G6U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S10 | C09 | sing | 1.76Å | 1.63Å | |
| S10 | C12 | sing | 1.76Å | 1.67Å | |
| S10 | O11 | doub | 1.42Å | 1.48Å | |
| C09 | C08 | doub | 1.31Å | 1.34Å | |
| F20 | C18 | sing | 1.40Å | 1.33Å | |
| C12 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| F24 | C22 | sing | 1.40Å | 1.33Å | |
| F21 | C18 | sing | 1.40Å | 1.32Å | |
| F23 | C22 | sing | 1.40Å | 1.33Å | |
| C16 | C18 | sing | 1.51Å | 1.50Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C22 | sing | 1.51Å | 1.51Å | |
| C18 | F19 | sing | 1.40Å | 1.32Å | |
| C22 | F25 | sing | 1.40Å | 1.32Å | |
| C08 | C07 | sing | 1.51Å | 1.52Å | |
| N06 | C07 | sing | 1.47Å | 1.48Å | |
| N06 | C05 | sing | 1.47Å | 1.48Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C02 | C04 | sing | 1.53Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| N06 | H9 | sing | 1.01Å | 1.00Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C02 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C01 | H17 | sing | 1.09Å | 1.10Å | |
| C01 | H18 | sing | 1.09Å | 1.10Å | |
| C03 | H19 | sing | 1.09Å | 1.10Å | |
| C03 | H20 | sing | 1.09Å | 1.10Å | |
| C03 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | S10 | C12 | 99.8° | 103.0° |
| C09 | S10 | O11 | 118.9° | 103.0° |
| S10 | C09 | C08 | 123.0° | 120.0° |
| S10 | C09 | H5 | 118.5° | 120.0° |
| C12 | S10 | O11 | 101.8° | 103.0° |
| S10 | C12 | C17 | 118.6° | 120.0° |
| S10 | C12 | C13 | 123.1° | 120.0° |
| C09 | C08 | C07 | 121.7° | 120.0° |
| C08 | C09 | H5 | 118.5° | 120.0° |
| C09 | C08 | H6 | 119.2° | 120.0° |
| F20 | C18 | F21 | 111.3° | 109.5° |
| F20 | C18 | C16 | 107.8° | 109.5° |
| F20 | C18 | F19 | 107.8° | 109.4° |
| C17 | C12 | C13 | 118.2° | 120.0° |
| C12 | C17 | C16 | 121.0° | 120.0° |
| C12 | C17 | H3 | 119.5° | 120.0° |
| C12 | C13 | C14 | 120.9° | 120.0° |
| C12 | C13 | H2 | 119.6° | 120.0° |
| C17 | C16 | C18 | 122.4° | 120.0° |
| C17 | C16 | C15 | 119.9° | 120.0° |
| C16 | C17 | H3 | 119.5° | 120.0° |
| C13 | C14 | C15 | 119.9° | 120.0° |
| C13 | C14 | C22 | 121.6° | 120.0° |
| C14 | C13 | H2 | 119.6° | 120.0° |
| F24 | C22 | F23 | 108.7° | 109.5° |
| F24 | C22 | C14 | 108.6° | 109.5° |
| F24 | C22 | F25 | 109.6° | 109.5° |
| F21 | C18 | C16 | 110.7° | 109.5° |
| F21 | C18 | F19 | 108.7° | 109.4° |
| F23 | C22 | C14 | 111.2° | 109.5° |
| F23 | C22 | F25 | 109.8° | 109.4° |
| C18 | C16 | C15 | 117.7° | 120.0° |
| C16 | C18 | F19 | 110.6° | 109.5° |
| C16 | C15 | C14 | 120.1° | 120.0° |
| C16 | C15 | H4 | 119.9° | 120.0° |
| C15 | C14 | C22 | 118.5° | 120.0° |
