8BA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | C8 | sing | 1.89Å | 1.96Å | |
| C4' | O4' | sing | 1.44Å | 1.40Å | |
| C4' | C5' | sing | 1.53Å | 1.50Å | |
| C4' | C3' | sing | 1.55Å | 1.50Å | |
| O4' | C1' | sing | 1.44Å | 1.40Å | |
| C5' | O5' | sing | 1.43Å | 1.41Å | |
| C1' | C2' | sing | 1.54Å | 1.51Å | |
| C1' | N9 | sing | 1.46Å | 1.46Å | |
| O3' | C3' | sing | 1.43Å | 1.41Å | |
| OP2 | P | doub | 1.48Å | 1.44Å | |
| C3' | C2' | sing | 1.55Å | 1.49Å | |
| C8 | N9 | sing | 1.36Å | 1.30Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.30Å | Aromatic |
| O5' | P | sing | 1.61Å | 1.55Å | |
| P | OP1 | doub | 1.48Å | 1.42Å | |
| N7 | C5 | sing | 1.36Å | 1.30Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.45Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.32Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.44Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.22Å | |
| C6 | N1 | doub | 1.33Å | 1.31Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.33Å | Aromatic |
| P | O1 | sing | 1.61Å | 1.56Å | |
| C5' | H1 | sing | 1.09Å | 1.10Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C1' | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| N6 | H11 | sing | 0.97Å | 1.00Å | |
| N6 | H12 | sing | 0.97Å | 1.00Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | C8 | N9 | 123.0° | 125.0° |
| BR | C8 | N7 | 118.4° | 125.0° |
| O4' | C4' | C5' | 111.2° | 110.6° |
| O4' | C4' | C3' | 105.4° | 103.5° |
| C4' | O4' | C1' | 108.6° | 107.0° |
| O4' | C4' | H3 | 109.1° | 110.6° |
| C5' | C4' | C3' | 115.3° | 110.6° |
| C4' | C5' | O5' | 114.9° | 109.4° |
| C4' | C5' | H1 | 108.1° | 109.4° |
| C4' | C5' | H2 | 108.1° | 109.5° |
| C5' | C4' | H3 | 107.8° | 110.6° |
| C4' | C3' | O3' | 111.9° | 110.9° |
| C4' | C3' | C2' | 103.2° | 102.1° |
| C3' | C4' | H3 | 107.9° | 110.7° |
| C4' | C3' | H4 | 110.2° | 110.9° |
| O4' | C1' | C2' | 106.8° | 107.3° |
| O4' | C1' | N9 | 110.4° | 109.8° |
| O4' | C1' | H8 | 110.7° | 109.9° |
| C5' | O5' | P | 117.1° | 123.0° |
| O5' | C5' | H1 | 108.1° | 109.5° |
| O5' | C5' | H2 | 108.1° | 109.5° |
| C2' | C1' | N9 | 109.9° | 109.9° |
| C1' | C2' | C3' | 105.1° | 104.2° |
| C1' | C2' | H6 | 110.5° | 110.5° |
| C1' | C2' | H7 | 110.5° | 110.6° |
| C2' | C1' | H8 | 109.1° | 109.9° |
| C1' | N9 | C8 | 127.4° | 126.3° |
| C1' | N9 | C4 | 128.5° | 126.3° |
| N9 | C1' | H8 | 109.8° | 109.9° |
| O3' | C3' | C2' | 109.5° | 110.9° |
| O3' | C3' | H4 | 111.5° | 110.8° |
| C3' | O3' | H5 | 109.5° | 114.1° |
| OP2 | P | O5' | 104.2° | 109.5° |
| OP2 | P | OP1 | 122.2° | 109.5° |
| OP2 | P | O1 | 107.4° | 109.5° |
| C2' | C3' | H4 | 110.3° | 110.9° |
| C3' | C2' | H6 | 110.6° | 110.5° |
| C3' | C2' | H7 | 110.6° | 110.5° |
| N9 | C8 | N7 | 118.6° | 110.0° |
| C8 | N9 | C4 | 104.1° | 107.4° |
| C8 | N7 | C5 | 102.2° | 109.4° |
| N9 | C4 | C5 | 105.8° | 106.0° |
| N9 | C4 | N3 | 135.3° | 134.9° |
