B8W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| OP2 | P | sing | 1.61Å | 1.51Å | |
| O5' | P | sing | 1.61Å | 1.59Å | |
| N9 | C4 | sing | 1.37Å | 1.32Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.34Å | Aromatic |
| P | OP1 | doub | 1.48Å | 1.50Å | |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.46Å | Aromatic |
| N2 | C2 | sing | 1.39Å | 1.34Å | |
| C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
| C2 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.47Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | O6 | sing | 1.35Å | 1.36Å | |
| O6 | C61 | sing | 1.43Å | 1.42Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C1' | H4 | sing | 1.09Å | 1.10Å | |
| C2' | H5 | sing | 1.09Å | 1.10Å | |
| C3' | H6 | sing | 1.09Å | 1.10Å | |
| C4' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| C61 | H10 | sing | 1.09Å | 1.10Å | |
| C61 | H11 | sing | 1.09Å | 1.10Å | |
| C61 | H12 | sing | 1.09Å | 1.10Å | |
| O2' | H13 | sing | 0.97Å | 0.95Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å | |
| OP2 | H16 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| OP3 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2' | C2' | C1' | 107.7° | 110.9° |
| O2' | C2' | C3' | 110.6° | 110.9° |
| O2' | C2' | H5 | 113.1° | 110.8° |
| C2' | O2' | H13 | 109.5° | 114.0° |
| O4' | C4' | C5' | 109.1° | 109.9° |
| O4' | C4' | C3' | 104.8° | 107.3° |
| C4' | O4' | C1' | 110.6° | 107.0° |
| O4' | C4' | H7 | 109.5° | 109.8° |
| C5' | C4' | C3' | 116.1° | 109.9° |
| C4' | C5' | O5' | 111.5° | 109.4° |
| C5' | C4' | H7 | 108.7° | 109.9° |
| C4' | C5' | H8 | 109.0° | 109.5° |
| C4' | C5' | H9 | 109.0° | 109.5° |
| C4' | C3' | O3' | 112.2° | 110.6° |
| C4' | C3' | C2' | 103.5° | 104.2° |
| C4' | C3' | H6 | 108.8° | 110.5° |
| C3' | C4' | H7 | 108.5° | 110.1° |
| O4' | C1' | C2' | 108.1° | 103.5° |
| O4' | C1' | N9 | 108.2° | 110.6° |
| O4' | C1' | H4 | 109.7° | 110.8° |
| C5' | O5' | P | 121.1° | 123.0° |
| O5' | C5' | H8 | 109.0° | 109.4° |
| O5' | C5' | H9 | 109.0° | 109.5° |
| O3' | C3' | C2' | 113.1° | 110.5° |
| O3' | C3' | H6 | 110.2° | 110.4° |
| C3' | O3' | H14 | 109.5° | 114.0° |
| C2' | C1' | N9 | 113.8° | 110.6° |
| C1' | C2' | C3' | 102.0° | 102.1° |
| C2' | C1' | H4 | 108.2° | 110.6° |
| C1' | C2' | H5 | 111.5° | 111.0° |
| C1' | N9 | C4 | 125.7° | 126.3° |
| C1' | N9 | C8 | 126.0° | 126.3° |
