RXK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 0.00Å | 1.53Å | |
| C01 | C06 | sing | 0.00Å | 1.52Å | |
| C03 | C04 | sing | 0.00Å | 1.54Å | |
| C06 | C05 | sing | 0.00Å | 1.53Å | |
| C04 | C05 | sing | 0.00Å | 1.54Å | |
| C04 | C07 | sing | 0.00Å | 1.54Å | |
| C07 | O01 | doub | 0.00Å | 1.26Å | |
| C07 | O02 | sing | 0.00Å | 1.26Å | |
| C01 | H1 | sing | 0.00Å | 1.10Å | |
| C01 | H2 | sing | 0.00Å | 1.10Å | |
| C02 | H3 | sing | 0.00Å | 1.10Å | |
| O02 | H4 | sing | 0.00Å | 0.95Å | |
| C03 | H5 | sing | 0.00Å | 1.10Å | |
| C04 | H6 | sing | 0.00Å | 1.10Å | |
| C05 | H7 | sing | 0.00Å | 1.10Å | |
| C05 | H8 | sing | 0.00Å | 1.10Å | |
| C06 | H9 | sing | 0.00Å | 1.10Å | |
| C06 | H10 | sing | 0.00Å | 1.10Å | |
| C02 | C03 | sing | 0.00Å | 1.52Å | |
| C02 | H11 | sing | 0.00Å | 1.10Å | |
| C03 | H12 | sing | 0.00Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 116.1° | 90.0° |
| C02 | C01 | H1 | 107.8° | 90.0° |
| C02 | C01 | H2 | 107.8° | 90.0° |
| C01 | C02 | H3 | 106.4° | 90.0° |
| C01 | C02 | C03 | 121.4° | 90.0° |
| C01 | C02 | H11 | 106.4° | 90.0° |
| C01 | C06 | C05 | 116.9° | 90.0° |
| C06 | C01 | H1 | 107.8° | 90.0° |
| C06 | C01 | H2 | 107.8° | 90.0° |
| C01 | C06 | H9 | 107.6° | 90.0° |
| C01 | C06 | H10 | 107.6° | 90.0° |
| C03 | C04 | C05 | 115.0° | 90.0° |
| C03 | C04 | C07 | 113.1° | 90.0° |
| C04 | C03 | H5 | 107.8° | 90.0° |
| C03 | C04 | H6 | 106.8° | 90.0° |
| C04 | C03 | C02 | 116.2° | 90.0° |
| C04 | C03 | H12 | 107.8° | 90.0° |
| C06 | C05 | C04 | 119.6° | 90.0° |
| C06 | C05 | H7 | 106.9° | 90.0° |
| C06 | C05 | H8 | 106.9° | 90.0° |
| C05 | C06 | H9 | 107.6° | 90.0° |
| C05 | C06 | H10 | 107.6° | 90.0° |
| C05 | C04 | C07 | 108.2° | 90.0° |
| C05 | C04 | H6 | 106.6° | 90.0° |
| C04 | C05 | H7 | 106.9° | 90.0° |
| C04 | C05 | H8 | 106.9° | 90.0° |
| C04 | C07 | O01 | 124.0° | 90.0° |
| C04 | C07 | O02 | 117.4° | 90.0° |
| C07 | C04 | H6 | 106.7° | 90.0° |
| O01 | C07 | O02 | 118.6° | 90.0° |
| C07 | O02 | H4 | 109.5° | 90.0° |
| H1 | C01 | H2 | 109.5° | 90.0° |
| H3 | C02 | C03 | 106.4° | 90.0° |
| H3 | C02 | H11 | 109.5° | 90.0° |
| H5 | C03 | C02 | 107.8° | 90.0° |
| H5 | C03 | H12 | 109.5° | 90.0° |
| H7 | C05 | H8 | 109.5° | 90.0° |
| H9 | C06 | H10 | 109.5° | 90.0° |
| C03 | C02 | H11 | 106.4° | 90.0° |
| C02 | C03 | H12 | 107.8° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | H1 | 120.9° | 90.0° |
| C02 | C01 | C06 | H2 | 121.0° | 90.0° |
| C01 | C02 | C03 | C04 | 13.0° | 90.0° |
| C02 | C01 | C06 | C05 | 15.7° | 90.0° |
| C02 | C01 | H1 | H2 | 117.0° | 90.0° |
| C01 | C02 | H3 | C03 | 130.8° | 90.0° |
| C01 | C02 | H3 | H11 | 114.6° | 90.0° |
| C01 | C02 | C03 | H5 | 107.9° | 90.0° |
| C02 | C01 | C06 | H9 | 136.7° | 90.0° |
| C02 | C01 | C06 | H10 | 105.4° | 90.0° |
| C01 | C02 | C03 | H11 | 121.6° | 90.0° |
| C01 | C02 | C03 | H12 | 134.0° | 90.0° |
| C01 | C06 | C05 | H9 | 121.1° | 90.0° |
| C01 | C06 | C05 | H10 | 121.1° | 90.0° |
| C01 | C06 | C05 | C04 | 19.4° | 90.0° |
