B1W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.44Å | |
| O4' | C4' | sing | 1.43Å | 1.44Å | |
| C3' | C4' | sing | 1.53Å | 1.51Å | |
| C3' | C2' | sing | 1.53Å | 1.54Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| C2' | C1' | sing | 1.53Å | 1.55Å | |
| O6' | C6' | sing | 1.43Å | 1.42Å | |
| C5' | C6' | sing | 1.53Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C1' | O5' | sing | 1.43Å | 1.42Å | |
| C1' | C1 | sing | 1.51Å | 1.48Å | |
| N2 | C1 | doub | 1.31Å | 1.35Å | Aromatic |
| N2 | N3 | sing | 1.29Å | 1.39Å | Aromatic |
| C1 | N5 | sing | 1.36Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.32Å | 1.33Å | Aromatic |
| N5 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| C4 | C6 | sing | 1.48Å | 1.48Å | |
| C6 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | N12 | sing | 1.40Å | 1.36Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| O4' | H3 | sing | 0.97Å | 0.95Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C6' | H6 | sing | 1.09Å | 1.10Å | |
| C6' | H7 | sing | 1.09Å | 1.10Å | |
| O6' | H8 | sing | 0.97Å | 0.95Å | |
| C3' | H9 | sing | 1.09Å | 1.10Å | |
| O3' | H10 | sing | 0.97Å | 0.95Å | |
| C2' | H11 | sing | 1.09Å | 1.10Å | |
| O2' | H12 | sing | 0.97Å | 0.95Å | |
| C1' | H13 | sing | 1.09Å | 1.10Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å | |
| C7 | H15 | sing | 1.08Å | 1.08Å | |
| C8 | H16 | sing | 1.08Å | 1.08Å | |
| N12 | H17 | sing | 0.97Å | 1.00Å | |
| N12 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 109.0° | 109.5° |
| O3' | C3' | C2' | 110.8° | 109.6° |
| O3' | C3' | H9 | 109.9° | 109.6° |
| C3' | O3' | H10 | 109.5° | 114.0° |
| O4' | C4' | C3' | 109.7° | 109.6° |
| O4' | C4' | C5' | 109.8° | 109.5° |
| C4' | O4' | H3 | 109.5° | 113.9° |
| O4' | C4' | H4 | 109.3° | 109.6° |
| C4' | C3' | C2' | 109.5° | 109.1° |
| C3' | C4' | C5' | 111.6° | 109.1° |
| C3' | C4' | H4 | 108.4° | 109.6° |
| C4' | C3' | H9 | 109.0° | 109.5° |
| C3' | C2' | O2' | 110.1° | 109.5° |
| C3' | C2' | C1' | 110.5° | 109.2° |
| C2' | C3' | H9 | 108.6° | 109.6° |
| C3' | C2' | H11 | 108.1° | 109.5° |
| C4' | C5' | C6' | 110.7° | 109.5° |
| C4' | C5' | O5' | 110.1° | 109.4° |
| C5' | C4' | H4 | 108.0° | 109.5° |
| C4' | C5' | H5 | 108.2° | 109.5° |
| O2' | C2' | C1' | 110.7° | 109.5° |
| O2' | C2' | H11 | 109.5° | 109.6° |
| C2' | O2' | H12 | 109.5° | 114.0° |
| C2' | C1' | O5' | 107.0° | 109.4° |
| C2' | C1' | C1 | 111.0° | 109.5° |
| C1' | C2' | H11 | 107.9° | 109.5° |
| C2' | C1' | H13 | 109.6° | 109.5° |
| O6' | C6' | C5' | 110.9° | 109.5° |
| O6' | C6' | H6 | 109.1° | 109.5° |
