ZZC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
N1 | C6 | sing | 1.33Å | 1.36Å | Aromatic |
C2 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
C4 | C5 | sing | 1.41Å | 1.46Å | Aromatic |
C4 | N9 | sing | 1.37Å | 1.32Å | Aromatic |
C5 | C6 | doub | 1.41Å | 1.48Å | Aromatic |
C5 | N7 | sing | 1.35Å | 1.33Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.34Å | |
N7 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
N9 | C1' | sing | 1.46Å | 1.47Å | |
PA | O1A | doub | 1.55Å | 1.50Å | |
PA | O2A | sing | 1.54Å | 1.51Å | |
PA | O3A | sing | 1.61Å | 1.61Å | |
PA | O5' | sing | 1.61Å | 1.57Å | |
PB | O5'A | sing | 1.61Å | 1.60Å | |
PB | O1B | sing | 1.54Å | 1.50Å | |
PB | O2B | doub | 1.55Å | 1.50Å | |
PB | O3A | sing | 1.61Å | 1.62Å | |
C1'A | C2'A | sing | 1.51Å | 1.50Å | |
C2'A | C3'A | sing | 1.51Å | 1.51Å | |
C2'A | O2'A | doub | 1.21Å | 1.22Å | |
C3'A | C4'A | sing | 1.53Å | 1.53Å | |
C3'A | O3'A | sing | 1.43Å | 1.42Å | |
C4'A | C5'A | sing | 1.53Å | 1.52Å | |
C4'A | O4'A | sing | 1.43Å | 1.42Å | |
C5'A | O5'A | sing | 1.43Å | 1.41Å | |
C1' | C2' | sing | 1.55Å | 1.52Å | |
C1' | O4' | sing | 1.44Å | 1.43Å | |
C2' | O2' | sing | 1.43Å | 1.42Å | |
C2' | C3' | sing | 1.55Å | 1.52Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C4' | sing | 1.54Å | 1.53Å | |
C4' | O4' | sing | 1.44Å | 1.41Å | |
C4' | C5' | sing | 1.53Å | 1.50Å | |
C5' | O5' | sing | 1.43Å | 1.38Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
N6 | HN6 | sing | 0.97Å | 1.00Å | |
N6 | HN6A | sing | 0.97Å | 1.00Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C1'A | H1'A | sing | 1.09Å | 1.10Å | |
C1'A | H1'B | sing | 1.09Å | 1.10Å | |
C1'A | H1'C | sing | 1.09Å | 1.10Å | |
C3'A | H3'A | sing | 1.09Å | 1.10Å | |
C4'A | H4'A | sing | 1.09Å | 1.10Å | |
C5'A | H5'A | sing | 1.09Å | 1.10Å | |
C5'A | H5'B | sing | 1.09Å | 1.10Å | |
O3'A | H3'B | sing | 0.97Å | 0.95Å | |
O4'A | H4'B | sing | 0.97Å | 0.95Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'C | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | C6 | 121.1° | 121.2° |
N1 | C2 | N3 | 123.0° | 122.4° |
N1 | C2 | H2 | 118.5° | 118.8° |
N1 | C6 | C5 | 118.4° | 118.4° |
N1 | C6 | N6 | 122.5° | 120.8° |
C2 | N3 | C4 | 121.3° | 120.7° |
N3 | C2 | H2 | 118.5° | 118.8° |
N3 | C4 | C5 | 119.2° | 119.1° |
