6LC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C6 | sing | 1.38Å | 1.34Å | |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.39Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.46Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| O4' | C4' | sing | 1.44Å | 1.44Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C6' | C7' | sing | 1.51Å | 1.50Å | |
| C6' | C5' | doub | 1.31Å | 1.32Å | |
| C7' | N8' | sing | 1.46Å | 1.45Å | |
| N8' | C9' | sing | 1.37Å | 1.33Å | |
| C4' | C5' | sing | 1.51Å | 1.49Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| N10 | C9' | doub | 1.30Å | 1.32Å | |
| C9' | N11 | sing | 1.38Å | 1.32Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C6' | H1 | sing | 1.08Å | 1.08Å | |
| C5' | H2 | sing | 1.08Å | 1.08Å | |
| C4' | H3 | sing | 1.09Å | 1.10Å | |
| C3' | H4 | sing | 1.09Å | 1.10Å | |
| O3' | H5 | sing | 0.97Å | 0.95Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| O2' | H7 | sing | 0.97Å | 0.95Å | |
| C1' | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| N6 | H10 | sing | 0.97Å | 1.00Å | |
| N6 | H11 | sing | 0.97Å | 1.00Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C7' | H13 | sing | 1.09Å | 1.10Å | |
| C7' | H14 | sing | 1.09Å | 1.10Å | |
| N8' | H15 | sing | 0.97Å | 1.00Å | |
| N10 | H16 | sing | 0.97Å | 1.00Å | |
| N11 | H17 | sing | 0.97Å | 1.00Å | |
| N11 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C6 | N1 | 118.4° | 120.8° |
| N6 | C6 | C5 | 124.0° | 120.8° |
| C6 | N6 | H10 | 109.5° | 120.0° |
| C6 | N6 | H11 | 109.5° | 120.0° |
| C6 | N1 | C2 | 118.8° | 121.2° |
| N1 | C6 | C5 | 117.6° | 118.4° |
| N1 | C2 | N3 | 128.9° | 122.5° |
| N1 | C2 | H12 | 115.5° | 118.8° |
| C6 | C5 | C4 | 117.4° | 118.2° |
| C6 | C5 | N7 | 132.4° | 134.6° |
| C2 | N3 | C4 | 111.1° | 120.6° |
| N3 | C2 | H12 | 115.6° | 118.7° |
| C4 | C5 | N7 | 110.2° | 107.2° |
| C5 | C4 | N3 | 126.2° | 119.1° |
| C5 | C4 | N9 | 106.1° | 106.0° |
| C5 | N7 | C8 | 103.9° | 109.4° |
| N3 | C4 | N9 | 127.7° | 134.9° |
| C4 | N9 | C8 | 105.8° | 107.4° |
| C4 | N9 | C1' | 127.5° | 126.3° |
| N7 | C8 | N9 | 114.0° | 110.0° |
| N7 | C8 | H9 | 123.0° | 125.0° |
| C8 | N9 | C1' | 126.8° | 126.3° |
| N9 | C8 | H9 | 123.0° | 125.0° |
| N9 | C1' | O4' | 108.4° | 110.3° |
| N9 | C1' | C2' | 114.7° | 110.4° |
| N9 | C1' | H8 | 109.3° | 110.4° |
| C1' | O4' | C4' | 110.4° | 105.2° |
| O4' | C1' | C2' | 105.9° | 104.8° |
| O4' | C1' | H8 | 110.0° | 110.4° |
| O4' | C4' | C5' | 109.5° | 110.4° |
