2ND
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O6 | C6 | doub | 1.22Å | 1.23Å | |
C6 | N1 | sing | 1.35Å | 1.40Å | |
C6 | C5 | sing | 1.42Å | 1.39Å | |
N1 | C2 | sing | 1.36Å | 1.40Å | |
N1 | HN1 | sing | 0.97Å | 1.02Å | |
C2 | N3 | doub | 1.30Å | 1.32Å | |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N3 | C4 | sing | 1.34Å | 1.34Å | |
C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
C5 | N7 | sing | 1.35Å | 1.33Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
C8 | N9 | sing | 1.36Å | 1.33Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N9 | C1' | sing | 1.46Å | 1.48Å | |
C1' | O4' | sing | 1.44Å | 1.44Å | |
C1' | C2' | sing | 1.54Å | 1.53Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
O4' | C4' | sing | 1.44Å | 1.44Å | |
C2' | C3' | sing | 1.55Å | 1.53Å | |
C2' | H2'1 | sing | 1.09Å | 1.11Å | |
C2' | H2'2 | sing | 1.09Å | 1.12Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C4' | sing | 1.55Å | 1.53Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | H1 | sing | 0.97Å | 0.95Å | |
C4' | C5' | sing | 1.53Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
C5' | O5' | sing | 1.43Å | 1.43Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
O5' | H5' | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O6 | C6 | N1 | 120.4° | 120.9° |
O6 | C6 | C5 | 120.8° | 120.9° |
N1 | C6 | C5 | 118.8° | 118.2° |
C6 | N1 | C2 | 119.3° | 120.4° |
C6 | N1 | HN1 | 120.4° | 119.9° |
C6 | C5 | C4 | 119.0° | 118.4° |
C6 | C5 | N7 | 133.6° | 134.3° |
C2 | N1 | HN1 | 120.3° | 119.7° |
N1 | C2 | N3 | 120.1° | 122.1° |
N1 | C2 | H2 | 122.8° | 118.9° |
N3 | C2 | H2 | 117.1° | 118.9° |
C2 | N3 | C4 | 122.2° | 121.3° |
N3 | C4 | C5 | 120.6° | 119.6° |
N3 | C4 | N9 | 132.3° | 134.3° |
C5 | C4 | N9 | 107.0° | 106.2° |
C4 | C5 | N7 | 107.4° | 107.3° |
C4 | N9 | C8 | 107.9° | 107.4° |
C4 | N9 | C1' | 127.3° | 126.3° |
C5 | N7 | C8 | 107.9° | 109.3° |
N7 | C8 | N9 | 109.8° | 109.8° |
N7 | C8 | H8 | 125.1° | 125.1° |
N9 | C8 | H8 | 125.1° | 125.1° |
C8 | N9 | C1' | 124.8° | 126.3° |
N9 | C1' | O4' | 110.5° | 109.9° |
N9 | C1' | C2' | 113.3° | 110.0° |
N9 | C1' | H1' | 105.3° | 109.9° |
O4' | C1' | C2' | 107.1° | 107.3° |
O4' | C1' | H1' | 111.8° | 109.9° |
C1' | O4' | C4' | 108.1° | 107.0° |
C2' | C1' | H1' | 108.9° | 109.9° |
C1' | C2' | C3' | 102.2° | 104.3° |
C1' | C2' | H2'1 | 115.0° | 110.4° |
C1' | C2' | H2'2 | 115.0° | 110.5° |
O4' | C4' | C3' | 102.4° | 103.6° |
O4' | C4' | C5' | 109.6° | 110.6° |
O4' | C4' | H4' | 115.2° | 110.6° |
C3' | C2' | H2'1 | 115.0° | 110.4° |
C3' | C2' | H2'2 | 115.0° | 110.6° |
