K1V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.52Å | |
| O | C1 | doub | 1.21Å | 1.24Å | |
| C1 | N | sing | 1.35Å | 1.41Å | |
| N | C2 | sing | 1.47Å | 1.52Å | |
| N | C6 | sing | 1.47Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C5 | C7 | sing | 1.51Å | 1.50Å | |
| O1 | C7 | doub | 1.21Å | 1.23Å | |
| C7 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 120.9° | 120.0° |
| C | C1 | N | 119.5° | 120.0° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H9 | 109.4° | 109.5° |
| C1 | C | H10 | 109.5° | 109.5° |
| O | C1 | N | 119.7° | 119.9° |
| C1 | N | C2 | 125.2° | 120.6° |
| C1 | N | C6 | 120.6° | 120.7° |
| C2 | N | C6 | 113.2° | 118.8° |
| N | C2 | C3 | 112.0° | 108.7° |
| N | C2 | H11 | 108.8° | 109.6° |
| N | C2 | H12 | 108.8° | 109.6° |
| N | C6 | C5 | 108.8° | 108.8° |
| N | C6 | H6 | 109.6° | 109.6° |
| N | C6 | H7 | 109.7° | 109.7° |
| C2 | C3 | C4 | 109.7° | 109.3° |
| C3 | C2 | H11 | 108.8° | 109.6° |
| C3 | C2 | H12 | 108.8° | 109.6° |
| C2 | C3 | H13 | 109.4° | 109.5° |
| C2 | C3 | H14 | 109.4° | 109.5° |
| C3 | C4 | C5 | 109.9° | 109.5° |
| C3 | C4 | H3 | 109.4° | 109.4° |
| C3 | C4 | H4 | 109.4° | 109.5° |
| C4 | C3 | H13 | 109.4° | 109.5° |
| C4 | C3 | H14 | 109.4° | 109.5° |
| C6 | C5 | C4 | 109.6° | 109.4° |
| C6 | C5 | C7 | 104.3° | 109.5° |
| C6 | C5 | H5 | 109.9° | 109.5° |
| C5 | C6 | H6 | 109.6° | 109.6° |
| C5 | C6 | H7 | 109.6° | 109.6° |
| C4 | C5 | C7 | 113.2° | 109.5° |
| C5 | C4 | H3 | 109.4° | 109.4° |
| C5 | C4 | H4 | 109.4° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| C5 | C7 | O1 | 122.8° | 119.9° |
| C5 | C7 | N1 | 117.8° | 120.0° |
| C7 | C5 | H5 | 110.2° | 109.4° |
| O1 | C7 | N1 | 119.4° | 120.0° |
| C7 | N1 | H1 | 120.0° | 120.0° |
| C7 | N1 | H2 | 120.0° | 120.0° |
| H1 | N1 | H2 | 120.0° | 120.0° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.4° |
| H8 | C | H10 | 109.5° | 109.5° |
| H9 | C | H10 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.5° | 109.7° |
| H13 | C3 | H14 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | N | 179.3° | 180.0° |
| C | C1 | N | C2 | 21.4° | 0.0° |
| C | C1 | N | C6 | 170.6° | 180.0° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C1 | C | H8 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| O | C1 | N | C2 | 159.3° | 179.9° |
| O | C1 | N | C6 | 8.8° | 0.0° |
| O | C1 | C | H8 | 0.0° | 0.0° |
| O | C1 | C | H9 | 120.0° | 120.0° |
| O | C1 | C | H10 | 120.0° | 120.1° |
| C1 | N | C2 | C6 | 168.8° | 180.0° |
| C1 | N | C2 | C3 | 113.5° | 126.4° |
| C1 | N | C6 | C5 | 109.1° | 126.4° |
| C1 | N | C6 | H6 | 131.0° | 6.6° |
| C1 | N | C6 | H7 | 10.7° | 113.7° |
| N | C1 | C | H8 | 179.3° | 180.0° |
| N | C1 | C | H9 | 59.3° | 60.0° |
| N | C1 | C | H10 | 60.7° | 60.0° |
| C1 | N | C2 | H11 | 6.8° | 6.7° |
| C1 | N | C2 | H12 | 126.1° | 113.8° |
| N | C2 | C3 | H11 | 120.4° | 119.8° |
| N | C2 | C3 | H12 | 120.4° | 119.7° |
