B8Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP1 | P | doub | 1.48Å | 1.50Å | |
| N4 | C4 | sing | 1.47Å | 1.35Å | |
| P | OP2 | sing | 1.61Å | 1.50Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| C5 | C4 | sing | 1.51Å | 1.38Å | |
| C5 | C6 | doub | 1.32Å | 1.38Å | |
| C4 | N3 | sing | 1.47Å | 1.40Å | |
| C6 | N1 | sing | 1.39Å | 1.33Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| N3 | C31 | sing | 1.47Å | 1.46Å | |
| N3 | C2 | sing | 1.35Å | 1.40Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| N1 | C2 | sing | 1.34Å | 1.41Å | |
| N1 | C1' | sing | 1.46Å | 1.48Å | |
| C2 | O2 | doub | 1.22Å | 1.25Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C5 | 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 | |
| C4' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| N4 | H13 | sing | 1.01Å | 1.00Å | |
| N4 | H14 | sing | 1.01Å | 1.00Å | |
| O2' | H16 | sing | 0.97Å | 0.95Å | |
| O3' | H17 | sing | 0.97Å | 0.95Å | |
| OP2 | H19 | 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) |
| OP1 | P | OP2 | 120.4° | 109.5° |
| OP1 | P | O5' | 106.7° | 109.5° |
| OP1 | P | OP3 | 107.7° | 109.4° |
| N4 | C4 | C5 | 120.3° | 107.9° |
| N4 | C4 | N3 | 120.3° | 107.4° |
| N4 | C4 | H5 | 90.1° | 107.7° |
| C4 | N4 | H13 | 109.5° | 111.0° |
| C4 | N4 | H14 | 109.4° | 111.0° |
| OP2 | P | O5' | 108.5° | 109.5° |
| P | OP2 | H19 | 109.5° | 114.1° |
| OP2 | P | OP3 | 108.4° | 109.5° |
| P | O5' | C5' | 121.2° | 123.0° |
| O5' | P | OP3 | 103.9° | 109.5° |
| C4 | C5 | C6 | 120.5° | 118.1° |
| C5 | C4 | N3 | 119.3° | 117.2° |
| C4 | C5 | H1 | 119.7° | 120.9° |
| C5 | C4 | H5 | 90.1° | 107.9° |
| C5 | C6 | N1 | 121.5° | 121.3° |
| C6 | C5 | H1 | 119.7° | 121.0° |
| C5 | C6 | H9 | 119.2° | 119.3° |
| C4 | N3 | C31 | 120.7° | 120.8° |
| C4 | N3 | C2 | 119.0° | 118.3° |
| N3 | C4 | H5 | 90.1° | 108.4° |
| C6 | N1 | C2 | 119.5° | 123.3° |
| C6 | N1 | C1' | 121.6° | 118.3° |
| N1 | C6 | H9 | 119.2° | 119.4° |
| C1' | O4' | C4' | 109.3° | 107.0° |
| O4' | C1' | N1 | 109.7° | 110.6° |
| O4' | C1' | C2' | 107.3° | 103.4° |
| O4' | C1' | H2 | 109.9° | 110.8° |
| O4' | C4' | C5' | 110.2° | 110.0° |
| O4' | C4' | C3' | 102.6° | 107.3° |
| O4' | C4' | H6 | 109.9° | 110.0° |
| C31 | N3 | C2 | 120.3° | 120.8° |
| N3 | C31 | H10 | 109.5° | 109.4° |
| N3 | C31 | H11 | 109.5° | 109.4° |
| N3 | C31 | H12 | 109.5° | 109.5° |
| N3 | C2 | N1 | 120.1° | 121.8° |