N3 | C4 | N9 | 134.3° | 134.9° |
C5 | C4 | N9 | 106.5° | 106.0° |
C4 | C5 | C6 | 116.9° | 118.2° |
C4 | C5 | N7 | 107.0° | 107.2° |
C4 | N9 | C8 | 108.5° | 107.4° |
C4 | N9 | C1' | 122.0° | 126.3° |
C6 | C5 | N7 | 136.1° | 134.7° |
C5 | C6 | N6 | 119.1° | 120.8° |
C5 | N7 | C8 | 107.2° | 109.4° |
C6 | N6 | HN6 | 109.5° | 120.0° |
C6 | N6 | HN6A | 109.4° | 120.0° |
N7 | C8 | N9 | 110.8° | 110.0° |
N7 | C8 | H8 | 124.6° | 125.0° |
C8 | N9 | C1' | 129.4° | 126.3° |
N9 | C8 | H8 | 124.6° | 125.0° |
N9 | C1' | C2' | 109.6° | 110.6° |
N9 | C1' | O4' | 115.8° | 110.6° |
N9 | C1' | H1' | 104.4° | 110.5° |
O1A | PA | O2A | 121.5° | 109.4° |
O1A | PA | O3A | 110.5° | 109.4° |
O1A | PA | O5' | 109.8° | 109.5° |
O2A | PA | O3A | 105.5° | 109.5° |
O2A | PA | O5' | 110.1° | 109.5° |
O3A | PA | O5' | 96.7° | 109.5° |
PA | O3A | PB | 125.0° | 134.0° |
PA | O5' | C5' | 111.0° | 123.0° |
O5'A | PB | O1B | 110.4° | 109.5° |
O5'A | PB | O2B | 107.1° | 109.5° |
O5'A | PB | O3A | 97.7° | 109.4° |
PB | O5'A | C5'A | 120.2° | 123.0° |
O1B | PB | O2B | 120.4° | 109.5° |
O1B | PB | O3A | 115.8° | 109.5° |
O2B | PB | O3A | 102.6° | 109.5° |
C1'A | C2'A | C3'A | 119.5° | 120.0° |
C1'A | C2'A | O2'A | 121.2° | 120.0° |
C2'A | C1'A | H1'A | 109.5° | 109.5° |
C2'A | C1'A | H1'B | 109.4° | 109.5° |
C2'A | C1'A | H1'C | 109.5° | 109.5° |
C3'A | C2'A | O2'A | 119.3° | 120.0° |
C2'A | C3'A | C4'A | 113.4° | 109.5° |
C2'A | C3'A | O3'A | 108.2° | 109.4° |
C2'A | C3'A | H3'A | 106.8° | 109.5° |
C4'A | C3'A | O3'A | 106.3° | 109.5° |
C3'A | C4'A | C5'A | 115.7° | 109.5° |
C3'A | C4'A | O4'A | 109.7° | 109.5° |
C4'A | C3'A | H3'A | 108.6° | 109.5° |
C3'A | C4'A | H4'A | 104.3° | 109.5° |
O3'A | C3'A | H3'A | 113.8° | 109.5° |
C3'A | O3'A | H3'B | 109.5° | 114.0° |
C5'A | C4'A | O4'A | 107.4° | 109.4° |
C4'A | C5'A | O5'A | 108.5° | 109.5° |
C5'A | C4'A | H4'A | 106.7° | 109.5° |
C4'A | C5'A | H5'A | 109.8° | 109.5° |
C4'A | C5'A | H5'B | 110.0° | 109.5° |
O4'A | C4'A | H4'A | 113.1° | 109.5° |
C4'A | O4'A | H4'B | 109.5° | 114.0° |
O5'A | C5'A | H5'A | 109.8° | 109.5° |
O5'A | C5'A | H5'B | 110.0° | 109.5° |
C2' | C1' | O4' | 107.9° | 103.5° |
C1' | C2' | O2' | 110.6° | 110.9° |
C1' | C2' | C3' | 101.9° | 102.1° |
C2' | C1' | H1' | 112.9° | 110.6° |