| C14 | C15 | H4 | 119.9° | 120.0° |
| C14 | C22 | F25 | 108.9° | 109.5° |
| C08 | C07 | N06 | 112.0° | 109.5° |
| C07 | C08 | H6 | 119.2° | 120.0° |
| C08 | C07 | H7 | 108.8° | 109.5° |
| C08 | C07 | H8 | 108.8° | 109.4° |
| C07 | N06 | C05 | 112.0° | 111.0° |
| N06 | C07 | H7 | 108.8° | 109.5° |
| N06 | C07 | H8 | 108.8° | 109.5° |
| C07 | N06 | H9 | 108.9° | 111.0° |
| N06 | C05 | C04 | 112.2° | 109.4° |
| C05 | N06 | H9 | 108.9° | 111.0° |
| N06 | C05 | H11 | 108.8° | 109.4° |
| N06 | C05 | H12 | 108.8° | 109.4° |
| C05 | C04 | C02 | 113.4° | 109.4° |
| C04 | C05 | H11 | 108.8° | 109.5° |
| C04 | C05 | H12 | 108.8° | 109.5° |
| C05 | C04 | H13 | 108.4° | 109.5° |
| C05 | C04 | H14 | 108.5° | 109.5° |
| C04 | C02 | C01 | 110.1° | 109.5° |
| C04 | C02 | C03 | 114.2° | 109.5° |
| C02 | C04 | H13 | 108.5° | 109.4° |
| C02 | C04 | H14 | 108.5° | 109.5° |
| C04 | C02 | H15 | 107.1° | 109.4° |
| C01 | C02 | C03 | 110.7° | 109.5° |
| C01 | C02 | H15 | 107.2° | 109.5° |
| C02 | C01 | H16 | 109.5° | 109.5° |
| C02 | C01 | H17 | 109.4° | 109.5° |
| C02 | C01 | H18 | 109.5° | 109.5° |
| C03 | C02 | H15 | 107.2° | 109.5° |
| C02 | C03 | H19 | 109.5° | 109.5° |
| C02 | C03 | H20 | 109.5° | 109.5° |
| C02 | C03 | H21 | 109.5° | 109.5° |
| H7 | C07 | H8 | 109.4° | 109.5° |
| H11 | C05 | H12 | 109.5° | 109.5° |
| H13 | C04 | H14 | 109.5° | 109.5° |
| H16 | C01 | H17 | 109.5° | 109.5° |
| H16 | C01 | H18 | 109.4° | 109.4° |
| H17 | C01 | H18 | 109.5° | 109.5° |
| H19 | C03 | H20 | 109.4° | 109.5° |
| H19 | C03 | H21 | 109.5° | 109.4° |
| H20 | C03 | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | S10 | C12 | O11 | 122.4° | 106.9° |
| S10 | C09 | C08 | H5 | 180.0° | 179.9° |
| C09 | S10 | C12 | C17 | 167.2° | 90.0° |
| C09 | S10 | C12 | C13 | 14.4° | 89.8° |
| S10 | C09 | C08 | C07 | 179.5° | 180.0° |
| S10 | C09 | C08 | H6 | 0.5° | 0.0° |
| C12 | S10 | C09 | C08 | 102.2° | 180.0° |
| S10 | C12 | C17 | C13 | 178.5° | 179.8° |
| S10 | C12 | C17 | C16 | 179.1° | 180.0° |
| S10 | C12 | C13 | C14 | 178.9° | 179.9° |
| S10 | C12 | C13 | H2 | 1.1° | 0.0° |
| S10 | C12 | C17 | H3 | 0.9° | 0.1° |
| C12 | S10 | C09 | H5 | 77.8° | 0.1° |
| O11 | S10 | C09 | C08 | 7.2° | 73.2° |
| O11 | S10 | C12 | C17 | 44.7° | 16.8° |
| O11 | S10 | C12 | C13 | 136.8° | 163.4° |
| O11 | S10 | C09 | H5 | 172.8° | 106.9° |
| C09 | C08 | C07 | H6 | 180.0° | 180.0° |
| C09 | C08 | C07 | N06 | 109.3° | 125.0° |
| C09 | C08 | C07 | H7 | 130.3° | 115.0° |
| C09 | C08 | C07 | H8 | 11.1° | 5.0° |
| F20 | C18 | C16 | C17 | 125.1° | 120.0° |
| F20 | C18 | F21 | C16 | 119.8° | 120.1° |
