9ZA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N6 | C6 | sing | 1.38Å | 1.36Å | |
C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
C6 | C5 | sing | 1.41Å | 1.46Å | Aromatic |
N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
C5 | N7 | sing | 1.35Å | 1.34Å | Aromatic |
C5 | C4 | doub | 1.41Å | 1.45Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
C4 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
C4 | N9 | sing | 1.37Å | 1.32Å | Aromatic |
C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
N9 | C1' | sing | 1.47Å | 1.47Å | |
C1' | C2' | sing | 1.55Å | 1.52Å | |
C1' | O4' | sing | 1.45Å | 1.41Å | |
O2' | C2' | sing | 1.43Å | 1.43Å | |
C2' | C3' | sing | 1.55Å | 1.53Å | |
O4' | C4' | sing | 1.44Å | 1.43Å | |
C3' | C4' | sing | 1.55Å | 1.53Å | |
C3' | O3' | sing | 1.43Å | 1.44Å | |
C4' | C5' | sing | 1.53Å | 1.52Å | |
C5' | O5' | sing | 1.43Å | 1.42Å | |
O5' | P | sing | 1.61Å | 1.60Å | |
O10 | C7 | doub | 1.21Å | 1.22Å | |
O2P | P | doub | 1.48Å | 1.51Å | |
N2 | P | sing | 1.68Å | 1.72Å | |
N2 | C3 | sing | 1.47Å | 1.45Å | |
P | O3P | sing | 1.61Å | 1.50Å | |
C7 | C3 | sing | 1.51Å | 1.48Å | |
C7 | O11 | sing | 1.34Å | 1.43Å | |
C9 | C3 | sing | 1.53Å | 1.53Å | |
C12 | O11 | sing | 1.45Å | 1.43Å | |
O3P | H1 | sing | 0.97Å | 0.95Å | |
C5' | H2 | sing | 1.09Å | 1.10Å | |
C5' | H3 | sing | 1.09Å | 1.10Å | |
C4' | H4 | sing | 1.09Å | 1.10Å | |
C3' | H5 | sing | 1.09Å | 1.10Å | |
O3' | H6 | sing | 0.97Å | 0.95Å | |
C2' | H7 | sing | 1.09Å | 1.10Å | |
O2' | H8 | sing | 0.97Å | 0.95Å | |
C1' | H9 | sing | 1.09Å | 1.10Å | |
C8 | H10 | sing | 1.08Å | 1.08Å | |
C2 | H11 | sing | 1.08Å | 1.08Å | |
N6 | H12 | sing | 0.97Å | 1.00Å | |
N6 | H13 | sing | 0.97Å | 1.00Å | |
N2 | H14 | sing | 1.01Å | 1.00Å | |
C3 | H15 | sing | 1.09Å | 1.10Å | |
C9 | H16 | sing | 1.09Å | 1.10Å | |
C9 | H17 | sing | 1.09Å | 1.10Å | |
C9 | H18 | sing | 1.09Å | 1.10Å | |
C12 | H19 | sing | 1.09Å | 1.10Å | |
C12 | H20 | sing | 1.09Å | 1.10Å | |
C12 | H21 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N6 | C6 | N1 | 122.1° | 120.8° |
N6 | C6 | C5 | 120.0° | 120.7° |
C6 | N6 | H12 | 109.5° | 120.0° |
C6 | N6 | H13 | 109.5° | 120.1° |
N1 | C6 | C5 | 117.9° | 118.5° |
C6 | N1 | C2 | 122.5° | 121.2° |
C6 | C5 | N7 | 136.2° | 134.7° |
C6 | C5 | C4 | 116.1° | 118.1° |
N1 | C2 | N3 | 123.1° | 122.4° |
N1 | C2 | H11 | 118.4° | 118.8° |