C1' | C2' | H2' | 115.6° | 110.9° |
C1' | O4' | C4' | 108.2° | 107.0° |
O4' | C1' | H1' | 106.3° | 110.8° |
O2' | C2' | C3' | 114.8° | 110.9° |
O2' | C2' | H2' | 103.0° | 110.8° |
C2' | O2' | HO2' | 109.5° | 114.0° |
C2' | C3' | O3' | 111.6° | 110.5° |
C2' | C3' | C4' | 100.1° | 104.2° |
C3' | C2' | H2' | 111.5° | 110.9° |
C2' | C3' | H3' | 115.3° | 110.5° |
O3' | C3' | C4' | 112.7° | 110.5° |
O3' | C3' | H3' | 103.3° | 110.4° |
C3' | O3' | HO3' | 109.5° | 114.0° |
C3' | C4' | O4' | 107.1° | 107.3° |
C3' | C4' | C5' | 110.3° | 109.9° |
C4' | C3' | H3' | 114.2° | 110.6° |
C3' | C4' | H4' | 107.4° | 109.9° |
O4' | C4' | C5' | 97.6° | 109.9° |
O4' | C4' | H4' | 118.4° | 109.8° |
C4' | C5' | O5' | 111.8° | 109.5° |
C5' | C4' | H4' | 115.6° | 110.0° |
C4' | C5' | H5' | 108.7° | 109.4° |
C4' | C5' | H5'C | 108.2° | 109.5° |
O5' | C5' | H5' | 108.7° | 109.5° |
O5' | C5' | H5'C | 108.2° | 109.5° |
HN6 | N6 | HN6A | 109.5° | 120.0° |
H1'A | C1'A | H1'B | 109.4° | 109.5° |
H1'A | C1'A | H1'C | 109.5° | 109.5° |
H1'B | C1'A | H1'C | 109.5° | 109.4° |
H5'A | C5'A | H5'B | 108.7° | 109.5° |
H5' | C5' | H5'C | 111.3° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C2 | N3 | H2 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.7° | 0.0° |
C2 | N1 | C6 | C5 | 1.3° | 0.0° |
C2 | N1 | C6 | N6 | 179.8° | 180.0° |
C6 | N1 | C2 | N3 | 0.5° | 0.0° |
N1 | C6 | C5 | C4 | 1.1° | 0.0° |
N1 | C6 | C5 | N6 | 178.9° | 180.0° |
N1 | C6 | C5 | N7 | 179.9° | 180.0° |
C6 | N1 | C2 | H2 | 179.5° | 180.0° |
N1 | C6 | N6 | HN6 | 155.9° | 0.0° |
N1 | C6 | N6 | HN6A | 35.9° | 180.0° |
C2 | N3 | C4 | C5 | 0.8° | 0.1° |
C2 | N3 | C4 | N9 | 179.9° | 180.0° |
N3 | C4 | C5 | N9 | 179.4° | 180.0° |
N3 | C4 | C5 | C6 | 0.1° | 0.0° |
N3 | C4 | C5 | N7 | 179.4° | 180.0° |
N3 | C4 | N9 | C8 | 179.8° | 180.0° |
N3 | C4 | N9 | C1' | 2.6° | 0.0° |
C4 | N3 | C2 | H2 | 179.3° | 180.0° |
C4 | C5 | C6 | N7 | 179.0° | 180.0° |
C4 | C5 | C6 | N6 | 179.9° | 180.0° |
C4 | C5 | N7 | C8 | 0.5° | 0.0° |
C5 | C4 | N9 | C8 | 0.6° | 0.0° |
C5 | C4 | N9 | C1' | 178.2° | 180.0° |
N9 | C4 | C5 | C6 | 179.3° | 180.0° |
N9 | C4 | C5 | N7 | 0.0° | 0.0° |
C4 | N9 | C8 | N7 | 0.9° | 0.0° |
C4 | N9 | C8 | C1' | 177.4° | 180.0° |
C4 | N9 | C1' | C2' | 117.5° | 85.0° |
C4 | N9 | C1' | O4' | 120.2° | 160.9° |