| N | C2 | C3 | C4 | 50.5° | 54.6° |
| C2 | N | C6 | C5 | 60.2° | 53.6° |
| C2 | N | C6 | H6 | 59.7° | 173.4° |
| C2 | N | C6 | H7 | 179.9° | 66.3° |
| N | C2 | H11 | H12 | 118.8° | 120.4° |
| N | C2 | C3 | H13 | 69.5° | 174.6° |
| N | C2 | C3 | H14 | 170.5° | 65.3° |
| C6 | N | C2 | C3 | 55.3° | 53.6° |
| N | C6 | C5 | H6 | 119.9° | 119.8° |
| N | C6 | C5 | H7 | 119.9° | 120.0° |
| N | C6 | C5 | C4 | 62.4° | 54.6° |
| N | C6 | C5 | C7 | 176.0° | 174.6° |
| N | C6 | C5 | H5 | 57.9° | 65.4° |
| N | C6 | H6 | H7 | 120.3° | 120.4° |
| C6 | N | C2 | H11 | 175.6° | 173.4° |
| C6 | N | C2 | H12 | 65.1° | 66.1° |
| C2 | C3 | C4 | H13 | 120.0° | 119.9° |
| C2 | C3 | C4 | H14 | 120.0° | 120.0° |
| C2 | C3 | C4 | C5 | 53.6° | 61.4° |
| C2 | C3 | C4 | H3 | 173.6° | 58.6° |
| C2 | C3 | C4 | H4 | 66.5° | 178.6° |
| C3 | C2 | H11 | H12 | 118.8° | 120.4° |
| C2 | C3 | H13 | H14 | 119.9° | 120.1° |
| C3 | C4 | C5 | C6 | 60.2° | 61.3° |
| C3 | C4 | C5 | H3 | 120.1° | 120.0° |
| C3 | C4 | C5 | H4 | 120.1° | 120.0° |
| C3 | C4 | C5 | C7 | 176.2° | 178.7° |
| C3 | C4 | H3 | H4 | 119.8° | 120.0° |
| C3 | C4 | C5 | H5 | 60.4° | 58.6° |
| C4 | C3 | C2 | H11 | 170.9° | 174.4° |
| C4 | C3 | C2 | H12 | 69.9° | 65.1° |
| C4 | C3 | H13 | H14 | 119.9° | 120.0° |
| C6 | C5 | C4 | C7 | 116.0° | 120.0° |
| C6 | C5 | C4 | H5 | 120.6° | 120.0° |
| C6 | C5 | C7 | H5 | 117.9° | 120.0° |
| C6 | C5 | C7 | O1 | 75.1° | 119.9° |
| C6 | C5 | C7 | N1 | 104.5° | 60.1° |
| C6 | C5 | C4 | H3 | 179.8° | 58.6° |
| C6 | C5 | C4 | H4 | 59.9° | 178.7° |
| C5 | C6 | H6 | H7 | 120.2° | 120.2° |
| C4 | C5 | C7 | H5 | 123.0° | 120.1° |
| C4 | C5 | C7 | O1 | 165.8° | 0.0° |
| C4 | C5 | C7 | N1 | 14.6° | 180.0° |
| C5 | C4 | H3 | H4 | 119.8° | 120.0° |
| C4 | C5 | C6 | H6 | 57.5° | 174.5° |
| C4 | C5 | C6 | H7 | 177.6° | 65.3° |
| C5 | C4 | C3 | H13 | 66.5° | 178.7° |
| C5 | C4 | C3 | H14 | 173.6° | 58.6° |
| C5 | C7 | O1 | N1 | 179.6° | 180.0° |
| C5 | C7 | N1 | H1 | 179.6° | 0.0° |
| C5 | C7 | N1 | H2 | 0.4° | 179.7° |
| C7 | C5 | C4 | H3 | 63.7° | 61.4° |
| C7 | C5 | C4 | H4 | 56.1° | 58.7° |
| C7 | C5 | C6 | H6 | 64.1° | 65.5° |
| C7 | C5 | C6 | H7 | 56.1° | 54.7° |
| O1 | C7 | N1 | H1 | 0.0° | 180.0° |
| O1 | C7 | N1 | H2 | 180.0° | 0.3° |
| O1 | C7 | C5 | H5 | 42.8° | 120.1° |
| C7 | N1 | H1 | H2 | 180.0° | 179.7° |
| N1 | C7 | C5 | H5 | 137.6° | 59.9° |
| H3 | C4 | C5 | H5 | 59.6° | 178.6° |
| H3 | C4 | C3 | H13 | 53.6° | 61.3° |
| H3 | C4 | C3 | H14 | 66.3° | 178.6° |
| H4 | C4 | C5 | H5 | 179.5° | 61.4° |
| H4 | C4 | C3 | H13 | 173.5° | 58.7° |
| H4 | C4 | C3 | H14 | 53.5° | 61.4° |
| H5 | C5 | C6 | H6 | 177.8° | 54.5° |
| H5 | C5 | C6 | H7 | 62.0° | 174.7° |
| H8 | C | H9 | H10 | 120.0° | 120.0° |
| H11 | C2 | C3 | H13 | 50.9° | 65.6° |
| H11 | C2 | C3 | H14 | 69.1° | 54.5° |
| H12 | C2 | C3 | H13 | 170.1° | 54.8° |
| H12 | C2 | C3 | H14 | 50.1° | 175.0° |