C2' | C3' | O3' | 110.6° | 110.9° |
C2' | C3' | C4' | 101.0° | 102.0° |
C2' | C3' | H3' | 114.8° | 110.9° |
H2'1 | C2' | H2'2 | 95.4° | 110.5° |
O3' | C3' | C4' | 111.4° | 111.1° |
O3' | C3' | H3' | 105.1° | 110.8° |
C3' | O3' | H1 | 110.6° | 106.7° |
C4' | C3' | H3' | 114.1° | 110.8° |
C3' | C4' | C5' | 113.1° | 110.6° |
C3' | C4' | H4' | 111.9° | 110.7° |
C5' | C4' | H4' | 104.9° | 110.6° |
C4' | C5' | O5' | 109.2° | 109.5° |
C4' | C5' | H5'1 | 112.3° | 109.5° |
C4' | C5' | H5'2 | 112.3° | 109.4° |
O5' | C5' | H5'1 | 112.3° | 109.5° |
O5' | C5' | H5'2 | 112.3° | 109.4° |
C5' | O5' | H5' | 109.2° | 106.8° |
H5'1 | C5' | H5'2 | 98.1° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C6 | N1 | C5 | 179.5° | 180.0° |
O6 | C6 | N1 | C2 | 179.3° | 180.0° |
O6 | C6 | N1 | HN1 | 0.7° | 0.1° |
O6 | C6 | C5 | C4 | 179.4° | 179.7° |
O6 | C6 | C5 | N7 | 1.5° | 0.0° |
C6 | N1 | C2 | HN1 | 180.0° | 179.9° |
C6 | N1 | C2 | N3 | 0.1° | 0.1° |
C6 | N1 | C2 | H2 | 179.9° | 180.0° |
N1 | C6 | C5 | C4 | 0.1° | 0.3° |
N1 | C6 | C5 | N7 | 178.9° | 180.0° |
C5 | C6 | N1 | C2 | 0.2° | 0.0° |
C5 | C6 | N1 | HN1 | 179.8° | 180.0° |
C6 | C5 | C4 | N3 | 0.1° | 0.6° |
C6 | C5 | C4 | N7 | 179.3° | 179.7° |
C6 | C5 | C4 | N9 | 179.1° | 179.8° |
C6 | C5 | N7 | C8 | 179.0° | 180.0° |
N1 | C2 | N3 | H2 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.1° | 0.3° |
HN1 | N1 | C2 | N3 | 179.9° | 180.0° |
HN1 | N1 | C2 | H2 | 0.1° | 0.0° |
C2 | N3 | C4 | C5 | 0.2° | 0.7° |
C2 | N3 | C4 | N9 | 178.7° | 179.5° |
H2 | C2 | N3 | C4 | 179.9° | 179.7° |
N3 | C4 | C5 | N9 | 179.2° | 179.2° |
N3 | C4 | C5 | N7 | 179.4° | 179.6° |
N3 | C4 | N9 | C8 | 179.2° | 179.4° |
N3 | C4 | N9 | C1' | 1.5° | 0.9° |
C4 | C5 | N7 | C8 | 0.1° | 0.3° |
C5 | C4 | N9 | C8 | 0.2° | 0.4° |
C5 | C4 | N9 | C1' | 177.6° | 179.9° |
N9 | C4 | C5 | N7 | 0.2° | 0.4° |
C4 | N9 | C8 | N7 | 0.1° | 0.3° |
C4 | N9 | C8 | C1' | 177.8° | 179.7° |
C4 | N9 | C8 | H8 | 179.9° | 179.7° |
C4 | N9 | C1' | O4' | 111.3° | 156.8° |
C4 | N9 | C1' | C2' | 8.9° | 85.4° |
C4 | N9 | C1' | H1' | 127.8° | 35.8° |
C5 | N7 | C8 | N9 | 0.0° | 0.0° |
C5 | N7 | C8 | H8 | 180.0° | 180.0° |
N7 | C8 | N9 | H8 | 180.0° | 180.0° |
N7 | C8 | N9 | C1' | 177.7° | 180.0° |
C8 | N9 | C1' | O4' | 66.1° | 23.6° |
C8 | N9 | C1' | C2' | 173.7° | 94.3° |
C8 | N9 | C1' | H1' | 54.8° | 144.6° |
H8 | C8 | N9 | C1' | 2.3° | 0.0° |
N9 | C1' | O4' | C2' | 123.8° | 119.6° |
N9 | C1' | O4' | H1' | 117.0° | 121.0° |
N9 | C1' | C2' | H1' | 116.9° | 121.1° |
N9 | C1' | O4' | C4' | 111.2° | 146.1° |
N9 | C1' | C2' | C3' | 137.4° | 121.6° |
N9 | C1' | C2' | H2'1 | 12.2° | 119.8° |