| F20 | C18 | F21 | F19 | 118.6° | 119.9° |
| F20 | C18 | C16 | F19 | 117.6° | 120.0° |
| F20 | C18 | C16 | C15 | 54.1° | 60.0° |
| C12 | C17 | C16 | H3 | 180.0° | 180.0° |
| C17 | C12 | C13 | C14 | 0.5° | 0.3° |
| C12 | C17 | C16 | C18 | 179.6° | 180.0° |
| C12 | C17 | C16 | C15 | 0.5° | 0.1° |
| C17 | C12 | C13 | H2 | 179.6° | 179.8° |
| C13 | C12 | C17 | C16 | 0.6° | 0.2° |
| C12 | C13 | C14 | H2 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C12 | C13 | C14 | C22 | 179.8° | 180.0° |
| C13 | C12 | C17 | H3 | 179.4° | 179.7° |
| C17 | C16 | C18 | F21 | 3.2° | 120.0° |
| C17 | C16 | C18 | C15 | 179.2° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.3° |
| C17 | C16 | C18 | F19 | 117.2° | 0.0° |
| C17 | C16 | C15 | H4 | 179.9° | 180.0° |
| C13 | C14 | C22 | F24 | 133.7° | 119.9° |
| C13 | C14 | C22 | F23 | 14.1° | 120.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.3° |
| C13 | C14 | C15 | C22 | 180.0° | 180.0° |
| C13 | C14 | C22 | F25 | 107.0° | 0.1° |
| C13 | C14 | C15 | H4 | 180.0° | 180.0° |
| F24 | C22 | F23 | C14 | 119.5° | 120.1° |
| F24 | C22 | F23 | F25 | 119.9° | 120.0° |
| F24 | C22 | C14 | C15 | 46.3° | 60.0° |
| F24 | C22 | C14 | F25 | 119.3° | 120.0° |
| F21 | C18 | C16 | F19 | 120.5° | 120.0° |
| F21 | C18 | C16 | C15 | 176.0° | 60.1° |
| F23 | C22 | C14 | C15 | 165.9° | 60.0° |
| F23 | C22 | C14 | F25 | 121.1° | 119.9° |
| C18 | C16 | C15 | C14 | 179.4° | 179.7° |
| C18 | C16 | C17 | H3 | 0.4° | 0.0° |
| C18 | C16 | C15 | H4 | 0.6° | 0.0° |
| C16 | C15 | C14 | H4 | 180.0° | 179.7° |
| C16 | C15 | C14 | C22 | 180.0° | 179.7° |
| C15 | C16 | C18 | F19 | 63.6° | 180.0° |
| C15 | C16 | C17 | H3 | 179.6° | 180.0° |
| C15 | C14 | C22 | F25 | 73.0° | 180.0° |
| C15 | C14 | C13 | H2 | 179.9° | 179.9° |
| C22 | C14 | C13 | H2 | 0.1° | 0.1° |
| C22 | C14 | C15 | H4 | 0.0° | 0.0° |
| C08 | C07 | N06 | H7 | 120.4° | 120.0° |
| C08 | C07 | N06 | H8 | 120.4° | 120.0° |
| C08 | C07 | N06 | C05 | 46.3° | 180.0° |
| C07 | C08 | C09 | H5 | 0.5° | 0.1° |
| C08 | C07 | H7 | H8 | 118.8° | 120.0° |
| C08 | C07 | N06 | H9 | 166.7° | 56.1° |
| C07 | N06 | C05 | H9 | 120.4° | 123.9° |
| C07 | N06 | C05 | C04 | 162.2° | 180.0° |
| N06 | C07 | C08 | H6 | 70.7° | 55.0° |
| N06 | C07 | H7 | H8 | 118.8° | 120.0° |
| C07 | N06 | C05 | H11 | 77.4° | 60.0° |
| C07 | N06 | C05 | H12 | 41.8° | 60.0° |
| N06 | C05 | C04 | H11 | 120.4° | 120.0° |
| N06 | C05 | C04 | H12 | 120.4° | 120.0° |
| N06 | C05 | C04 | C02 | 148.3° | 180.0° |
| C05 | N06 | C07 | H7 | 74.1° | 60.0° |
| C05 | N06 | C07 | H8 | 166.7° | 60.0° |
| N06 | C05 | H11 | H12 | 118.7° | 120.0° |