C4 | N9 | C8 | H8 | 179.1° | 180.0° |
C4 | N9 | C1' | H1' | 3.7° | 37.8° |
C6 | C5 | N7 | C8 | 179.6° | 180.0° |
C5 | C6 | N6 | HN6 | 23.0° | 180.0° |
C5 | C6 | N6 | HN6A | 143.0° | 0.0° |
N7 | C5 | C6 | N6 | 1.0° | 0.0° |
C5 | N7 | C8 | N9 | 0.9° | 0.0° |
C5 | N7 | C8 | H8 | 179.1° | 180.0° |
C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
N7 | C8 | N9 | H8 | 180.0° | 180.0° |
N7 | C8 | N9 | C1' | 178.3° | 180.0° |
C8 | N9 | C1' | C2' | 59.6° | 95.0° |
C8 | N9 | C1' | O4' | 62.8° | 19.1° |
C8 | N9 | C1' | H1' | 179.2° | 142.2° |
N9 | C1' | C2' | O4' | 127.0° | 118.5° |
N9 | C1' | C2' | H1' | 115.9° | 122.8° |
N9 | C1' | O4' | H1' | 115.4° | 123.0° |
N9 | C1' | C2' | O2' | 85.0° | 86.3° |
N9 | C1' | C2' | C3' | 152.5° | 155.5° |
N9 | C1' | O4' | C4' | 126.2° | 158.5° |
C1' | N9 | C8 | H8 | 1.7° | 0.0° |
N9 | C1' | C2' | H2' | 31.5° | 37.3° |
O1A | PA | O2A | O3A | 126.5° | 120.0° |
O1A | PA | O2A | O5' | 130.2° | 120.0° |
O1A | PA | O3A | O5' | 114.0° | 120.0° |
O1A | PA | O3A | PB | 52.9° | 40.0° |
O1A | PA | O5' | C5' | 57.2° | 55.0° |
O2A | PA | O3A | O5' | 113.0° | 120.1° |
O2A | PA | O3A | PB | 174.1° | 80.0° |
O2A | PA | O5' | C5' | 79.0° | 64.9° |
PA | O3A | PB | O5'A | 134.8° | 160.0° |
PA | O3A | PB | O1B | 17.6° | 80.0° |
PA | O3A | PB | O2B | 115.6° | 40.0° |
O3A | PA | O5' | C5' | 171.8° | 175.0° |
O5' | PA | O3A | PB | 61.1° | 160.0° |
PA | O5' | C5' | C4' | 123.9° | 180.0° |
PA | O5' | C5' | H5' | 4.0° | 60.0° |
PA | O5' | C5' | H5'C | 117.1° | 60.1° |
O5'A | PB | O1B | O2B | 125.7° | 120.0° |
O5'A | PB | O1B | O3A | 109.8° | 120.0° |
O5'A | PB | O2B | O3A | 102.3° | 120.0° |
PB | O5'A | C5'A | C4'A | 174.6° | 180.0° |
PB | O5'A | C5'A | H5'A | 65.4° | 60.0° |
PB | O5'A | C5'A | H5'B | 54.2° | 60.0° |
O1B | PB | O2B | O3A | 130.5° | 120.1° |
O1B | PB | O5'A | C5'A | 37.3° | 65.0° |
O2B | PB | O5'A | C5'A | 170.2° | 55.0° |
O3A | PB | O5'A | C5'A | 84.0° | 175.0° |
C1'A | C2'A | C3'A | O2'A | 180.0° | 180.0° |
C1'A | C2'A | C3'A | C4'A | 159.4° | 80.0° |
C1'A | C2'A | C3'A | O3'A | 41.7° | 160.0° |
C2'A | C1'A | H1'A | H1'B | 120.0° | 120.0° |
C2'A | C1'A | H1'A | H1'C | 120.0° | 120.1° |
C2'A | C1'A | H1'B | H1'C | 120.0° | 120.1° |
C1'A | C2'A | C3'A | H3'A | 81.1° | 40.0° |
C2'A | C3'A | C4'A | O3'A | 118.7° | 119.9° |
