TG2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| O07 | C06 | doub | 1.21Å | 1.26Å | |
| C13 | C12 | doub | 1.38Å | 1.54Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.32Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.32Å | Aromatic |
| O08 | C06 | sing | 1.34Å | 1.25Å | |
| C17 | C14 | sing | 1.48Å | 1.55Å | |
| C17 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.52Å | |
| C14 | C15 | doub | 1.39Å | 1.53Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.54Å | |
| C11 | C16 | doub | 1.40Å | 1.53Å | Aromatic |
| O09 | C10 | sing | 1.35Å | 1.41Å | |
| O09 | C02 | sing | 1.45Å | 1.43Å | |
| C10 | O23 | doub | 1.21Å | 1.18Å | |
| N04 | C05 | sing | 1.49Å | 1.46Å | |
| N04 | C03 | sing | 1.48Å | 1.47Å | |
| C05 | C01 | sing | 1.55Å | 1.50Å | |
| C15 | C16 | sing | 1.38Å | 1.32Å | Aromatic |
| C03 | C02 | sing | 1.54Å | 1.52Å | |
| C02 | C01 | sing | 1.55Å | 1.48Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| N04 | H16 | sing | 1.01Å | 1.00Å | |
| O08 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | C20 | 119.7° | 120.1° |
| C19 | C18 | C17 | 119.6° | 119.8° |
| C19 | C18 | H14 | 120.2° | 120.1° |
| C18 | C19 | H15 | 120.1° | 119.9° |
| C19 | C20 | C21 | 120.4° | 120.2° |
| C19 | C20 | H3 | 119.8° | 119.8° |
| C20 | C19 | H15 | 120.1° | 120.0° |
| C18 | C17 | C14 | 120.2° | 120.1° |
| C18 | C17 | C22 | 120.3° | 119.8° |
| C17 | C18 | H14 | 120.2° | 120.1° |
| O07 | C06 | O08 | 120.5° | 120.0° |
| O07 | C06 | C05 | 119.7° | 120.0° |
| C12 | C13 | C14 | 120.0° | 120.0° |
| C13 | C12 | C11 | 119.2° | 120.0° |
| C12 | C13 | H1 | 120.0° | 120.0° |
| C13 | C12 | H12 | 120.4° | 120.0° |
| C13 | C14 | C17 | 119.6° | 120.0° |
| C13 | C14 | C15 | 120.7° | 120.1° |
| C14 | C13 | H1 | 120.0° | 120.0° |
| C20 | C21 | C22 | 119.5° | 120.1° |
| C21 | C20 | H3 | 119.8° | 119.9° |
| C20 | C21 | H4 | 120.3° | 119.9° |
| C12 | C11 | C10 | 120.1° | 120.0° |
| C12 | C11 | C16 | 120.7° | 119.9° |
| C11 | C12 | H12 | 120.4° | 120.0° |
| O08 | C06 | C05 | 119.9° | 120.0° |
| C06 | O08 | H18 | 109.5° | 117.1° |
| C14 | C17 | C22 | 119.4° | 120.2° |
| C17 | C14 | C15 | 119.7° | 120.0° |
| C17 | C22 | C21 | 120.4° | 119.9° |
| C17 | C22 | H5 | 119.8° | 120.0° |
| C06 | C05 | N04 | 109.1° | 111.0° |
| C06 | C05 | C01 | 109.1° | 110.7° |
| C06 | C05 | H11 | 109.6° | 110.6° |
| C14 | C15 | C16 | 119.4° | 120.1° |
| C14 | C15 | H2 | 120.3° | 120.0° |
