C1Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C8 | N7 | sing | 1.36Å | 1.37Å | Aromatic |
C8 | C9 | doub | 1.35Å | 1.39Å | Aromatic |
N7 | C5 | sing | 1.37Å | 1.33Å | Aromatic |
C9 | C10 | sing | 1.51Å | 1.51Å | |
C9 | C4 | sing | 1.46Å | 1.47Å | Aromatic |
C10 | N1' | sing | 1.47Å | 1.46Å | |
C5 | C4 | doub | 1.41Å | 1.45Å | Aromatic |
C5 | C6 | sing | 1.40Å | 1.47Å | Aromatic |
N6 | C6 | sing | 1.39Å | 1.35Å | |
C4 | N3 | sing | 1.34Å | 1.36Å | Aromatic |
C6 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
N1' | C1' | sing | 1.49Å | 1.49Å | |
N1' | C2' | sing | 1.48Å | 1.48Å | |
C1' | C4' | sing | 1.55Å | 1.53Å | |
N3 | C2 | doub | 1.31Å | 1.34Å | Aromatic |
N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
C2' | C3' | sing | 1.54Å | 1.51Å | |
C4' | C20 | sing | 1.53Å | 1.54Å | |
C4' | C3' | sing | 1.55Å | 1.52Å | |
C21 | C20 | sing | 1.53Å | 1.54Å | |
C21 | C22 | sing | 1.53Å | 1.52Å | |
O3' | C3' | sing | 1.43Å | 1.44Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C20 | H3 | sing | 1.09Å | 1.10Å | |
C20 | H4 | sing | 1.09Å | 1.10Å | |
C21 | H5 | sing | 1.09Å | 1.10Å | |
C21 | H6 | sing | 1.09Å | 1.10Å | |
C8 | H7 | sing | 1.08Å | 1.08Å | |
C22 | H8 | sing | 1.09Å | 1.10Å | |
C22 | H9 | sing | 1.09Å | 1.10Å | |
C22 | H10 | sing | 1.09Å | 1.10Å | |
O3' | H11 | sing | 0.97Å | 0.95Å | |
C3' | H12 | sing | 1.09Å | 1.10Å | |
C2' | H13 | sing | 1.09Å | 1.10Å | |
C2' | H14 | sing | 1.09Å | 1.10Å | |
C1' | H16 | sing | 1.09Å | 1.10Å | |
C1' | H17 | sing | 1.09Å | 1.10Å | |
C4' | H18 | sing | 1.09Å | 1.10Å | |
N7 | H19 | sing | 0.97Å | 1.00Å | |
N6 | H20 | sing | 0.97Å | 1.00Å | |
N6 | H21 | sing | 0.97Å | 1.00Å | |
C2 | H22 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N7 | C8 | C9 | 111.3° | 109.9° |
C8 | N7 | C5 | 110.4° | 109.8° |
N7 | C8 | H7 | 124.4° | 125.1° |
C8 | N7 | H19 | 124.8° | 125.1° |
C8 | C9 | C10 | 125.5° | 126.5° |
C8 | C9 | C4 | 104.5° | 107.1° |
C9 | C8 | H7 | 124.4° | 125.1° |
N7 | C5 | C4 | 107.7° | 107.3° |
N7 | C5 | C6 | 136.8° | 134.6° |
C5 | N7 | H19 | 124.8° | 125.1° |
C10 | C9 | C4 | 130.0° | 126.4° |
C9 | C10 | N1' | 117.7° | 109.5° |
C9 | C10 | H1 | 107.4° | 109.5° |
C9 | C10 | H2 | 107.3° | 109.5° |
C9 | C4 | C5 | 106.2° | 105.9° |
C9 | C4 | N3 | 131.8° | 134.9° |
C10 | N1' | C1' | 116.9° | 111.0° |
C10 | N1' | C2' | 114.3° | 111.0° |
N1' | C10 | H1 | 107.4° | 109.4° |
N1' | C10 | H2 | 107.4° | 109.5° |
C4 | C5 | C6 | 115.5° | 118.1° |
C5 | C4 | N3 | 122.0° | 119.1° |
C5 | C6 | N6 | 120.1° | 120.7° |
C5 | C6 | N1 | 118.0° | 118.6° |
N6 | C6 | N1 | 121.8° | 120.7° |
C6 | N6 | H20 | 109.5° | 120.0° |
C6 | N6 | H21 | 109.5° | 120.0° |
C4 | N3 | C2 | 118.9° | 120.4° |
