LLT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C4 | doub | 1.22Å | 1.36Å | |
N3 | C4 | sing | 1.35Å | 1.35Å | |
C4 | C5 | sing | 1.42Å | 1.38Å | |
C5 | C7 | sing | 1.51Å | 1.50Å | |
C5 | C6 | doub | 1.35Å | 1.39Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
C7 | H7B | sing | 1.09Å | 1.10Å | |
N1 | C6 | sing | 1.37Å | 1.34Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
N3 | C2 | sing | 1.35Å | 1.35Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
O2 | C2 | doub | 1.22Å | 1.36Å | |
C2 | N1 | sing | 1.35Å | 1.34Å | |
N1 | C1' | sing | 1.46Å | 1.46Å | |
O4' | C1' | sing | 1.44Å | 1.44Å | |
C1' | C2' | sing | 1.55Å | 1.53Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
O4' | C4' | sing | 1.44Å | 1.43Å | |
C4' | C5' | sing | 1.53Å | 1.52Å | |
C4' | C3' | sing | 1.55Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O5' | C5' | sing | 1.43Å | 1.45Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'A | sing | 1.09Å | 1.10Å | |
O5' | HO5' | sing | 0.97Å | 0.95Å | |
C2' | C3' | sing | 1.54Å | 1.53Å | |
O3' | C3' | sing | 1.43Å | 1.43Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C2' | H2'A | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4 | C4 | N3 | 120.6° | 120.3° |
O4 | C4 | C5 | 119.4° | 120.3° |
N3 | C4 | C5 | 120.0° | 119.4° |
C4 | N3 | C2 | 119.5° | 120.2° |
C4 | N3 | HN3 | 120.2° | 119.9° |
C4 | C5 | C7 | 120.9° | 120.5° |
C4 | C5 | C6 | 118.7° | 119.1° |
C7 | C5 | C6 | 120.4° | 120.4° |
C5 | C7 | H7 | 109.5° | 109.4° |
C5 | C7 | H7A | 109.5° | 109.4° |
C5 | C7 | H7B | 109.5° | 109.5° |
C5 | C6 | N1 | 120.1° | 119.7° |
C5 | C6 | H6 | 120.0° | 120.1° |
H7 | C7 | H7A | 109.5° | 109.5° |
H7 | C7 | H7B | 109.4° | 109.5° |
H7A | C7 | H7B | 109.5° | 109.5° |
N1 | C6 | H6 | 120.0° | 120.2° |
C6 | N1 | C2 | 119.8° | 120.6° |
C6 | N1 | C1' | 118.2° | 119.7° |
C2 | N3 | HN3 | 120.2° | 119.9° |
N3 | C2 | O2 | 118.1° | 119.5° |
N3 | C2 | N1 | 121.9° | 121.0° |
O2 | C2 | N1 | 120.0° | 119.5° |
C2 | N1 | C1' | 122.0° | 119.7° |
N1 | C1' | O4' | 111.4° | 110.4° |
N1 | C1' | C2' | 111.1° | 110.4° |
N1 | C1' | H1' | 105.3° | 110.4° |
O4' | C1' | C2' | 103.6° | 104.8° |
O4' | C1' | H1' | 112.6° | 110.4° |
C1' | O4' | C4' | 111.4° | 105.3° |
C2' | C1' | H1' | 112.9° | 110.4° |
C1' | C2' | C3' | 103.5° | 104.1° |
C1' | C2' | H2' | 111.5° | 110.5° |
C1' | C2' | H2'A | 112.8° | 110.6° |
O4' | C4' | C5' | 109.8° | 110.3° |
O4' | C4' | C3' | 106.3° | 104.8° |
O4' | C4' | H4' | 112.3° | 110.4° |
C5' | C4' | C3' | 112.3° | 110.4° |
C5' | C4' | H4' | 106.4° | 110.4° |
C4' | C5' | O5' | 110.0° | 109.5° |