| O6' | C6' | H7 | 109.1° | 109.5° |
| C6' | O6' | H8 | 109.5° | 114.0° |
| C6' | C5' | O5' | 109.7° | 109.5° |
| C6' | C5' | H5 | 108.5° | 109.5° |
| C5' | C6' | H6 | 109.1° | 109.5° |
| C5' | C6' | H7 | 109.1° | 109.5° |
| C5' | O5' | C1' | 111.4° | 114.1° |
| O5' | C5' | H5 | 109.6° | 109.5° |
| O5' | C1' | C1 | 107.4° | 109.5° |
| O5' | C1' | H13 | 111.4° | 109.5° |
| C1' | C1 | N2 | 123.4° | 126.3° |
| C1' | C1 | N5 | 128.4° | 126.3° |
| C1 | C1' | H13 | 110.5° | 109.5° |
| C1 | N2 | N3 | 109.4° | 110.1° |
| N2 | C1 | N5 | 108.2° | 107.4° |
| N2 | N3 | C4 | 103.9° | 109.7° |
| C1 | N5 | C4 | 106.2° | 105.8° |
| C1 | N5 | H14 | 126.9° | 127.1° |
| N3 | C4 | N5 | 112.3° | 107.0° |
| N3 | C4 | C6 | 126.3° | 126.5° |
| N5 | C4 | C6 | 121.4° | 126.5° |
| C4 | N5 | H14 | 126.9° | 127.1° |
| C4 | C6 | C7 | 116.2° | 120.1° |
| C4 | C6 | C11 | 123.7° | 120.0° |
| C7 | C6 | C11 | 120.1° | 119.9° |
| C6 | C7 | C8 | 120.0° | 120.0° |
| C6 | C7 | H15 | 120.0° | 120.0° |
| C6 | C11 | C10 | 119.3° | 119.9° |
| C6 | C11 | H2 | 120.4° | 120.1° |
| C7 | C8 | C9 | 119.8° | 120.0° |
| C8 | C7 | H15 | 120.0° | 120.0° |
| C7 | C8 | H16 | 120.1° | 120.0° |
| C11 | C10 | C9 | 120.3° | 120.0° |
| C11 | C10 | H1 | 119.8° | 120.0° |
| C10 | C11 | H2 | 120.3° | 120.0° |
| C8 | C9 | C10 | 120.5° | 120.1° |
| C8 | C9 | N12 | 119.8° | 119.9° |
| C9 | C8 | H16 | 120.1° | 119.9° |
| C10 | C9 | N12 | 119.8° | 119.9° |
| C9 | C10 | H1 | 119.9° | 120.0° |
| C9 | N12 | H17 | 109.5° | 120.0° |
| C9 | N12 | H18 | 109.4° | 120.0° |
| H6 | C6' | H7 | 109.5° | 109.4° |
| H17 | N12 | H18 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C4' | O4' | 67.2° | 63.3° |
| O3' | C3' | C4' | C2' | 121.4° | 119.9° |
| O3' | C3' | C4' | H9 | 119.9° | 120.2° |
| O3' | C3' | C2' | H9 | 120.8° | 120.3° |
| O3' | C3' | C4' | C5' | 171.0° | 176.9° |
| O3' | C3' | C2' | O2' | 63.7° | 63.3° |
| O3' | C3' | C2' | C1' | 173.7° | 176.8° |
| O3' | C3' | C4' | H4 | 52.2° | 57.0° |
| O3' | C3' | C2' | H11 | 55.8° | 56.9° |
| O4' | C4' | C3' | C5' | 121.9° | 119.9° |
| O4' | C4' | C3' | H4 | 119.4° | 120.2° |
| O4' | C4' | C3' | C2' | 171.5° | 176.8° |
| O4' | C4' | C5' | H4 | 119.1° | 120.1° |
| O4' | C4' | C5' | C6' | 62.4° | 62.5° |
| O4' | C4' | C5' | O5' | 176.2° | 177.5° |
| O4' | C4' | C5' | H5 | 56.4° | 57.5° |
| O4' | C4' | C3' | H9 | 52.8° | 57.0° |
| C4' | C3' | C2' | H9 | 118.9° | 119.9° |
| C3' | C4' | C5' | H4 | 119.0° | 119.9° |
| C4' | C3' | C2' | O2' | 176.0° | 176.9° |
| C4' | C3' | C2' | C1' | 53.4° | 57.0° |
| C3' | C4' | C5' | C6' | 175.8° | 177.6° |