| O4' | C4' | C3' | 105.4° | 104.8° |
| O4' | C4' | H3 | 109.8° | 110.5° |
| C1' | C2' | C3' | 100.8° | 104.1° |
| C1' | C2' | O2' | 111.4° | 110.5° |
| C1' | C2' | H6 | 110.4° | 110.6° |
| C2' | C1' | H8 | 108.5° | 110.4° |
| C7' | C6' | C5' | 125.0° | 120.0° |
| C6' | C7' | N8' | 115.5° | 109.5° |
| C7' | C6' | H1 | 117.5° | 120.0° |
| C6' | C7' | H13 | 107.9° | 109.5° |
| C6' | C7' | H14 | 107.9° | 109.4° |
| C6' | C5' | C4' | 120.9° | 120.0° |
| C5' | C6' | H1 | 117.5° | 120.0° |
| C6' | C5' | H2 | 119.6° | 120.0° |
| C7' | N8' | C9' | 124.5° | 120.0° |
| N8' | C7' | H13 | 107.9° | 109.5° |
| N8' | C7' | H14 | 108.0° | 109.5° |
| C7' | N8' | H15 | 117.8° | 120.0° |
| N8' | C9' | N10 | 120.5° | 120.0° |
| N8' | C9' | N11 | 119.5° | 120.0° |
| C9' | N8' | H15 | 117.8° | 120.0° |
| C5' | C4' | C3' | 114.2° | 110.4° |
| C4' | C5' | H2 | 119.6° | 120.0° |
| C5' | C4' | H3 | 109.2° | 110.3° |
| C4' | C3' | C2' | 101.9° | 104.0° |
| C4' | C3' | O3' | 112.0° | 110.5° |
| C3' | C4' | H3 | 108.6° | 110.4° |
| C4' | C3' | H4 | 109.4° | 110.5° |
| C3' | C2' | O2' | 111.3° | 110.5° |
| C2' | C3' | O3' | 112.8° | 110.5° |
| C2' | C3' | H4 | 109.4° | 110.6° |
| C3' | C2' | H6 | 110.4° | 110.5° |
| O2' | C2' | H6 | 112.0° | 110.4° |
| C2' | O2' | H7 | 109.5° | 114.0° |
| N10 | C9' | N11 | 120.0° | 120.0° |
| C9' | N10 | H16 | 112.0° | 120.0° |
| C9' | N11 | H17 | 120.0° | 120.0° |
| C9' | N11 | H18 | 120.0° | 120.0° |
| O3' | C3' | H4 | 111.0° | 110.5° |
| C3' | O3' | H5 | 109.5° | 114.0° |
| H10 | N6 | H11 | 109.5° | 120.0° |
| H13 | C7' | H14 | 109.5° | 109.4° |
| H17 | N11 | H18 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C6 | N1 | C5 | 178.8° | 179.9° |
| N6 | C6 | N1 | C2 | 177.9° | 180.0° |
| N6 | C6 | C5 | C4 | 178.1° | 180.0° |
| N6 | C6 | C5 | N7 | 2.1° | 0.6° |
| C6 | N6 | H10 | H11 | 120.0° | 179.9° |
| C6 | N1 | C2 | N3 | 0.4° | 0.0° |
| N1 | C6 | C5 | C4 | 0.6° | 0.1° |
| N1 | C6 | C5 | N7 | 179.2° | 179.5° |
| N1 | C6 | N6 | H10 | 0.0° | 180.0° |
| N1 | C6 | N6 | H11 | 120.0° | 0.1° |
| C6 | N1 | C2 | H12 | 179.6° | 179.9° |
| C2 | N1 | C6 | C5 | 0.9° | 0.1° |
| N1 | C2 | N3 | H12 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| C6 | C5 | C4 | N7 | 179.9° | 179.6° |
| C6 | C5 | C4 | N3 | 0.1° | 0.1° |
| C6 | C5 | C4 | N9 | 179.8° | 180.0° |
| C6 | C5 | N7 | C8 | 179.8° | 179.7° |
| C5 | C6 | N6 | H10 | 178.7° | 0.1° |
| C5 | C6 | N6 | H11 | 61.3° | 180.0° |
| C2 | N3 | C4 | C5 | 0.6° | 0.0° |
| C2 | N3 | C4 | N9 | 179.3° | 180.0° |
