Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | OP1 | doub | 1.48Å | 1.47Å | |
P | OP2 | sing | 1.61Å | 1.47Å | |
P | OP3 | sing | 1.61Å | 1.48Å | |
P | O5' | sing | 1.61Å | 1.61Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.44Å | |
C5' | C4' | sing | 1.53Å | 1.52Å | |
C5' | H5' | sing | 1.09Å | 1.11Å | |
C5' | H5'' | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.45Å | 1.43Å | |
C4' | C3' | sing | 1.54Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.54Å | 1.51Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | C1' | sing | 1.54Å | 1.50Å | |
C2' | H2' | sing | 1.09Å | 1.12Å | |
C2' | H2'' | sing | 1.09Å | 1.12Å | |
C1' | N9 | sing | 1.46Å | 1.46Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.35Å | 1.33Å | Aromatic |
C5 | C6 | sing | 1.42Å | 1.52Å | |
C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
C6 | O6 | doub | 1.22Å | 1.23Å | |
C6 | N1 | sing | 1.35Å | 1.39Å | |
N1 | C2 | sing | 1.36Å | 1.38Å | |
N1 | HN1 | sing | 0.97Å | 1.02Å | |
C2 | N3 | doub | 1.30Å | 1.33Å | |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N3 | C4 | sing | 1.34Å | 1.35Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP1 | P | OP2 | 112.8° | 109.4° |
OP1 | P | OP3 | 114.7° | 109.5° |
OP1 | P | O5' | 105.1° | 109.5° |
OP2 | P | OP3 | 116.8° | 109.5° |
OP2 | P | O5' | 101.4° | 109.5° |
P | OP2 | HOP2 | 112.7° | 106.8° |
OP3 | P | O5' | 104.0° | 109.5° |
P | OP3 | HOP3 | 114.7° | 106.8° |
P | O5' | C5' | 122.3° | 106.8° |
O5' | C5' | C4' | 106.7° | 109.5° |
O5' | C5' | H5' | 113.2° | 109.4° |
O5' | C5' | H5'' | 113.2° | 109.4° |
C4' | C5' | H5' | 113.2° | 109.5° |
C4' | C5' | H5'' | 113.2° | 109.5° |
C5' | C4' | O4' | 119.3° | 110.4° |
C5' | C4' | C3' | 122.0° | 110.7° |
C5' | C4' | H4' | 88.2° | 110.3° |
H5' | C5' | H5'' | 97.3° | 109.5° |
O4' | C4' | C3' | 105.9° | 104.7° |
O4' | C4' | H4' | 111.6° | 110.4° |
C4' | O4' | C1' | 104.5° | 105.4° |
C3' | C4' | H4' | 107.7° | 110.3° |
C4' | C3' | O3' | 115.3° | 110.5° |
C4' | C3' | C2' | 107.1° | 104.2° |
C4' | C3' | H3' | 111.5° | 110.5° |
O4' | C1' | C2' | 112.5° | 104.8° |
O4' | C1' | N9 | 116.7° | 110.5° |
O4' | C1' | H1' | 108.8° | 110.4° |
O3' | C3' | C2' | 119.4° | 110.5° |
O3' | C3' | H3' | 96.2° | 110.5° |
C3' | O3' | HO3' | 115.3° | 106.8° |
C2' | C3' | H3' | 106.4° | 110.5° |
C3' | C2' | C1' | 100.7° | 104.1° |
C3' | C2' | H2' | 115.6° | 110.6° |
C3' | C2' | H2'' | 115.6° | 110.5° |
C1' | C2' | H2' | 115.6° | 110.5° |
C1' | C2' | H2'' | 115.6° | 110.5° |
C2' | C1' | N9 | 122.2° | 110.4° |
C2' | C1' | H1' | 99.3° | 110.4° |
H2' | C2' | H2'' | 94.8° | 110.5° |
N9 | C1' | H1' | 92.0° | 110.3° |
C1' | N9 | C8 | 125.1° | 126.2° |
C1' | N9 | C4 | 124.3° | 126.3° |
C8 | N9 | C4 | 108.5° | 107.4° |
N9 | C8 | N7 | 109.8° | 109.8° |
N9 | C8 | H8 | 125.1° | 125.1° |
N9 | C4 | C5 | 106.2° | 106.2° |