| N9 | C1' | H4 | 108.8° | 110.6° |
| C3' | C2' | H5 | 111.4° | 110.9° |
| C2' | C3' | H6 | 108.7° | 110.5° |
| OP2 | P | O5' | 106.7° | 109.5° |
| OP2 | P | OP1 | 119.2° | 109.5° |
| P | OP2 | H16 | 109.5° | 114.0° |
| OP2 | P | OP3 | 109.0° | 109.4° |
| O5' | P | OP1 | 110.5° | 109.5° |
| O5' | P | OP3 | 104.2° | 109.5° |
| C4 | N9 | C8 | 108.2° | 107.4° |
| N9 | C4 | N3 | 134.9° | 134.8° |
| N9 | C4 | C5 | 106.5° | 106.0° |
| N9 | C8 | N7 | 111.6° | 110.0° |
| N9 | C8 | H3 | 124.2° | 125.0° |
| OP1 | P | OP3 | 106.2° | 109.5° |
| C4 | N3 | C2 | 120.9° | 120.5° |
| N3 | C4 | C5 | 118.7° | 119.1° |
| N3 | C2 | N2 | 117.7° | 118.9° |
| N3 | C2 | N1 | 123.4° | 122.3° |
| C4 | C5 | N7 | 106.7° | 107.1° |
| C4 | C5 | C6 | 117.5° | 118.3° |
| N2 | C2 | N1 | 118.9° | 118.9° |
| C2 | N2 | H1 | 109.5° | 120.0° |
| C2 | N2 | H2 | 109.5° | 120.0° |
| C8 | N7 | C5 | 107.0° | 109.4° |
| N7 | C8 | H3 | 124.2° | 125.0° |
| C2 | N1 | C6 | 121.6° | 121.2° |
| N7 | C5 | C6 | 135.8° | 134.6° |
| C5 | C6 | N1 | 117.9° | 118.6° |
| C5 | C6 | O6 | 121.8° | 120.7° |
| N1 | C6 | O6 | 120.2° | 120.7° |
| C6 | O6 | C61 | 118.6° | 117.0° |
| O6 | C61 | H10 | 109.5° | 109.5° |
| O6 | C61 | H11 | 109.5° | 109.5° |
| O6 | C61 | H12 | 109.5° | 109.5° |
| H1 | N2 | H2 | 109.4° | 120.0° |
| H8 | C5' | H9 | 109.5° | 109.5° |
| H10 | C61 | H11 | 109.5° | 109.5° |
| H10 | C61 | H12 | 109.5° | 109.5° |
| H11 | C61 | H12 | 109.5° | 109.5° |
| P | OP3 | H15 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2' | C2' | C3' | C4' | 81.9° | 139.1° |
| O2' | C2' | C1' | O4' | 92.5° | 155.2° |
| O2' | C2' | C3' | O3' | 39.8° | 20.3° |
| O2' | C2' | C1' | C3' | 116.4° | 118.2° |
| O2' | C2' | C1' | H5 | 124.6° | 123.6° |
| O2' | C2' | C1' | N9 | 147.2° | 86.3° |
| O2' | C2' | C3' | H5 | 126.7° | 123.5° |
| O2' | C2' | C1' | H4 | 26.2° | 36.6° |
| O2' | C2' | C3' | H6 | 162.6° | 102.2° |
| O4' | C4' | C5' | C3' | 118.1° | 117.8° |
| O4' | C4' | C5' | H7 | 119.3° | 120.9° |
| O4' | C4' | C3' | H7 | 116.9° | 119.4° |
| O4' | C4' | C5' | O5' | 52.3° | 66.5° |
| O4' | C4' | C3' | O3' | 152.5° | 120.8° |
| C4' | O4' | C1' | C2' | 5.3° | 40.1° |
| C4' | O4' | C1' | N9 | 118.4° | 158.6° |
| O4' | C4' | C3' | C2' | 30.2° | 2.0° |
| C4' | O4' | C1' | H4 | 123.1° | 78.5° |
| O4' | C4' | C3' | H6 | 85.3° | 116.7° |
| O4' | C4' | C5' | H8 | 68.0° | 173.6° |
| O4' | C4' | C5' | H9 | 172.6° | 53.5° |
