B9B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2' | C2' | sing | 1.43Å | 1.41Å | |
| C61 | C62 | sing | 1.53Å | 1.52Å | |
| C61 | O6 | sing | 1.43Å | 1.42Å | |
| N2 | C2 | sing | 1.38Å | 1.35Å | |
| C2 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C62 | C63 | sing | 1.53Å | 1.51Å | |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | O6 | sing | 1.35Å | 1.36Å | |
| C6 | C5 | doub | 1.40Å | 1.46Å | Aromatic |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.41Å | 1.45Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.31Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.33Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.45Å | |
| N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
| C1' | O4' | sing | 1.44Å | 1.40Å | |
| N7 | C8 | doub | 1.30Å | 1.34Å | Aromatic |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.50Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| O5' | P | sing | 1.61Å | 1.58Å | |
| OP1 | P | doub | 1.48Å | 1.50Å | |
| P | OP2 | sing | 1.61Å | 1.50Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C1' | H2 | sing | 1.09Å | 1.10Å | |
| C2' | H3 | sing | 1.09Å | 1.10Å | |
| C3' | H4 | sing | 1.09Å | 1.10Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| O2' | H10 | sing | 0.97Å | 0.95Å | |
| O3' | H11 | sing | 0.97Å | 0.95Å | |
| OP2 | H13 | sing | 0.97Å | 0.95Å | |
| C61 | H14 | sing | 1.09Å | 1.10Å | |
| C61 | H15 | sing | 1.09Å | 1.10Å | |
| C62 | H16 | sing | 1.09Å | 1.10Å | |
| C62 | H17 | sing | 1.09Å | 1.10Å | |
| C63 | H18 | sing | 1.09Å | 1.10Å | |
| C63 | H19 | sing | 1.09Å | 1.10Å | |
| C63 | H20 | sing | 1.09Å | 1.10Å | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| OP3 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2' | C2' | C1' | 111.1° | 110.5° |
| O2' | C2' | C3' | 114.6° | 110.5° |
| O2' | C2' | H3 | 110.6° | 110.6° |
| C2' | O2' | H10 | 109.5° | 114.0° |
| C62 | C61 | O6 | 108.5° | 109.5° |
| C61 | C62 | C63 | 109.6° | 109.5° |
| C62 | C61 | H14 | 109.7° | 109.5° |
| C62 | C61 | H15 | 109.7° | 109.5° |
| C61 | C62 | H16 | 109.4° | 109.5° |
| C61 | C62 | H17 | 109.4° | 109.5° |
| C61 | O6 | C6 | 120.7° | 117.1° |
| O6 | C61 | H14 | 109.7° | 109.4° |
| O6 | C61 | H15 | 109.7° | 109.5° |
| N2 | C2 | N1 | 118.9° | 118.9° |
| N2 | C2 | N3 | 118.4° | 118.8° |
| C2 | N2 | H8 | 109.5° | 120.0° |
