B1K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.45Å | |
| O4' | C4' | sing | 1.43Å | 1.46Å | |
| C3' | C4' | sing | 1.53Å | 1.50Å | |
| C3' | C2' | sing | 1.53Å | 1.56Å | |
| C4' | C5' | sing | 1.53Å | 1.57Å | |
| O2' | C2' | sing | 1.43Å | 1.44Å | |
| C2' | C1' | sing | 1.53Å | 1.56Å | |
| O6' | C6' | sing | 1.43Å | 1.44Å | |
| C5' | C6' | sing | 1.53Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| C1' | O5' | sing | 1.43Å | 1.43Å | |
| C1' | C1 | sing | 1.51Å | 1.51Å | |
| N2 | C1 | doub | 1.31Å | 1.34Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.35Å | Aromatic |
| C1 | N5 | sing | 1.33Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.35Å | 1.33Å | Aromatic |
| N5 | C4 | doub | 1.32Å | 1.35Å | Aromatic |
| C4 | C6 | sing | 1.48Å | 1.35Å | |
| C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | O12 | sing | 1.36Å | 1.37Å | |
| O12 | C13 | sing | 1.43Å | 1.42Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C6' | H11 | sing | 1.09Å | 1.10Å | |
| C6' | H12 | sing | 1.09Å | 1.10Å | |
| O6' | H13 | sing | 0.97Å | 0.95Å | |
| C4' | H14 | sing | 1.09Å | 1.10Å | |
| O4' | H15 | sing | 0.97Å | 0.95Å | |
| C3' | H16 | sing | 1.09Å | 1.10Å | |
| O3' | H17 | sing | 0.97Å | 0.95Å | |
| C2' | H18 | sing | 1.09Å | 1.10Å | |
| O2' | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 108.2° | 109.5° |
| O3' | C3' | C2' | 110.6° | 109.5° |
| O3' | C3' | H16 | 109.9° | 109.7° |
| C3' | O3' | H17 | 109.5° | 114.0° |
| O4' | C4' | C3' | 110.0° | 109.6° |
| O4' | C4' | C5' | 109.2° | 109.5° |
| O4' | C4' | H14 | 109.9° | 109.6° |
| C4' | O4' | H15 | 109.5° | 114.0° |
| C4' | C3' | C2' | 110.4° | 109.0° |
| C3' | C4' | C5' | 109.9° | 109.1° |
| C3' | C4' | H14 | 109.4° | 109.5° |
| C4' | C3' | H16 | 109.2° | 109.5° |
| C3' | C2' | O2' | 111.1° | 109.6° |
| C3' | C2' | C1' | 110.3° | 109.2° |
| C2' | C3' | H16 | 108.5° | 109.6° |
| C3' | C2' | H18 | 107.6° | 109.5° |
| C4' | C5' | C6' | 111.7° | 109.5° |
| C4' | C5' | O5' | 110.6° | 109.4° |
| C4' | C5' | H10 | 107.5° | 109.5° |
| C5' | C4' | H14 | 108.5° | 109.5° |
| O2' | C2' | C1' | 111.0° | 109.5° |
| O2' | C2' | H18 | 109.2° | 109.6° |
| C2' | O2' | H19 | 109.5° | 114.1° |
| C2' | C1' | O5' | 106.6° | 109.4° |
| C2' | C1' | C1 | 111.5° | 109.5° |
| C2' | C1' | H9 | 109.5° | 109.5° |
| C1' | C2' | H18 | 107.5° | 109.5° |
| O6' | C6' | C5' | 108.6° | 109.5° |
| O6' | C6' | H11 | 109.7° | 109.5° |
| O6' | C6' | H12 | 109.7° | 109.5° |
| C6' | O6' | H13 | 109.5° | 114.0° |
| C6' | C5' | O5' | 109.6° | 109.4° |
| C6' | C5' | H10 | 108.1° | 109.5° |
| C5' | C6' | H11 | 109.7° | 109.4° |