| C5' | C4' | C3' | H7 | 122.7° | 121.2° |
| C5' | C4' | O4' | C1' | 140.8° | 145.9° |
| C4' | C5' | O5' | H8 | 120.3° | 119.9° |
| C4' | C5' | O5' | H9 | 120.3° | 120.0° |
| C5' | C4' | C3' | O3' | 87.1° | 119.8° |
| C5' | C4' | C3' | C2' | 150.6° | 121.4° |
| C4' | C5' | O5' | P | 153.5° | 180.0° |
| C5' | C4' | C3' | H6 | 35.1° | 2.7° |
| C4' | C5' | H8 | H9 | 119.1° | 120.1° |
| C3' | C4' | O4' | C1' | 15.8° | 26.5° |
| C3' | C4' | C5' | O5' | 65.8° | 175.7° |
| C4' | C3' | O3' | C2' | 116.7° | 114.9° |
| C4' | C3' | O3' | H6 | 121.4° | 122.6° |
| C4' | C3' | C2' | C1' | 32.4° | 20.9° |
| C4' | C3' | C2' | H6 | 115.5° | 118.7° |
| C4' | C3' | C2' | H5 | 151.4° | 97.4° |
| C3' | C4' | C5' | H8 | 173.9° | 55.8° |
| C3' | C4' | C5' | H9 | 54.5° | 64.3° |
| C4' | C3' | O3' | H14 | 180.0° | 176.4° |
| O4' | C1' | C2' | N9 | 120.2° | 118.5° |
| O4' | C1' | C2' | H4 | 118.7° | 118.7° |
| O4' | C1' | N9 | H4 | 119.1° | 123.1° |
| O4' | C1' | C2' | C3' | 23.9° | 37.0° |
| O4' | C1' | N9 | C4 | 153.9° | 161.0° |
| O4' | C1' | N9 | C8 | 22.9° | 19.0° |
| O4' | C1' | C2' | H5 | 142.9° | 81.2° |
| C1' | O4' | C4' | H7 | 100.4° | 93.1° |
| C5' | O5' | P | OP2 | 48.6° | 65.0° |
| C5' | O5' | P | OP1 | 179.6° | 55.0° |
| O5' | C5' | C4' | H7 | 171.6° | 54.5° |
| O5' | C5' | H8 | H9 | 119.1° | 120.0° |
| C5' | O5' | P | OP3 | 66.6° | 175.0° |
| O3' | C3' | C2' | C1' | 154.1° | 97.9° |
| O3' | C3' | C2' | H6 | 122.8° | 122.5° |
| O3' | C3' | C2' | H5 | 86.9° | 143.8° |
| O3' | C3' | C4' | H7 | 35.6° | 1.3° |
| C2' | C1' | N9 | H4 | 120.7° | 122.9° |
| C1' | C2' | C3' | H5 | 119.0° | 118.2° |
| C2' | C1' | N9 | C4 | 85.9° | 85.0° |
| C2' | C1' | N9 | C8 | 97.3° | 95.1° |
| C1' | C2' | C3' | H6 | 83.1° | 139.6° |
| C1' | C2' | O2' | H13 | 180.0° | 180.0° |
| N9 | C1' | C2' | C3' | 96.3° | 155.5° |
| C1' | N9 | C4 | C8 | 177.2° | 180.0° |
| C1' | N9 | C4 | N3 | 2.4° | 0.0° |
| C1' | N9 | C4 | C5 | 178.3° | 180.0° |
| C1' | N9 | C8 | N7 | 178.3° | 180.0° |
| C1' | N9 | C8 | H3 | 1.7° | 0.0° |
| N9 | C1' | C2' | H5 | 22.6° | 37.3° |
| C3' | C2' | C1' | H4 | 142.6° | 81.6° |
| C2' | C3' | C4' | H7 | 86.7° | 117.4° |
| C3' | C2' | O2' | H13 | 69.4° | 67.2° |
| C2' | C3' | O3' | H14 | 63.3° | 61.5° |
| OP2 | P | O5' | OP1 | 131.0° | 120.0° |
| OP2 | P | O5' | OP3 | 115.2° | 120.0° |
| OP2 | P | OP1 | OP3 | 123.4° | 120.0° |