| N3 | C2 | O2 | 118.9° | 119.1° |
| O5' | C5' | C4' | 110.6° | 109.5° |
| O5' | C5' | H7 | 109.2° | 109.5° |
| O5' | C5' | H8 | 109.2° | 109.5° |
| C5' | C4' | C3' | 115.9° | 109.9° |
| C5' | C4' | H6 | 109.1° | 109.8° |
| C4' | C5' | H7 | 109.2° | 109.5° |
| C4' | C5' | H8 | 109.2° | 109.5° |
| C2 | N1 | C1' | 118.9° | 118.3° |
| N1 | C2 | O2 | 121.1° | 119.1° |
| N1 | C1' | C2' | 112.5° | 110.6° |
| N1 | C1' | H2 | 109.0° | 110.6° |
| C1' | C2' | C3' | 100.8° | 102.1° |
| C1' | C2' | O2' | 107.6° | 110.9° |
| C2' | C1' | H2 | 108.4° | 110.6° |
| C1' | C2' | H3 | 111.7° | 110.9° |
| C4' | C3' | C2' | 101.5° | 104.2° |
| C4' | C3' | O3' | 114.0° | 110.5° |
| C4' | C3' | H4 | 108.2° | 110.6° |
| C3' | C4' | H6 | 109.0° | 109.8° |
| C2' | C3' | O3' | 114.8° | 110.5° |
| C3' | C2' | O2' | 110.7° | 110.9° |
| C3' | C2' | H3 | 111.8° | 110.9° |
| C2' | C3' | H4 | 108.2° | 110.5° |
| O3' | C3' | H4 | 109.6° | 110.5° |
| C3' | O3' | H17 | 109.5° | 114.0° |
| O2' | C2' | H3 | 113.5° | 110.8° |
| C2' | O2' | H16 | 109.5° | 114.1° |
| H7 | C5' | H8 | 109.5° | 109.5° |
| H10 | C31 | H11 | 109.5° | 109.5° |
| H10 | C31 | H12 | 109.4° | 109.5° |
| H11 | C31 | H12 | 109.5° | 109.5° |
| H13 | N4 | H14 | 109.5° | 111.0° |
| P | OP3 | H15 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | O5' | 123.2° | 120.0° |
| OP1 | P | OP2 | OP3 | 124.5° | 119.9° |
| OP1 | P | O5' | OP3 | 113.7° | 119.9° |
| OP1 | P | O5' | C5' | 137.0° | 55.0° |
| OP1 | P | OP2 | H19 | 0.0° | 60.0° |
| OP1 | P | OP3 | H15 | 0.0° | 180.0° |
| N4 | C4 | C5 | N3 | 179.7° | 121.3° |
| N4 | C4 | C5 | H5 | 90.1° | 116.1° |
| N4 | C4 | C5 | C6 | 179.7° | 121.9° |
| N4 | C4 | N3 | H5 | 90.1° | 116.1° |
| N4 | C4 | N3 | C31 | 0.5° | 58.4° |
| N4 | C4 | N3 | C2 | 179.9° | 122.0° |
| N4 | C4 | C5 | H1 | 0.3° | 58.7° |
| C4 | N4 | H13 | H14 | 120.0° | 123.9° |
| OP2 | P | O5' | OP3 | 115.2° | 120.0° |
| OP2 | P | O5' | C5' | 91.8° | 175.0° |
| OP2 | P | OP3 | H15 | 131.8° | 60.0° |
| P | O5' | C5' | C4' | 144.6° | 180.0° |
| P | O5' | C5' | H7 | 95.3° | 60.0° |
| P | O5' | C5' | H8 | 24.4° | 60.0° |
| O5' | P | OP2 | H19 | 123.2° | 180.0° |
| O5' | P | OP3 | H15 | 112.9° | 60.0° |
| C4 | C5 | C6 | H1 | 180.0° | 179.4° |
| C5 | C4 | N3 | H5 | 90.1° | 122.4° |
| C4 | C5 | C6 | N1 | 0.5° | 0.4° |
| C5 | C4 | N3 | C31 | 179.7° | 180.0° |
| C5 | C4 | N3 | C2 | 0.3° | 0.4° |
| C4 | C5 | C6 | H9 | 179.6° | 179.6° |
