7A6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N6 | C6 | sing | 1.39Å | 1.36Å | |
C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
C6 | C5 | sing | 1.40Å | 1.47Å | Aromatic |
N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
N7 | C5 | sing | 1.37Å | 1.37Å | Aromatic |
N7 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
C5 | C4 | doub | 1.41Å | 1.46Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
C8 | C9 | doub | 1.35Å | 1.39Å | Aromatic |
C4 | N3 | sing | 1.34Å | 1.35Å | Aromatic |
C4 | C9 | sing | 1.46Å | 1.46Å | Aromatic |
C9 | C1' | sing | 1.51Å | 1.50Å | |
C1' | N4' | sing | 1.49Å | 1.49Å | |
C1' | C2' | sing | 1.55Å | 1.54Å | |
S5' | C5' | sing | 1.81Å | 1.77Å | |
S5' | CS | sing | 1.81Å | 1.74Å | |
N4' | C4' | sing | 1.48Å | 1.49Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C3' | sing | 1.55Å | 1.54Å | |
C5' | C4' | sing | 1.53Å | 1.53Å | |
CS | C1 | sing | 1.53Å | 1.51Å | |
C4' | C3' | sing | 1.54Å | 1.52Å | |
C3' | O3' | sing | 1.43Å | 1.44Å | |
C1 | C3 | sing | 1.53Å | 1.50Å | |
O3' | H1 | sing | 0.97Å | 0.95Å | |
C3' | H2 | sing | 1.09Å | 1.10Å | |
C4' | H3 | sing | 1.09Å | 1.10Å | |
C5' | H4 | sing | 1.09Å | 1.10Å | |
C5' | H5 | sing | 1.09Å | 1.10Å | |
CS | H6 | sing | 1.09Å | 1.10Å | |
CS | H7 | sing | 1.09Å | 1.10Å | |
C2' | H8 | sing | 1.09Å | 1.10Å | |
O2' | H9 | sing | 0.97Å | 0.95Å | |
C1' | H10 | sing | 1.09Å | 1.10Å | |
N4' | H11 | sing | 1.01Å | 1.00Å | |
N7 | H13 | sing | 0.97Å | 1.00Å | |
C8 | H14 | sing | 1.08Å | 1.08Å | |
C2 | H15 | sing | 1.08Å | 1.08Å | |
N6 | H16 | sing | 0.97Å | 1.00Å | |
N6 | H17 | sing | 0.97Å | 1.00Å | |
C1 | H18 | sing | 1.09Å | 1.10Å | |
C1 | H19 | sing | 1.09Å | 1.10Å | |
C3 | H20 | sing | 1.09Å | 1.10Å | |
C3 | H21 | sing | 1.09Å | 1.10Å | |
C3 | H22 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N6 | C6 | N1 | 121.3° | 120.7° |
N6 | C6 | C5 | 121.6° | 120.7° |
C6 | N6 | H16 | 109.5° | 120.0° |
C6 | N6 | H17 | 109.5° | 120.0° |
N1 | C6 | C5 | 117.1° | 118.5° |
C6 | N1 | C2 | 123.7° | 121.4° |
C6 | C5 | N7 | 136.1° | 134.6° |
C6 | C5 | C4 | 115.0° | 118.1° |
N1 | C2 | N3 | 123.0° | 122.3° |
N1 | C2 | H15 | 118.5° | 118.9° |
C5 | N7 | C8 | 109.9° | 109.9° |
N7 | C5 | C4 | 108.8° | 107.3° |
C5 | N7 | H13 | 125.1° | 125.1° |
N7 | C8 | C9 | 109.6° | 109.8° |
C8 | N7 | H13 | 125.1° | 125.0° |
N7 | C8 | H14 | 125.2° | 125.1° |
C5 | C4 | N3 | 123.3° | 119.2° |
C5 | C4 | C9 | 103.7° | 106.0° |
C2 | N3 | C4 | 117.9° | 120.4° |
N3 | C2 | H15 | 118.5° | 118.8° |
C8 | C9 | C4 | 107.9° | 107.1° |
C8 | C9 | C1' | 123.9° | 126.4° |
C9 | C8 | H14 | 125.2° | 125.1° |
N3 | C4 | C9 | 132.9° | 134.9° |
C4 | C9 | C1' | 128.2° | 126.5° |
C9 | C1' | N4' | 112.2° | 110.7° |
C9 | C1' | C2' | 117.9° | 110.7° |