C6 | N1 | C2 | 122.3° | 121.4° |
C1' | N1' | C2' | 107.4° | 105.8° |
N1' | C1' | C4' | 105.6° | 103.3° |
N1' | C1' | H16 | 110.4° | 110.7° |
N1' | C1' | H17 | 110.4° | 110.7° |
N1' | C2' | C3' | 101.0° | 107.1° |
N1' | C2' | H13 | 111.6° | 109.9° |
N1' | C2' | H14 | 111.5° | 110.1° |
C1' | C4' | C20 | 113.0° | 110.7° |
C1' | C4' | C3' | 104.0° | 102.8° |
C4' | C1' | H16 | 110.4° | 110.6° |
C4' | C1' | H17 | 110.4° | 110.7° |
C1' | C4' | H18 | 108.8° | 110.7° |
N3 | C2 | N1 | 123.3° | 122.4° |
N3 | C2 | H22 | 118.4° | 118.8° |
N1 | C2 | H22 | 118.4° | 118.8° |
C2' | C3' | C4' | 104.6° | 105.2° |
C2' | C3' | O3' | 108.0° | 110.3° |
C2' | C3' | H12 | 110.2° | 110.3° |
C3' | C2' | H13 | 111.5° | 109.9° |
C3' | C2' | H14 | 111.6° | 109.9° |
C20 | C4' | C3' | 113.5° | 110.9° |
C4' | C20 | C21 | 113.8° | 109.5° |
C4' | C20 | H3 | 108.4° | 109.5° |
C4' | C20 | H4 | 108.4° | 109.5° |
C20 | C4' | H18 | 108.6° | 110.7° |
C4' | C3' | O3' | 112.5° | 110.3° |
C4' | C3' | H12 | 110.0° | 110.3° |
C3' | C4' | H18 | 108.8° | 110.8° |
C20 | C21 | C22 | 115.2° | 109.5° |
C21 | C20 | H3 | 108.4° | 109.5° |
C21 | C20 | H4 | 108.4° | 109.5° |
C20 | C21 | H5 | 108.0° | 109.5° |
C20 | C21 | H6 | 108.0° | 109.5° |
C22 | C21 | H5 | 108.0° | 109.5° |
C22 | C21 | H6 | 108.0° | 109.5° |
C21 | C22 | H8 | 109.5° | 109.5° |
C21 | C22 | H9 | 109.5° | 109.5° |
C21 | C22 | H10 | 109.5° | 109.5° |
C3' | O3' | H11 | 109.5° | 114.0° |
O3' | C3' | H12 | 111.3° | 110.2° |
H1 | C10 | H2 | 109.4° | 109.5° |
H3 | C20 | H4 | 109.5° | 109.5° |
H5 | C21 | H6 | 109.5° | 109.5° |
H8 | C22 | H9 | 109.5° | 109.5° |
H8 | C22 | H10 | 109.4° | 109.5° |
H9 | C22 | H10 | 109.5° | 109.5° |
H13 | C2' | H14 | 109.5° | 109.9° |
H16 | C1' | H17 | 109.5° | 110.7° |
H20 | N6 | H21 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N7 | C8 | C9 | H7 | 180.0° | 179.9° |
C8 | N7 | C5 | H19 | 180.0° | 179.9° |
N7 | C8 | C9 | C10 | 178.8° | 180.0° |
N7 | C8 | C9 | C4 | 1.3° | 0.2° |
C8 | N7 | C5 | C4 | 0.7° | 0.1° |
C8 | N7 | C5 | C6 | 179.3° | 179.9° |
C9 | C8 | N7 | C5 | 1.3° | 0.1° |
C8 | C9 | C10 | C4 | 176.8° | 179.7° |
C8 | C9 | C10 | N1' | 110.4° | 100.0° |
C8 | C9 | C4 | C5 | 0.9° | 0.3° |
C8 | C9 | C4 | N3 | 179.6° | 180.0° |
C8 | C9 | C10 | H1 | 10.8° | 140.0° |
C8 | C9 | C10 | H2 | 128.4° | 20.0° |
C9 | C8 | N7 | H19 | 178.7° | 180.0° |
N7 | C5 | C4 | C9 | 0.1° | 0.2° |
N7 | C5 | C4 | C6 | 180.0° | 180.0° |
N7 | C5 | C6 | N6 | 0.2° | 0.0° |
N7 | C5 | C4 | N3 | 179.7° | 180.0° |
N7 | C5 | C6 | N1 | 179.3° | 180.0° |
C5 | N7 | C8 | H7 | 178.7° | 180.0° |
C9 | C10 | N1' | H1 | 121.2° | 120.0° |
C9 | C10 | N1' | H2 | 121.2° | 120.0° |
C10 | C9 | C4 | C5 | 178.2° | 180.0° |
