LKC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.40Å | |
| N1 | C6 | sing | 1.36Å | 1.38Å | |
| N1 | C1' | sing | 1.46Å | 1.49Å | |
| C2 | N3 | sing | 1.33Å | 1.36Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| N3 | C4 | doub | 1.33Å | 1.34Å | |
| C4 | C5 | sing | 1.41Å | 1.45Å | |
| C4 | N4 | sing | 1.38Å | 1.34Å | |
| C5 | C6 | doub | 1.35Å | 1.36Å | |
| C5 | C5A | sing | 1.51Å | 1.52Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N4 | H41 | sing | 0.97Å | 1.01Å | |
| N4 | H42 | sing | 0.97Å | 1.01Å | |
| C1' | C2' | sing | 1.56Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | H1' | sing | 1.09Å | 1.09Å | |
| C2' | C3' | sing | 1.57Å | 1.52Å | |
| C2' | O2' | sing | 1.49Å | 1.42Å | |
| C2' | H2'1 | sing | 1.09Å | 1.09Å | |
| C3' | C4' | sing | 1.57Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| C4' | O4' | sing | 1.46Å | 1.43Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | C6' | sing | 1.56Å | 1.54Å | |
| O3' | H3T | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.41Å | |
| C5' | H5'1 | sing | 1.09Å | 1.09Å | |
| C5' | H5'2 | sing | 1.09Å | 1.09Å | |
| O5' | H5T | sing | 0.97Å | 0.96Å | |
| C5A | H5M1 | sing | 1.09Å | 1.09Å | |
| C5A | H5M2 | sing | 1.09Å | 1.09Å | |
| C5A | H5M3 | sing | 1.09Å | 1.09Å | |
| O2' | C6' | sing | 1.44Å | 1.42Å | |
| C6' | H6'1 | sing | 1.09Å | 1.09Å | |
| C6' | H6'2 | sing | 1.09Å | 1.09Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 120.3° | 120.3° |
| C2 | N1 | C1' | 117.9° | 119.9° |
| N1 | C2 | N3 | 119.0° | 121.1° |
| N1 | C2 | O2 | 121.3° | 119.4° |
| C6 | N1 | C1' | 121.8° | 119.8° |
| N1 | C6 | C5 | 121.2° | 119.3° |
| N1 | C6 | H6 | 119.5° | 120.3° |
| N1 | C1' | C2' | 112.8° | 110.3° |
| N1 | C1' | O4' | 114.5° | 110.3° |
| N1 | C1' | H1' | 109.2° | 110.2° |
| N3 | C2 | O2 | 119.7° | 119.5° |
| C2 | N3 | C4 | 121.3° | 120.7° |
| N3 | C4 | C5 | 120.9° | 119.6° |
| N3 | C4 | N4 | 117.5° | 120.2° |
| C5 | C4 | N4 | 121.6° | 120.2° |
| C4 | C5 | C6 | 117.4° | 119.0° |
| C4 | C5 | C5A | 121.8° | 120.5° |
| C4 | N4 | H41 | 119.5° | 120.0° |
| C4 | N4 | H42 | 120.3° | 120.0° |
| C6 | C5 | C5A | 120.8° | 120.5° |
| C5 | C6 | H6 | 119.2° | 120.4° |
| C5 | C5A | H5M1 | 109.5° | 109.5° |
| C5 | C5A | H5M2 | 110.5° | 109.5° |
| C5 | C5A | H5M3 | 109.6° | 109.5° |
| H41 | N4 | H42 | 120.2° | 120.0° |
| C2' | C1' | O4' | 101.6° | 105.4° |