C9 | C1' | H10 | 107.7° | 110.7° |
N4' | C1' | C2' | 103.5° | 103.2° |
C1' | N4' | C4' | 107.9° | 105.8° |
N4' | C1' | H10 | 107.8° | 110.6° |
C1' | N4' | H11 | 109.9° | 111.0° |
C1' | C2' | O2' | 110.6° | 110.7° |
C1' | C2' | C3' | 107.4° | 102.9° |
C1' | C2' | H8 | 107.9° | 110.9° |
C2' | C1' | H10 | 107.3° | 110.6° |
C5' | S5' | CS | 107.1° | 103.0° |
S5' | C5' | C4' | 111.3° | 109.5° |
S5' | C5' | H4 | 109.0° | 109.5° |
S5' | C5' | H5 | 109.0° | 109.5° |
S5' | CS | C1 | 108.7° | 109.5° |
S5' | CS | H6 | 109.6° | 109.5° |
S5' | CS | H7 | 109.7° | 109.5° |
N4' | C4' | C5' | 112.2° | 110.1° |
N4' | C4' | C3' | 103.8° | 107.1° |
N4' | C4' | H3 | 110.4° | 109.9° |
C4' | N4' | H11 | 109.9° | 110.9° |
O2' | C2' | C3' | 113.7° | 110.7° |
O2' | C2' | H8 | 109.2° | 110.6° |
C2' | O2' | H9 | 109.5° | 114.0° |
C2' | C3' | C4' | 105.4° | 105.3° |
C2' | C3' | O3' | 112.9° | 110.3° |
C2' | C3' | H2 | 109.2° | 110.3° |
C3' | C2' | H8 | 107.9° | 110.7° |
C5' | C4' | C3' | 110.4° | 110.0° |
C5' | C4' | H3 | 109.8° | 109.9° |
C4' | C5' | H4 | 109.0° | 109.5° |
C4' | C5' | H5 | 109.0° | 109.5° |
CS | C1 | C3 | 107.3° | 109.5° |
C1 | CS | H6 | 109.7° | 109.5° |
C1 | CS | H7 | 109.7° | 109.5° |
CS | C1 | H18 | 110.0° | 109.5° |
CS | C1 | H19 | 110.0° | 109.5° |
C4' | C3' | O3' | 109.0° | 110.3° |
C4' | C3' | H2 | 109.5° | 110.3° |
C3' | C4' | H3 | 110.1° | 109.9° |
C3' | O3' | H1 | 109.5° | 114.1° |
O3' | C3' | H2 | 110.6° | 110.2° |
C3 | C1 | H18 | 110.0° | 109.4° |
C3 | C1 | H19 | 110.0° | 109.5° |
C1 | C3 | H20 | 109.5° | 109.5° |
C1 | C3 | H21 | 109.4° | 109.4° |
C1 | C3 | H22 | 109.4° | 109.5° |
H4 | C5' | H5 | 109.5° | 109.5° |
H6 | CS | H7 | 109.5° | 109.5° |
H16 | N6 | H17 | 109.5° | 120.0° |
H18 | C1 | H19 | 109.4° | 109.4° |
H20 | C3 | H21 | 109.5° | 109.5° |
H20 | C3 | H22 | 109.5° | 109.5° |
H21 | C3 | H22 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N6 | C6 | N1 | C5 | 180.0° | 179.9° |
N6 | C6 | N1 | C2 | 179.7° | 179.9° |
N6 | C6 | C5 | N7 | 0.1° | 0.0° |
N6 | C6 | C5 | C4 | 179.8° | 180.0° |
C6 | N6 | H16 | H17 | 120.0° | 179.9° |
N1 | C6 | C5 | N7 | 179.9° | 180.0° |
N1 | C6 | C5 | C4 | 0.2° | 0.1° |
C6 | N1 | C2 | N3 | 0.3° | 0.1° |
C6 | N1 | C2 | H15 | 179.7° | 180.0° |
N1 | C6 | N6 | H16 | 0.0° | 0.0° |
N1 | C6 | N6 | H17 | 120.0° | 180.0° |
C5 | C6 | N1 | C2 | 0.3° | 0.1° |
C6 | C5 | N7 | C4 | 179.9° | 179.9° |
C6 | C5 | N7 | C8 | 179.7° | 179.8° |
C6 | C5 | C4 | N3 | 0.0° | 0.1° |
C6 | C5 | C4 | C9 | 180.0° | 180.0° |
C6 | C5 | N7 | H13 | 0.4° | 0.0° |
C5 | C6 | N6 | H16 | 180.0° | 179.9° |
C5 | C6 | N6 | H17 | 60.0° | 0.0° |
N1 | C2 | N3 | H15 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.2° | 0.0° |
C5 | N7 | C8 | H13 | 180.0° | 179.8° |