C10 | C9 | C4 | N3 | 2.2° | 0.2° |
C9 | C10 | N1' | C1' | 47.5° | 170.0° |
C9 | C10 | N1' | C2' | 79.1° | 72.6° |
C9 | C10 | H1 | H2 | 116.2° | 120.0° |
C10 | C9 | C8 | H7 | 1.2° | 0.1° |
C4 | C9 | C10 | N1' | 72.8° | 80.3° |
C9 | C4 | C5 | N3 | 179.6° | 179.8° |
C9 | C4 | C5 | C6 | 179.9° | 179.8° |
C9 | C4 | N3 | C2 | 179.7° | 179.7° |
C4 | C9 | C10 | H1 | 166.0° | 39.7° |
C4 | C9 | C10 | H2 | 48.4° | 159.7° |
C4 | C9 | C8 | H7 | 178.7° | 179.9° |
C10 | N1' | C1' | C2' | 130.0° | 120.5° |
C10 | N1' | C1' | C4' | 150.4° | 159.7° |
C10 | N1' | C2' | C3' | 169.6° | 145.8° |
N1' | C10 | H1 | H2 | 116.3° | 120.0° |
C10 | N1' | C2' | H13 | 71.8° | 26.4° |
C10 | N1' | C2' | H14 | 51.0° | 94.7° |
C10 | N1' | C1' | H16 | 31.0° | 41.3° |
C10 | N1' | C1' | H17 | 90.2° | 81.8° |
C4 | C5 | C6 | N6 | 179.8° | 180.0° |
C4 | C5 | C6 | N1 | 0.6° | 0.0° |
C5 | C4 | N3 | C2 | 0.2° | 0.0° |
C4 | C5 | N7 | H19 | 179.3° | 179.9° |
C5 | C6 | N6 | N1 | 179.5° | 180.0° |
C6 | C5 | C4 | N3 | 0.2° | 0.0° |
C5 | C6 | N1 | C2 | 1.0° | 0.1° |
C6 | C5 | N7 | H19 | 0.7° | 0.2° |
C5 | C6 | N6 | H20 | 179.6° | 0.0° |
C5 | C6 | N6 | H21 | 60.4° | 180.0° |
N6 | C6 | N1 | C2 | 179.4° | 179.9° |
C6 | N6 | H20 | H21 | 120.0° | 180.0° |
C4 | N3 | C2 | N1 | 0.5° | 0.1° |
C4 | N3 | C2 | H22 | 179.5° | 180.0° |
C6 | N1 | C2 | N3 | 0.9° | 0.1° |
N1 | C6 | N6 | H20 | 0.0° | 180.0° |
N1 | C6 | N6 | H21 | 120.0° | 0.0° |
C6 | N1 | C2 | H22 | 179.0° | 180.0° |
N1' | C1' | C4' | H16 | 119.4° | 118.5° |
N1' | C1' | C4' | H17 | 119.4° | 118.5° |
C1' | N1' | C2' | C3' | 38.2° | 25.3° |
N1' | C1' | C4' | C20 | 117.7° | 155.8° |
N1' | C1' | C4' | C3' | 5.8° | 37.3° |
C1' | N1' | C10 | H1 | 73.7° | 50.0° |
C1' | N1' | C10 | H2 | 168.7° | 70.0° |
C1' | N1' | C2' | H13 | 156.8° | 94.1° |
C1' | N1' | C2' | H14 | 80.4° | 144.8° |
N1' | C1' | H16 | H17 | 121.7° | 123.1° |
N1' | C1' | C4' | H18 | 121.6° | 81.1° |
C2' | N1' | C1' | C4' | 20.5° | 39.1° |
N1' | C2' | C3' | H13 | 118.6° | 119.4° |
N1' | C2' | C3' | H14 | 118.6° | 119.6° |
N1' | C2' | C3' | C4' | 41.3° | 1.3° |
N1' | C2' | C3' | O3' | 78.7° | 117.7° |
C2' | N1' | C10 | H1 | 159.7° | 167.4° |
C2' | N1' | C10 | H2 | 42.1° | 47.4° |
N1' | C2' | C3' | H12 | 159.5° | 120.3° |
N1' | C2' | H13 | H14 | 123.9° | 121.3° |
C2' | N1' | C1' | H16 | 98.9° | 79.2° |
C2' | N1' | C1' | H17 | 139.9° | 157.6° |
C1' | C4' | C3' | C2' | 29.2° | 21.9° |
C1' | C4' | C20 | C3' | 118.0° | 113.5° |
C1' | C4' | C20 | H18 | 120.8° | 123.1° |
C1' | C4' | C3' | H18 | 115.8° | 118.3° |
C1' | C4' | C20 | C21 | 89.1° | 66.5° |
C1' | C4' | C3' | O3' | 87.7° | 140.8° |
C1' | C4' | C20 | H3 | 150.2° | 53.6° |
C1' | C4' | C20 | H4 | 31.5° | 173.5° |
C1' | C4' | C3' | H12 | 147.6° | 97.1° |
