DCK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.47Å | 1.41Å | |
| N02 | C03 | sing | 1.47Å | 1.40Å | |
| N02 | C04 | sing | 1.47Å | 1.42Å | |
| N02 | C05 | sing | 1.47Å | 1.42Å | |
| C05 | C06 | sing | 1.53Å | 1.51Å | |
| C06 | O07 | sing | 1.43Å | 1.36Å | |
| C06 | C08 | sing | 1.53Å | 1.48Å | |
| C08 | C09 | sing | 1.51Å | 1.50Å | |
| C09 | O10 | doub | 1.21Å | 1.11Å | |
| C09 | O11 | sing | 1.34Å | 1.35Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C03 | H03A | sing | 1.09Å | 1.10Å | |
| C03 | H03B | sing | 1.09Å | 1.10Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| C04 | H04B | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C05 | H05A | sing | 1.09Å | 1.10Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| O07 | HO07 | sing | 0.97Å | 0.95Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H08A | sing | 1.09Å | 1.10Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 104.5° | 109.5° |
| C01 | N02 | C04 | 107.0° | 109.4° |
| C01 | N02 | C05 | 113.7° | 109.5° |
| N02 | C01 | H01 | 109.5° | 109.4° |
| N02 | C01 | H01A | 109.5° | 109.5° |
| N02 | C01 | H01B | 109.4° | 109.5° |
| C03 | N02 | C04 | 109.6° | 109.5° |
| C03 | N02 | C05 | 108.0° | 109.5° |
| N02 | C03 | H03 | 109.5° | 109.4° |
| N02 | C03 | H03A | 109.5° | 109.5° |
| N02 | C03 | H03B | 109.5° | 109.5° |
| C04 | N02 | C05 | 113.6° | 109.4° |
| N02 | C04 | H04 | 109.5° | 109.4° |
| N02 | C04 | H04A | 109.5° | 109.5° |
| N02 | C04 | H04B | 109.5° | 109.5° |
| N02 | C05 | C06 | 125.3° | 109.4° |
| N02 | C05 | H05 | 104.5° | 109.5° |
| N02 | C05 | H05A | 104.5° | 109.5° |
| C05 | C06 | O07 | 118.7° | 109.4° |
| C05 | C06 | C08 | 108.4° | 109.5° |
| C06 | C05 | H05 | 104.5° | 109.5° |
| C06 | C05 | H05A | 104.5° | 109.4° |
| C05 | C06 | H06 | 102.8° | 109.5° |
| O07 | C06 | C08 | 106.1° | 109.4° |
| O07 | C06 | H06 | 105.2° | 109.5° |
| C06 | O07 | HO07 | 109.5° | 114.1° |
| C06 | C08 | C09 | 119.4° | 109.4° |
| C08 | C06 | H06 | 116.1° | 109.5° |
| C06 | C08 | H08 | 106.3° | 109.5° |
| C06 | C08 | H08A | 106.3° | 109.4° |
| C08 | C09 | O10 | 118.0° | 120.0° |
| C08 | C09 | O11 | 122.1° | 120.0° |
| C09 | C08 | H08 | 106.3° | 109.5° |
| C09 | C08 | H08A | 106.3° | 109.5° |
| O10 | C09 | O11 | 117.0° | 120.0° |
| C09 | O11 | HO11 | 109.5° | 117.0° |
| H01 | C01 | H01A | 109.5° | 109.5° |
| H01 | C01 | H01B | 109.5° | 109.5° |
| H01A | C01 | H01B | 109.5° | 109.4° |
| H03 | C03 | H03A | 109.4° | 109.5° |
| H03 | C03 | H03B | 109.5° | 109.5° |
| H03A | C03 | H03B | 109.5° | 109.5° |
| H04 | C04 | H04A | 109.5° | 109.5° |
| H04 | C04 | H04B | 109.5° | 109.5° |
| H04A | C04 | H04B | 109.4° | 109.5° |
| H05 | C05 | H05A | 114.0° | 109.5° |
| H08 | C08 | H08A | 112.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C04 | 114.4° | 120.0° |
| C01 | N02 | C03 | C05 | 121.4° | 120.0° |
| C01 | N02 | C04 | C05 | 126.4° | 120.0° |
| C01 | N02 | C05 | C06 | 110.9° | 54.5° |
| N02 | C01 | H01 | H01A | 120.0° | 120.0° |
| N02 | C01 | H01 | H01B | 120.0° | 120.0° |
| N02 | C01 | H01A | H01B | 120.0° | 120.0° |
| C01 | N02 | C03 | H03 | 180.0° | 69.7° |
| C01 | N02 | C03 | H03A | 60.0° | 170.3° |
| C01 | N02 | C03 | H03B | 60.0° | 50.3° |
| C01 | N02 | C04 | H04 | 180.0° | 60.0° |
| C01 | N02 | C04 | H04A | 60.0° | 180.0° |
| C01 | N02 | C04 | H04B | 60.0° | 60.0° |
| C01 | N02 | C05 | H05 | 9.1° | 174.5° |
| C01 | N02 | C05 | H05A | 129.1° | 65.5° |
| C03 | N02 | C04 | C05 | 120.9° | 120.0° |