| C3' | C4' | C5' | O5' | 54.4° | 57.6° |
| C3' | C4' | O4' | H3 | 180.0° | 60.4° |
| C3' | C4' | C5' | H5 | 65.4° | 62.4° |
| C4' | C3' | O3' | H10 | 180.0° | 180.0° |
| C4' | C3' | C2' | H11 | 64.5° | 62.9° |
| C2' | C3' | C4' | C5' | 49.6° | 57.0° |
| C3' | C2' | O2' | C1' | 122.5° | 119.7° |
| C3' | C2' | O2' | H11 | 118.7° | 120.1° |
| C3' | C2' | C1' | H11 | 117.9° | 119.9° |
| C3' | C2' | C1' | O5' | 61.1° | 57.6° |
| C3' | C2' | C1' | C1 | 177.9° | 177.6° |
| C2' | C3' | C4' | H4 | 69.2° | 62.9° |
| C2' | C3' | O3' | H10 | 59.5° | 60.5° |
| C3' | C2' | O2' | H12 | 180.0° | 60.0° |
| C3' | C2' | C1' | H13 | 59.8° | 62.4° |
| C4' | C5' | C6' | O6' | 53.7° | 175.0° |
| C4' | C5' | C6' | O5' | 121.7° | 119.9° |
| C4' | C5' | C6' | H5 | 118.6° | 120.0° |
| C4' | C5' | O5' | H5 | 118.9° | 120.0° |
| C4' | C5' | O5' | C1' | 64.1° | 61.2° |
| C5' | C4' | O4' | H3 | 57.1° | 180.0° |
| C4' | C5' | C6' | H6 | 66.6° | 55.0° |
| C4' | C5' | C6' | H7 | 173.9° | 64.9° |
| C5' | C4' | C3' | H9 | 69.1° | 62.9° |
| O2' | C2' | C1' | H11 | 119.8° | 120.2° |
| O2' | C2' | C1' | O5' | 176.7° | 177.5° |
| O2' | C2' | C1' | C1 | 59.9° | 62.5° |
| O2' | C2' | C3' | H9 | 57.1° | 57.0° |
| O2' | C2' | C1' | H13 | 62.4° | 57.5° |
| C2' | C1' | O5' | C5' | 66.8° | 61.2° |
| C2' | C1' | O5' | C1 | 119.2° | 120.0° |
| C2' | C1' | O5' | H13 | 119.8° | 120.0° |
| C2' | C1' | C1 | H13 | 121.8° | 120.1° |
| C2' | C1' | C1 | N2 | 39.3° | 55.3° |
| C2' | C1' | C1 | N5 | 142.1° | 125.0° |
| C1' | C2' | C3' | H9 | 65.5° | 62.9° |
| C1' | C2' | O2' | H12 | 57.5° | 179.7° |
| O6' | C6' | C5' | H6 | 120.2° | 120.0° |
| O6' | C6' | C5' | H7 | 120.2° | 120.1° |
| O6' | C6' | C5' | O5' | 68.0° | 65.1° |
| O6' | C6' | C5' | H5 | 172.3° | 54.9° |
| O6' | C6' | H6 | H7 | 119.3° | 120.0° |
| C6' | C5' | O5' | H5 | 119.0° | 120.0° |
| C6' | C5' | O5' | C1' | 173.9° | 178.8° |
| C6' | C5' | C4' | H4 | 56.8° | 57.6° |
| C5' | C6' | H6 | H7 | 119.3° | 120.0° |
| C5' | C6' | O6' | H8 | 180.0° | 180.0° |
| C5' | O5' | C1' | C1 | 174.0° | 178.8° |
| O5' | C5' | C4' | H4 | 64.6° | 62.4° |
| O5' | C5' | C6' | H6 | 171.8° | 174.9° |
| O5' | C5' | C6' | H7 | 52.2° | 55.0° |
| C5' | O5' | C1' | H13 | 52.9° | 58.8° |
| O5' | C1' | C1 | H13 | 121.6° | 120.0° |
| O5' | C1' | C1 | N2 | 77.4° | 64.7° |
| O5' | C1' | C1 | N5 | 101.2° | 115.1° |
| C1' | O5' | C5' | H5 | 54.9° | 58.8° |
| O5' | C1' | C2' | H11 | 56.9° | 62.3° |
| C1' | C1 | N2 | N5 | 178.8° | 179.8° |
| C1' | C1 | N2 | N3 | 178.6° | 179.8° |
| C1' | C1 | N5 | C4 | 178.6° | 180.0° |
| C1 | C1' | C2' | H11 | 60.0° | 57.7° |
| C1' | C1 | N5 | H14 | 1.3° | 0.1° |