N7 | C5 | C4 | 107.7° | 107.2° |
C5 | N7 | C8 | 107.5° | 109.4° |
C5 | C4 | N3 | 121.4° | 119.1° |
C5 | C4 | N9 | 105.0° | 106.0° |
C2 | N3 | C4 | 119.1° | 120.7° |
N3 | C2 | H11 | 118.5° | 118.8° |
N7 | C8 | N9 | 109.3° | 110.0° |
N7 | C8 | H10 | 125.3° | 125.0° |
N3 | C4 | N9 | 133.6° | 134.9° |
C4 | N9 | C8 | 110.5° | 107.4° |
C4 | N9 | C1' | 123.1° | 126.3° |
C8 | N9 | C1' | 126.4° | 126.3° |
N9 | C8 | H10 | 125.3° | 125.0° |
N9 | C1' | C2' | 114.3° | 110.4° |
N9 | C1' | O4' | 106.6° | 110.4° |
N9 | C1' | H9 | 110.3° | 110.4° |
C2' | C1' | O4' | 104.6° | 104.9° |
C1' | C2' | O2' | 110.4° | 110.6° |
C1' | C2' | C3' | 101.4° | 104.1° |
C1' | C2' | H7 | 109.4° | 110.5° |
C2' | C1' | H9 | 109.6° | 110.4° |
C1' | O4' | C4' | 105.4° | 105.2° |
O4' | C1' | H9 | 111.2° | 110.3° |
O2' | C2' | C3' | 115.1° | 110.5° |
O2' | C2' | H7 | 110.7° | 110.4° |
C2' | O2' | H8 | 109.5° | 114.0° |
C2' | C3' | C4' | 103.5° | 104.0° |
C2' | C3' | O3' | 113.0° | 110.5° |
C2' | C3' | H5 | 109.7° | 110.6° |
C3' | C2' | H7 | 109.3° | 110.6° |
O4' | C4' | C3' | 107.4° | 104.9° |
O4' | C4' | C5' | 107.2° | 110.4° |
O4' | C4' | H4 | 110.4° | 110.4° |
C4' | C3' | O3' | 109.9° | 110.5° |
C3' | C4' | C5' | 113.7° | 110.4° |
C3' | C4' | H4 | 108.9° | 110.4° |
C4' | C3' | H5 | 109.6° | 110.5° |
O3' | C3' | H5 | 111.0° | 110.5° |
C3' | O3' | H6 | 109.5° | 113.9° |
C4' | C5' | O5' | 107.4° | 109.5° |
C4' | C5' | H2 | 110.0° | 109.5° |
C4' | C5' | H3 | 110.0° | 109.5° |
C5' | C4' | H4 | 109.1° | 110.4° |
C5' | O5' | P | 120.1° | 123.0° |
O5' | C5' | H2 | 110.0° | 109.4° |
O5' | C5' | H3 | 110.0° | 109.4° |
O5' | P | O2P | 109.5° | 109.5° |
O5' | P | N2 | 107.1° | 109.5° |
O5' | P | O3P | 104.6° | 109.4° |
O10 | C7 | C3 | 123.5° | 120.0° |
O10 | C7 | O11 | 119.6° | 120.0° |
O2P | P | N2 | 105.1° | 109.5° |
O2P | P | O3P | 119.5° | 109.5° |
P | N2 | C3 | 120.5° | 111.0° |
N2 | P | O3P | 110.6° | 109.5° |
P | N2 | H14 | 106.7° | 111.0° |
N2 | C3 | C7 | 107.6° | 109.5° |
N2 | C3 | C9 | 114.0° | 109.5° |
C3 | N2 | H14 | 106.7° | 111.0° |
N2 | C3 | H15 | 109.5° | 109.4° |
P | O3P | H1 | 109.5° | 114.0° |
C3 | C7 | O11 | 116.9° | 120.0° |
C7 | C3 | C9 | 108.0° | 109.5° |
C7 | C3 | H15 | 109.1° | 109.5° |
C7 | O11 | C12 | 118.2° | 117.0° |
C9 | C3 | H15 | 108.5° | 109.5° |
C3 | C9 | H16 | 109.5° | 109.5° |
C3 | C9 | H17 | 109.5° | 109.4° |
C3 | C9 | H18 | 109.5° | 109.5° |