| C2' | C1' | H1' | 109.0° | 110.3° |
| C1' | C2' | C3' | 102.1° | 98.9° |
| C1' | C2' | O2' | 106.9° | 103.1° |
| C1' | C2' | H2'1 | 113.5° | 117.3° |
| O4' | C1' | H1' | 109.5° | 110.2° |
| C1' | O4' | C4' | 105.7° | 107.0° |
| C3' | C2' | O2' | 104.6° | 101.1° |
| C3' | C2' | H2'1 | 114.5° | 117.3° |
| C2' | C3' | C4' | 88.7° | 93.2° |
| C2' | C3' | O3' | 114.3° | 112.6° |
| C2' | C3' | H3' | 113.1° | 112.6° |
| O2' | C2' | H2'1 | 114.0° | 116.3° |
| C2' | O2' | C6' | 105.0° | 106.7° |
| C4' | C3' | O3' | 114.6° | 111.8° |
| C4' | C3' | H3' | 111.9° | 113.3° |
| C3' | C4' | O4' | 102.5° | 101.2° |
| C3' | C4' | C5' | 114.2° | 116.7° |
| C3' | C4' | C6' | 101.3° | 99.9° |
| O3' | C3' | H3' | 112.3° | 112.1° |
| C3' | O3' | H3T | 114.3° | 106.8° |
| O4' | C4' | C5' | 112.8° | 116.3° |
| O4' | C4' | C6' | 108.9° | 103.8° |
| C5' | C4' | C6' | 115.7° | 116.4° |
| C4' | C5' | O5' | 111.1° | 109.4° |
| C4' | C5' | H5'1 | 109.2° | 109.5° |
| C4' | C5' | H5'2 | 109.2° | 109.4° |
| C4' | C6' | O2' | 102.5° | 105.3° |
| C4' | C6' | H6'1 | 111.0° | 110.3° |
| C4' | C6' | H6'2 | 110.7° | 110.3° |
| O5' | C5' | H5'1 | 108.9° | 109.5° |
| O5' | C5' | H5'2 | 109.5° | 109.5° |
| C5' | O5' | H5T | 108.7° | 106.7° |
| H5'1 | C5' | H5'2 | 108.9° | 109.6° |
| H5M1 | C5A | H5M2 | 108.9° | 109.4° |
| H5M1 | C5A | H5M3 | 109.5° | 109.5° |
| H5M2 | C5A | H5M3 | 108.8° | 109.5° |
| O2' | C6' | H6'1 | 111.4° | 110.3° |
| O2' | C6' | H6'2 | 110.0° | 110.2° |
| H6'1 | C6' | H6'2 | 110.9° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 177.5° | 180.0° |
| N1 | C2 | N3 | O2 | 179.8° | 180.0° |
| N1 | C2 | N3 | C4 | 0.8° | 0.3° |
| C2 | N1 | C6 | C5 | 1.5° | 0.1° |
| C2 | N1 | C6 | H6 | 178.8° | 180.0° |
| C2 | N1 | C1' | C2' | 79.2° | 85.6° |
| C2 | N1 | C1' | O4' | 165.2° | 158.4° |
| C2 | N1 | C1' | H1' | 42.1° | 36.4° |
| C6 | N1 | C2 | N3 | 1.9° | 0.0° |
| C6 | N1 | C2 | O2 | 178.3° | 180.0° |
| N1 | C6 | C5 | C4 | 0.2° | 0.2° |
| N1 | C6 | C5 | H6 | 179.7° | 179.9° |
| N1 | C6 | C5 | C5A | 179.8° | 180.0° |
| C6 | N1 | C1' | C2' | 103.2° | 94.4° |
| C6 | N1 | C1' | O4' | 12.3° | 21.6° |
| C6 | N1 | C1' | H1' | 135.5° | 143.6° |
| C1' | N1 | C2 | N3 | 175.7° | 179.9° |
| C1' | N1 | C2 | O2 | 4.1° | 0.0° |
| C1' | N1 | C6 | C5 | 175.9° | 179.9° |
| C1' | N1 | C6 | H6 | 3.7° | 0.0° |
| N1 | C1' | C2' | O4' | 123.1° | 119.1° |
| N1 | C1' | C2' | H1' | 121.4° | 121.9° |