N9 | C4 | N3 | 131.6° | 134.2° |
N7 | C8 | H8 | 125.1° | 125.1° |
C8 | N7 | C5 | 107.0° | 109.2° |
N7 | C5 | C6 | 129.7° | 134.2° |
N7 | C5 | C4 | 108.5° | 107.3° |
C6 | C5 | C4 | 119.7° | 118.5° |
C5 | C6 | O6 | 128.5° | 120.9° |
C5 | C6 | N1 | 110.2° | 118.2° |
C5 | C4 | N3 | 122.0° | 119.6° |
O6 | C6 | N1 | 121.0° | 121.0° |
C6 | N1 | C2 | 126.7° | 120.4° |
C6 | N1 | HN1 | 117.0° | 119.8° |
C2 | N1 | HN1 | 116.3° | 119.8° |
N1 | C2 | N3 | 120.0° | 122.2° |
N1 | C2 | H2 | 121.9° | 118.9° |
N3 | C2 | H2 | 118.2° | 118.9° |
C2 | N3 | C4 | 120.4° | 121.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P | OP2 | OP3 | 136.0° | 120.0° |
OP1 | P | OP2 | O5' | 111.8° | 120.0° |
OP1 | P | OP3 | O5' | 114.2° | 120.0° |
OP1 | P | OP2 | HOP2 | 180.0° | 60.1° |
OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
OP1 | P | O5' | C5' | 38.9° | 60.0° |
OP2 | P | OP3 | O5' | 110.7° | 120.0° |
OP2 | P | OP3 | HOP3 | 44.9° | 60.1° |
OP2 | P | O5' | C5' | 78.7° | 180.0° |
OP3 | P | OP2 | HOP2 | 44.0° | 60.0° |
OP3 | P | O5' | C5' | 159.8° | 60.0° |
O5' | P | OP2 | HOP2 | 68.2° | 180.0° |
O5' | P | OP3 | HOP3 | 65.8° | 59.9° |
P | O5' | C5' | C4' | 126.2° | 180.0° |
P | O5' | C5' | H5' | 108.6° | 60.0° |
P | O5' | C5' | H5'' | 1.0° | 60.0° |
O5' | C5' | C4' | H5' | 125.2° | 119.9° |
O5' | C5' | C4' | H5'' | 125.2° | 120.0° |
O5' | C5' | H5' | H5'' | 119.2° | 120.0° |
O5' | C5' | C4' | O4' | 86.1° | 61.5° |
O5' | C5' | C4' | C3' | 50.0° | 176.9° |
O5' | C5' | C4' | H4' | 159.9° | 60.8° |
C4' | C5' | H5' | H5'' | 119.2° | 120.0° |
C5' | C4' | O4' | C3' | 142.4° | 119.1° |
C5' | C4' | O4' | H4' | 100.7° | 122.2° |
C5' | C4' | C3' | H4' | 99.3° | 122.4° |
C5' | C4' | O4' | C1' | 111.8° | 159.5° |
C5' | C4' | C3' | O3' | 108.0° | 98.5° |
C5' | C4' | C3' | C2' | 116.4° | 142.7° |
C5' | C4' | C3' | H3' | 0.4° | 24.1° |
H5' | C5' | C4' | O4' | 148.6° | 178.6° |
H5' | C5' | C4' | C3' | 75.2° | 63.2° |
H5' | C5' | C4' | H4' | 34.7° | 59.2° |
H5'' | C5' | C4' | O4' | 39.1° | 58.5° |
H5'' | C5' | C4' | C3' | 175.3° | 56.9° |
H5'' | C5' | C4' | H4' | 74.9° | 179.2° |
O4' | C4' | C3' | H4' | 119.6° | 118.7° |
O4' | C4' | C3' | O3' | 110.9° | 142.5° |
O4' | C4' | C3' | C2' | 24.7° | 23.8° |
O4' | C4' | C3' | H3' | 140.7° | 94.9° |
C4' | O4' | C1' | C2' | 26.6° | 40.4° |
C4' | O4' | C1' | N9 | 122.0° | 159.3° |
C4' | O4' | C1' | H1' | 135.7° | 78.4° |
C3' | C4' | O4' | C1' | 30.5° | 40.3° |
C4' | C3' | O3' | C2' | 129.8° | 114.8° |
C4' | C3' | O3' | H3' | 117.4° | 122.6° |
C4' | C3' | C2' | H3' | 119.4° | 118.7° |
C4' | C3' | O3' | HO3' | 180.0° | 178.1° |
C4' | C3' | C2' | C1' | 8.4° | 0.1° |
C4' | C3' | C2' | H2' | 116.9° | 118.5° |
C4' | C3' | C2' | H2'' | 133.7° | 118.8° |
H4' | C4' | O4' | C1' | 147.5° | 78.3° |
H4' | C4' | C3' | O3' | 8.7° | 23.8° |