| C5 | C4 | N3 | N9 | 180.0° | 179.9° |
| C4 | C5 | N7 | C8 | 0.1° | 0.2° |
| C5 | C4 | N9 | C8 | 0.0° | 0.4° |
| C5 | C4 | N9 | C1' | 180.0° | 179.9° |
| N7 | C5 | C4 | N3 | 180.0° | 179.6° |
| N7 | C5 | C4 | N9 | 0.1° | 0.4° |
| C5 | N7 | C8 | N9 | 0.1° | 0.1° |
| C5 | N7 | C8 | H9 | 179.9° | 180.0° |
| N3 | C4 | N9 | C8 | 180.0° | 179.6° |
| N3 | C4 | N9 | C1' | 0.0° | 0.1° |
| C4 | N3 | C2 | H12 | 179.6° | 179.9° |
| C4 | N9 | C8 | N7 | 0.1° | 0.3° |
| C4 | N9 | C8 | C1' | 180.0° | 179.7° |
| C4 | N9 | C1' | O4' | 113.1° | 156.8° |
| C4 | N9 | C1' | C2' | 128.8° | 87.9° |
| C4 | N9 | C1' | H8 | 6.8° | 34.5° |
| C4 | N9 | C8 | H9 | 180.0° | 179.8° |
| N7 | C8 | N9 | H9 | 180.0° | 179.9° |
| N7 | C8 | N9 | C1' | 180.0° | 180.0° |
| C8 | N9 | C1' | O4' | 66.9° | 23.6° |
| C8 | N9 | C1' | C2' | 51.2° | 91.8° |
| C8 | N9 | C1' | H8 | 173.3° | 145.9° |
| N9 | C1' | O4' | C2' | 123.5° | 118.9° |
| N9 | C1' | O4' | H8 | 119.5° | 122.3° |
| N9 | C1' | O4' | C4' | 139.9° | 159.4° |
| N9 | C1' | C2' | H8 | 122.5° | 122.3° |
| N9 | C1' | C2' | C3' | 153.8° | 142.8° |
| N9 | C1' | C2' | O2' | 88.0° | 98.5° |
| N9 | C1' | C2' | H6 | 37.1° | 24.1° |
| C1' | N9 | C8 | H9 | 0.0° | 0.1° |
| O4' | C1' | C2' | H8 | 118.0° | 118.9° |
| C1' | O4' | C4' | C5' | 114.5° | 159.4° |
| C1' | O4' | C4' | C3' | 8.8° | 40.5° |
| O4' | C1' | C2' | C3' | 34.4° | 24.0° |
| O4' | C1' | C2' | O2' | 152.5° | 142.7° |
| C1' | O4' | C4' | H3 | 125.6° | 78.4° |
| O4' | C1' | C2' | H6 | 82.4° | 94.8° |
| C4' | O4' | C1' | C2' | 16.4° | 40.5° |
| O4' | C4' | C5' | C6' | 106.9° | 9.6° |
| O4' | C4' | C5' | C3' | 117.9° | 115.4° |
| O4' | C4' | C5' | H3 | 120.3° | 122.4° |
| O4' | C4' | C3' | H3 | 117.6° | 118.9° |
| O4' | C4' | C3' | C2' | 30.0° | 24.0° |
| O4' | C4' | C3' | O3' | 90.8° | 142.6° |
| O4' | C4' | C5' | H2 | 73.1° | 170.4° |
| O4' | C4' | C3' | H4 | 145.8° | 94.8° |
| C4' | O4' | C1' | H8 | 100.6° | 78.3° |
| C1' | C2' | C3' | C4' | 38.3° | 0.0° |
| C1' | C2' | C3' | O2' | 118.2° | 118.7° |
| C1' | C2' | C3' | H6 | 116.7° | 118.8° |
| C1' | C2' | O2' | H6 | 124.2° | 122.7° |
| C1' | C2' | C3' | O3' | 81.9° | 118.6° |
| C1' | C2' | C3' | H4 | 154.1° | 118.7° |
| C1' | C2' | O2' | H7 | 180.0° | 176.1° |
| C7' | C6' | C5' | H1 | 180.0° | 179.7° |
| C6' | C7' | N8' | H13 | 120.9° | 120.1° |
| C6' | C7' | N8' | H14 | 120.9° | 120.0° |
| C6' | C7' | N8' | C9' | 79.8° | 180.0° |
| C7' | C6' | C5' | C4' | 179.6° | 180.0° |
| C7' | C6' | C5' | H2 | 0.4° | 0.0° |