| C06 | C01 | H1 | H2 | 117.0° | 90.0° |
| C06 | C01 | C02 | H3 | 88.9° | 90.0° |
| C01 | C06 | C05 | H7 | 140.8° | 90.0° |
| C01 | C06 | C05 | H8 | 102.1° | 90.0° |
| C01 | C06 | H9 | H10 | 116.6° | 90.0° |
| C06 | C01 | C02 | C03 | 32.8° | 90.0° |
| C06 | C01 | C02 | H11 | 154.5° | 90.0° |
| C03 | C04 | C05 | C06 | 38.9° | 90.0° |
| C03 | C04 | C05 | C07 | 127.5° | 90.0° |
| C03 | C04 | C05 | H6 | 118.1° | 90.0° |
| C03 | C04 | C07 | H6 | 117.0° | 90.0° |
| C03 | C04 | C07 | O01 | 12.2° | 90.0° |
| C03 | C04 | C07 | O02 | 167.8° | 90.0° |
| C04 | C03 | C02 | H3 | 108.6° | 90.0° |
| C04 | C03 | H5 | C02 | 126.1° | 90.0° |
| C04 | C03 | H5 | H12 | 116.9° | 90.0° |
| C03 | C04 | C05 | H7 | 160.3° | 90.0° |
| C03 | C04 | C05 | H8 | 82.6° | 90.0° |
| C04 | C03 | C02 | H12 | 121.0° | 90.0° |
| C04 | C03 | C02 | H11 | 134.7° | 90.0° |
| C06 | C05 | C04 | H7 | 121.4° | 90.0° |
| C06 | C05 | C04 | H8 | 121.4° | 90.0° |
| C06 | C05 | C04 | C07 | 166.3° | 90.0° |
| C05 | C06 | C01 | H1 | 105.3° | 90.0° |
| C05 | C06 | C01 | H2 | 136.6° | 90.0° |
| C06 | C05 | C04 | H6 | 79.3° | 90.0° |
| C06 | C05 | H7 | H8 | 115.4° | 90.0° |
| C05 | C06 | H9 | H10 | 116.6° | 90.0° |
| C05 | C04 | C07 | H6 | 114.4° | 90.0° |
| C05 | C04 | C07 | O01 | 140.7° | 90.0° |
| C05 | C04 | C07 | O02 | 39.2° | 90.0° |
| C05 | C04 | C03 | H5 | 142.8° | 90.0° |
| C04 | C05 | H7 | H8 | 115.4° | 90.0° |
| C04 | C05 | C06 | H9 | 101.7° | 90.0° |
| C04 | C05 | C06 | H10 | 140.4° | 90.0° |
| C05 | C04 | C03 | C02 | 21.8° | 90.0° |
| C05 | C04 | C03 | H12 | 99.1° | 90.0° |
| C04 | C07 | O01 | O02 | 179.9° | 90.0° |
| C04 | C07 | O02 | H4 | 179.9° | 90.0° |
| C07 | C04 | C03 | H5 | 92.2° | 90.0° |
| C07 | C04 | C05 | H7 | 72.2° | 90.0° |
| C07 | C04 | C05 | H8 | 44.9° | 90.0° |
| C07 | C04 | C03 | C02 | 146.8° | 90.0° |
| C07 | C04 | C03 | H12 | 25.8° | 90.0° |
| O01 | C07 | O02 | H4 | 0.0° | 90.0° |
| O01 | C07 | C04 | H6 | 104.9° | 90.0° |
| O02 | C07 | C04 | H6 | 75.2° | 90.0° |
| H1 | C01 | C02 | H3 | 150.2° | 90.0° |
| H1 | C01 | C06 | H9 | 15.8° | 90.0° |
| H1 | C01 | C06 | H10 | 133.6° | 90.0° |
| H1 | C01 | C02 | C03 | 88.1° | 90.0° |
| H1 | C01 | C02 | H11 | 33.5° | 90.0° |
| H2 | C01 | C02 | H3 | 32.1° | 90.0° |
| H2 | C01 | C06 | H9 | 102.3° | 90.0° |
| H2 | C01 | C06 | H10 | 15.6° | 90.0° |
| H2 | C01 | C02 | C03 | 153.8° | 90.0° |
| H2 | C01 | C02 | H11 | 84.6° | 90.0° |
| H3 | C02 | C03 | H5 | 130.4° | 90.0° |
| H3 | C02 | C03 | H11 | 116.7° | 90.0° |
| H3 | C02 | C03 | H12 | 12.3° | 90.0° |
| H5 | C03 | C04 | H6 | 24.8° | 90.0° |
| H5 | C03 | C02 | H12 | 118.1° | 90.0° |
| H5 | C03 | C02 | H11 | 13.7° | 90.0° |
| H6 | C04 | C05 | H7 | 42.2° | 90.0° |
| H6 | C04 | C05 | H8 | 159.3° | 90.0° |
| H6 | C04 | C03 | C02 | 96.2° | 90.0° |
| H6 | C04 | C03 | H12 | 142.8° | 90.0° |
| H7 | C05 | C06 | H9 | 19.7° | 90.0° |
| H7 | C05 | C06 | H10 | 98.1° | 90.0° |
| H8 | C05 | C06 | H9 | 136.9° | 90.0° |
| H8 | C05 | C06 | H10 | 19.0° | 90.0° |
| H11 | C02 | C03 | H12 | 104.4° | 90.0° |