C5 | N7 | C8 | C9 | 0.6° | 0.4° |
N7 | C5 | C4 | N3 | 180.0° | 180.0° |
N7 | C5 | C4 | C9 | 0.1° | 0.0° |
C5 | N7 | C8 | H14 | 179.4° | 180.0° |
C8 | N7 | C5 | C4 | 0.4° | 0.3° |
N7 | C8 | C9 | H14 | 180.0° | 179.6° |
N7 | C8 | C9 | C4 | 0.6° | 0.4° |
N7 | C8 | C9 | C1' | 179.3° | 179.8° |
C5 | C4 | N3 | C2 | 0.1° | 0.0° |
C5 | C4 | C9 | C8 | 0.3° | 0.2° |
C5 | C4 | N3 | C9 | 180.0° | 179.9° |
C5 | C4 | C9 | C1' | 179.6° | 180.0° |
C4 | C5 | N7 | H13 | 179.5° | 179.9° |
C2 | N3 | C4 | C9 | 180.0° | 180.0° |
C8 | C9 | C4 | N3 | 179.6° | 179.7° |
C8 | C9 | C4 | C1' | 179.9° | 179.8° |
C8 | C9 | C1' | N4' | 49.9° | 23.3° |
C8 | C9 | C1' | C2' | 169.9° | 90.6° |
C8 | C9 | C1' | H10 | 68.6° | 146.3° |
C9 | C8 | N7 | H13 | 179.3° | 179.8° |
N3 | C4 | C9 | C1' | 0.5° | 0.1° |
C4 | N3 | C2 | H15 | 179.8° | 180.0° |
C4 | C9 | C1' | N4' | 130.2° | 156.5° |
C4 | C9 | C1' | C2' | 10.2° | 89.7° |
C4 | C9 | C1' | H10 | 111.3° | 33.4° |
C4 | C9 | C8 | H14 | 179.4° | 180.0° |
C9 | C1' | N4' | C2' | 128.1° | 118.5° |
C9 | C1' | N4' | H10 | 118.4° | 123.1° |
C9 | C1' | C2' | H10 | 121.7° | 123.2° |
C9 | C1' | N4' | C4' | 98.1° | 157.6° |
C9 | C1' | C2' | O2' | 123.3° | 85.8° |
C9 | C1' | C2' | C3' | 112.1° | 155.8° |
C9 | C1' | C2' | H8 | 4.0° | 37.4° |
C9 | C1' | N4' | H11 | 21.6° | 37.2° |
C1' | C9 | C8 | H14 | 0.7° | 0.2° |
N4' | C1' | C2' | H10 | 113.9° | 118.3° |
C1' | N4' | C4' | H11 | 119.8° | 120.5° |
N4' | C1' | C2' | O2' | 112.3° | 155.7° |
N4' | C1' | C2' | C3' | 12.4° | 37.4° |
C1' | N4' | C4' | C5' | 83.2° | 144.7° |
C1' | N4' | C4' | C3' | 36.0° | 25.2° |
C1' | N4' | C4' | H3 | 154.0° | 94.2° |
N4' | C1' | C2' | H8 | 128.4° | 81.1° |
C2' | C1' | N4' | C4' | 30.0° | 39.1° |
C1' | C2' | O2' | C3' | 121.0° | 113.5° |
C1' | C2' | O2' | H8 | 118.5° | 123.4° |
C1' | C2' | C3' | H8 | 116.0° | 118.5° |
C1' | C2' | C3' | C4' | 8.8° | 22.0° |
C1' | C2' | C3' | O3' | 110.0° | 97.0° |
C1' | C2' | C3' | H2 | 126.4° | 141.0° |
C1' | C2' | O2' | H9 | 180.0° | 174.9° |
C2' | C1' | N4' | H11 | 149.7° | 81.3° |
S5' | C5' | C4' | N4' | 45.8° | 67.3° |
S5' | C5' | C4' | H4 | 120.3° | 120.0° |
S5' | C5' | C4' | H5 | 120.3° | 120.0° |
C5' | S5' | CS | C1 | 74.7° | 180.0° |
S5' | C5' | C4' | C3' | 161.1° | 175.0° |
S5' | C5' | C4' | H3 | 77.4° | 53.9° |
S5' | C5' | H4 | H5 | 119.2° | 120.0° |
C5' | S5' | CS | H6 | 45.2° | 60.0° |
C5' | S5' | CS | H7 | 165.4° | 60.0° |
CS | S5' | C5' | C4' | 102.9° | 180.0° |
S5' | CS | C1 | H6 | 119.9° | 120.0° |
S5' | CS | C1 | H7 | 119.9° | 120.0° |
S5' | CS | C1 | C3 | 139.0° | 180.0° |
CS | S5' | C5' | H4 | 136.8° | 60.0° |
CS | S5' | C5' | H5 | 17.4° | 60.0° |
S5' | CS | H6 | H7 | 120.3° | 120.0° |
S5' | CS | C1 | H18 | 19.3° | 60.0° |
S5' | CS | C1 | H19 | 101.3° | 60.0° |