| C22 | C21 | H4 | 120.2° | 120.0° |
| C21 | C22 | H5 | 119.8° | 120.0° |
| C10 | C11 | C16 | 119.2° | 120.1° |
| C11 | C10 | O09 | 120.0° | 120.0° |
| C11 | C10 | O23 | 119.6° | 120.0° |
| C11 | C16 | C15 | 120.1° | 120.0° |
| C11 | C16 | H13 | 120.0° | 120.0° |
| C10 | O09 | C02 | 114.8° | 116.9° |
| O09 | C10 | O23 | 120.4° | 120.1° |
| O09 | C02 | C03 | 108.4° | 110.4° |
| O09 | C02 | C01 | 109.7° | 110.3° |
| O09 | C02 | H8 | 111.3° | 110.3° |
| C05 | N04 | C03 | 108.3° | 105.9° |
| N04 | C05 | C01 | 108.8° | 103.0° |
| N04 | C05 | H11 | 110.4° | 110.7° |
| C05 | N04 | H16 | 109.7° | 110.9° |
| N04 | C03 | C02 | 104.0° | 107.1° |
| N04 | C03 | H9 | 110.9° | 109.9° |
| N04 | C03 | H10 | 110.8° | 110.1° |
| C03 | N04 | H16 | 109.8° | 111.0° |
| C05 | C01 | C02 | 103.8° | 103.1° |
| C05 | C01 | H6 | 110.9° | 110.7° |
| C05 | C01 | H7 | 110.9° | 110.8° |
| C01 | C05 | H11 | 109.8° | 110.7° |
| C16 | C15 | H2 | 120.3° | 120.0° |
| C15 | C16 | H13 | 120.0° | 120.1° |
| C03 | C02 | C01 | 106.9° | 105.1° |
| C03 | C02 | H8 | 109.9° | 110.3° |
| C02 | C03 | H9 | 110.8° | 109.9° |
| C02 | C03 | H10 | 110.8° | 109.9° |
| C02 | C01 | H6 | 110.9° | 110.7° |
| C02 | C01 | H7 | 110.9° | 110.7° |
| C01 | C02 | H8 | 110.5° | 110.3° |
| H6 | C01 | H7 | 109.4° | 110.7° |
| H9 | C03 | H10 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | C20 | H15 | 180.0° | 180.0° |
| C19 | C18 | C17 | H14 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.0° | 0.3° |
| C19 | C18 | C17 | C14 | 179.7° | 179.9° |
| C19 | C18 | C17 | C22 | 0.3° | 0.2° |
| C18 | C19 | C20 | H3 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.1° | 0.0° |
| C19 | C20 | C21 | H3 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.2° | 0.3° |
| C19 | C20 | C21 | H4 | 179.8° | 179.7° |
| C20 | C19 | C18 | H14 | 179.9° | 180.0° |
| C18 | C17 | C14 | C13 | 42.3° | 0.3° |
| C18 | C17 | C14 | C22 | 180.0° | 179.7° |
| C18 | C17 | C14 | C15 | 138.3° | 179.7° |
| C18 | C17 | C22 | C21 | 0.5° | 0.3° |
| C18 | C17 | C22 | H5 | 179.5° | 179.7° |
| C17 | C18 | C19 | H15 | 179.9° | 180.0° |
| O07 | C06 | O08 | C05 | 179.9° | 180.0° |
| O07 | C06 | C05 | N04 | 54.6° | 13.8° |
| O07 | C06 | C05 | C01 | 173.4° | 100.0° |
| O07 | C06 | C05 | H11 | 66.4° | 137.0° |
| O07 | C06 | O08 | H18 | 0.0° | 0.1° |
| C12 | C13 | C14 | H1 | 180.0° | 179.7° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C12 | C13 | C14 | C17 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.6° | 0.1° |
