KUG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C07 | doub | 1.21Å | 1.19Å | |
| O17 | C09 | doub | 1.21Å | 1.27Å | |
| C07 | C10 | sing | 1.51Å | 1.57Å | |
| C07 | C05 | sing | 1.47Å | 1.52Å | |
| C06 | C05 | doub | 1.40Å | 1.51Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.51Å | Aromatic |
| C09 | C08 | sing | 1.51Å | 1.54Å | |
| C09 | O15 | sing | 1.34Å | 1.26Å | |
| C10 | C11 | sing | 1.55Å | 1.32Å | |
| C10 | C12 | sing | 1.54Å | 1.65Å | |
| C08 | C11 | sing | 1.53Å | 1.54Å | |
| C05 | C04 | sing | 1.40Å | 1.52Å | Aromatic |
| C01 | C02 | doub | 1.38Å | 1.51Å | Aromatic |
| C11 | C14 | sing | 1.55Å | 1.71Å | |
| C12 | C13 | sing | 1.54Å | 1.59Å | |
| C14 | C13 | sing | 1.54Å | 1.36Å | |
| C04 | C03 | doub | 1.38Å | 1.52Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.52Å | Aromatic |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.08Å | 1.08Å | |
| C02 | H8 | sing | 1.08Å | 1.08Å | |
| C03 | H9 | sing | 1.08Å | 1.08Å | |
| C04 | H10 | sing | 1.08Å | 1.08Å | |
| C06 | H11 | sing | 1.08Å | 1.08Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| O15 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C07 | C10 | 118.7° | 120.0° |
| O16 | C07 | C05 | 117.1° | 120.0° |
| O17 | C09 | C08 | 120.5° | 119.9° |
| O17 | C09 | O15 | 118.7° | 120.1° |
| C10 | C07 | C05 | 124.2° | 120.0° |
| C07 | C10 | C11 | 111.6° | 110.5° |
| C07 | C10 | C12 | 113.9° | 110.5° |
| C07 | C10 | H14 | 108.6° | 110.4° |
| C07 | C05 | C06 | 116.6° | 120.1° |
| C07 | C05 | C04 | 122.7° | 120.2° |
| C05 | C06 | C01 | 119.9° | 119.8° |
| C06 | C05 | C04 | 120.7° | 119.7° |
| C05 | C06 | H11 | 120.1° | 120.1° |
| C06 | C01 | C02 | 120.2° | 120.2° |
| C06 | C01 | H7 | 119.9° | 119.9° |
| C01 | C06 | H11 | 120.1° | 120.1° |
| C08 | C09 | O15 | 120.8° | 120.0° |
| C09 | C08 | C11 | 113.6° | 109.5° |
| C09 | C08 | H12 | 108.5° | 109.5° |
| C09 | C08 | H13 | 108.4° | 109.5° |
| C09 | O15 | H16 | 109.5° | 117.0° |
| C11 | C10 | C12 | 102.6° | 104.2° |
| C10 | C11 | C08 | 114.0° | 110.8° |
| C10 | C11 | C14 | 102.0° | 102.7° |
| C11 | C10 | H14 | 112.3° | 110.5° |
| C10 | C11 | H15 | 113.1° | 110.8° |
| C10 | C12 | C13 | 102.9° | 106.6° |
| C10 | C12 | H3 | 111.1° | 110.1° |
| C10 | C12 | H4 | 111.1° | 110.1° |
| C12 | C10 | H14 | 107.8° | 110.6° |
| C08 | C11 | C14 | 109.8° | 110.7° |
| C11 | C08 | H12 | 108.4° | 109.5° |
| C11 | C08 | H13 | 108.4° | 109.5° |
| C08 | C11 | H15 | 109.8° | 110.7° |
| C05 | C04 | C03 | 118.9° | 119.8° |
| C05 | C04 | H10 | 120.5° | 120.1° |
| C01 | C02 | C03 | 120.0° | 120.4° |
| C02 | C01 | H7 | 119.9° | 119.9° |
| C01 | C02 | H8 | 120.0° | 119.8° |
| C11 | C14 | C13 | 106.9° | 104.2° |
| C11 | C14 | H1 | 110.1° | 110.5° |
| C11 | C14 | H2 | 110.1° | 110.6° |
| C14 | C11 | H15 | 107.6° | 110.9° |
| C12 | C13 | C14 | 106.1° | 106.6° |
| C13 | C12 | H3 | 111.1° | 110.0° |
| C13 | C12 | H4 | 111.1° | 110.0° |
| C12 | C13 | H5 | 110.3° | 110.0° |
| C12 | C13 | H6 | 110.3° | 110.0° |
