CL9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | CL | sing | 1.74Å | 1.76Å | |
| C2 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.32Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.31Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.37Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.32Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.33Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.46Å | |
| C1' | C2' | sing | 1.54Å | 1.50Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.55Å | 1.51Å | |
| C4' | O4' | sing | 1.44Å | 1.40Å | |
| C4' | C5' | sing | 1.53Å | 1.50Å | |
| C5' | O5' | sing | 1.43Å | 1.41Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| 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'A | sing | 1.09Å | 1.10Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C2 | N3 | 116.1° | 118.8° |
| CL | C2 | N1 | 119.1° | 118.8° |
| N3 | C2 | N1 | 124.8° | 122.4° |
| C2 | N3 | C4 | 116.5° | 120.7° |
| C2 | N1 | C6 | 119.5° | 121.2° |
| C5 | C4 | N3 | 121.3° | 119.0° |
| C5 | C4 | N9 | 108.2° | 106.1° |
| C4 | C5 | C6 | 120.5° | 118.2° |
| C4 | C5 | N7 | 108.0° | 107.2° |
| N3 | C4 | N9 | 130.4° | 134.9° |
| C4 | N9 | C8 | 107.4° | 107.4° |
| C4 | N9 | C1' | 126.1° | 126.3° |
| C6 | C5 | N7 | 131.5° | 134.6° |
| C5 | C6 | N6 | 121.0° | 120.8° |
| C5 | C6 | N1 | 117.4° | 118.5° |
| C5 | N7 | C8 | 106.3° | 109.4° |
| N6 | C6 | N1 | 121.6° | 120.7° |
| C6 | N6 | HN6 | 109.5° | 119.9° |
| C6 | N6 | HN6A | 109.5° | 120.1° |
| N9 | C8 | N7 | 110.1° | 110.0° |
| C8 | N9 | C1' | 126.4° | 126.3° |
| N9 | C8 | H8 | 125.0° | 125.0° |
| N7 | C8 | H8 | 124.9° | 125.0° |
| N9 | C1' | C2' | 115.0° | 109.9° |
| N9 | C1' | O4' | 105.3° | 109.9° |
| N9 | C1' | H1' | 107.5° | 109.9° |
| C2' | C1' | O4' | 105.5° | 107.3° |
| C1' | C2' | C3' | 100.7° | 104.2° |
| C2' | C1' | H1' | 107.3° | 109.9° |
| C1' | C2' | H2' | 112.5° | 110.5° |
| C1' | C2' | H2'A | 114.3° | 110.5° |
| C1' | O4' | C4' | 110.2° | 106.9° |
| O4' | C1' | H1' | 116.7° | 110.0° |
| C2' | C3' | O3' | 106.2° | 110.9° |
| C2' | C3' | C4' | 105.9° | 102.1° |
| C3' | C2' | H2' | 112.5° | 110.5° |
| C3' | C2' | H2'A | 114.3° | 110.5° |
| C2' | C3' | H3' | 113.0° | 110.9° |
| O3' | C3' | C4' | 107.2° | 110.9° |
| O3' | C3' | H3' | 111.8° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | O4' | 105.5° | 103.5° |
| C3' | C4' | C5' | 115.5° | 110.6° |
| C4' | C3' | H3' | 112.1° | 110.9° |
| C3' | C4' | H4' | 106.5° | 110.6° |
| O4' | C4' | C5' | 103.4° | 110.6° |
| O4' | C4' | H4' | 118.0° | 110.6° |
| C4' | C5' | O5' | 102.5° | 109.5° |