| C2 | N2 | H9 | 109.5° | 120.0° |
| N1 | C2 | N3 | 122.6° | 122.2° |
| C2 | N1 | C6 | 122.5° | 121.2° |
| C2 | N3 | C4 | 120.0° | 120.5° |
| N1 | C6 | O6 | 122.1° | 120.7° |
| N1 | C6 | C5 | 117.5° | 118.6° |
| C63 | C62 | H16 | 109.4° | 109.5° |
| C63 | C62 | H17 | 109.4° | 109.4° |
| C62 | C63 | H18 | 109.5° | 109.5° |
| C62 | C63 | H19 | 109.4° | 109.4° |
| C62 | C63 | H20 | 109.5° | 109.5° |
| N3 | C4 | C5 | 120.5° | 119.2° |
| N3 | C4 | N9 | 133.7° | 134.9° |
| O6 | C6 | C5 | 120.3° | 120.7° |
| C6 | C5 | C4 | 116.7° | 118.3° |
| C6 | C5 | N7 | 135.9° | 134.5° |
| C1' | C2' | C3' | 102.0° | 104.1° |
| C2' | C1' | N9 | 111.5° | 110.4° |
| C2' | C1' | O4' | 106.1° | 104.8° |
| C2' | C1' | H2 | 109.2° | 110.4° |
| C1' | C2' | H3 | 109.1° | 110.5° |
| C2' | C3' | O3' | 109.1° | 110.6° |
| C2' | C3' | C4' | 103.5° | 104.1° |
| C3' | C2' | H3 | 109.0° | 110.5° |
| C2' | C3' | H4 | 110.8° | 110.5° |
| O3' | C3' | C4' | 110.1° | 110.5° |
| O3' | C3' | H4 | 112.3° | 110.5° |
| C3' | O3' | H11 | 109.5° | 114.0° |
| C5 | C4 | N9 | 105.7° | 106.0° |
| C4 | C5 | N7 | 107.4° | 107.1° |
| C4 | N9 | C1' | 125.2° | 126.2° |
| C4 | N9 | C8 | 109.3° | 107.5° |
| C5 | N7 | C8 | 106.6° | 109.5° |
| C1' | N9 | C8 | 125.3° | 126.3° |
| N9 | C1' | O4' | 109.1° | 110.3° |
| N9 | C1' | H2 | 110.0° | 110.4° |
| N9 | C8 | N7 | 111.0° | 110.0° |
| N9 | C8 | H1 | 124.5° | 125.0° |
| C1' | O4' | C4' | 109.7° | 105.2° |
| O4' | C1' | H2 | 110.8° | 110.4° |
| N7 | C8 | H1 | 124.5° | 125.0° |
| C3' | C4' | O4' | 106.5° | 104.8° |
| C3' | C4' | C5' | 114.6° | 110.4° |
| C4' | C3' | H4 | 110.7° | 110.5° |
| C3' | C4' | H5 | 108.6° | 110.3° |
| O4' | C4' | C5' | 108.4° | 110.3° |
| O4' | C4' | H5 | 109.7° | 110.5° |
| C4' | C5' | O5' | 111.2° | 109.5° |
| C5' | C4' | H5 | 108.9° | 110.3° |
| C4' | C5' | H6 | 109.0° | 109.4° |
| C4' | C5' | H7 | 109.0° | 109.4° |
| C5' | O5' | P | 120.7° | 123.0° |
| O5' | C5' | H6 | 109.0° | 109.5° |
| O5' | C5' | H7 | 109.0° | 109.5° |
| O5' | P | OP1 | 108.6° | 109.5° |
| O5' | P | OP2 | 106.1° | 109.5° |
| O5' | P | OP3 | 103.7° | 109.5° |
| OP1 | P | OP2 | 121.0° | 109.5° |
| OP1 | P | OP3 | 109.4° | 109.5° |
| P | OP2 | H13 | 109.5° | 114.0° |
| OP2 | P | OP3 | 106.7° | 109.5° |
| H6 | C5' | H7 | 109.5° | 109.5° |
| H8 | N2 | H9 | 109.5° | 120.0° |
| H14 | C61 | H15 | 109.5° | 109.5° |