| N1 | C1' | O4' | H1' | 123.0° | 122.0° |
| N1 | C1' | C2' | C3' | 89.1° | 86.9° |
| N1 | C1' | C2' | O2' | 161.4° | 169.5° |
| N1 | C1' | C2' | H2'1 | 34.7° | 40.2° |
| N1 | C1' | O4' | C4' | 126.4° | 122.2° |
| C2 | N3 | C4 | C5 | 0.6° | 0.5° |
| C2 | N3 | C4 | N4 | 179.7° | 180.0° |
| O2 | C2 | N3 | C4 | 179.4° | 179.7° |
| N3 | C4 | C5 | N4 | 179.6° | 179.4° |
| N3 | C4 | C5 | C6 | 0.9° | 0.5° |
| N3 | C4 | C5 | C5A | 179.1° | 179.7° |
| N3 | C4 | N4 | H41 | 0.2° | 0.1° |
| N3 | C4 | N4 | H42 | 179.0° | 180.0° |
| C4 | C5 | C6 | C5A | 180.0° | 179.8° |
| C4 | C5 | C6 | H6 | 179.8° | 179.7° |
| C5 | C4 | N4 | H41 | 179.8° | 179.5° |
| C5 | C4 | N4 | H42 | 0.7° | 0.6° |
| C4 | C5 | C5A | H5M1 | 62.8° | 0.3° |
| C4 | C5 | C5A | H5M2 | 177.1° | 119.7° |
| C4 | C5 | C5A | H5M3 | 57.3° | 120.3° |
| N4 | C4 | C5 | C6 | 179.4° | 179.9° |
| N4 | C4 | C5 | C5A | 0.6° | 0.3° |
| C4 | N4 | H41 | H42 | 179.2° | 179.9° |
| C6 | C5 | C5A | H5M1 | 117.1° | 180.0° |
| C6 | C5 | C5A | H5M2 | 2.9° | 60.1° |
| C6 | C5 | C5A | H5M3 | 122.7° | 59.9° |
| C5A | C5 | C6 | H6 | 0.2° | 0.0° |
| C5 | C5A | H5M1 | H5M2 | 121.0° | 120.0° |
| C5 | C5A | H5M1 | H5M3 | 120.2° | 120.0° |
| C5 | C5A | H5M2 | H5M3 | 120.4° | 120.0° |
| C2' | C1' | O4' | H1' | 115.1° | 119.0° |
| C1' | C2' | C3' | O2' | 111.3° | 105.3° |
| C1' | C2' | C3' | H2'1 | 123.1° | 127.1° |
| C1' | C2' | O2' | H2'1 | 126.3° | 129.8° |
| C1' | C2' | C3' | C4' | 54.3° | 51.1° |
| C1' | C2' | C3' | O3' | 170.9° | 166.4° |
| C1' | C2' | C3' | H3' | 59.0° | 65.7° |
| C2' | C1' | O4' | C4' | 4.5° | 3.2° |
| C1' | C2' | O2' | C6' | 69.7° | 64.9° |
| O4' | C1' | C2' | C3' | 34.0° | 32.2° |
| O4' | C1' | C2' | O2' | 75.6° | 71.5° |
| O4' | C1' | C2' | H2'1 | 157.8° | 159.3° |
| C1' | O4' | C4' | C3' | 41.8° | 37.7° |
| C1' | O4' | C4' | C5' | 165.1° | 165.2° |
| C1' | O4' | C4' | C6' | 64.9° | 65.5° |
| H1' | C1' | C2' | C3' | 149.5° | 151.2° |
| H1' | C1' | C2' | O2' | 40.0° | 47.5° |
| H1' | C1' | C2' | H2'1 | 86.7° | 81.7° |
| H1' | C1' | O4' | C4' | 110.6° | 115.8° |
| C3' | C2' | O2' | H2'1 | 125.9° | 128.2° |
| C2' | C3' | C4' | O3' | 116.2° | 115.9° |
| C2' | C3' | C4' | H3' | 114.4° | 116.3° |
| C2' | C3' | O3' | H3' | 130.5° | 128.1° |
| C2' | C3' | C4' | O4' | 58.5° | 55.1° |
| C2' | C3' | C4' | C5' | 179.1° | 177.7° |
| C2' | C3' | C4' | C6' | 54.0° | 51.3° |
| C2' | C3' | O3' | H3T | 180.0° | 61.5° |