C4' | C5' | H5' | 109.3° | 109.5° |
C4' | C5' | H5'A | 109.2° | 109.4° |
C3' | C4' | H4' | 109.9° | 110.5° |
C4' | C3' | C2' | 105.3° | 104.1° |
C4' | C3' | O3' | 107.0° | 110.5° |
C4' | C3' | H3' | 114.0° | 110.5° |
O5' | C5' | H5' | 109.3° | 109.5° |
O5' | C5' | H5'A | 109.2° | 109.5° |
C5' | O5' | HO5' | 109.5° | 114.0° |
H5' | C5' | H5'A | 109.9° | 109.5° |
C2' | C3' | O3' | 110.2° | 110.6° |
C2' | C3' | H3' | 110.9° | 110.6° |
C3' | C2' | H2' | 111.5° | 110.5° |
C3' | C2' | H2'A | 112.8° | 110.5° |
O3' | C3' | H3' | 109.3° | 110.5° |
C3' | O3' | HO3' | 109.5° | 114.0° |
H2' | C2' | H2'A | 105.0° | 110.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C4 | N3 | C5 | 179.8° | 179.6° |
O4 | C4 | C5 | C7 | 0.1° | 0.1° |
O4 | C4 | C5 | C6 | 179.5° | 180.0° |
O4 | C4 | N3 | C2 | 179.0° | 179.9° |
O4 | C4 | N3 | HN3 | 1.0° | 0.1° |
N3 | C4 | C5 | C7 | 179.8° | 179.7° |
N3 | C4 | C5 | C6 | 0.3° | 0.3° |
C4 | N3 | C2 | HN3 | 180.0° | 180.0° |
C4 | N3 | C2 | O2 | 180.0° | 180.0° |
C4 | N3 | C2 | N1 | 1.8° | 0.0° |
C4 | C5 | C7 | C6 | 179.5° | 179.9° |
C4 | C5 | C7 | H7 | 106.9° | 0.1° |
C4 | C5 | C7 | H7A | 133.0° | 120.0° |
C4 | C5 | C7 | H7B | 13.1° | 120.0° |
C4 | C5 | C6 | N1 | 1.3° | 0.1° |
C4 | C5 | C6 | H6 | 178.7° | 180.0° |
C5 | C4 | N3 | C2 | 1.2° | 0.3° |
C5 | C4 | N3 | HN3 | 178.8° | 179.7° |
C5 | C7 | H7 | H7A | 120.0° | 119.9° |
C5 | C7 | H7 | H7B | 120.0° | 120.0° |
C5 | C7 | H7A | H7B | 120.0° | 120.0° |
C7 | C5 | C6 | N1 | 179.2° | 180.0° |
C7 | C5 | C6 | H6 | 0.8° | 0.0° |
C6 | C5 | C7 | H7 | 72.6° | 180.0° |
C6 | C5 | C7 | H7A | 47.4° | 60.1° |
C6 | C5 | C7 | H7B | 167.4° | 60.0° |
C5 | C6 | N1 | H6 | 180.0° | 180.0° |
C5 | C6 | N1 | C2 | 0.8° | 0.2° |
C5 | C6 | N1 | C1' | 179.9° | 180.0° |
H7 | C7 | H7A | H7B | 119.9° | 120.1° |
C6 | N1 | C2 | N3 | 0.8° | 0.2° |
C6 | N1 | C2 | O2 | 178.9° | 179.8° |
C6 | N1 | C2 | C1' | 179.1° | 179.8° |
C6 | N1 | C1' | O4' | 19.1° | 4.4° |
C6 | N1 | C1' | C2' | 95.8° | 119.8° |
C6 | N1 | C1' | H1' | 141.6° | 118.0° |
H6 | C6 | N1 | C2 | 179.3° | 179.8° |
H6 | C6 | N1 | C1' | 0.1° | 0.0° |
N3 | C2 | O2 | N1 | 178.2° | 180.0° |
N3 | C2 | N1 | C1' | 178.3° | 180.0° |
HN3 | N3 | C2 | O2 | 0.0° | 0.0° |
HN3 | N3 | C2 | N1 | 178.2° | 180.0° |
O2 | C2 | N1 | C1' | 0.2° | 0.0° |
C2 | N1 | C1' | O4' | 161.7° | 175.4° |
C2 | N1 | C1' | C2' | 83.3° | 60.0° |
C2 | N1 | C1' | H1' | 39.3° | 62.2° |
N1 | C1' | O4' | C2' | 119.5° | 118.8° |
N1 | C1' | O4' | H1' | 118.1° | 122.3° |
N1 | C1' | C2' | H1' | 118.1° | 122.3° |
N1 | C1' | O4' | C4' | 146.8° | 159.3° |
N1 | C1' | C2' | C3' | 151.3° | 142.8° |