| H16 | C62 | H17 | 109.5° | 109.5° |
| H18 | C63 | H19 | 109.5° | 109.4° |
| H18 | C63 | H20 | 109.4° | 109.5° |
| H19 | C63 | H20 | 109.4° | 109.5° |
| P | OP3 | H12 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2' | C2' | C1' | C3' | 122.6° | 118.6° |
| O2' | C2' | C1' | H3 | 122.2° | 122.7° |
| O2' | C2' | C3' | H3 | 124.6° | 122.7° |
| O2' | C2' | C3' | O3' | 33.8° | 0.1° |
| O2' | C2' | C1' | N9 | 83.6° | 98.5° |
| O2' | C2' | C1' | O4' | 157.7° | 142.6° |
| O2' | C2' | C3' | C4' | 151.0° | 118.6° |
| O2' | C2' | C1' | H2 | 38.2° | 23.8° |
| O2' | C2' | C3' | H4 | 90.3° | 122.7° |
| C62 | C61 | O6 | H14 | 119.8° | 120.0° |
| C62 | C61 | O6 | H15 | 119.9° | 120.1° |
| C61 | C62 | C63 | H16 | 120.0° | 120.1° |
| C61 | C62 | C63 | H17 | 120.0° | 120.0° |
| C62 | C61 | O6 | C6 | 159.9° | 180.0° |
| C62 | C61 | H14 | H15 | 120.4° | 120.1° |
| C61 | C62 | H16 | H17 | 119.9° | 120.0° |
| C61 | C62 | C63 | H18 | 180.0° | 59.9° |
| C61 | C62 | C63 | H19 | 60.0° | 60.0° |
| C61 | C62 | C63 | H20 | 60.0° | 180.0° |
| C61 | O6 | C6 | N1 | 115.0° | 0.0° |
| O6 | C61 | C62 | C63 | 69.6° | 179.9° |
| C61 | O6 | C6 | C5 | 65.3° | 179.9° |
| O6 | C61 | H14 | H15 | 120.5° | 120.0° |
| O6 | C61 | C62 | H16 | 170.4° | 60.0° |
| O6 | C61 | C62 | H17 | 50.4° | 60.0° |
| N2 | C2 | N1 | N3 | 176.0° | 179.7° |
| N2 | C2 | N1 | C6 | 179.5° | 179.7° |
| N2 | C2 | N3 | C4 | 178.9° | 179.7° |
| C2 | N2 | H8 | H9 | 120.0° | 179.9° |
| N1 | C2 | N3 | C4 | 3.0° | 0.0° |
| C2 | N1 | C6 | O6 | 177.7° | 180.0° |
| C2 | N1 | C6 | C5 | 2.0° | 0.1° |
| N1 | C2 | N2 | H8 | 0.0° | 0.1° |
| N1 | C2 | N2 | H9 | 120.0° | 180.0° |
| N3 | C2 | N1 | C6 | 3.6° | 0.0° |
| C2 | N3 | C4 | C5 | 1.0° | 0.0° |
| C2 | N3 | C4 | N9 | 178.1° | 180.0° |
| N3 | C2 | N2 | H8 | 176.1° | 179.7° |
| N3 | C2 | N2 | H9 | 56.1° | 0.2° |
| N1 | C6 | O6 | C5 | 179.7° | 179.9° |
| N1 | C6 | C5 | C4 | 0.1° | 0.1° |
| N1 | C6 | C5 | N7 | 179.6° | 180.0° |
| C63 | C62 | C61 | H14 | 170.6° | 60.0° |
| C63 | C62 | C61 | H15 | 50.3° | 60.0° |
| C63 | C62 | H16 | H17 | 119.9° | 119.9° |
| C62 | C63 | H18 | H19 | 120.0° | 119.9° |
| C62 | C63 | H18 | H20 | 120.0° | 120.0° |
| C62 | C63 | H19 | H20 | 120.0° | 120.0° |
| N3 | C4 | C5 | C6 | 0.3° | 0.1° |
| N3 | C4 | C5 | N9 | 179.3° | 180.0° |
| N3 | C4 | C5 | N7 | 179.8° | 180.0° |