C4' | C1' | H16 | H17 | 121.8° | 123.0° |
N3 | C2 | N1 | H22 | 180.0° | 179.9° |
C2' | C3' | C4' | C20 | 93.9° | 140.2° |
C2' | C3' | C4' | O3' | 116.9° | 119.0° |
C2' | C3' | C4' | H12 | 118.4° | 119.0° |
C2' | C3' | O3' | H12 | 121.1° | 122.1° |
C2' | C3' | O3' | H11 | 180.0° | 62.7° |
C3' | C2' | H13 | H14 | 124.0° | 121.1° |
C2' | C3' | C4' | H18 | 145.0° | 96.5° |
C20 | C4' | C3' | H18 | 121.1° | 123.3° |
C4' | C20 | C21 | H3 | 120.7° | 120.0° |
C4' | C20 | C21 | H4 | 120.7° | 120.0° |
C4' | C20 | C21 | C22 | 112.7° | 180.0° |
C20 | C4' | C3' | O3' | 149.2° | 100.8° |
C4' | C20 | H3 | H4 | 118.0° | 120.0° |
C4' | C20 | C21 | H5 | 126.5° | 60.0° |
C4' | C20 | C21 | H6 | 8.1° | 60.0° |
C20 | C4' | C3' | H12 | 24.4° | 21.2° |
C20 | C4' | C1' | H16 | 1.7° | 37.3° |
C20 | C4' | C1' | H17 | 122.9° | 85.7° |
C3' | C4' | C20 | C21 | 152.8° | 179.9° |
C4' | C3' | O3' | H12 | 124.0° | 122.1° |
C3' | C4' | C20 | H3 | 32.2° | 59.9° |
C3' | C4' | C20 | H4 | 86.5° | 60.1° |
C4' | C3' | O3' | H11 | 65.1° | 178.6° |
C4' | C3' | C2' | H13 | 159.9° | 118.1° |
C4' | C3' | C2' | H14 | 77.3° | 120.8° |
C3' | C4' | C1' | H16 | 125.1° | 81.2° |
C3' | C4' | C1' | H17 | 113.6° | 155.8° |
C20 | C21 | C22 | H5 | 120.9° | 120.0° |
C20 | C21 | C22 | H6 | 120.8° | 120.0° |
C21 | C20 | H3 | H4 | 118.0° | 120.0° |
C20 | C21 | H5 | H6 | 117.4° | 120.0° |
C20 | C21 | C22 | H8 | 180.0° | 60.0° |
C20 | C21 | C22 | H9 | 60.0° | 60.0° |
C20 | C21 | C22 | H10 | 60.0° | 180.0° |
C21 | C20 | C4' | H18 | 31.6° | 56.7° |
C22 | C21 | C20 | H3 | 8.0° | 60.0° |
C22 | C21 | C20 | H4 | 126.7° | 60.0° |
C22 | C21 | H5 | H6 | 117.4° | 120.0° |
C21 | C22 | H8 | H9 | 120.0° | 120.0° |
C21 | C22 | H8 | H10 | 120.0° | 120.0° |
C21 | C22 | H9 | H10 | 120.0° | 120.0° |
O3' | C3' | C2' | H13 | 39.9° | 122.9° |
O3' | C3' | C2' | H14 | 162.7° | 1.8° |
O3' | C3' | C4' | H18 | 28.1° | 22.5° |
H3 | C20 | C21 | H5 | 112.9° | 60.0° |
H3 | C20 | C21 | H6 | 128.8° | 180.0° |
H3 | C20 | C4' | H18 | 89.0° | 176.7° |
H4 | C20 | C21 | H5 | 5.8° | NaN° |
H4 | C20 | C21 | H6 | 112.5° | 60.0° |
H4 | C20 | C4' | H18 | 152.3° | 63.3° |
H5 | C21 | C22 | H8 | 59.1° | NaN° |
H5 | C21 | C22 | H9 | 179.1° | 60.0° |
H5 | C21 | C22 | H10 | 60.9° | 60.0° |
H6 | C21 | C22 | H8 | 59.2° | 60.0° |
H6 | C21 | C22 | H9 | 60.8° | 180.0° |
H6 | C21 | C22 | H10 | 179.2° | 60.0° |
H7 | C8 | N7 | H19 | 1.3° | 0.1° |
H8 | C22 | H9 | H10 | 120.0° | 120.0° |
H11 | O3' | C3' | H12 | 58.9° | 59.3° |
H12 | C3' | C2' | H13 | 81.9° | 0.9° |
H12 | C3' | C2' | H14 | 40.9° | 120.2° |
H12 | C3' | C4' | H18 | 96.6° | 144.5° |
H16 | C1' | C4' | H18 | 119.0° | 160.4° |
H17 | C1' | C4' | H18 | 2.2° | 37.4° |