| C13 | C14 | H1 | 110.1° | 110.5° |
| C13 | C14 | H2 | 110.1° | 110.5° |
| C14 | C13 | H5 | 110.3° | 110.0° |
| C14 | C13 | H6 | 110.3° | 110.0° |
| C04 | C03 | C02 | 120.2° | 120.2° |
| C04 | C03 | H9 | 119.9° | 120.0° |
| C03 | C04 | H10 | 120.5° | 120.1° |
| C03 | C02 | H8 | 120.0° | 119.9° |
| C02 | C03 | H9 | 119.9° | 119.9° |
| H1 | C14 | H2 | 109.5° | 110.5° |
| H3 | C12 | H4 | 109.5° | 110.0° |
| H5 | C13 | H6 | 109.5° | 110.1° |
| H12 | C08 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C07 | C10 | C05 | 179.9° | 180.0° |
| O16 | C07 | C05 | C06 | 34.3° | 179.8° |
| O16 | C07 | C10 | C11 | 92.8° | 30.0° |
| O16 | C07 | C10 | C12 | 151.6° | 84.8° |
| O16 | C07 | C05 | C04 | 145.2° | 0.0° |
| O16 | C07 | C10 | H14 | 31.5° | 152.5° |
| O17 | C09 | C08 | O15 | 179.0° | 180.0° |
| O17 | C09 | C08 | C11 | 131.0° | 0.0° |
| O17 | C09 | C08 | H12 | 108.4° | 120.0° |
| O17 | C09 | C08 | H13 | 10.4° | 120.0° |
| O17 | C09 | O15 | H16 | 0.0° | 0.0° |
| C10 | C07 | C05 | C06 | 145.6° | 0.2° |
| C07 | C10 | C11 | C12 | 122.4° | 118.7° |
| C07 | C10 | C11 | H14 | 122.2° | 122.5° |
| C07 | C10 | C12 | H14 | 120.6° | 122.6° |
| C07 | C10 | C11 | C08 | 76.9° | 85.1° |
| C10 | C07 | C05 | C04 | 34.9° | 180.0° |
| C07 | C10 | C11 | C14 | 164.8° | 156.6° |
| C07 | C10 | C12 | C13 | 158.3° | 142.3° |
| C07 | C10 | C12 | H3 | 82.8° | 23.0° |
| C07 | C10 | C12 | H4 | 39.3° | 98.4° |
| C07 | C10 | C11 | H15 | 49.5° | 38.2° |
| C07 | C05 | C06 | C04 | 179.5° | 179.8° |
| C07 | C05 | C06 | C01 | 179.6° | 179.7° |
| C05 | C07 | C10 | C11 | 87.4° | 150.0° |
| C05 | C07 | C10 | C12 | 28.2° | 95.2° |
| C07 | C05 | C04 | C03 | 179.8° | 180.0° |
| C07 | C05 | C04 | H10 | 0.2° | 0.1° |
| C07 | C05 | C06 | H11 | 0.3° | 0.2° |
| C05 | C07 | C10 | H14 | 148.3° | 27.5° |
| C05 | C06 | C01 | H11 | 180.0° | 179.6° |
| C05 | C06 | C01 | C02 | 0.6° | 0.5° |
| C06 | C05 | C04 | C03 | 0.3° | 0.2° |
| C05 | C06 | C01 | H7 | 179.4° | 179.8° |
| C06 | C05 | C04 | H10 | 179.7° | 179.8° |
| C01 | C06 | C05 | C04 | 0.9° | 0.5° |
| C06 | C01 | C02 | H7 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 0.2° | 0.2° |
| C06 | C01 | C02 | H8 | 179.8° | 179.7° |
| C09 | C08 | C11 | C10 | 78.4° | 175.0° |
| C09 | C08 | C11 | H12 | 120.6° | 120.0° |
| C09 | C08 | C11 | H13 | 120.6° | 120.0° |
| C09 | C08 | C11 | C14 | 167.8° | 71.7° |
| C09 | C08 | H12 | H13 | 118.1° | 120.0° |
| C09 | C08 | C11 | H15 | 49.7° | 51.7° |
| C08 | C09 | O15 | H16 | 179.0° | 180.0° |
| O15 | C09 | C08 | C11 | 48.0° | 180.0° |
| O15 | C09 | C08 | H12 | 72.6° | 60.0° |
| O15 | C09 | C08 | H13 | 168.6° | 59.9° |
| C11 | C10 | C12 | H14 | 118.7° | 118.7° |
| C10 | C11 | C08 | C14 | 113.8° | 113.3° |
| C10 | C11 | C08 | H15 | 128.1° | 123.3° |
| C10 | C11 | C14 | H15 | 119.3° | 118.4° |
| C11 | C10 | C12 | C13 | 37.5° | 23.6° |
| C10 | C11 | C14 | C13 | 38.2° | 37.9° |
| C10 | C11 | C14 | H1 | 157.8° | 80.8° |
| C10 | C11 | C14 | H2 | 81.4° | 156.6° |
| C11 | C10 | C12 | H3 | 156.5° | 95.7° |