| C5' | C4' | H4' | 108.4° | 110.7° |
| C4' | C5' | H5' | 111.9° | 109.5° |
| C4' | C5' | H5'A | 113.3° | 109.5° |
| O5' | C5' | H5' | 111.9° | 109.4° |
| O5' | C5' | H5'A | 113.4° | 109.5° |
| C5' | O5' | HO5' | 109.5° | 114.1° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
| H2' | C2' | H2'A | 103.0° | 110.5° |
| H5' | C5' | H5'A | 104.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C2 | N3 | N1 | 177.6° | 179.7° |
| CL | C2 | N3 | C4 | 178.5° | 180.0° |
| CL | C2 | N1 | C6 | 178.4° | 180.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.1° |
| C2 | N3 | C4 | N9 | 178.5° | 179.7° |
| N3 | C2 | N1 | C6 | 0.9° | 0.3° |
| N1 | C2 | N3 | C4 | 0.9° | 0.3° |
| C2 | N1 | C6 | C5 | 0.2° | 0.0° |
| C2 | N1 | C6 | N6 | 179.2° | 179.7° |
| C5 | C4 | N3 | N9 | 178.8° | 179.7° |
| C4 | C5 | C6 | N7 | 179.8° | 179.6° |
| C4 | C5 | C6 | N6 | 179.7° | 180.0° |
| C4 | C5 | C6 | N1 | 0.3° | 0.3° |
| C5 | C4 | N9 | C8 | 1.4° | 0.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.4° |
| C5 | C4 | N9 | C1' | 177.3° | 180.0° |
| N3 | C4 | C5 | C6 | 0.2° | 0.3° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| N3 | C4 | N9 | C8 | 179.7° | 179.7° |
| N3 | C4 | N9 | C1' | 3.8° | 0.2° |
| N9 | C4 | C5 | C6 | 179.3° | 179.9° |
| N9 | C4 | C5 | N7 | 0.8° | 0.3° |
| C4 | N9 | C8 | C1' | 175.8° | 180.0° |
| C4 | N9 | C8 | N7 | 1.5° | 0.3° |
| C4 | N9 | C1' | C2' | 83.3° | 85.0° |
| C4 | N9 | C1' | O4' | 161.1° | 157.1° |
| C4 | N9 | C8 | H8 | 178.5° | 180.0° |
| C4 | N9 | C1' | H1' | 36.1° | 36.0° |
| C5 | C6 | N6 | N1 | 179.4° | 179.7° |
| C6 | C5 | N7 | C8 | 179.8° | 180.0° |
| C5 | C6 | N6 | HN6 | 119.7° | 0.0° |
| C5 | C6 | N6 | HN6A | 120.3° | 179.9° |
| N7 | C5 | C6 | N6 | 0.5° | 0.4° |
| N7 | C5 | C6 | N1 | 179.9° | 179.9° |
| C5 | N7 | C8 | N9 | 0.9° | 0.4° |
| C5 | N7 | C8 | H8 | 179.1° | 179.8° |
| C6 | N6 | HN6 | HN6A | 120.0° | 179.9° |
| N1 | C6 | N6 | HN6 | 59.8° | 179.7° |
| N1 | C6 | N6 | HN6A | 60.3° | 0.2° |
| N9 | C8 | N7 | H8 | 180.0° | 179.8° |
| C8 | N9 | C1' | C2' | 101.6° | 95.0° |
| C8 | N9 | C1' | O4' | 14.0° | 22.8° |
| C8 | N9 | C1' | H1' | 139.0° | 144.0° |
| N7 | C8 | N9 | C1' | 177.3° | 179.8° |
| N9 | C1' | C2' | O4' | 115.5° | 119.4° |
| N9 | C1' | C2' | H1' | 119.5° | 121.0° |
| N9 | C1' | O4' | H1' | 119.1° | 121.1° |
| N9 | C1' | C2' | C3' | 150.3° | 121.5° |
| N9 | C1' | O4' | C4' | 152.3° | 145.9° |
| C1' | N9 | C8 | H8 | 2.7° | 0.0° |
| N9 | C1' | C2' | H2' | 89.8° | 119.9° |
| N9 | C1' | C2' | H2'A | 27.2° | 2.8° |
| C2' | C1' | O4' | H1' | 119.0° | 119.5° |