O11 | C12 | H19 | 109.5° | 109.5° |
O11 | C12 | H20 | 109.5° | 109.5° |
O11 | C12 | H21 | 109.5° | 109.5° |
H2 | C5' | H3 | 109.5° | 109.5° |
H12 | N6 | H13 | 109.4° | 120.0° |
H16 | C9 | H17 | 109.4° | 109.5° |
H16 | C9 | H18 | 109.5° | 109.5° |
H17 | C9 | H18 | 109.5° | 109.4° |
H19 | C12 | H20 | 109.5° | 109.5° |
H19 | C12 | H21 | 109.5° | 109.4° |
H20 | C12 | H21 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N6 | C6 | N1 | C5 | 179.8° | 179.6° |
N6 | C6 | N1 | C2 | 179.4° | 180.0° |
N6 | C6 | C5 | N7 | 0.2° | 0.4° |
N6 | C6 | C5 | C4 | 179.2° | 180.0° |
C6 | N6 | H12 | H13 | 120.0° | 180.0° |
N1 | C6 | C5 | N7 | 179.6° | 179.9° |
N1 | C6 | C5 | C4 | 0.5° | 0.4° |
C6 | N1 | C2 | N3 | 0.0° | 0.2° |
C6 | N1 | C2 | H11 | 179.9° | 179.8° |
N1 | C6 | N6 | H12 | 0.0° | 0.0° |
N1 | C6 | N6 | H13 | 120.0° | 180.0° |
C5 | C6 | N1 | C2 | 0.4° | 0.4° |
C6 | C5 | N7 | C4 | 179.1° | 179.6° |
C6 | C5 | N7 | C8 | 179.9° | 180.0° |
C6 | C5 | C4 | N3 | 0.3° | 0.3° |
C6 | C5 | C4 | N9 | 179.2° | 179.8° |
C5 | C6 | N6 | H12 | 179.8° | 179.6° |
C5 | C6 | N6 | H13 | 60.3° | 0.4° |
N1 | C2 | N3 | H11 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.3° | 0.0° |
N7 | C5 | C4 | N3 | 179.6° | 180.0° |
N7 | C5 | C4 | N9 | 0.1° | 0.1° |
C5 | N7 | C8 | N9 | 1.4° | 0.5° |
C5 | N7 | C8 | H10 | 178.6° | 180.0° |
C5 | C4 | N3 | C2 | 0.1° | 0.1° |
C4 | C5 | N7 | C8 | 0.8° | 0.3° |
C5 | C4 | N3 | N9 | 179.4° | 179.9° |
C5 | C4 | N9 | C8 | 1.0° | 0.2° |
C5 | C4 | N9 | C1' | 178.7° | 179.9° |
C2 | N3 | C4 | N9 | 179.5° | 180.0° |
N7 | C8 | N9 | C4 | 1.5° | 0.4° |
N7 | C8 | N9 | H10 | 180.0° | 179.6° |
N7 | C8 | N9 | C1' | 179.2° | 179.9° |
N3 | C4 | N9 | C8 | 179.5° | 179.7° |
N3 | C4 | N9 | C1' | 1.8° | 0.0° |
C4 | N3 | C2 | H11 | 179.7° | 180.0° |
C4 | N9 | C8 | C1' | 177.6° | 179.7° |
C4 | N9 | C1' | C2' | 137.6° | 85.0° |
C4 | N9 | C1' | O4' | 107.4° | 159.6° |
C4 | N9 | C1' | H9 | 13.4° | 37.3° |
C4 | N9 | C8 | H10 | 178.5° | 180.0° |
C8 | N9 | C1' | C2' | 45.1° | 95.3° |
C8 | N9 | C1' | O4' | 70.0° | 20.1° |
C8 | N9 | C1' | H9 | 169.2° | 142.3° |
N9 | C1' | C2' | O4' | 116.2° | 118.9° |
N9 | C1' | C2' | H9 | 124.5° | 122.3° |
N9 | C1' | O4' | H9 | 120.3° | 122.3° |
N9 | C1' | C2' | O2' | 81.6° | 98.5° |
N9 | C1' | C2' | C3' | 155.9° | 142.8° |
N9 | C1' | O4' | C4' | 163.2° | 159.3° |
N9 | C1' | C2' | H7 | 40.4° | 24.1° |
C1' | N9 | C8 | H10 | 0.8° | 0.3° |