| C11 | C10 | C12 | H4 | 81.4° | 142.9° |
| C10 | C11 | C08 | H12 | 160.9° | 65.0° |
| C10 | C11 | C08 | H13 | 42.2° | 55.0° |
| C12 | C10 | C11 | C08 | 160.8° | 156.2° |
| C12 | C10 | C11 | C14 | 42.4° | 37.9° |
| C10 | C12 | C13 | H3 | 118.9° | 119.3° |
| C10 | C12 | C13 | H4 | 119.0° | 119.3° |
| C10 | C12 | C13 | C14 | 11.7° | 0.0° |
| C10 | C12 | H3 | H4 | 123.0° | 121.5° |
| C10 | C12 | C13 | H5 | 107.7° | 119.3° |
| C10 | C12 | C13 | H6 | 131.2° | 119.3° |
| C12 | C10 | C11 | H15 | 72.9° | 80.5° |
| C08 | C11 | C14 | H15 | 119.5° | 123.3° |
| C08 | C11 | C14 | C13 | 159.4° | 156.3° |
| C08 | C11 | C14 | H1 | 81.0° | 37.6° |
| C08 | C11 | C14 | H2 | 39.8° | 85.0° |
| C11 | C08 | H12 | H13 | 118.1° | 120.0° |
| C08 | C11 | C10 | H14 | 45.3° | 37.4° |
| C05 | C04 | C03 | H10 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 0.5° | 0.0° |
| C05 | C04 | C03 | H9 | 179.5° | 180.0° |
| C04 | C05 | C06 | H11 | 179.1° | 179.9° |
| C01 | C02 | C03 | C04 | 0.7° | 0.1° |
| C01 | C02 | C03 | H8 | 180.0° | 179.9° |
| C01 | C02 | C03 | H9 | 179.3° | 180.0° |
| C02 | C01 | C06 | H11 | 179.4° | 180.0° |
| C11 | C14 | C13 | C12 | 11.9° | 23.6° |
| C11 | C14 | C13 | H1 | 119.6° | 118.7° |
| C11 | C14 | C13 | H2 | 119.6° | 118.8° |
| C11 | C14 | H1 | H2 | 121.2° | 122.7° |
| C11 | C14 | C13 | H5 | 131.4° | 95.7° |
| C11 | C14 | C13 | H6 | 107.5° | 142.9° |
| C14 | C11 | C08 | H12 | 47.2° | 48.4° |
| C14 | C11 | C08 | H13 | 71.6° | 168.3° |
| C14 | C11 | C10 | H14 | 73.0° | 80.9° |
| C12 | C13 | C14 | H5 | 119.5° | 119.3° |
| C12 | C13 | C14 | H6 | 119.5° | 119.3° |
| C12 | C13 | C14 | H1 | 131.6° | 95.1° |
| C12 | C13 | C14 | H2 | 107.6° | 142.4° |
| C13 | C12 | H3 | H4 | 123.1° | 121.4° |
| C12 | C13 | H5 | H6 | 121.5° | 121.4° |
| C13 | C12 | C10 | H14 | 81.1° | 95.1° |
| C13 | C14 | H1 | H2 | 121.2° | 122.5° |
| C14 | C13 | C12 | H3 | 130.7° | 119.3° |
| C14 | C13 | C12 | H4 | 107.2° | 119.3° |
| C14 | C13 | H5 | H6 | 121.6° | 121.4° |
| C13 | C14 | C11 | H15 | 81.1° | 80.5° |
| C04 | C03 | C02 | H9 | 180.0° | 180.0° |
| C04 | C03 | C02 | H8 | 179.3° | 180.0° |
| C03 | C02 | C01 | H7 | 179.8° | 179.9° |
| C02 | C03 | C04 | H10 | 179.5° | 179.9° |
| H1 | C14 | C13 | H5 | 108.9° | 145.7° |
| H1 | C14 | C13 | H6 | 12.1° | 24.2° |
| H1 | C14 | C11 | H15 | 38.5° | 160.9° |
| H2 | C14 | C13 | H5 | 11.8° | 23.1° |
| H2 | C14 | C13 | H6 | 132.9° | 98.3° |
| H2 | C14 | C11 | H15 | 159.3° | 38.3° |
| H3 | C12 | C13 | H5 | 11.2° | 0.0° |
| H3 | C12 | C13 | H6 | 109.8° | 121.4° |
| H3 | C12 | C10 | H14 | 37.8° | 145.6° |
| H4 | C12 | C13 | H5 | 133.3° | 121.4° |
| H4 | C12 | C13 | H6 | 12.3° | 0.0° |
| H4 | C12 | C10 | H14 | 159.9° | 24.2° |
| H7 | C01 | C02 | H8 | 0.2° | 0.0° |
| H7 | C01 | C06 | H11 | 0.6° | 0.2° |
| H8 | C02 | C03 | H9 | 0.7° | 0.1° |
| H9 | C03 | C04 | H10 | 0.5° | 0.1° |
| H12 | C08 | C11 | H15 | 71.0° | 171.7° |
| H13 | C08 | C11 | H15 | 170.3° | 68.3° |
| H14 | C10 | C11 | H15 | 171.7° | 160.6° |