| C3' | C2' | O2' | C6' | 38.1° | 37.1° |
| O2' | C2' | C3' | C4' | 57.0° | 54.2° |
| O2' | C2' | C3' | O3' | 59.6° | 61.0° |
| O2' | C2' | C3' | H3' | 170.2° | 171.1° |
| C2' | O2' | C6' | C4' | 0.5° | 2.8° |
| C2' | O2' | C6' | H6'1 | 118.3° | 121.8° |
| C2' | O2' | C6' | H6'2 | 118.3° | 116.1° |
| H2'1 | C2' | C3' | C4' | 177.5° | 178.2° |
| H2'1 | C2' | C3' | O3' | 66.0° | 66.5° |
| H2'1 | C2' | C3' | H3' | 64.2° | 61.4° |
| H2'1 | C2' | O2' | C6' | 164.0° | 165.2° |
| C4' | C3' | O3' | H3' | 129.1° | 128.5° |
| C3' | C4' | O4' | C5' | 123.3° | 127.5° |
| C3' | C4' | O4' | C6' | 106.8° | 103.2° |
| C3' | C4' | C5' | C6' | 117.1° | 117.7° |
| C4' | C3' | O3' | H3T | 79.7° | 164.8° |
| C3' | C4' | C5' | O5' | 174.7° | 179.6° |
| C3' | C4' | C5' | H5'1 | 54.6° | 59.6° |
| C3' | C4' | C5' | H5'2 | 64.4° | 60.4° |
| C3' | C4' | C6' | O2' | 36.7° | 32.4° |
| C3' | C4' | C6' | H6'1 | 155.8° | 86.6° |
| C3' | C4' | C6' | H6'2 | 80.6° | 151.3° |
| O3' | C3' | C4' | O4' | 174.7° | 170.9° |
| O3' | C3' | C4' | C5' | 62.9° | 61.8° |
| O3' | C3' | C4' | C6' | 62.2° | 64.6° |
| H3' | C3' | C4' | O4' | 55.9° | 61.2° |
| H3' | C3' | C4' | C5' | 66.4° | 66.1° |
| H3' | C3' | C4' | C6' | 168.4° | 167.5° |
| H3' | C3' | O3' | H3T | 49.4° | 66.7° |
| O4' | C4' | C5' | C6' | 126.3° | 122.9° |
| O4' | C4' | C5' | O5' | 68.8° | 61.0° |
| O4' | C4' | C5' | H5'1 | 171.1° | 179.0° |
| O4' | C4' | C5' | H5'2 | 52.2° | 59.0° |
| O4' | C4' | C6' | O2' | 70.9° | 71.8° |
| O4' | C4' | C6' | H6'1 | 48.2° | 169.2° |
| O4' | C4' | C6' | H6'2 | 171.8° | 47.1° |
| C4' | C5' | O5' | H5'1 | 120.3° | 120.0° |
| C4' | C5' | O5' | H5'2 | 120.8° | 119.9° |
| C4' | C5' | H5'1 | H5'2 | 119.2° | 120.0° |
| C4' | C5' | O5' | H5T | 179.7° | 180.0° |
| C5' | C4' | C6' | O2' | 160.8° | 159.0° |
| C5' | C4' | C6' | H6'1 | 80.1° | 40.0° |
| C5' | C4' | C6' | H6'2 | 43.5° | 82.1° |
| C6' | C4' | C5' | O5' | 57.6° | 61.9° |
| C6' | C4' | C5' | H5'1 | 62.5° | 58.1° |
| C6' | C4' | C5' | H5'2 | 178.5° | 178.2° |
| C4' | C6' | O2' | H6'1 | 118.8° | 119.0° |
| C4' | C6' | O2' | H6'2 | 117.8° | 118.9° |
| C4' | C6' | H6'1 | H6'2 | 123.5° | 122.0° |
| O5' | C5' | H5'1 | H5'2 | 119.4° | 120.0° |
| H5'1 | C5' | O5' | H5T | 60.0° | 60.0° |
| H5'2 | C5' | O5' | H5T | 59.0° | 60.1° |
| H5M1 | C5A | H5M2 | H5M3 | 119.2° | 120.0° |
| O2' | C6' | H6'1 | H6'2 | 122.9° | 122.0° |