| N3 | C4 | N9 | C1' | 3.4° | 0.0° |
| N3 | C4 | N9 | C8 | 179.6° | 180.0° |
| O6 | C6 | C5 | C4 | 179.6° | 180.0° |
| O6 | C6 | C5 | N7 | 0.6° | 0.0° |
| C6 | O6 | C61 | H14 | 80.3° | 60.0° |
| C6 | O6 | C61 | H15 | 40.0° | 59.9° |
| C6 | C5 | C4 | N7 | 179.8° | 180.0° |
| C6 | C5 | C4 | N9 | 179.7° | 180.0° |
| C6 | C5 | N7 | C8 | 179.4° | 180.0° |
| C1' | C2' | C3' | H3 | 115.3° | 118.7° |
| C1' | C2' | C3' | O3' | 86.4° | 118.6° |
| C2' | C1' | N9 | C4 | 133.9° | 88.1° |
| C2' | C1' | N9 | O4' | 116.9° | 115.4° |
| C2' | C1' | N9 | H2 | 121.4° | 122.4° |
| C2' | C1' | N9 | C8 | 41.7° | 91.9° |
| C2' | C1' | O4' | H2 | 118.4° | 118.9° |
| C1' | C2' | C3' | C4' | 30.9° | 0.1° |
| C2' | C1' | O4' | C4' | 25.4° | 40.5° |
| C1' | C2' | C3' | H4 | 149.5° | 118.7° |
| C1' | C2' | O2' | H10 | 180.0° | 180.0° |
| C2' | C3' | O3' | C4' | 113.0° | 114.7° |
| C2' | C3' | O3' | H4 | 123.2° | 122.6° |
| C3' | C2' | C1' | N9 | 153.8° | 142.9° |
| C3' | C2' | C1' | O4' | 35.1° | 24.0° |
| C2' | C3' | C4' | H4 | 118.7° | 118.6° |
| C2' | C3' | C4' | O4' | 17.1° | 24.0° |
| C2' | C3' | C4' | C5' | 102.8° | 142.8° |
| C3' | C2' | C1' | H2 | 84.3° | 94.8° |
| C2' | C3' | C4' | H5 | 135.2° | 95.0° |
| C3' | C2' | O2' | H10 | 65.1° | 65.4° |
| C2' | C3' | O3' | H11 | 180.0° | 61.4° |
| O3' | C3' | C4' | H4 | 124.7° | 122.7° |
| O3' | C3' | C4' | O4' | 99.5° | 142.7° |
| O3' | C3' | C4' | C5' | 140.7° | 98.5° |
| O3' | C3' | C2' | H3 | 158.3° | 122.7° |
| O3' | C3' | C4' | H5 | 18.6° | 23.7° |
| C5 | C4 | N9 | C1' | 177.4° | 180.0° |
| C5 | C4 | N9 | C8 | 1.2° | 0.0° |
| C4 | C5 | N7 | C8 | 0.4° | 0.0° |
| N9 | C4 | C5 | N7 | 0.5° | 0.0° |
| C4 | N9 | C1' | C8 | 175.6° | 179.9° |
| C4 | N9 | C1' | O4' | 109.2° | 156.5° |
| C4 | N9 | C8 | N7 | 1.6° | 0.0° |
| C4 | N9 | C8 | H1 | 178.4° | 180.0° |
| C4 | N9 | C1' | H2 | 12.6° | 34.2° |
| C5 | N7 | C8 | N9 | 1.2° | 0.0° |
| C5 | N7 | C8 | H1 | 178.8° | 180.0° |
| N9 | C1' | O4' | H2 | 121.3° | 122.2° |
| C1' | N9 | C8 | N7 | 177.8° | 180.0° |
| N9 | C1' | O4' | C4' | 145.7° | 159.4° |
| C1' | N9 | C8 | H1 | 2.2° | 0.1° |
| N9 | C1' | C2' | H3 | 38.6° | 24.2° |
| C8 | N9 | C1' | O4' | 75.2° | 23.5° |
| N9 | C8 | N7 | H1 | 180.0° | 180.0° |
| C8 | N9 | C1' | H2 | 163.1° | 145.7° |
| C1' | O4' | C4' | C3' | 5.0° | 40.5° |
| C1' | O4' | C4' | C5' | 128.9° | 159.4° |