| O5' | P | OP1 | 108.7° | 109.5° |
| O5' | P | O1 | 103.6° | 109.4° |
| OP1 | P | O1 | 109.2° | 109.4° |
| N7 | C5 | C4 | 109.4° | 107.2° |
| N7 | C5 | C6 | 132.5° | 134.7° |
| C5 | C4 | N3 | 118.9° | 119.1° |
| C4 | C5 | C6 | 118.1° | 118.2° |
| C4 | N3 | C2 | 119.4° | 120.7° |
| C5 | C6 | N6 | 118.8° | 120.8° |
| C5 | C6 | N1 | 117.7° | 118.5° |
| N3 | C2 | N1 | 124.5° | 122.4° |
| N3 | C2 | H9 | 117.8° | 118.8° |
| N6 | C6 | N1 | 123.6° | 120.8° |
| C6 | N6 | H11 | 109.5° | 120.0° |
| C6 | N6 | H12 | 109.5° | 120.0° |
| C6 | N1 | C2 | 121.4° | 121.2° |
| N1 | C2 | H9 | 117.8° | 118.8° |
| P | O1 | H13 | 109.5° | 114.0° |
| H1 | C5' | H2 | 109.4° | 109.5° |
| H6 | C2' | H7 | 109.5° | 110.5° |
| H11 | N6 | H12 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C8 | N9 | C1' | 1.1° | 0.0° |
| BR | C8 | N9 | N7 | 178.2° | 180.0° |
| BR | C8 | N9 | C4 | 178.6° | 179.7° |
| BR | C8 | N7 | C5 | 178.8° | 180.0° |
| O4' | C4' | C5' | C3' | 119.8° | 114.1° |
| O4' | C4' | C5' | H3 | 119.6° | 122.9° |
| O4' | C4' | C3' | H3 | 116.5° | 118.5° |
| O4' | C4' | C5' | O5' | 75.1° | 66.5° |
| C4' | O4' | C1' | C2' | 20.6° | 26.5° |
| C4' | O4' | C1' | N9 | 140.1° | 146.0° |
| O4' | C4' | C3' | O3' | 149.0° | 155.2° |
| O4' | C4' | C3' | C2' | 31.5° | 37.0° |
| O4' | C4' | C5' | H1 | 45.7° | 53.5° |
| O4' | C4' | C5' | H2 | 164.1° | 173.5° |
| O4' | C4' | C3' | H4 | 86.3° | 81.2° |
| C4' | O4' | C1' | H8 | 98.1° | 93.0° |
| C5' | C4' | C3' | H3 | 120.5° | 123.0° |
| C5' | C4' | O4' | C1' | 158.6° | 158.5° |
| C4' | C5' | O5' | H1 | 120.8° | 119.9° |
| C4' | C5' | O5' | H2 | 120.8° | 120.0° |
| C5' | C4' | C3' | O3' | 88.0° | 86.2° |
| C5' | C4' | C3' | C2' | 154.5° | 155.5° |
| C4' | C5' | O5' | P | 168.5° | 180.0° |
| C4' | C5' | H1 | H2 | 117.5° | 120.0° |
| C5' | C4' | C3' | H4 | 36.7° | 37.3° |
| C3' | C4' | O4' | C1' | 33.0° | 40.0° |
| C3' | C4' | C5' | O5' | 44.8° | 179.5° |
| C4' | C3' | C2' | C1' | 18.7° | 20.9° |
| C4' | C3' | O3' | C2' | 113.7° | 112.8° |
| C4' | C3' | O3' | H4 | 123.9° | 123.6° |
| C4' | C3' | C2' | H4 | 117.7° | 118.2° |
| C3' | C4' | C5' | H1 | 165.6° | 60.5° |
| C3' | C4' | C5' | H2 | 76.1° | 59.5° |
| C4' | C3' | O3' | H5 | 180.0° | 180.0° |
| C4' | C3' | C2' | H6 | 100.6° | 139.5° |
| C4' | C3' | C2' | H7 | 138.0° | 97.9° |
| O4' | C1' | C2' | N9 | 119.8° | 119.4° |
| O4' | C1' | C2' | H8 | 119.7° | 119.4° |
| O4' | C1' | N9 | H8 | 122.3° | 121.0° |
| O4' | C1' | C2' | C3' | 0.0° | 2.0° |
| O4' | C1' | N9 | C8 | 99.8° | 43.9° |
| O4' | C1' | N9 | C4 | 80.6° | 136.4° |
| C1' | O4' | C4' | H3 | 82.6° | 78.6° |
| O4' | C1' | C2' | H6 | 119.3° | 116.6° |
| O4' | C1' | C2' | H7 | 119.3° | 120.7° |
| C5' | O5' | P | OP2 | 36.8° | 45.0° |
| C5' | O5' | P | OP1 | 168.6° | 75.1° |
| C5' | O5' | P | O1 | 75.4° | 165.0° |
| O5' | C5' | H1 | H2 | 117.5° | 120.0° |
| O5' | C5' | C4' | H3 | 165.3° | 56.4° |
| C2' | C1' | N9 | H8 | 120.0° | 121.1° |