| C5' | C6' | H12 | 109.7° | 109.5° |
| C5' | O5' | C1' | 111.5° | 114.0° |
| O5' | C5' | H10 | 109.2° | 109.5° |
| O5' | C1' | C1 | 107.6° | 109.4° |
| O5' | C1' | H9 | 111.4° | 109.5° |
| C1' | C1 | N2 | 124.3° | 125.4° |
| C1' | C1 | N5 | 125.9° | 125.4° |
| C1 | C1' | H9 | 110.1° | 109.4° |
| C1 | N2 | N3 | 107.8° | 107.0° |
| N2 | C1 | N5 | 109.8° | 109.2° |
| N2 | N3 | C4 | 106.6° | 106.3° |
| N2 | N3 | H2 | 126.7° | 126.8° |
| C1 | N5 | C4 | 105.3° | 109.8° |
| N3 | C4 | N5 | 110.5° | 107.8° |
| N3 | C4 | C6 | 123.8° | 126.1° |
| C4 | N3 | H2 | 126.7° | 126.9° |
| N5 | C4 | C6 | 125.7° | 126.1° |
| C4 | C6 | C7 | 120.9° | 120.1° |
| C4 | C6 | C11 | 120.5° | 120.1° |
| C7 | C6 | C11 | 118.6° | 119.8° |
| C6 | C7 | C8 | 119.7° | 119.9° |
| C6 | C7 | H1 | 120.1° | 120.0° |
| C6 | C11 | C10 | 121.6° | 119.9° |
| C6 | C11 | H7 | 119.2° | 120.1° |
| C7 | C8 | C9 | 121.4° | 120.1° |
| C8 | C7 | H1 | 120.1° | 120.1° |
| C7 | C8 | H8 | 119.3° | 119.9° |
| C11 | C10 | C9 | 119.6° | 120.1° |
| C11 | C10 | H6 | 120.2° | 120.0° |
| C10 | C11 | H7 | 119.2° | 120.0° |
| C8 | C9 | C10 | 119.1° | 120.1° |
| C8 | C9 | O12 | 116.9° | 119.9° |
| C9 | C8 | H8 | 119.3° | 119.9° |
| C10 | C9 | O12 | 124.1° | 120.0° |
| C9 | C10 | H6 | 120.2° | 119.9° |
| C9 | O12 | C13 | 119.1° | 117.0° |
| O12 | C13 | H3 | 109.5° | 109.5° |
| O12 | C13 | H4 | 109.5° | 109.4° |
| O12 | C13 | H5 | 109.4° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H5 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H11 | C6' | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C4' | O4' | 68.1° | 63.3° |
| O3' | C3' | C4' | C2' | 121.2° | 119.8° |
| O3' | C3' | C4' | H16 | 119.6° | 120.3° |
| O3' | C3' | C2' | H16 | 120.5° | 120.4° |
| O3' | C3' | C4' | C5' | 171.6° | 176.8° |
| O3' | C3' | C2' | O2' | 62.5° | 63.3° |
| O3' | C3' | C2' | C1' | 174.0° | 176.8° |
| O3' | C3' | C4' | H14 | 52.7° | 57.0° |
| O3' | C3' | C2' | H18 | 57.0° | 56.9° |
| O4' | C4' | C3' | C5' | 120.2° | 119.9° |
| O4' | C4' | C3' | H14 | 120.8° | 120.2° |
| O4' | C4' | C3' | C2' | 170.6° | 176.9° |
| O4' | C4' | C5' | H14 | 119.8° | 120.2° |
| O4' | C4' | C5' | C6' | 61.5° | 62.5° |
| O4' | C4' | C5' | O5' | 176.1° | 177.6° |
| O4' | C4' | C5' | H10 | 57.0° | 57.5° |
| O4' | C4' | C3' | H16 | 51.4° | 57.0° |
| C4' | C3' | C2' | H16 | 119.6° | 119.8° |
| C3' | C4' | C5' | H14 | 119.5° | 119.9° |
| C4' | C3' | C2' | O2' | 177.7° | 176.9° |
| C4' | C3' | C2' | C1' | 54.2° | 57.0° |
| C3' | C4' | C5' | C6' | 177.8° | 177.6° |
| C3' | C4' | C5' | O5' | 55.4° | 57.7° |
| C3' | C4' | C5' | H10 | 63.7° | 62.4° |