| C6' | C7' | H13 | H14 | 117.3° | 119.9° |
| C6' | C7' | N8' | H15 | 100.2° | 0.0° |
| C5' | C6' | C7' | N8' | 158.2° | 125.0° |
| C6' | C5' | C4' | H2 | 180.0° | 180.0° |
| C6' | C5' | C4' | C3' | 135.2° | 125.0° |
| C6' | C5' | C4' | H3 | 13.4° | 112.7° |
| C5' | C6' | C7' | H13 | 37.3° | 115.0° |
| C5' | C6' | C7' | H14 | 80.9° | 5.0° |
| C7' | N8' | C9' | H15 | 180.0° | 179.9° |
| C7' | N8' | C9' | N10 | 177.4° | 0.1° |
| C7' | N8' | C9' | N11 | 2.2° | 180.0° |
| N8' | C7' | C6' | H1 | 21.8° | 54.7° |
| N8' | C7' | H13 | H14 | 117.3° | 120.0° |
| N8' | C9' | N10 | N11 | 179.6° | 179.9° |
| C9' | N8' | C7' | H13 | 41.0° | 59.9° |
| C9' | N8' | C7' | H14 | 159.3° | 60.0° |
| N8' | C9' | N10 | H16 | 179.6° | 179.9° |
| N8' | C9' | N11 | H17 | 179.6° | 0.0° |
| N8' | C9' | N11 | H18 | 0.4° | 180.0° |
| C5' | C4' | C3' | H3 | 122.1° | 122.2° |
| C5' | C4' | C3' | C2' | 90.3° | 142.8° |
| C5' | C4' | C3' | O3' | 149.0° | 98.6° |
| C4' | C5' | C6' | H1 | 0.4° | 0.3° |
| C5' | C4' | C3' | H4 | 25.5° | 24.1° |
| C4' | C3' | C2' | O3' | 120.2° | 118.6° |
| C4' | C3' | C2' | H4 | 115.8° | 118.7° |
| C4' | C3' | C2' | O2' | 156.5° | 118.7° |
| C4' | C3' | O3' | H4 | 122.6° | 122.6° |
| C3' | C4' | C5' | H2 | 44.8° | 55.0° |
| C4' | C3' | O3' | H5 | 180.0° | 61.5° |
| C4' | C3' | C2' | H6 | 78.4° | 118.8° |
| C3' | C2' | O2' | H6 | 124.2° | 122.6° |
| C2' | C3' | O3' | H4 | 123.2° | 122.8° |
| C2' | C3' | C4' | H3 | 147.6° | 94.9° |
| C2' | C3' | O3' | H5 | 65.8° | 176.1° |
| C3' | C2' | O2' | H7 | 68.4° | 61.4° |
| C3' | C2' | C1' | H8 | 83.6° | 94.9° |
| O2' | C2' | C3' | O3' | 36.3° | 0.1° |
| O2' | C2' | C3' | H4 | 87.7° | 122.7° |
| O2' | C2' | C1' | H8 | 34.5° | 23.8° |
| N10 | C9' | N8' | H15 | 2.6° | 180.0° |
| N10 | C9' | N11 | H17 | 0.0° | 180.0° |
| N10 | C9' | N11 | H18 | 180.0° | 0.0° |
| N11 | C9' | N8' | H15 | 177.8° | 0.1° |
| N11 | C9' | N10 | H16 | 0.0° | 0.0° |
| C9' | N11 | H17 | H18 | 180.0° | 180.0° |
| O3' | C3' | C4' | H3 | 26.8° | 23.7° |
| O3' | C3' | C2' | H6 | 161.4° | 122.6° |
| H1 | C6' | C5' | H2 | 179.7° | 179.7° |
| H1 | C6' | C7' | H13 | 142.7° | 65.3° |
| H1 | C6' | C7' | H14 | 99.1° | 174.8° |
| H2 | C5' | C4' | H3 | 166.6° | 67.3° |
| H3 | C4' | C3' | H4 | 96.6° | 146.3° |
| H4 | C3' | O3' | H5 | 57.4° | 61.1° |
| H4 | C3' | C2' | H6 | 37.3° | 0.1° |
| H6 | C2' | O2' | H7 | 55.8° | 61.2° |
| H6 | C2' | C1' | H8 | 159.6° | 146.4° |
| H13 | C7' | N8' | H15 | 139.0° | 120.0° |
| H14 | C7' | N8' | H15 | 20.7° | 120.0° |