| OP2 | P | OP3 | H15 | 129.6° | 60.1° |
| O5' | P | OP1 | OP3 | 112.5° | 120.0° |
| P | O5' | C5' | H8 | 33.2° | 60.0° |
| P | O5' | C5' | H9 | 86.2° | 60.0° |
| O5' | P | OP2 | H16 | 126.0° | 60.0° |
| O5' | P | OP3 | H15 | 116.8° | 180.0° |
| N9 | C4 | N3 | C5 | 179.2° | 179.9° |
| N9 | C4 | N3 | C2 | 179.2° | 180.0° |
| C4 | N9 | C8 | N7 | 1.1° | 0.0° |
| N9 | C4 | C5 | N7 | 0.6° | 0.0° |
| N9 | C4 | C5 | C6 | 179.5° | 180.0° |
| C4 | N9 | C8 | H3 | 178.9° | 180.0° |
| C4 | N9 | C1' | H4 | 34.7° | 37.9° |
| C8 | N9 | C4 | N3 | 179.7° | 180.0° |
| C8 | N9 | C4 | C5 | 1.0° | 0.0° |
| N9 | C8 | N7 | H3 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.7° | 0.0° |
| C8 | N9 | C1' | H4 | 142.0° | 142.1° |
| OP1 | P | OP2 | H16 | 0.0° | 180.0° |
| OP1 | P | OP3 | H15 | 0.0° | 59.9° |
| C4 | N3 | C2 | N2 | 179.6° | 179.7° |
| C4 | N3 | C2 | N1 | 0.1° | 0.0° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C2 | N3 | C4 | C5 | 0.1° | 0.1° |
| N3 | C2 | N2 | N1 | 179.5° | 179.7° |
| N3 | C2 | N1 | C6 | 0.0° | 0.0° |
| N3 | C2 | N2 | H1 | 0.0° | 179.7° |
| N3 | C2 | N2 | H2 | 120.0° | 0.3° |
| C4 | C5 | N7 | C8 | 0.0° | 0.0° |
| C4 | C5 | N7 | C6 | 179.8° | 179.9° |
| C4 | C5 | C6 | N1 | 0.2° | 0.1° |
| C4 | C5 | C6 | O6 | 179.8° | 179.9° |
| N2 | C2 | N1 | C6 | 179.5° | 179.7° |
| C2 | N2 | H1 | H2 | 120.0° | 180.0° |
| C8 | N7 | C5 | C6 | 179.8° | 180.0° |
| C2 | N1 | C6 | C5 | 0.2° | 0.0° |
| C2 | N1 | C6 | O6 | 179.9° | 179.9° |
| N1 | C2 | N2 | H1 | 179.5° | 0.0° |
| N1 | C2 | N2 | H2 | 59.5° | 180.0° |
| N7 | C5 | C6 | N1 | 180.0° | 180.0° |
| N7 | C5 | C6 | O6 | 0.1° | 0.0° |
| C5 | N7 | C8 | H3 | 179.3° | 180.0° |
| C5 | C6 | N1 | O6 | 179.9° | 180.0° |
| C5 | C6 | O6 | C61 | 145.2° | 180.0° |
| N1 | C6 | O6 | C61 | 34.9° | 0.0° |
| C6 | O6 | C61 | H10 | 180.0° | 60.0° |
| C6 | O6 | C61 | H11 | 60.0° | 60.0° |
| C6 | O6 | C61 | H12 | 60.0° | 180.0° |
| O6 | C61 | H10 | H11 | 120.0° | 120.0° |
| O6 | C61 | H10 | H12 | 120.0° | 120.0° |
| O6 | C61 | H11 | H12 | 120.0° | 120.0° |
| H4 | C1' | C2' | H5 | 98.4° | 160.2° |
| H5 | C2' | C3' | H6 | 35.9° | 21.3° |
| H5 | C2' | O2' | H13 | 56.4° | 56.3° |
| H6 | C3' | C4' | H7 | 157.8° | 123.9° |
| H6 | C3' | O3' | H14 | 58.6° | 61.1° |
| H7 | C4' | C5' | H8 | 51.3° | 65.5° |
| H7 | C4' | C5' | H9 | 68.1° | 174.5° |
| H10 | C61 | H11 | H12 | 120.0° | 120.0° |
| H16 | OP2 | P | OP3 | 122.0° | 60.0° |