| C1' | C2' | C3' | H2' | 120.0° | 118.7° |
| C1' | C2' | C3' | H2'A | 123.0° | 118.7° |
| C1' | C2' | C3' | O3' | 86.4° | 139.1° |
| C1' | C2' | C3' | C4' | 27.5° | 20.9° |
| C2' | C1' | O4' | C4' | 30.4° | 26.5° |
| C1' | C2' | H2' | H2'A | 123.5° | 122.7° |
| C1' | C2' | C3' | H3' | 150.6° | 97.3° |
| O4' | C1' | C2' | C3' | 34.8° | 2.1° |
| C1' | O4' | C4' | C3' | 11.9° | 40.0° |
| C1' | O4' | C4' | C5' | 133.5° | 158.6° |
| O4' | C1' | C2' | H2' | 154.8° | 120.7° |
| O4' | C1' | C2' | H2'A | 88.3° | 116.6° |
| C1' | O4' | C4' | H4' | 106.8° | 78.4° |
| C2' | C3' | O3' | C4' | 112.9° | 112.7° |
| C2' | C3' | O3' | H3' | 123.8° | 123.6° |
| C2' | C3' | C4' | H3' | 123.7° | 118.2° |
| C2' | C3' | C4' | O4' | 10.9° | 37.0° |
| C2' | C3' | C4' | C5' | 102.6° | 155.5° |
| C3' | C2' | C1' | H1' | 90.3° | 117.5° |
| C3' | C2' | H2' | H2'A | 123.6° | 122.5° |
| C2' | C3' | O3' | HO3' | 111.8° | 61.4° |
| C2' | C3' | C4' | H4' | 137.0° | 81.5° |
| O3' | C3' | C4' | H3' | 123.1° | 123.6° |
| O3' | C3' | C4' | O4' | 102.2° | 155.2° |
| O3' | C3' | C4' | C5' | 144.3° | 86.3° |
| O3' | C3' | C2' | H2' | 33.6° | 20.4° |
| O3' | C3' | C2' | H2'A | 150.6° | 102.2° |
| O3' | C3' | C4' | H4' | 23.9° | 36.7° |
| C3' | C4' | O4' | C5' | 121.7° | 118.5° |
| C3' | C4' | O4' | H4' | 118.7° | 118.5° |
| C3' | C4' | C5' | H4' | 119.3° | 123.0° |
| C3' | C4' | C5' | O5' | 97.6° | 175.0° |
| C4' | C3' | C2' | H2' | 147.5° | 97.8° |
| C4' | C3' | C2' | H2'A | 95.6° | 139.6° |
| C4' | C3' | O3' | HO3' | 1.2° | 174.2° |
| C3' | C4' | C5' | H5' | 142.4° | 55.0° |
| C3' | C4' | C5' | H5'A | 25.0° | 65.0° |
| O4' | C4' | C5' | H4' | 126.0° | 122.9° |
| O4' | C4' | C5' | O5' | 17.1° | 70.9° |
| C4' | O4' | C1' | H1' | 88.6° | 93.0° |
| O4' | C4' | C3' | H3' | 134.6° | 81.2° |
| O4' | C4' | C5' | H5' | 102.9° | 169.1° |
| O4' | C4' | C5' | H5'A | 139.6° | 49.1° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 122.5° | 120.1° |
| C5' | C4' | C3' | H3' | 21.2° | 37.3° |
| C4' | C5' | H5' | H5'A | 122.8° | 120.0° |
| C4' | C5' | O5' | HO5' | 79.5° | 180.0° |
| O5' | C5' | C4' | H4' | 143.1° | 52.0° |
| O5' | C5' | H5' | H5'A | 122.9° | 120.0° |
| H1' | C1' | C2' | H2' | 29.7° | 1.2° |
| H1' | C1' | C2' | H2'A | 146.7° | 123.8° |
| H2' | C2' | C3' | H3' | 89.4° | 144.0° |
| H2'A | C2' | C3' | H3' | 27.6° | 21.4° |
| H3' | C3' | O3' | HO3' | 124.5° | 62.2° |
| H3' | C3' | C4' | H4' | 99.2° | 160.3° |
| H4' | C4' | C5' | H5' | 23.1° | 68.0° |
| H4' | C4' | C5' | H5'A | 94.4° | 172.1° |
| H5' | C5' | O5' | HO5' | 160.5° | 60.0° |
| H5'A | C5' | O5' | HO5' | 43.0° | 59.9° |