| C5 | C4 | N4 | H13 | 180.0° | 60.0° |
| C5 | C4 | N4 | H14 | 60.0° | 63.9° |
| C6 | C5 | C4 | N3 | 0.5° | 0.7° |
| C5 | C6 | N1 | H9 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.2° | 0.1° |
| C5 | C6 | N1 | C1' | 179.7° | 179.7° |
| C6 | C5 | C4 | H5 | 89.6° | 121.9° |
| C4 | N3 | C31 | C2 | 179.4° | 179.6° |
| C4 | N3 | C2 | N1 | 0.1° | 0.0° |
| C4 | N3 | C2 | O2 | 179.4° | 180.0° |
| N3 | C4 | C5 | H1 | 179.5° | 180.0° |
| C4 | N3 | C31 | H10 | 180.0° | 90.0° |
| C4 | N3 | C31 | H11 | 60.0° | 150.0° |
| C4 | N3 | C31 | H12 | 60.0° | 30.0° |
| N3 | C4 | N4 | H13 | 0.3° | 172.8° |
| N3 | C4 | N4 | H14 | 120.3° | 63.2° |
| C6 | N1 | C1' | O4' | 19.0° | 49.3° |
| C6 | N1 | C2 | N3 | 0.0° | 0.3° |
| C6 | N1 | C2 | C1' | 179.8° | 179.7° |
| C6 | N1 | C2 | O2 | 179.5° | 179.8° |
| C6 | N1 | C1' | C2' | 100.2° | 64.7° |
| N1 | C6 | C5 | H1 | 179.5° | 179.8° |
| C6 | N1 | C1' | H2 | 139.4° | 172.4° |
| C1' | O4' | C4' | C5' | 151.5° | 146.0° |
| O4' | C1' | N1 | C2 | 161.1° | 131.0° |
| O4' | C1' | N1 | C2' | 119.3° | 114.0° |
| O4' | C1' | N1 | H2 | 120.4° | 123.2° |
| O4' | C1' | C2' | H2 | 118.7° | 118.7° |
| C1' | O4' | C4' | C3' | 27.5° | 26.6° |
| O4' | C1' | C2' | C3' | 23.8° | 37.1° |
| O4' | C1' | C2' | O2' | 92.2° | 155.2° |
| O4' | C1' | C2' | H3 | 142.7° | 81.2° |
| C1' | O4' | C4' | H6 | 88.3° | 92.9° |
| O4' | C4' | C5' | O5' | 83.0° | 67.1° |
| O4' | C4' | C5' | C3' | 115.9° | 117.9° |
| O4' | C4' | C5' | H6 | 120.7° | 121.2° |
| C4' | O4' | C1' | N1 | 124.6° | 158.6° |
| C4' | O4' | C1' | C2' | 2.2° | 40.1° |
| O4' | C4' | C3' | H6 | 116.4° | 119.5° |
| O4' | C4' | C3' | C2' | 41.6° | 2.1° |
| O4' | C4' | C3' | O3' | 165.7° | 120.7° |
| C4' | O4' | C1' | H2 | 115.6° | 78.4° |
| O4' | C4' | C3' | H4 | 72.1° | 116.7° |
| O4' | C4' | C5' | H7 | 156.9° | 172.9° |
| O4' | C4' | C5' | H8 | 37.2° | 52.9° |
| C31 | N3 | C2 | N1 | 179.4° | 179.6° |
| C31 | N3 | C2 | O2 | 0.1° | 0.4° |
| C31 | N3 | C4 | H5 | 89.6° | 57.7° |
| N3 | C31 | H10 | H11 | 120.0° | 119.9° |
| N3 | C31 | H10 | H12 | 120.0° | 120.0° |
| N3 | C31 | H11 | H12 | 120.0° | 120.0° |
| N3 | C2 | N1 | O2 | 179.5° | 179.9° |
| N3 | C2 | N1 | C1' | 179.9° | 180.0° |
| C2 | N3 | C4 | H5 | 89.8° | 122.0° |
| C2 | N3 | C31 | H10 | 0.7° | 90.4° |
| C2 | N3 | C31 | H11 | 119.4° | 29.6° |
| C2 | N3 | C31 | H12 | 120.6° | 149.6° |
| O5' | C5' | C4' | H7 | 120.2° | 120.0° |