N4' | C4' | C3' | C2' | 26.6° | 1.1° |
N4' | C4' | C5' | C3' | 115.3° | 117.7° |
N4' | C4' | C5' | H3 | 123.2° | 121.2° |
N4' | C4' | C3' | H3 | 118.2° | 119.3° |
N4' | C4' | C3' | O3' | 94.8° | 120.1° |
N4' | C4' | C3' | H2 | 144.0° | 117.8° |
N4' | C4' | C5' | H4 | 74.5° | 172.7° |
N4' | C4' | C5' | H5 | 166.1° | 52.7° |
C4' | N4' | C1' | H10 | 143.4° | 79.2° |
O2' | C2' | C3' | H8 | 121.2° | 123.1° |
O2' | C2' | C3' | C4' | 131.6° | 140.4° |
O2' | C2' | C3' | O3' | 12.7° | 21.4° |
O2' | C2' | C3' | H2 | 110.8° | 100.7° |
O2' | C2' | C1' | H10 | 1.6° | 37.4° |
C2' | C3' | C4' | C5' | 93.8° | 120.7° |
C2' | C3' | C4' | O3' | 121.4° | 119.0° |
C2' | C3' | C4' | H2 | 117.4° | 119.0° |
C2' | C3' | O3' | H2 | 122.8° | 122.1° |
C2' | C3' | O3' | H1 | 180.0° | 62.7° |
C2' | C3' | C4' | H3 | 144.8° | 118.2° |
C3' | C2' | O2' | H9 | 59.1° | 61.5° |
C3' | C2' | C1' | H10 | 126.2° | 81.0° |
C5' | C4' | C3' | H3 | 121.4° | 121.1° |
C5' | C4' | C3' | O3' | 144.8° | 120.3° |
C5' | C4' | C3' | H2 | 23.6° | 1.7° |
C4' | C5' | H4 | H5 | 119.1° | 120.0° |
C5' | C4' | N4' | H11 | 36.5° | 24.2° |
CS | C1 | C3 | H18 | 119.7° | 120.0° |
CS | C1 | C3 | H19 | 119.7° | 120.0° |
C1 | CS | H6 | H7 | 120.4° | 120.0° |
CS | C1 | H18 | H19 | 120.9° | 120.0° |
CS | C1 | C3 | H20 | 180.0° | 180.0° |
CS | C1 | C3 | H21 | 60.0° | 60.0° |
CS | C1 | C3 | H22 | 60.0° | 59.9° |
C4' | C3' | O3' | H2 | 120.5° | 122.1° |
C4' | C3' | O3' | H1 | 63.2° | 178.6° |
C3' | C4' | C5' | H4 | 40.8° | 55.0° |
C3' | C4' | C5' | H5 | 78.7° | 65.0° |
C4' | C3' | C2' | H8 | 107.2° | 96.5° |
C3' | C4' | N4' | H11 | 155.7° | 95.3° |
O3' | C3' | C4' | H3 | 23.4° | 0.8° |
O3' | C3' | C2' | H8 | 133.9° | 144.5° |
C3 | C1 | CS | H6 | 101.2° | 60.0° |
C3 | C1 | CS | H7 | 19.1° | 60.0° |
C3 | C1 | H18 | H19 | 121.0° | 120.0° |
C1 | C3 | H20 | H21 | 120.0° | 120.0° |
C1 | C3 | H20 | H22 | 120.0° | 120.0° |
C1 | C3 | H21 | H22 | 120.0° | 119.9° |
H1 | O3' | C3' | H2 | 57.2° | 59.3° |
H2 | C3' | C4' | H3 | 97.8° | 122.8° |
H2 | C3' | C2' | H8 | 10.4° | 22.5° |
H3 | C4' | C5' | H4 | 162.3° | 66.1° |
H3 | C4' | C5' | H5 | 42.9° | 173.9° |
H3 | C4' | N4' | H11 | 86.3° | 145.4° |
H6 | CS | C1 | H18 | 139.1° | 180.0° |
H6 | CS | C1 | H19 | 18.5° | 60.0° |
H7 | CS | C1 | H18 | 100.6° | 60.0° |
H7 | CS | C1 | H19 | 138.8° | 180.0° |
H8 | C2' | O2' | H9 | 61.5° | 61.7° |
H8 | C2' | C1' | H10 | 117.8° | 160.6° |
H10 | C1' | N4' | H11 | 96.8° | 160.3° |
H13 | N7 | C8 | H14 | 0.7° | 0.1° |
H18 | C1 | C3 | H20 | 60.3° | 60.0° |
H18 | C1 | C3 | H21 | 179.7° | 180.0° |
H18 | C1 | C3 | H22 | 59.7° | 60.1° |
H19 | C1 | C3 | H20 | 60.3° | 60.0° |
H19 | C1 | C3 | H21 | 59.7° | 60.0° |
H19 | C1 | C3 | H22 | 179.7° | 180.0° |
H20 | C3 | H21 | H22 | 120.0° | 120.1° |