H4' | C4' | C3' | C2' | 144.2° | 94.9° |
H4' | C4' | C3' | H3' | 99.7° | 146.4° |
O4' | C1' | C2' | C3' | 10.8° | 24.0° |
O4' | C1' | C2' | N9 | 146.7° | 119.0° |
O4' | C1' | C2' | H1' | 115.0° | 118.8° |
O4' | C1' | C2' | H2' | 136.1° | 94.7° |
O4' | C1' | C2' | H2'' | 114.5° | 142.6° |
O4' | C1' | N9 | H1' | 112.3° | 122.3° |
O4' | C1' | N9 | C8 | 106.1° | 25.5° |
O4' | C1' | N9 | C4 | 92.2° | 154.9° |
O3' | C3' | C2' | H3' | 107.2° | 122.6° |
O3' | C3' | C2' | C1' | 125.0° | 118.6° |
O3' | C3' | C2' | H2' | 109.7° | 122.7° |
O3' | C3' | C2' | H2'' | 0.3° | 0.0° |
C2' | C3' | O3' | HO3' | 50.1° | 63.3° |
C3' | C2' | C1' | H2' | 125.3° | 118.7° |
C3' | C2' | C1' | H2'' | 125.3° | 118.6° |
C3' | C2' | H2' | H2'' | 121.4° | 122.7° |
C3' | C2' | C1' | N9 | 135.9° | 143.0° |
C3' | C2' | C1' | H1' | 125.8° | 94.8° |
H3' | C3' | O3' | HO3' | 62.7° | 59.3° |
H3' | C3' | C2' | C1' | 127.8° | 118.8° |
H3' | C3' | C2' | H2' | 2.5° | 0.1° |
H3' | C3' | C2' | H2'' | 106.8° | 122.6° |
C1' | C2' | H2' | H2'' | 121.4° | 122.6° |
C2' | C1' | N9 | H1' | 102.3° | 122.3° |
C2' | C1' | N9 | C8 | 39.3° | 89.9° |
C2' | C1' | N9 | C4 | 122.4° | 89.7° |
H2' | C2' | C1' | N9 | 10.6° | 24.3° |
H2' | C2' | C1' | H1' | 108.9° | 146.5° |
H2'' | C2' | C1' | N9 | 98.8° | 98.4° |
H2'' | C2' | C1' | H1' | 0.5° | 23.8° |
C1' | N9 | C8 | C4 | 164.1° | 179.7° |
C1' | N9 | C8 | N7 | 163.7° | 180.0° |
C1' | N9 | C8 | H8 | 16.2° | 0.1° |
C1' | N9 | C4 | C5 | 164.2° | 179.8° |
C1' | N9 | C4 | N3 | 20.8° | 0.8° |
H1' | C1' | N9 | C8 | 141.6° | 147.8° |
H1' | C1' | N9 | C4 | 20.1° | 32.6° |
N9 | C8 | N7 | H8 | 180.0° | 179.9° |
N9 | C8 | N7 | C5 | 0.5° | 0.1° |
C8 | N9 | C4 | C5 | 0.1° | 0.5° |
C8 | N9 | C4 | N3 | 174.9° | 179.5° |
C4 | N9 | C8 | N7 | 0.4° | 0.3° |
C4 | N9 | C8 | H8 | 179.7° | 179.8° |
N9 | C4 | C5 | N7 | 0.2° | 0.5° |
N9 | C4 | C5 | C6 | 164.9° | 179.8° |
N9 | C4 | C5 | N3 | 175.6° | 179.2° |
N9 | C4 | N3 | C2 | 171.1° | 179.5° |
C8 | N7 | C5 | C6 | 162.7° | 179.9° |
C8 | N7 | C5 | C4 | 0.5° | 0.2° |
H8 | C8 | N7 | C5 | 179.5° | 179.9° |
N7 | C5 | C6 | C4 | 161.6° | 179.7° |
N7 | C5 | C6 | O6 | 3.9° | 0.0° |
N7 | C5 | C6 | N1 | 170.9° | 180.0° |
N7 | C5 | C4 | N3 | 175.8° | 179.6° |
C5 | C6 | O6 | N1 | 174.4° | 180.0° |
C5 | C6 | N1 | C2 | 1.6° | 0.1° |
C5 | C6 | N1 | HN1 | 178.3° | 180.0° |
C6 | C5 | C4 | N3 | 10.7° | 0.6° |
C4 | C5 | C6 | O6 | 165.5° | 179.7° |
C4 | C5 | C6 | N1 | 9.3° | 0.3° |
C5 | C4 | N3 | C2 | 3.2° | 0.6° |
O6 | C6 | N1 | C2 | 173.7° | 180.0° |
O6 | C6 | N1 | HN1 | 6.4° | 0.0° |
C6 | N1 | C2 | HN1 | 179.9° | 179.9° |
C6 | N1 | C2 | N3 | 5.5° | 0.1° |
C6 | N1 | C2 | H2 | 174.4° | 180.0° |
N1 | C2 | N3 | H2 | 179.9° | 179.9° |
N1 | C2 | N3 | C4 | 4.9° | 0.2° |
HN1 | N1 | C2 | N3 | 174.5° | 179.9° |
HN1 | N1 | C2 | H2 | 5.5° | 0.0° |
H2 | C2 | N3 | C4 | 175.0° | 179.7° |