C2'A | C3'A | C4'A | H3'A | 118.5° | 120.0° |
C2'A | C3'A | O3'A | H3'A | 118.4° | 120.0° |
C2'A | C3'A | C4'A | C5'A | 57.1° | 180.0° |
C2'A | C3'A | C4'A | O4'A | 64.5° | 60.1° |
C3'A | C2'A | C1'A | H1'A | 89.6° | 90.0° |
C3'A | C2'A | C1'A | H1'B | 150.4° | 150.0° |
C3'A | C2'A | C1'A | H1'C | 30.4° | 30.0° |
C2'A | C3'A | C4'A | H4'A | 174.1° | 60.0° |
C2'A | C3'A | O3'A | H3'B | 20.5° | 60.0° |
O2'A | C2'A | C3'A | C4'A | 20.7° | 100.0° |
O2'A | C2'A | C3'A | O3'A | 138.3° | 20.0° |
O2'A | C2'A | C1'A | H1'A | 90.4° | 90.0° |
O2'A | C2'A | C1'A | H1'B | 29.5° | 30.0° |
O2'A | C2'A | C1'A | H1'C | 149.6° | 150.0° |
O2'A | C2'A | C3'A | H3'A | 98.9° | 140.0° |
C4'A | C3'A | O3'A | H3'A | 119.5° | 120.1° |
C3'A | C4'A | C5'A | O4'A | 122.9° | 119.9° |
C3'A | C4'A | C5'A | H4'A | 115.6° | 120.1° |
C3'A | C4'A | O4'A | H4'A | 116.0° | 120.1° |
C3'A | C4'A | C5'A | O5'A | 40.4° | 175.0° |
C3'A | C4'A | C5'A | H5'A | 79.6° | 55.0° |
C3'A | C4'A | C5'A | H5'B | 160.7° | 65.0° |
C4'A | C3'A | O3'A | H3'B | 101.6° | 59.9° |
C3'A | C4'A | O4'A | H4'B | 159.5° | 59.9° |
O3'A | C3'A | C4'A | C5'A | 175.8° | 60.1° |
O3'A | C3'A | C4'A | O4'A | 54.2° | 180.0° |
O3'A | C3'A | C4'A | H4'A | 67.2° | 60.0° |
C5'A | C4'A | O4'A | H4'A | 117.5° | 120.0° |
C4'A | C5'A | O5'A | H5'A | 120.0° | 120.0° |
C4'A | C5'A | O5'A | H5'B | 120.4° | 120.0° |
C5'A | C4'A | C3'A | H3'A | 61.4° | 60.0° |
C4'A | C5'A | H5'A | H5'B | 120.4° | 120.0° |
C5'A | C4'A | O4'A | H4'B | 33.0° | 60.0° |
O4'A | C4'A | C5'A | O5'A | 163.2° | 65.1° |
O4'A | C4'A | C3'A | H3'A | 177.0° | 60.0° |
O4'A | C4'A | C5'A | H5'A | 43.2° | 175.0° |
O4'A | C4'A | C5'A | H5'B | 76.4° | 55.0° |
O5'A | C5'A | C4'A | H4'A | 75.2° | 54.9° |
O5'A | C5'A | H5'A | H5'B | 120.4° | 120.0° |
C2' | C1' | O4' | H1' | 121.3° | 118.6° |
C1' | C2' | O2' | C3' | 114.5° | 112.7° |
C1' | C2' | O2' | H2' | 124.1° | 123.7° |
C1' | C2' | C3' | H2' | 123.9° | 118.2° |
C1' | C2' | C3' | O3' | 83.6° | 97.8° |
C1' | C2' | C3' | C4' | 36.0° | 20.9° |
C2' | C1' | O4' | C4' | 2.9° | 40.0° |
C1' | C2' | O2' | HO2' | 107.7° | 180.0° |
C1' | C2' | C3' | H3' | 159.0° | 139.7° |
O4' | C1' | C2' | O2' | 148.0° | 155.2° |
O4' | C1' | C2' | C3' | 25.6° | 37.0° |
C1' | O4' | C4' | C3' | 21.4° | 26.5° |