| N06 | C05 | C04 | H13 | 91.2° | 60.0° |
| N06 | C05 | C04 | H14 | 27.7° | 60.0° |
| C05 | C04 | C02 | H13 | 120.6° | 120.0° |
| C05 | C04 | C02 | H14 | 120.6° | 120.0° |
| C05 | C04 | C02 | C01 | 175.5° | 175.0° |
| C05 | C04 | C02 | C03 | 50.2° | 65.0° |
| C04 | C05 | N06 | H9 | 41.8° | 56.1° |
| C04 | C05 | H11 | H12 | 118.8° | 120.1° |
| C05 | C04 | H13 | H14 | 118.2° | 120.0° |
| C05 | C04 | C02 | H15 | 68.3° | 55.0° |
| C04 | C02 | C01 | C03 | 127.2° | 120.0° |
| C04 | C02 | C01 | H15 | 116.2° | 120.0° |
| C04 | C02 | C03 | H15 | 118.5° | 120.0° |
| C02 | C04 | C05 | H11 | 27.9° | 60.0° |
| C02 | C04 | C05 | H12 | 91.3° | 60.0° |
| C02 | C04 | H13 | H14 | 118.2° | 120.0° |
| C04 | C02 | C01 | H16 | 180.0° | 59.9° |
| C04 | C02 | C01 | H17 | 60.0° | 180.0° |
| C04 | C02 | C01 | H18 | 60.0° | 60.0° |
| C04 | C02 | C03 | H19 | 180.0° | 60.0° |
| C04 | C02 | C03 | H20 | 60.0° | 60.0° |
| C04 | C02 | C03 | H21 | 60.0° | 180.0° |
| C01 | C02 | C03 | H15 | 116.6° | 120.0° |
| C01 | C02 | C04 | H13 | 54.9° | 55.0° |
| C01 | C02 | C04 | H14 | 63.9° | 65.0° |
| C02 | C01 | H16 | H17 | 120.0° | 120.0° |
| C02 | C01 | H16 | H18 | 120.0° | 120.0° |
| C02 | C01 | H17 | H18 | 120.0° | 120.0° |
| C01 | C02 | C03 | H19 | 55.1° | 60.0° |
| C01 | C02 | C03 | H20 | 175.1° | 180.0° |
| C01 | C02 | C03 | H21 | 64.9° | 60.0° |
| C03 | C02 | C04 | H13 | 70.3° | 175.0° |
| C03 | C02 | C04 | H14 | 170.8° | 55.0° |
| C03 | C02 | C01 | H16 | 52.8° | 60.0° |
| C03 | C02 | C01 | H17 | 67.2° | 60.0° |
| C03 | C02 | C01 | H18 | 172.8° | 180.0° |
| C02 | C03 | H19 | H20 | 120.0° | 120.1° |
| C02 | C03 | H19 | H21 | 120.0° | 120.0° |
| C02 | C03 | H20 | H21 | 120.0° | 120.0° |
| H5 | C09 | C08 | H6 | 179.5° | 179.9° |
| H6 | C08 | C07 | H7 | 49.7° | 65.0° |
| H6 | C08 | C07 | H8 | 168.9° | 175.0° |
| H7 | C07 | N06 | H9 | 46.3° | 176.1° |
| H8 | C07 | N06 | H9 | 72.9° | 63.9° |
| H9 | N06 | C05 | H11 | 162.2° | 176.1° |
| H9 | N06 | C05 | H12 | 78.6° | 63.9° |
| H11 | C05 | C04 | H13 | 148.4° | 180.0° |
| H11 | C05 | C04 | H14 | 92.7° | 59.9° |
| H12 | C05 | C04 | H13 | 29.2° | 59.9° |
| H12 | C05 | C04 | H14 | 148.1° | 180.0° |
| H13 | C04 | C02 | H15 | 171.2° | 65.0° |
| H14 | C04 | C02 | H15 | 52.3° | 175.0° |
| H15 | C02 | C01 | H16 | 63.8° | 179.9° |
| H15 | C02 | C01 | H17 | 176.2° | 60.0° |
| H15 | C02 | C01 | H18 | 56.2° | 60.0° |
| H15 | C02 | C03 | H19 | 61.5° | 180.0° |
| H15 | C02 | C03 | H20 | 58.5° | 59.9° |
| H15 | C02 | C03 | H21 | 178.5° | 60.0° |
| H16 | C01 | H17 | H18 | 120.0° | 119.9° |
| H19 | C03 | H20 | H21 | 120.0° | 119.9° |