N9 | C1' | C2' | H2'2 | 97.3° | 2.8° |
O4' | C1' | C2' | H1' | 121.0° | 119.4° |
O4' | C1' | C2' | C3' | 15.3° | 2.2° |
O4' | C1' | C2' | H2'1 | 109.9° | 120.8° |
O4' | C1' | C2' | H2'2 | 140.6° | 116.7° |
C1' | O4' | C4' | C3' | 35.5° | 40.0° |
C1' | O4' | C4' | C5' | 84.8° | 158.5° |
C1' | O4' | C4' | H4' | 157.2° | 78.6° |
C2' | C1' | O4' | C4' | 12.7° | 26.5° |
C1' | C2' | C3' | H2'1 | 125.3° | 118.6° |
C1' | C2' | C3' | H2'2 | 125.3° | 118.8° |
C1' | C2' | H2'1 | H2'2 | 120.9° | 122.5° |
C1' | C2' | C3' | O3' | 82.6° | 139.1° |
C1' | C2' | C3' | C4' | 35.4° | 20.7° |
C1' | C2' | C3' | H3' | 158.7° | 97.3° |
H1' | C1' | O4' | C4' | 131.9° | 92.9° |
H1' | C1' | C2' | C3' | 105.7° | 117.2° |
H1' | C1' | C2' | H2'1 | 129.0° | 1.4° |
H1' | C1' | C2' | H2'2 | 19.6° | 123.9° |
O4' | C4' | C3' | C2' | 43.8° | 36.8° |
O4' | C4' | C3' | O3' | 73.7° | 155.1° |
O4' | C4' | C3' | C5' | 117.9° | 118.5° |
O4' | C4' | C3' | H4' | 123.9° | 118.6° |
O4' | C4' | C3' | H3' | 167.6° | 81.3° |
O4' | C4' | C5' | H4' | 124.3° | 122.9° |
O4' | C4' | C5' | O5' | 56.9° | 68.6° |
O4' | C4' | C5' | H5'1 | 68.4° | 51.4° |
O4' | C4' | C5' | H5'2 | 177.8° | 171.5° |
C3' | C2' | H2'1 | H2'2 | 120.8° | 122.6° |
C2' | C3' | O3' | C4' | 111.5° | 112.7° |
C2' | C3' | O3' | H3' | 124.4° | 123.6° |
C2' | C3' | C4' | H3' | 123.7° | 118.1° |
C2' | C3' | O3' | H1 | 180.0° | 61.5° |
C2' | C3' | C4' | C5' | 74.0° | 155.4° |
C2' | C3' | C4' | H4' | 167.8° | 81.8° |
H2'1 | C2' | C3' | O3' | 152.1° | 20.4° |
H2'1 | C2' | C3' | C4' | 89.9° | 98.0° |
H2'1 | C2' | C3' | H3' | 33.4° | 144.0° |
H2'2 | C2' | C3' | O3' | 42.7° | 102.1° |
H2'2 | C2' | C3' | C4' | 160.7° | 139.5° |
H2'2 | C2' | C3' | H3' | 76.0° | 21.5° |
O3' | C3' | C4' | H3' | 118.8° | 123.6° |
O3' | C3' | C4' | C5' | 168.5° | 86.4° |
O3' | C3' | C4' | H4' | 50.3° | 36.5° |
C4' | C3' | O3' | H1 | 68.5° | 174.2° |
C3' | C4' | C5' | H4' | 122.2° | 122.9° |
C3' | C4' | C5' | O5' | 170.4° | 177.2° |
C3' | C4' | C5' | H5'1 | 45.2° | 62.8° |
C3' | C4' | C5' | H5'2 | 64.3° | 57.3° |
H3' | C3' | O3' | H1 | 55.5° | 62.2° |
H3' | C3' | C4' | C5' | 49.7° | 37.3° |
H3' | C3' | C4' | H4' | 68.5° | 160.1° |
C4' | C5' | O5' | H5'1 | 125.3° | 120.1° |
C4' | C5' | O5' | H5'2 | 125.3° | 119.9° |
C4' | C5' | H5'1 | H5'2 | 118.3° | 120.0° |
C4' | C5' | O5' | H5' | 180.0° | 180.0° |
H4' | C4' | C5' | O5' | 67.4° | 54.3° |
H4' | C4' | C5' | H5'1 | 167.4° | 174.3° |
H4' | C4' | C5' | H5'2 | 57.9° | 65.7° |
O5' | C5' | H5'1 | H5'2 | 118.2° | 120.0° |
H5'1 | C5' | O5' | H5' | 54.7° | 60.0° |
H5'2 | C5' | O5' | H5' | 54.7° | 60.1° |