| C1' | C2' | C3' | O3' | 138.0° | 139.1° |
| C1' | C2' | C3' | H6 | 119.3° | 118.7° |
| C1' | C2' | C3' | H7 | 119.3° | 118.8° |
| C2' | C1' | N9 | C8 | 142.6° | 73.9° |
| C2' | C1' | N9 | C4 | 37.0° | 105.7° |
| C1' | C2' | C3' | H4 | 98.9° | 97.3° |
| C1' | C2' | H6 | H7 | 122.0° | 122.7° |
| N9 | C1' | C2' | C3' | 119.8° | 121.5° |
| C1' | N9 | C8 | C4 | 179.7° | 179.7° |
| C1' | N9 | C8 | N7 | 179.3° | 180.0° |
| C1' | N9 | C4 | C5 | 179.6° | 179.9° |
| C1' | N9 | C4 | N3 | 1.8° | 0.8° |
| N9 | C1' | C2' | H6 | 120.9° | 2.8° |
| N9 | C1' | C2' | H7 | 0.5° | 119.8° |
| O3' | C3' | C2' | H4 | 123.1° | 123.6° |
| O3' | C3' | C4' | H3 | 32.6° | 36.7° |
| O3' | C3' | C2' | H6 | 18.7° | 102.2° |
| O3' | C3' | C2' | H7 | 102.7° | 20.3° |
| OP2 | P | O5' | OP1 | 131.7° | 120.1° |
| OP2 | P | O5' | O1 | 112.3° | 120.0° |
| OP2 | P | OP1 | O1 | 126.4° | 120.0° |
| OP2 | P | O1 | H13 | 0.0° | 60.0° |
| C2' | C3' | C4' | H3 | 85.0° | 81.5° |
| C2' | C3' | O3' | H5 | 66.3° | 67.2° |
| C3' | C2' | H6 | H7 | 122.0° | 122.6° |
| C3' | C2' | C1' | H8 | 119.7° | 117.4° |
| N9 | C8 | N7 | C5 | 0.6° | 0.0° |
| C8 | N9 | C4 | C5 | 0.1° | 0.4° |
| C8 | N9 | C4 | N3 | 178.5° | 179.5° |
| C8 | N9 | C1' | H8 | 22.5° | 164.9° |
| N7 | C8 | N9 | C4 | 0.4° | 0.3° |
| C8 | N7 | C5 | C4 | 0.4° | 0.3° |
| C8 | N7 | C5 | C6 | 179.4° | 180.0° |
| N9 | C4 | C5 | N7 | 0.2° | 0.4° |
| N9 | C4 | C5 | N3 | 178.9° | 179.2° |
| N9 | C4 | C5 | C6 | 179.7° | 179.8° |
| N9 | C4 | N3 | C2 | 178.7° | 179.5° |
| C4 | N9 | C1' | H8 | 157.1° | 15.4° |
| O5' | P | OP1 | O1 | 112.4° | 120.0° |
| P | O5' | C5' | H1 | 47.7° | 60.0° |
| P | O5' | C5' | H2 | 70.7° | 60.0° |
| O5' | P | O1 | H13 | 109.9° | 180.0° |
| OP1 | P | O1 | H13 | 134.4° | 60.0° |
| N7 | C5 | C4 | C6 | 179.9° | 179.8° |
| N7 | C5 | C4 | N3 | 179.1° | 179.7° |
| N7 | C5 | C6 | N6 | 0.3° | 0.0° |
| N7 | C5 | C6 | N1 | 179.0° | 179.9° |
| C5 | C4 | N3 | C2 | 0.2° | 0.6° |
| C4 | C5 | C6 | N6 | 179.9° | 179.7° |
| C4 | C5 | C6 | N1 | 0.9° | 0.2° |
| N3 | C4 | C5 | C6 | 0.8° | 0.5° |
| C4 | N3 | C2 | N1 | 0.4° | 0.3° |
| C4 | N3 | C2 | H9 | 179.6° | 179.7° |
| C5 | C6 | N6 | N1 | 179.2° | 179.9° |
| C5 | C6 | N1 | C2 | 0.4° | 0.1° |
| C5 | C6 | N6 | H11 | 179.2° | 0.0° |
| C5 | C6 | N6 | H12 | 60.8° | 179.9° |
| N3 | C2 | N1 | C6 | 0.3° | 0.1° |
| N3 | C2 | N1 | H9 | 180.0° | 180.0° |
| N6 | C6 | N1 | C2 | 179.6° | 180.0° |
| C6 | N6 | H11 | H12 | 120.0° | 180.0° |
| C6 | N1 | C2 | H9 | 179.7° | 180.0° |
| N1 | C6 | N6 | H11 | 0.0° | 180.0° |
| N1 | C6 | N6 | H12 | 120.0° | 0.0° |
| H1 | C5' | C4' | H3 | 73.9° | 176.4° |
| H2 | C5' | C4' | H3 | 44.5° | 63.6° |
| H3 | C4' | C3' | H4 | 157.2° | 160.3° |
| H4 | C3' | O3' | H5 | 56.1° | 56.4° |
| H4 | C3' | C2' | H6 | 141.8° | 21.3° |
| H4 | C3' | C2' | H7 | 20.4° | 143.9° |
| H6 | C2' | C1' | H8 | 0.4° | 123.9° |
| H7 | C2' | C1' | H8 | 120.9° | 1.3° |
