | C02 | C01 | H12 | 60.0° | 60.0° |
| C03 | C02 | C01 | H13 | 60.0° | 180.0° |
| C02 | C03 | N05 | H19 | 53.5° | 94.7° |
| C02 | C03 | O04 | H21 | 55.5° | 65.6° |
| C15 | C02 | C01 | C09 | 121.7° | 120.0° |
| C15 | C02 | C09 | C14 | 119.7° | 65.4° |
| C15 | C02 | C09 | C10 | 61.5° | 114.5° |
| C02 | C15 | C20 | H1 | 1.1° | 0.1° |
| C02 | C15 | C16 | H10 | 0.8° | 0.3° |
| C15 | C02 | C01 | H11 | 67.1° | 60.0° |
| C15 | C02 | C01 | H12 | 52.9° | 180.0° |
| C15 | C02 | C01 | H13 | 173.0° | 60.0° |
| C15 | C02 | C03 | H14 | 61.1° | 174.3° |
| C01 | C02 | C09 | C14 | 120.4° | 54.5° |
| C01 | C02 | C09 | C10 | 58.4° | 125.5° |
| C02 | C01 | H11 | H12 | 120.0° | 119.9° |
| C02 | C01 | H11 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C01 | C02 | C03 | H14 | 55.4° | 65.7° |
| C02 | C09 | C14 | C10 | 178.8° | 180.0° |
| C02 | C09 | C14 | C13 | 179.7° | 179.4° |
| C02 | C09 | C10 | C11 | 179.9° | 180.0° |
| C02 | C09 | C10 | H2 | 0.1° | 0.3° |
| C02 | C09 | C14 | H6 | 0.3° | 0.3° |
| C09 | C02 | C01 | H11 | 54.6° | 180.0° |
| C09 | C02 | C01 | H12 | 174.6° | 60.0° |
| C09 | C02 | C01 | H13 | 65.3° | 60.0° |
| C09 | C02 | C03 | H14 | 175.9° | 54.3° |
| C09 | C14 | C13 | H6 | 180.0° | 179.2° |
| C09 | C14 | C13 | C12 | 0.4° | 0.9° |
| C14 | C09 | C10 | C11 | 1.0° | 0.0° |
| C14 | C09 | C10 | H2 | 179.0° | 179.7° |
| C09 | C14 | C13 | H5 | 179.6° | 179.7° |
| C10 | C09 | C14 | C13 | 0.9° | 0.6° |
| C09 | C10 | C11 | H2 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.6° | 0.2° |
| C09 | C10 | C11 | H4 | 179.4° | 179.7° |
| C10 | C09 | C14 | H6 | 179.1° | 179.8° |
| C14 | C13 | C12 | H5 | 180.0° | 179.5° |
| C14 | C13 | C12 | C11 | 0.0° | 0.6° |
| C14 | C13 | C12 | H3 | 180.0° | 179.5° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C13 | C12 | C11 | H3 | 180.0° | 179.9° |
| C13 | C12 | C11 | H4 | 179.9° | 180.0° |
| C12 | C13 | C14 | H6 | 179.6° | 180.0° |
| C10 | C11 | C12 | H4 | 180.0° | 179.9° |
| C10 | C11 | C12 | H3 | 179.9° | 180.0° |
| C12 | C11 | C10 | H2 | 179.4° | 179.9° |
| C11 | C12 | C13 | H5 | 180.0° | 179.9° |
| H1 | C20 | C19 | H7 | 0.6° | 0.3° |
| H2 | C10 | C11 | H4 | 0.6° | 0.0° |
| H3 | C12 | C11 | H4 | 0.1° | 0.1° |
| H3 | C12 | C13 | H5 | 0.0° | 0.0° |
| H5 | C13 | C14 | H6 | 0.4° | 0.5° |
| H7 | C19 | C18 | H8 | 0.2° | 0.1° |
| H8 | C18 | C17 | H9 | 0.4° | 0.0° |
| H9 | C17 | C16 | H10 | 1.0° | 0.0° |
| H11 | C01 | H12 | H13 | 119.9° | 120.1° |
| H14 | C03 | N05 | H19 | 169.0° | 145.3° |
| H14 | C03 | O04 | H21 | 62.1° | 174.4° |
| H15 | C06 | C07 | H17 | 165.9° | 60.0° |
| H15 | C06 | C07 | H18 | 46.3° | 180.0° |
| H15 | C06 | N05 | H19 | 108.7° | 176.0° |
| H16 | C06 | C07 | H17 | 45.7° | 180.0° |
| H16 | C06 | C07 | H18 | 73.9° | 60.0° |
| H16 | C06 | N05 | H19 | 131.1° | 64.0° |
| H17 | C07 | S08 | H22 | 59.8° | 60.1° |
| H18 | C07 | S08 | H22 | 59.8° | 60.0° |