| O5' | C5' | C4' | H8 | 120.2° | 120.0° |
| O5' | C5' | C4' | C3' | 33.0° | 175.0° |
| O5' | C5' | C4' | H6 | 156.4° | 54.0° |
| O5' | C5' | H7 | H8 | 119.5° | 120.0° |
| C5' | O5' | P | OP3 | 23.4° | 65.0° |
| C5' | C4' | C3' | H6 | 123.5° | 120.9° |
| C5' | C4' | C3' | C2' | 161.7° | 121.6° |
| C5' | C4' | C3' | O3' | 74.2° | 119.7° |
| C5' | C4' | C3' | H4 | 48.0° | 2.9° |
| C4' | C5' | H7 | H8 | 119.5° | 120.0° |
| C2 | N1 | C1' | C2' | 79.6° | 115.0° |
| C2 | N1 | C1' | H2 | 40.7° | 7.8° |
| C2 | N1 | C6 | H9 | 179.8° | 179.9° |
| C1' | N1 | C2 | O2 | 0.6° | 0.1° |
| N1 | C1' | C2' | H2 | 120.6° | 122.8° |
| N1 | C1' | C2' | C3' | 96.9° | 155.5° |
| N1 | C1' | C2' | O2' | 147.1° | 86.3° |
| N1 | C1' | C2' | H3 | 22.0° | 37.3° |
| C1' | N1 | C6 | H9 | 0.3° | 0.2° |
| C1' | C2' | C3' | C4' | 39.4° | 20.9° |
| C1' | C2' | C3' | O2' | 113.7° | 118.2° |
| C1' | C2' | C3' | H3 | 118.8° | 118.3° |
| C1' | C2' | C3' | O3' | 162.9° | 97.8° |
| C1' | C2' | O2' | H3 | 124.1° | 123.7° |
| C1' | C2' | C3' | H4 | 74.4° | 139.7° |
| C1' | C2' | O2' | H16 | 180.0° | 180.0° |
| C4' | C3' | C2' | O3' | 123.5° | 118.7° |
| C4' | C3' | C2' | H4 | 113.8° | 118.8° |
| C4' | C3' | O3' | H4 | 121.5° | 122.7° |
| C4' | C3' | C2' | O2' | 74.3° | 139.1° |
| C4' | C3' | C2' | H3 | 158.1° | 97.4° |
| C3' | C4' | C5' | H7 | 87.2° | 55.0° |
| C3' | C4' | C5' | H8 | 153.2° | 65.0° |
| C4' | C3' | O3' | H17 | 180.0° | 176.2° |
| C2' | C3' | O3' | H4 | 121.9° | 122.5° |
| C3' | C2' | O2' | H3 | 126.6° | 123.6° |
| C3' | C2' | C1' | H2 | 142.5° | 81.6° |
| C2' | C3' | C4' | H6 | 74.8° | 117.5° |
| C3' | C2' | O2' | H16 | 70.7° | 67.3° |
| C2' | C3' | O3' | H17 | 63.4° | 61.5° |
| O3' | C3' | C2' | O2' | 49.2° | 20.4° |
| O3' | C3' | C2' | H3 | 78.4° | 144.0° |
| O3' | C3' | C4' | H6 | 49.2° | 1.2° |
| O2' | C2' | C1' | H2 | 26.5° | 36.6° |
| O2' | C2' | C3' | H4 | 171.9° | 102.1° |
| H1 | C5 | C4 | H5 | 90.4° | 57.4° |
| H1 | C5 | C6 | H9 | 0.4° | 0.2° |
| H2 | C1' | C2' | H3 | 98.6° | 160.1° |
| H3 | C2' | C3' | H4 | 44.4° | 21.5° |
| H3 | C2' | O2' | H16 | 55.9° | 56.3° |
| H4 | C3' | C4' | H6 | 171.5° | 123.8° |
| H4 | C3' | O3' | H17 | 58.5° | 61.1° |
| H5 | C4 | N4 | H13 | 89.9° | 56.3° |
| H5 | C4 | N4 | H14 | 30.1° | 179.8° |
| H6 | C4' | C5' | H7 | 36.2° | 66.0° |
| H6 | C4' | C5' | H8 | 83.4° | 174.1° |
| H10 | C31 | H11 | H12 | 120.0° | 120.1° |
| H19 | OP2 | P | OP3 | 124.6° | 60.0° |