C2' | C1' | O4' | H9 | 118.3° | 118.9° |
C1' | C2' | O2' | C3' | 114.1° | 114.7° |
C1' | C2' | O2' | H7 | 121.3° | 122.7° |
C1' | C2' | C3' | H7 | 115.5° | 118.7° |
C2' | C1' | O4' | C4' | 41.8° | 40.4° |
C1' | C2' | C3' | C4' | 22.4° | 0.0° |
C1' | C2' | C3' | O3' | 96.4° | 118.6° |
C1' | C2' | C3' | H5 | 139.2° | 118.7° |
C1' | C2' | O2' | H8 | 180.0° | 176.1° |
O4' | C1' | C2' | O2' | 162.2° | 142.7° |
O4' | C1' | C2' | C3' | 39.7° | 24.0° |
C1' | O4' | C4' | C3' | 26.6° | 40.4° |
C1' | O4' | C4' | C5' | 149.2° | 159.2° |
C1' | O4' | C4' | H4 | 92.1° | 78.5° |
O4' | C1' | C2' | H7 | 75.7° | 94.7° |
O2' | C2' | C3' | H7 | 125.3° | 122.6° |
O2' | C2' | C3' | C4' | 141.6° | 118.8° |
O2' | C2' | C3' | O3' | 22.8° | 0.2° |
O2' | C2' | C3' | H5 | 101.5° | 122.5° |
O2' | C2' | C1' | H9 | 42.9° | 23.9° |
C2' | C3' | C4' | O4' | 1.2° | 23.9° |
C2' | C3' | C4' | O3' | 121.0° | 118.7° |
C2' | C3' | C4' | H5 | 116.9° | 118.8° |
C2' | C3' | O3' | H5 | 123.7° | 122.8° |
C2' | C3' | C4' | C5' | 119.6° | 142.8° |
C2' | C3' | C4' | H4 | 118.4° | 95.0° |
C2' | C3' | O3' | H6 | 180.0° | 65.3° |
C3' | C2' | O2' | H8 | 65.9° | 61.4° |
C3' | C2' | C1' | H9 | 79.6° | 94.8° |
O4' | C4' | C3' | C5' | 118.4° | 118.9° |
O4' | C4' | C3' | H4 | 119.6° | 118.9° |
O4' | C4' | C3' | O3' | 122.1° | 142.6° |
O4' | C4' | C5' | H4 | 119.6° | 122.3° |
O4' | C4' | C5' | O5' | 165.5° | 68.0° |
O4' | C4' | C5' | H2 | 74.8° | 52.0° |
O4' | C4' | C5' | H3 | 45.8° | 172.1° |
O4' | C4' | C3' | H5 | 115.7° | 94.9° |
C4' | O4' | C1' | H9 | 76.5° | 78.5° |
C4' | C3' | O3' | H5 | 121.3° | 122.6° |
C3' | C4' | C5' | H4 | 121.8° | 122.2° |
C3' | C4' | C5' | O5' | 75.9° | 176.5° |
C3' | C4' | C5' | H2 | 43.8° | 63.5° |
C3' | C4' | C5' | H3 | 164.4° | 56.6° |
C4' | C3' | O3' | H6 | 65.0° | 180.0° |
C4' | C3' | C2' | H7 | 93.1° | 118.6° |
O3' | C3' | C4' | C5' | 119.4° | 98.6° |
O3' | C3' | C4' | H4 | 2.5° | 23.7° |
O3' | C3' | C2' | H7 | 148.1° | 122.7° |
C4' | C5' | O5' | H2 | 119.7° | 120.1° |
C4' | C5' | O5' | H3 | 119.7° | 120.0° |
C4' | C5' | O5' | P | 157.4° | 180.0° |
C4' | C5' | H2 | H3 | 120.9° | 120.1° |
C5' | C4' | C3' | H5 | 2.7° | 24.0° |
C5' | O5' | P | O2P | 31.6° | 50.0° |
C5' | O5' | P | N2 | 81.9° | 70.0° |
C5' | O5' | P | O3P | 160.7° | 170.0° |
O5' | C5' | H2 | H3 | 120.9° | 119.9° |
O5' | C5' | C4' | H4 | 45.9° | 54.3° |