N1 | C1' | C2' | H2' | 31.3° | 24.2° |
N1 | C1' | C2' | H2'A | 86.5° | 98.5° |
O4' | C1' | C2' | H1' | 122.1° | 118.9° |
C1' | O4' | C4' | C5' | 133.0° | 159.3° |
C1' | O4' | C4' | C3' | 11.4° | 40.5° |
C1' | O4' | C4' | H4' | 108.8° | 78.4° |
O4' | C1' | C2' | C3' | 31.5° | 23.9° |
O4' | C1' | C2' | H2' | 88.5° | 94.6° |
O4' | C1' | C2' | H2'A | 153.7° | 142.6° |
C2' | C1' | O4' | C4' | 27.3° | 40.5° |
C1' | C2' | C3' | C4' | 25.1° | 0.1° |
C1' | C2' | C3' | H2' | 120.0° | 118.6° |
C1' | C2' | C3' | H2'A | 122.2° | 118.7° |
C1' | C2' | C3' | O3' | 89.9° | 118.7° |
C1' | C2' | C3' | H3' | 148.8° | 118.6° |
C1' | C2' | H2' | H2'A | 122.4° | 122.7° |
H1' | C1' | O4' | C4' | 95.1° | 78.3° |
H1' | C1' | C2' | C3' | 90.6° | 95.0° |
H1' | C1' | C2' | H2' | 149.4° | 146.4° |
H1' | C1' | C2' | H2'A | 31.6° | 23.7° |
O4' | C4' | C5' | C3' | 118.0° | 115.3° |
O4' | C4' | C5' | H4' | 121.8° | 122.3° |
O4' | C4' | C3' | H4' | 121.8° | 118.9° |
O4' | C4' | C5' | O5' | 86.2° | 66.5° |
O4' | C4' | C5' | H5' | 33.9° | 53.6° |
O4' | C4' | C5' | H5'A | 154.1° | 173.5° |
O4' | C4' | C3' | C2' | 9.5° | 24.0° |
O4' | C4' | C3' | O3' | 107.7° | 142.8° |
O4' | C4' | C3' | H3' | 131.3° | 94.7° |
C5' | C4' | C3' | H4' | 118.2° | 122.3° |
C4' | C5' | O5' | H5' | 120.0° | 120.1° |
C4' | C5' | O5' | H5'A | 119.8° | 119.9° |
C4' | C5' | H5' | H5'A | 119.8° | 119.9° |
C4' | C5' | O5' | HO5' | 152.4° | 180.0° |
C5' | C4' | C3' | C2' | 110.5° | 142.8° |
C5' | C4' | C3' | O3' | 132.2° | 98.4° |
C5' | C4' | C3' | H3' | 11.3° | 24.1° |
C3' | C4' | C5' | O5' | 155.9° | 178.2° |
C3' | C4' | C5' | H5' | 84.1° | 61.8° |
C3' | C4' | C5' | H5'A | 36.1° | 58.2° |
C4' | C3' | C2' | O3' | 115.0° | 118.7° |
C4' | C3' | C2' | H3' | 123.7° | 118.6° |
C4' | C3' | O3' | H3' | 123.9° | 122.6° |
C4' | C3' | O3' | HO3' | 50.8° | 180.0° |
C4' | C3' | C2' | H2' | 94.9° | 118.6° |
C4' | C3' | C2' | H2'A | 147.3° | 118.7° |
H4' | C4' | C5' | O5' | 35.7° | 55.8° |
H4' | C4' | C5' | H5' | 155.7° | 175.8° |
H4' | C4' | C5' | H5'A | 84.1° | 64.2° |
H4' | C4' | C3' | C2' | 131.3° | 94.8° |
H4' | C4' | C3' | O3' | 14.0° | 23.9° |
H4' | C4' | C3' | H3' | 106.9° | 146.5° |
O5' | C5' | H5' | H5'A | 119.8° | 120.0° |
H5' | C5' | O5' | HO5' | 87.6° | 60.0° |
H5'A | C5' | O5' | HO5' | 32.6° | 60.0° |
C2' | C3' | O3' | H3' | 122.2° | 122.8° |
C2' | C3' | O3' | HO3' | 63.1° | 65.3° |
C3' | C2' | H2' | H2'A | 122.5° | 122.7° |
O3' | C3' | C2' | H2' | 150.1° | 122.7° |
O3' | C3' | C2' | H2'A | 32.3° | 0.0° |
H3' | C3' | O3' | HO3' | 174.7° | 57.4° |
H3' | C3' | C2' | H2' | 28.9° | 0.0° |
H3' | C3' | C2' | H2'A | 89.0° | 122.7° |