C1' | O4' | C4' | C5' | 92.6° | 146.0° |
O4' | C1' | C2' | H2' | 95.5° | 81.2° |
C1' | O4' | C4' | H4' | 142.8° | 92.9° |
O2' | C2' | C3' | H2' | 116.6° | 123.6° |
O2' | C2' | C3' | O3' | 35.9° | 20.4° |
O2' | C2' | C3' | C4' | 155.5° | 139.1° |
O2' | C2' | C1' | H1' | 30.9° | 36.5° |
O2' | C2' | C3' | H3' | 81.5° | 102.1° |
C2' | C3' | O3' | C4' | 111.8° | 114.7° |
C2' | C3' | O3' | H3' | 124.5° | 122.5° |
C2' | C3' | C4' | H3' | 123.8° | 118.8° |
C2' | C3' | C4' | O4' | 36.4° | 2.0° |
C2' | C3' | C4' | C5' | 68.7° | 121.5° |
C3' | C2' | C1' | H1' | 91.5° | 81.7° |
C3' | C2' | O2' | HO2' | 137.7° | 67.3° |
C2' | C3' | O3' | HO3' | 53.3° | 61.5° |
C2' | C3' | C4' | H4' | 164.5° | 117.4° |
O3' | C3' | C4' | H3' | 117.5° | 122.6° |
O3' | C3' | C4' | O4' | 82.3° | 120.7° |
O3' | C3' | C4' | C5' | 172.6° | 119.9° |
O3' | C3' | C2' | H2' | 152.5° | 144.0° |
O3' | C3' | C4' | H4' | 45.8° | 1.3° |
C3' | C4' | O4' | C5' | 114.0° | 119.5° |
C3' | C4' | O4' | H4' | 121.4° | 119.4° |
C3' | C4' | C5' | H4' | 122.0° | 121.1° |
C3' | C4' | C5' | O5' | 104.5° | 175.0° |
C4' | C3' | C2' | H2' | 87.9° | 97.3° |
C4' | C3' | O3' | HO3' | 165.0° | 176.2° |
C3' | C4' | C5' | H5' | 15.4° | 55.0° |
C3' | C4' | C5' | H5'C | 136.5° | 65.0° |
O4' | C4' | C5' | H4' | 126.6° | 121.0° |
O4' | C4' | C5' | O5' | 144.1° | 67.1° |
C4' | O4' | C1' | H1' | 118.4° | 78.5° |
O4' | C4' | C3' | H3' | 160.2° | 116.7° |
O4' | C4' | C5' | H5' | 96.0° | 172.9° |
O4' | C4' | C5' | H5'C | 25.0° | 52.9° |
C4' | C5' | O5' | H5' | 120.0° | 119.9° |
C4' | C5' | O5' | H5'C | 119.0° | 120.0° |
C5' | C4' | C3' | H3' | 55.1° | 2.7° |
C4' | C5' | H5' | H5'C | 119.1° | 120.0° |
O5' | C5' | C4' | H4' | 17.5° | 53.9° |
O5' | C5' | H5' | H5'C | 119.1° | 120.0° |
H1'A | C1'A | H1'B | H1'C | 120.0° | 120.0° |
H3'A | C3'A | C4'A | H4'A | 55.6° | 180.0° |
H3'A | C3'A | O3'A | H3'B | 138.9° | 180.0° |
H4'A | C4'A | C5'A | H5'A | 164.8° | 65.0° |
H4'A | C4'A | C5'A | H5'B | 45.2° | 175.0° |
H4'A | C4'A | O4'A | H4'B | 84.5° | 180.0° |
H1' | C1' | C2' | H2' | 147.4° | 160.1° |
H2' | C2' | O2' | HO2' | 16.4° | 56.4° |
H2' | C2' | C3' | H3' | 35.1° | 21.5° |
H3' | C3' | O3' | HO3' | 71.2° | 61.1° |
H3' | C3' | C4' | H4' | 71.7° | 123.9° |
H4' | C4' | C5' | H5' | 137.4° | 66.1° |
H4' | C4' | C5' | H5'C | 101.5° | 173.9° |