| C3' | C4' | O4' | H15 | 180.0° | 60.3° |
| C4' | C3' | O3' | H17 | 180.0° | 179.9° |
| C4' | C3' | C2' | H18 | 62.8° | 62.9° |
| C2' | C3' | C4' | C5' | 50.4° | 57.0° |
| C3' | C2' | O2' | C1' | 123.1° | 119.7° |
| C3' | C2' | O2' | H18 | 118.5° | 120.2° |
| C3' | C2' | C1' | H18 | 117.0° | 119.9° |
| C3' | C2' | C1' | O5' | 60.1° | 57.7° |
| C3' | C2' | C1' | C1 | 177.3° | 177.6° |
| C3' | C2' | C1' | H9 | 60.6° | 62.4° |
| C2' | C3' | C4' | H14 | 68.6° | 62.9° |
| C2' | C3' | O3' | H17 | 58.9° | 60.4° |
| C3' | C2' | O2' | H19 | 180.0° | 180.0° |
| C4' | C5' | C6' | O6' | 51.8° | 175.1° |
| C4' | C5' | C6' | O5' | 123.0° | 119.9° |
| C4' | C5' | C6' | H10 | 118.1° | 120.1° |
| C4' | C5' | O5' | H10 | 118.1° | 120.1° |
| C4' | C5' | O5' | C1' | 65.1° | 61.2° |
| C4' | C5' | C6' | H11 | 68.1° | 55.1° |
| C4' | C5' | C6' | H12 | 171.6° | 64.9° |
| C5' | C4' | O4' | H15 | 59.3° | 180.0° |
| C5' | C4' | C3' | H16 | 68.8° | 62.9° |
| O2' | C2' | C1' | H18 | 119.4° | 120.2° |
| O2' | C2' | C1' | O5' | 176.3° | 177.6° |
| O2' | C2' | C1' | C1 | 59.1° | 62.5° |
| O2' | C2' | C1' | H9 | 63.0° | 57.5° |
| O2' | C2' | C3' | H16 | 58.1° | 57.1° |
| C2' | C1' | O5' | C5' | 66.4° | 61.2° |
| C2' | C1' | O5' | C1 | 119.7° | 120.0° |
| C2' | C1' | O5' | H9 | 119.4° | 120.0° |
| C2' | C1' | C1 | H9 | 121.7° | 120.0° |
| C2' | C1' | C1 | N2 | 38.8° | 74.6° |
| C2' | C1' | C1 | N5 | 141.8° | 105.0° |
| C1' | C2' | C3' | H16 | 65.5° | 62.8° |
| C1' | C2' | O2' | H19 | 56.9° | 60.3° |
| O6' | C6' | C5' | H11 | 119.9° | 120.0° |
| O6' | C6' | C5' | H12 | 119.9° | 120.0° |
| O6' | C6' | C5' | O5' | 71.2° | 65.0° |
| O6' | C6' | C5' | H10 | 169.9° | 55.0° |
| O6' | C6' | H11 | H12 | 120.4° | 120.0° |
| C6' | C5' | O5' | H10 | 118.3° | 120.0° |
| C6' | C5' | O5' | C1' | 171.3° | 178.8° |
| C5' | C6' | H11 | H12 | 120.4° | 120.0° |
| C5' | C6' | O6' | H13 | 180.0° | 180.0° |
| C6' | C5' | C4' | H14 | 58.2° | 57.7° |
| C5' | O5' | C1' | C1 | 173.9° | 178.8° |
| C5' | O5' | C1' | H9 | 53.0° | 58.9° |
| O5' | C5' | C6' | H11 | 168.9° | 175.0° |
| O5' | C5' | C6' | H12 | 48.7° | 55.0° |
| O5' | C5' | C4' | H14 | 64.1° | 62.2° |
| O5' | C1' | C1 | H9 | 121.7° | 120.0° |
| O5' | C1' | C1 | N2 | 77.8° | 45.3° |
| O5' | C1' | C1 | N5 | 101.6° | 135.0° |
| C1' | O5' | C5' | H10 | 53.1° | 58.9° |
| O5' | C1' | C2' | H18 | 56.9° | 62.3° |
| C1' | C1 | N2 | N5 | 179.5° | 179.7° |
| C1' | C1 | N2 | N3 | 179.3° | 179.7° |
| C1' | C1 | N5 | C4 | 178.6° | 179.7° |
| C1 | C1' | C2' | H18 | 60.3° | 57.7° |
| C1 | N2 | N3 | C4 | 0.7° | 0.0° |
| N2 | C1 | N5 | C4 | 0.9° | 0.0° |
| C1 | N2 | N3 | H2 | 179.4° | 180.0° |