| C1 | N2 | N3 | C4 | 0.2° | 0.3° |
| N2 | C1 | N5 | C4 | 0.2° | 0.2° |
| N2 | C1 | C1' | H13 | 161.0° | 175.3° |
| N2 | C1 | N5 | H14 | 179.9° | 179.9° |
| N3 | N2 | C1 | N5 | 0.2° | 0.0° |
| N2 | N3 | C4 | N5 | 0.1° | 0.4° |
| N2 | N3 | C4 | C6 | 179.7° | 180.0° |
| C1 | N5 | C4 | N3 | 0.1° | 0.4° |
| C1 | N5 | C4 | H14 | 180.0° | 179.9° |
| C1 | N5 | C4 | C6 | 179.8° | 180.0° |
| N5 | C1 | C1' | H13 | 20.4° | 4.9° |
| N3 | C4 | N5 | C6 | 179.8° | 179.7° |
| N3 | C4 | C6 | C7 | 12.4° | 0.4° |
| N3 | C4 | C6 | C11 | 167.1° | 179.3° |
| N3 | C4 | N5 | H14 | 180.0° | 179.7° |
| N5 | C4 | C6 | C7 | 167.3° | 180.0° |
| N5 | C4 | C6 | C11 | 13.2° | 0.3° |
| C4 | C6 | C7 | C11 | 179.5° | 179.7° |
| C4 | C6 | C7 | C8 | 179.8° | 180.0° |
| C4 | C6 | C11 | C10 | 180.0° | 180.0° |
| C4 | C6 | C11 | H2 | 0.0° | 0.1° |
| C6 | C4 | N5 | H14 | 0.2° | 0.1° |
| C4 | C6 | C7 | H15 | 0.2° | 0.0° |
| C6 | C7 | C8 | H15 | 180.0° | 180.0° |
| C7 | C6 | C11 | C10 | 0.4° | 0.3° |
| C6 | C7 | C8 | C9 | 0.7° | 0.0° |
| C7 | C6 | C11 | H2 | 179.5° | 179.8° |
| C6 | C7 | C8 | H16 | 179.3° | 180.0° |
| C11 | C6 | C7 | C8 | 0.7° | 0.3° |
| C6 | C11 | C10 | H2 | 180.0° | 179.9° |
| C6 | C11 | C10 | C9 | 0.3° | 0.1° |
| C6 | C11 | C10 | H1 | 179.7° | 179.7° |
| C11 | C6 | C7 | H15 | 179.4° | 179.7° |
| C7 | C8 | C9 | H16 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.5° | 0.3° |
| C7 | C8 | C9 | N12 | 179.9° | 180.0° |
| C11 | C10 | C9 | C8 | 0.3° | 0.2° |
| C11 | C10 | C9 | H1 | 180.0° | 179.8° |
| C11 | C10 | C9 | N12 | 179.7° | 180.0° |
| C8 | C9 | C10 | N12 | 179.5° | 179.8° |
| C8 | C9 | C10 | H1 | 179.7° | 180.0° |
| C9 | C8 | C7 | H15 | 179.4° | 180.0° |
| C8 | C9 | N12 | H17 | 180.0° | 179.8° |
| C8 | C9 | N12 | H18 | 60.0° | 0.2° |
| C9 | C10 | C11 | H2 | 179.7° | 180.0° |
| C10 | C9 | C8 | H16 | 179.5° | 179.7° |
| C10 | C9 | N12 | H17 | 0.5° | 0.0° |
| C10 | C9 | N12 | H18 | 120.5° | 180.0° |
| N12 | C9 | C10 | H1 | 0.3° | 0.2° |
| N12 | C9 | C8 | H16 | 0.0° | 0.1° |
| C9 | N12 | H17 | H18 | 120.0° | 180.0° |
| H1 | C10 | C11 | H2 | 0.3° | 0.2° |
| H3 | O4' | C4' | H4 | 61.2° | 59.9° |
| H4 | C4' | C5' | H5 | 175.6° | 177.7° |
| H4 | C4' | C3' | H9 | 172.1° | 177.2° |
| H5 | C5' | C6' | H6 | 52.1° | 65.1° |
| H5 | C5' | C6' | H7 | 67.5° | 175.0° |
| H6 | C6' | O6' | H8 | 59.7° | 60.0° |
| H7 | C6' | O6' | H8 | 59.8° | 59.9° |
| H9 | C3' | O3' | H10 | 60.6° | 59.8° |
| H9 | C3' | C2' | H11 | 176.6° | 177.2° |
| H11 | C2' | O2' | H12 | 61.3° | 60.2° |
| H11 | C2' | C1' | H13 | 177.8° | 177.7° |
| H15 | C7 | C8 | H16 | 0.7° | 0.0° |