| C13 | C12 | C11 | C10 | 179.7° | 180.0° |
| C13 | C12 | C11 | C16 | 0.2° | 0.0° |
| C14 | C13 | C12 | C11 | 0.3° | 0.0° |
| C13 | C14 | C17 | C15 | 179.4° | 180.0° |
| C13 | C14 | C17 | C22 | 137.7° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.1° |
| C13 | C14 | C15 | H2 | 179.8° | 180.0° |
| C14 | C13 | C12 | H12 | 179.7° | 180.0° |
| C20 | C21 | C22 | C17 | 0.4° | 0.0° |
| C20 | C21 | C22 | H4 | 180.0° | 180.0° |
| C20 | C21 | C22 | H5 | 179.5° | 180.0° |
| C21 | C20 | C19 | H15 | 180.0° | 179.7° |
| C12 | C11 | C10 | C16 | 179.5° | 180.0° |
| C12 | C11 | C10 | O09 | 80.6° | 0.2° |
| C12 | C11 | C10 | O23 | 99.3° | 180.0° |
| C12 | C11 | C16 | C15 | 0.5° | 0.0° |
| C11 | C12 | C13 | H1 | 179.7° | 179.7° |
| C12 | C11 | C16 | H13 | 179.5° | 180.0° |
| O08 | C06 | C05 | N04 | 125.2° | 166.3° |
| O08 | C06 | C05 | C01 | 6.5° | 80.0° |
| O08 | C06 | C05 | H11 | 113.8° | 43.1° |
| C14 | C17 | C22 | C21 | 179.5° | 180.0° |
| C17 | C14 | C15 | C16 | 179.7° | 179.9° |
| C17 | C14 | C13 | H1 | 0.0° | 0.3° |
| C17 | C14 | C15 | H2 | 0.4° | 0.1° |
| C14 | C17 | C22 | H5 | 0.5° | 0.0° |
| C14 | C17 | C18 | H14 | 0.3° | 0.1° |
| C22 | C17 | C14 | C15 | 41.8° | 0.0° |
| C17 | C22 | C21 | H5 | 180.0° | 180.0° |
| C17 | C22 | C21 | H4 | 179.6° | 180.0° |
| C22 | C17 | C18 | H14 | 179.7° | 179.8° |
| C06 | C05 | N04 | C01 | 118.9° | 118.5° |
| C06 | C05 | N04 | H11 | 120.5° | 123.2° |
| C06 | C05 | N04 | C03 | 120.9° | 157.7° |
| C06 | C05 | C01 | H11 | 120.1° | 122.9° |
| C06 | C05 | C01 | C02 | 103.1° | 156.1° |
| C06 | C05 | C01 | H6 | 137.8° | 37.7° |
| C06 | C05 | C01 | H7 | 16.0° | 85.5° |
| C06 | C05 | N04 | H16 | 1.1° | 37.2° |
| C05 | C06 | O08 | H18 | 179.9° | 180.0° |
| C14 | C15 | C16 | C11 | 0.3° | 0.0° |
| C14 | C15 | C16 | H2 | 180.0° | 179.9° |
| C15 | C14 | C13 | H1 | 179.4° | 179.7° |
| C14 | C15 | C16 | H13 | 179.7° | 180.0° |
| C22 | C21 | C20 | H3 | 179.8° | 180.0° |
| C11 | C10 | O09 | O23 | 179.9° | 179.8° |
| C11 | C10 | O09 | C02 | 87.8° | 179.7° |
| C10 | C11 | C16 | C15 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 0.3° | 0.1° |
| C10 | C11 | C16 | H13 | 0.0° | 0.0° |
| C16 | C11 | C10 | O09 | 98.9° | 179.8° |
| C16 | C11 | C10 | O23 | 81.2° | 0.0° |
| C11 | C16 | C15 | H13 | 180.0° | 180.0° |
| C11 | C16 | C15 | H2 | 179.7° | 179.9° |
| C16 | C11 | C12 | H12 | 179.8° | 179.9° |
| C10 | O09 | C02 | C03 | 161.1° | 94.3° |