| C03 | N02 | C05 | C06 | 133.7° | 65.6° |
| C03 | N02 | C01 | H01 | 180.0° | 60.0° |
| C03 | N02 | C01 | H01A | 60.0° | 180.0° |
| C03 | N02 | C01 | H01B | 60.0° | 60.0° |
| N02 | C03 | H03 | H03A | 120.0° | 120.0° |
| N02 | C03 | H03 | H03B | 120.0° | 120.0° |
| N02 | C03 | H03A | H03B | 120.0° | 120.0° |
| C03 | N02 | C04 | H04 | 67.3° | 180.0° |
| C03 | N02 | C04 | H04A | 52.7° | 60.0° |
| C03 | N02 | C04 | H04B | 172.7° | 60.0° |
| C03 | N02 | C05 | H05 | 106.3° | 54.4° |
| C03 | N02 | C05 | H05A | 13.7° | 174.5° |
| C04 | N02 | C05 | C06 | 11.9° | 174.4° |
| C04 | N02 | C01 | H01 | 63.8° | 180.0° |
| C04 | N02 | C01 | H01A | 56.2° | 60.0° |
| C04 | N02 | C01 | H01B | 176.2° | 60.0° |
| C04 | N02 | C03 | H03 | 65.6° | 50.3° |
| C04 | N02 | C03 | H03A | 174.4° | 69.7° |
| C04 | N02 | C03 | H03B | 54.4° | 170.3° |
| N02 | C04 | H04 | H04A | 120.0° | 120.0° |
| N02 | C04 | H04 | H04B | 120.0° | 120.0° |
| N02 | C04 | H04A | H04B | 120.0° | 120.0° |
| C04 | N02 | C05 | H05 | 131.9° | 65.6° |
| C04 | N02 | C05 | H05A | 108.1° | 54.5° |
| N02 | C05 | C06 | H05 | 120.0° | 120.0° |
| N02 | C05 | C06 | H05A | 120.0° | 120.0° |
| N02 | C05 | C06 | O07 | 52.4° | 66.6° |
| N02 | C05 | C06 | C08 | 173.4° | 173.5° |
| C05 | N02 | C01 | H01 | 62.4° | 60.0° |
| C05 | N02 | C01 | H01A | 177.5° | 60.0° |
| C05 | N02 | C01 | H01B | 57.5° | 179.9° |
| C05 | N02 | C03 | H03 | 58.6° | 170.2° |
| C05 | N02 | C03 | H03A | 61.4° | 50.3° |
| C05 | N02 | C03 | H03B | 178.6° | 69.7° |
| C05 | N02 | C04 | H04 | 53.6° | 60.0° |
| C05 | N02 | C04 | H04A | 173.6° | 60.0° |
| C05 | N02 | C04 | H04B | 66.4° | 180.0° |
| N02 | C05 | H05 | H05A | 113.4° | 120.1° |
| N02 | C05 | C06 | H06 | 63.1° | 53.5° |
| C05 | C06 | O07 | C08 | 122.2° | 119.9° |
| C05 | C06 | O07 | H06 | 114.2° | 120.0° |
| C05 | C06 | C08 | H06 | 115.0° | 120.0° |
| C05 | C06 | C08 | C09 | 146.5° | 175.0° |
| C06 | C05 | H05 | H05A | 113.5° | 120.0° |
| C05 | C06 | O07 | HO07 | 128.8° | 60.0° |
| C05 | C06 | C08 | H08 | 26.6° | 65.0° |
| C05 | C06 | C08 | H08A | 93.5° | 55.1° |
| O07 | C06 | C08 | H06 | 116.5° | 120.1° |
| O07 | C06 | C08 | C09 | 18.0° | 65.1° |
| O07 | C06 | C05 | H05 | 67.6° | 53.5° |
| O07 | C06 | C05 | H05A | 172.3° | 173.5° |
| O07 | C06 | C08 | H08 | 102.0° | 55.0° |
| O07 | C06 | C08 | H08A | 138.0° | 175.0° |
| C06 | C08 | C09 | H08 | 120.0° | 120.0° |
| C06 | C08 | C09 | H08A | 120.0° | 119.9° |
| C06 | C08 | C09 | O10 | 26.4° | 0.1° |
| C06 | C08 | C09 | O11 | 133.8° | 180.0° |
| C08 | C06 | C05 | H05 | 53.4° | 66.5° |
| C08 | C06 | C05 | H05A | 66.6° | 53.5° |
| C08 | C06 | O07 | HO07 | 6.6° | 59.9° |
| C06 | C08 | H08 | H08A | 115.9° | 120.0° |
| C08 | C09 | O10 | O11 | 161.2° | 180.0° |
| C09 | C08 | C06 | H06 | 98.5° | 55.0° |
| C09 | C08 | H08 | H08A | 115.9° | 120.0° |
| C08 | C09 | O11 | HO11 | 160.4° | 179.9° |
| O10 | C09 | C08 | H08 | 93.6° | 119.9° |
| O10 | C09 | C08 | H08A | 146.4° | 120.0° |
| O10 | C09 | O11 | HO11 | 0.0° | 0.0° |
| O11 | C09 | C08 | H08 | 106.2° | 60.0° |
| O11 | C09 | C08 | H08A | 13.8° | 60.1° |
| H01 | C01 | H01A | H01B | 120.0° | 120.0° |
| H03 | C03 | H03A | H03B | 120.0° | 120.0° |
| H04 | C04 | H04A | H04B | 120.0° | 120.0° |
| H05 | C05 | C06 | H06 | 176.9° | 173.5° |
| H05A | C05 | C06 | H06 | 56.9° | 66.5° |
| H06 | C06 | O07 | HO07 | 117.0° | 180.0° |
| H06 | C06 | C08 | H08 | 141.6° | 175.0° |
| H06 | C06 | C08 | H08A | 21.5° | 65.0° |
