KIK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.33Å | 1.32Å | |
| C4 | C3 | sing | 1.46Å | 1.48Å | |
| O3 | C3 | doub | 1.21Å | 1.23Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | N1 | sing | 1.47Å | 1.48Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | O1 | sing | 1.43Å | 1.47Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | H3 | sing | 1.01Å | 1.00Å | |
| N1 | H4 | sing | 1.01Å | 1.00Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 119.3° | 120.0° |
| C4 | C5 | H1 | 120.0° | 120.0° |
| C4 | C5 | H2 | 120.0° | 120.0° |
| C5 | C4 | H6 | 120.4° | 120.0° |
| C4 | C3 | O3 | 120.8° | 120.0° |
| C4 | C3 | C2 | 120.3° | 120.0° |
| C3 | C4 | H6 | 120.4° | 120.0° |
| O3 | C3 | C2 | 119.0° | 120.0° |
| C3 | C2 | N1 | 111.5° | 109.5° |
| C3 | C2 | C1 | 106.4° | 109.4° |
| C3 | C2 | H7 | 110.7° | 109.4° |
| N1 | C2 | C1 | 106.6° | 109.5° |
| C2 | N1 | H3 | 109.5° | 111.0° |
| C2 | N1 | H4 | 109.5° | 111.0° |
| N1 | C2 | H7 | 111.0° | 109.5° |
| C2 | C1 | O1 | 104.7° | 109.4° |
| C1 | C2 | H7 | 110.5° | 109.5° |
| C2 | C1 | H8 | 110.6° | 109.5° |
| C2 | C1 | H9 | 110.6° | 109.5° |
| O1 | C1 | H8 | 110.7° | 109.5° |
| O1 | C1 | H9 | 110.6° | 109.5° |
| C1 | O1 | H10 | 109.5° | 114.0° |
| H1 | C5 | H2 | 120.0° | 120.0° |
| H3 | N1 | H4 | 109.5° | 110.9° |
| H8 | C1 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H6 | 180.0° | 179.9° |
| C5 | C4 | C3 | O3 | 164.3° | 0.1° |
| C5 | C4 | C3 | C2 | 15.4° | 180.0° |
| C4 | C5 | H1 | H2 | 180.0° | 179.7° |
| C4 | C3 | O3 | C2 | 179.8° | 179.9° |
| C4 | C3 | C2 | N1 | 99.4° | 164.9° |
| C4 | C3 | C2 | C1 | 144.7° | 75.0° |
| C3 | C4 | C5 | H1 | 0.0° | 0.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.8° |
| C4 | C3 | C2 | H7 | 24.6° | 44.9° |
| O3 | C3 | C2 | N1 | 80.9° | 15.0° |
| O3 | C3 | C2 | C1 | 35.0° | 105.0° |
| O3 | C3 | C4 | H6 | 15.7° | 180.0° |
| O3 | C3 | C2 | H7 | 155.1° | 135.0° |
| C3 | C2 | N1 | C1 | 115.8° | 120.0° |
| C3 | C2 | N1 | H7 | 123.8° | 120.0° |
| C3 | C2 | C1 | H7 | 120.2° | 119.9° |
| C3 | C2 | C1 | O1 | 105.4° | 175.0° |
| C3 | C2 | N1 | H3 | 180.0° | 60.0° |
| C3 | C2 | N1 | H4 | 60.0° | 176.1° |
| C2 | C3 | C4 | H6 | 164.6° | 0.1° |
| C3 | C2 | C1 | H8 | 13.9° | 65.0° |
| C3 | C2 | C1 | H9 | 135.4° | 55.0° |
| N1 | C2 | C1 | H7 | 120.7° | 120.1° |
| N1 | C2 | C1 | O1 | 13.7° | 65.0° |
| C2 | N1 | H3 | H4 | 120.0° | 123.9° |
| N1 | C2 | C1 | H8 | 133.0° | 55.0° |
| N1 | C2 | C1 | H9 | 105.5° | 175.0° |
| C2 | C1 | O1 | H8 | 119.3° | 120.0° |
| C2 | C1 | O1 | H9 | 119.2° | 120.0° |
| C1 | C2 | N1 | H3 | 64.2° | 59.9° |
| C1 | C2 | N1 | H4 | 175.8° | 63.9° |
| C2 | C1 | H8 | H9 | 122.2° | 120.0° |
| C2 | C1 | O1 | H10 | 180.0° | 180.0° |
| O1 | C1 | C2 | H7 | 134.4° | 55.1° |
| O1 | C1 | H8 | H9 | 122.2° | 120.0° |
| H1 | C5 | C4 | H6 | 180.0° | 179.9° |
| H2 | C5 | C4 | H6 | 0.0° | 0.4° |
| H3 | N1 | C2 | H7 | 56.1° | 180.0° |
| H4 | N1 | C2 | H7 | 63.8° | 56.1° |
| H7 | C2 | C1 | H8 | 106.3° | 175.1° |
| H7 | C2 | C1 | H9 | 15.2° | 64.9° |
| H8 | C1 | O1 | H10 | 60.8° | 60.0° |
| H9 | C1 | O1 | H10 | 60.7° | 60.0° |