| N2 | C1 | C1' | H9 | 160.6° | 165.3° |
| N3 | N2 | C1 | N5 | 0.2° | 0.0° |
| N2 | N3 | C4 | H2 | 180.0° | 180.0° |
| N2 | N3 | C4 | N5 | 1.3° | 0.0° |
| N2 | N3 | C4 | C6 | 179.8° | 180.0° |
| C1 | N5 | C4 | N3 | 1.4° | 0.0° |
| C1 | N5 | C4 | C6 | 179.8° | 180.0° |
| N5 | C1 | C1' | H9 | 20.0° | 15.0° |
| N3 | C4 | N5 | C6 | 178.4° | 180.0° |
| N3 | C4 | C6 | C7 | 10.6° | 0.1° |
| N3 | C4 | C6 | C11 | 168.0° | 179.7° |
| N5 | C4 | C6 | C7 | 167.7° | 179.9° |
| N5 | C4 | C6 | C11 | 13.7° | 0.3° |
| N5 | C4 | N3 | H2 | 178.7° | 180.0° |
| C4 | C6 | C7 | C11 | 178.6° | 179.7° |
| C4 | C6 | C7 | C8 | 180.0° | 180.0° |
| C4 | C6 | C11 | C10 | 179.8° | 179.9° |
| C4 | C6 | C7 | H1 | 0.0° | 0.1° |
| C6 | C4 | N3 | H2 | 0.3° | 0.0° |
| C4 | C6 | C11 | H7 | 0.2° | 0.0° |
| C6 | C7 | C8 | H1 | 180.0° | 179.9° |
| C7 | C6 | C11 | C10 | 1.5° | 0.3° |
| C6 | C7 | C8 | C9 | 1.2° | 0.0° |
| C7 | C6 | C11 | H7 | 178.5° | 179.7° |
| C6 | C7 | C8 | H8 | 178.9° | 179.9° |
| C11 | C6 | C7 | C8 | 1.4° | 0.3° |
| C6 | C11 | C10 | H7 | 180.0° | 179.9° |
| C6 | C11 | C10 | C9 | 1.4° | 0.0° |
| C11 | C6 | C7 | H1 | 178.6° | 179.8° |
| C6 | C11 | C10 | H6 | 178.7° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 1.0° | 0.3° |
| C7 | C8 | C9 | O12 | 179.9° | 180.0° |
| C11 | C10 | C9 | C8 | 1.0° | 0.3° |
| C11 | C10 | C9 | H6 | 180.0° | 179.9° |
| C11 | C10 | C9 | O12 | 179.9° | 180.0° |
| C8 | C9 | C10 | O12 | 179.0° | 179.7° |
| C8 | C9 | O12 | C13 | 168.3° | 0.3° |
| C9 | C8 | C7 | H1 | 178.9° | 180.0° |
| C8 | C9 | C10 | H6 | 179.0° | 179.8° |
| C10 | C9 | O12 | C13 | 12.6° | 180.0° |
| C9 | C10 | C11 | H7 | 178.6° | 180.0° |
| C10 | C9 | C8 | H8 | 179.0° | 179.8° |
| C9 | O12 | C13 | H3 | 180.0° | 60.0° |
| C9 | O12 | C13 | H4 | 60.0° | 180.0° |
| C9 | O12 | C13 | H5 | 60.0° | 60.0° |
| O12 | C9 | C10 | H6 | 0.1° | 0.0° |
| O12 | C9 | C8 | H8 | 0.1° | 0.0° |
| O12 | C13 | H3 | H4 | 120.0° | 120.0° |
| O12 | C13 | H3 | H5 | 120.0° | 120.0° |
| O12 | C13 | H4 | H5 | 120.0° | 120.0° |
| H1 | C7 | C8 | H8 | 1.1° | 0.0° |
| H3 | C13 | H4 | H5 | 120.0° | 120.0° |
| H6 | C10 | C11 | H7 | 1.3° | 0.1° |
| H9 | C1' | C2' | H18 | 177.6° | 177.7° |
| H10 | C5' | C6' | H11 | 50.0° | 65.0° |
| H10 | C5' | C6' | H12 | 70.3° | 175.0° |
| H10 | C5' | C4' | H14 | 176.7° | 177.7° |
| H11 | C6' | O6' | H13 | 60.1° | 60.1° |
| H12 | C6' | O6' | H13 | 60.1° | 60.0° |
| H14 | C4' | O4' | H15 | 59.5° | 59.9° |
| H14 | C4' | C3' | H16 | 172.3° | 177.3° |
| H16 | C3' | O3' | H17 | 60.8° | 59.8° |
| H16 | C3' | C2' | H18 | 177.6° | 177.3° |
| H18 | C2' | O2' | H19 | 61.5° | 59.8° |