| O4' | C1' | C2' | H3 | 80.1° | 94.6° |
| C1' | O4' | C4' | H5 | 112.3° | 78.3° |
| C3' | C4' | O4' | C5' | 123.8° | 118.8° |
| C3' | C4' | O4' | H5 | 117.3° | 118.9° |
| C3' | C4' | C5' | H5 | 121.9° | 122.2° |
| C3' | C4' | C5' | O5' | 63.2° | 175.0° |
| C4' | C3' | C2' | H3 | 84.4° | 118.6° |
| C3' | C4' | C5' | H6 | 176.5° | 55.0° |
| C3' | C4' | C5' | H7 | 57.1° | 65.0° |
| C4' | C3' | O3' | H11 | 67.0° | 176.1° |
| O4' | C4' | C5' | H5 | 119.4° | 122.4° |
| O4' | C4' | C5' | O5' | 55.6° | 69.6° |
| C4' | O4' | C1' | H2 | 93.0° | 78.3° |
| O4' | C4' | C3' | H4 | 135.8° | 94.6° |
| O4' | C4' | C5' | H6 | 64.7° | 170.4° |
| O4' | C4' | C5' | H7 | 175.8° | 50.4° |
| C4' | C5' | O5' | H6 | 120.3° | 119.9° |
| C4' | C5' | O5' | H7 | 120.2° | 120.0° |
| C4' | C5' | O5' | P | 146.3° | 180.0° |
| C5' | C4' | C3' | H4 | 15.9° | 24.2° |
| C4' | C5' | H6 | H7 | 119.2° | 120.0° |
| C5' | O5' | P | OP1 | 164.0° | 55.0° |
| C5' | O5' | P | OP2 | 64.5° | 65.0° |
| O5' | C5' | C4' | H5 | 175.0° | 52.7° |
| O5' | C5' | H6 | H7 | 119.2° | 120.1° |
| C5' | O5' | P | OP3 | 47.7° | 175.0° |
| O5' | P | OP1 | OP2 | 122.9° | 120.0° |
| O5' | P | OP1 | OP3 | 112.5° | 120.0° |
| O5' | P | OP2 | OP3 | 110.1° | 120.0° |
| P | O5' | C5' | H6 | 26.0° | 60.1° |
| P | O5' | C5' | H7 | 93.5° | 60.0° |
| O5' | P | OP2 | H13 | 124.1° | 60.0° |
| O5' | P | OP3 | H12 | 115.7° | 179.9° |
| OP1 | P | OP2 | OP3 | 125.8° | 120.1° |
| OP1 | P | OP2 | H13 | 0.0° | 180.0° |
| OP1 | P | OP3 | H12 | 0.0° | 60.0° |
| OP2 | P | OP3 | H12 | 132.5° | 60.0° |
| H2 | C1' | C2' | H3 | 160.4° | 146.5° |
| H3 | C2' | C3' | H4 | 34.2° | 0.0° |
| H3 | C2' | O2' | H10 | 58.7° | 57.3° |
| H4 | C3' | C4' | H5 | 106.1° | 146.4° |
| H4 | C3' | O3' | H11 | 56.8° | 61.3° |
| H5 | C4' | C5' | H6 | 54.7° | 67.2° |
| H5 | C4' | C5' | H7 | 64.8° | 172.8° |
| H13 | OP2 | P | OP3 | 125.8° | 60.0° |
| H14 | C61 | C62 | H16 | 50.5° | 180.0° |
| H14 | C61 | C62 | H17 | 69.4° | 59.9° |
| H15 | C61 | C62 | H16 | 69.8° | 60.0° |
| H15 | C61 | C62 | H17 | 170.3° | 180.0° |
| H16 | C62 | C63 | H18 | 60.0° | 180.0° |
| H16 | C62 | C63 | H19 | 180.0° | 60.1° |
| H16 | C62 | C63 | H20 | 60.0° | 59.9° |
| H17 | C62 | C63 | H18 | 60.0° | 60.0° |
| H17 | C62 | C63 | H19 | 60.0° | 179.9° |
| H17 | C62 | C63 | H20 | 180.0° | 60.0° |
| H18 | C63 | H19 | H20 | 120.0° | 120.0° |