O5' | P | O2P | N2 | 114.7° | 120.0° |
O5' | P | O2P | O3P | 120.4° | 120.0° |
O5' | P | N2 | O3P | 113.3° | 120.0° |
O5' | P | N2 | C3 | 81.4° | 59.9° |
O5' | P | O3P | H1 | 122.8° | 60.0° |
P | O5' | C5' | H2 | 37.7° | 59.9° |
P | O5' | C5' | H3 | 82.9° | 60.0° |
O5' | P | N2 | H14 | 40.1° | 64.0° |
O10 | C7 | C3 | N2 | 18.0° | 0.0° |
O10 | C7 | C3 | O11 | 179.7° | 179.9° |
O10 | C7 | C3 | C9 | 105.6° | 120.0° |
O10 | C7 | O11 | C12 | 5.7° | 0.1° |
O10 | C7 | C3 | H15 | 136.7° | 119.9° |
O2P | P | N2 | O3P | 130.3° | 120.0° |
O2P | P | N2 | C3 | 162.2° | 180.0° |
O2P | P | O3P | H1 | 0.0° | 180.0° |
O2P | P | N2 | H14 | 76.3° | 56.0° |
P | N2 | C3 | H14 | 121.5° | 124.0° |
P | N2 | C3 | C7 | 170.8° | 145.0° |
P | N2 | C3 | C9 | 51.1° | 95.0° |
N2 | P | O3P | H1 | 122.2° | 60.0° |
P | N2 | C3 | H15 | 70.7° | 25.0° |
C3 | N2 | P | O3P | 31.9° | 60.0° |
N2 | C3 | C7 | C9 | 123.6° | 120.0° |
N2 | C3 | C7 | H15 | 118.7° | 120.0° |
N2 | C3 | C7 | O11 | 161.7° | 179.9° |
N2 | C3 | C9 | H15 | 122.3° | 120.0° |
N2 | C3 | C9 | H16 | 180.0° | 60.0° |
N2 | C3 | C9 | H17 | 60.0° | 180.0° |
N2 | C3 | C9 | H18 | 60.0° | 60.0° |
O3P | P | N2 | H14 | 153.5° | 176.1° |
C7 | C3 | C9 | H15 | 118.1° | 120.1° |
C3 | C7 | O11 | C12 | 174.6° | 180.0° |
C7 | C3 | N2 | H14 | 49.3° | 91.0° |
C7 | C3 | C9 | H16 | 60.5° | 60.0° |
C7 | C3 | C9 | H17 | 179.6° | 60.0° |
C7 | C3 | C9 | H18 | 59.6° | 180.0° |
O11 | C7 | C3 | C9 | 74.8° | 60.1° |
O11 | C7 | C3 | H15 | 43.0° | 60.0° |
C7 | O11 | C12 | H19 | 180.0° | 60.0° |
C7 | O11 | C12 | H20 | 60.0° | 60.1° |
C7 | O11 | C12 | H21 | 60.0° | 179.9° |
C9 | C3 | N2 | H14 | 70.5° | 29.0° |
C3 | C9 | H16 | H17 | 120.0° | 120.0° |
C3 | C9 | H16 | H18 | 120.0° | 120.0° |
C3 | C9 | H17 | H18 | 120.0° | 119.9° |
O11 | C12 | H19 | H20 | 120.0° | 120.0° |
O11 | C12 | H19 | H21 | 120.0° | 120.0° |
O11 | C12 | H20 | H21 | 120.0° | 120.0° |
H2 | C5' | C4' | H4 | 165.6° | 174.3° |
H3 | C5' | C4' | H4 | 73.7° | 65.6° |
H4 | C4' | C3' | H5 | 124.6° | 146.3° |
H5 | C3' | O3' | H6 | 56.4° | 57.4° |
H5 | C3' | C2' | H7 | 23.8° | 0.0° |
H7 | C2' | O2' | H8 | 58.7° | 61.2° |
H7 | C2' | C1' | H9 | 165.0° | 146.5° |
H14 | N2 | C3 | H15 | 167.7° | 149.0° |
H15 | C3 | C9 | H16 | 57.6° | 180.0° |
H15 | C3 | C9 | H17 | 62.3° | 60.0° |
H15 | C3 | C9 | H18 | 177.7° | 59.9° |
H16 | C9 | H17 | H18 | 120.0° | 120.0° |
H19 | C12 | H20 | H21 | 120.0° | 120.0° |