| C10 | O09 | C02 | C01 | 82.5° | 150.0° |
| C10 | O09 | C02 | H8 | 40.2° | 27.9° |
| C02 | O09 | C10 | O23 | 92.3° | 0.0° |
| O09 | C02 | C03 | N04 | 89.4° | 117.7° |
| O09 | C02 | C01 | C05 | 90.1° | 141.0° |
| O09 | C02 | C03 | C01 | 118.2° | 118.9° |
| O09 | C02 | C03 | H8 | 121.8° | 122.2° |
| O09 | C02 | C01 | H8 | 123.1° | 122.1° |
| O09 | C02 | C01 | H6 | 150.8° | 22.6° |
| O09 | C02 | C01 | H7 | 29.0° | 100.5° |
| O09 | C02 | C03 | H9 | 29.7° | 123.0° |
| O09 | C02 | C03 | H10 | 151.4° | 1.8° |
| C05 | N04 | C03 | H16 | 119.8° | 120.4° |
| N04 | C05 | C01 | H11 | 120.9° | 118.3° |
| C05 | N04 | C03 | C02 | 18.5° | 25.3° |
| N04 | C05 | C01 | C02 | 15.9° | 37.4° |
| N04 | C05 | C01 | H6 | 103.2° | 81.0° |
| N04 | C05 | C01 | H7 | 135.0° | 155.8° |
| C05 | N04 | C03 | H9 | 137.6° | 94.0° |
| C05 | N04 | C03 | H10 | 100.7° | 144.7° |
| C03 | N04 | C05 | C01 | 2.0° | 39.1° |
| N04 | C03 | C02 | H9 | 119.1° | 119.3° |
| N04 | C03 | C02 | H10 | 119.1° | 119.5° |
| N04 | C03 | C02 | C01 | 28.8° | 1.2° |
| N04 | C03 | C02 | H8 | 148.7° | 120.1° |
| N04 | C03 | H9 | H10 | 122.6° | 121.3° |
| C03 | N04 | C05 | H11 | 118.6° | 79.2° |
| C05 | C01 | C02 | C03 | 27.3° | 22.0° |
| C05 | C01 | C02 | H6 | 119.1° | 118.4° |
| C05 | C01 | C02 | H7 | 119.1° | 118.5° |
| C05 | C01 | H6 | H7 | 122.6° | 123.2° |
| C05 | C01 | C02 | H8 | 146.8° | 96.9° |
| C01 | C05 | N04 | H16 | 117.8° | 81.3° |
| C03 | C02 | C01 | H8 | 119.5° | 118.9° |
| C03 | C02 | C01 | H6 | 91.8° | 96.4° |
| C03 | C02 | C01 | H7 | 146.4° | 140.5° |
| C02 | C03 | H9 | H10 | 122.5° | 121.1° |
| C02 | C03 | N04 | H16 | 101.3° | 95.1° |
| C02 | C01 | H6 | H7 | 122.6° | 123.1° |
| C01 | C02 | C03 | H9 | 147.9° | 118.1° |
| C01 | C02 | C03 | H10 | 90.4° | 120.8° |
| C02 | C01 | C05 | H11 | 136.8° | 81.0° |
| H1 | C13 | C12 | H12 | 0.3° | 0.4° |
| H2 | C15 | C16 | H13 | 0.3° | 0.1° |
| H3 | C20 | C21 | H4 | 0.1° | 0.0° |
| H3 | C20 | C19 | H15 | 0.0° | 0.0° |
| H4 | C21 | C22 | H5 | 0.4° | 0.1° |
| H6 | C01 | C02 | H8 | 27.7° | 144.7° |
| H6 | C01 | C05 | H11 | 17.7° | 160.7° |
| H7 | C01 | C02 | H8 | 94.1° | 21.6° |
| H7 | C01 | C05 | H11 | 104.1° | 37.5° |
| H8 | C02 | C03 | H9 | 92.1° | 0.8° |
| H8 | C02 | C03 | H10 | 29.6° | 120.3° |
| H9 | C03 | N04 | H16 | 17.8° | 145.5° |
| H10 | C03 | N04 | H16 | 139.6° | 24.3° |
| H11 | C05 | N04 | H16 | 121.6° | 160.4° |
| H14 | C18 | C19 | H15 | 0.1° | 0.0° |
