B8T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.24Å | |
| O2' | C2' | sing | 1.43Å | 1.41Å | |
| C2 | N3 | sing | 1.33Å | 1.34Å | |
| C2 | N1 | sing | 1.35Å | 1.39Å | |
| N3 | C4 | doub | 1.33Å | 1.34Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C1' | N1 | sing | 1.47Å | 1.48Å | |
| C1' | O4' | sing | 1.44Å | 1.41Å | |
| N1 | C6 | sing | 1.36Å | 1.33Å | |
| C4 | N4 | sing | 1.37Å | 1.34Å | |
| C4 | C5 | sing | 1.41Å | 1.37Å | |
| N4 | C41 | sing | 1.47Å | 1.45Å | |
| O3' | C3' | sing | 1.43Å | 1.41Å | |
| C3' | C4' | sing | 1.54Å | 1.51Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C6 | C5 | doub | 1.35Å | 1.38Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C5' | O5' | 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 | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C1' | H3 | sing | 1.09Å | 1.10Å | |
| C2' | H4 | sing | 1.09Å | 1.10Å | |
| C3' | H5 | sing | 1.09Å | 1.10Å | |
| C4' | H6 | sing | 1.09Å | 1.10Å | |
| C41 | H7 | sing | 1.09Å | 1.10Å | |
| C41 | H8 | sing | 1.09Å | 1.10Å | |
| C41 | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| O2' | H13 | sing | 0.97Å | 0.95Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å | |
| OP2 | H15 | sing | 0.97Å | 0.95Å | |
| OP3 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 119.6° | 119.5° |
| O2 | C2 | N1 | 120.3° | 119.5° |
| O2' | C2' | C1' | 108.3° | 110.5° |
| O2' | C2' | C3' | 110.5° | 110.5° |
| O2' | C2' | H4 | 113.2° | 110.6° |
| C2' | O2' | H13 | 109.5° | 114.0° |
| N3 | C2 | N1 | 120.2° | 121.1° |
| C2 | N3 | C4 | 121.5° | 120.7° |
| C2 | N1 | C1' | 119.5° | 119.8° |
| C2 | N1 | C6 | 118.5° | 120.3° |
| N3 | C4 | N4 | 120.0° | 120.2° |
| N3 | C4 | C5 | 119.3° | 119.6° |
| C1' | C2' | C3' | 101.2° | 104.0° |
| C2' | C1' | N1 | 111.5° | 110.3° |
| C2' | C1' | O4' | 107.4° | 104.8° |
| C2' | C1' | H3 | 108.8° | 110.5° |
| C1' | C2' | H4 | 111.3° | 110.5° |
| C2' | C3' | O3' | 114.5° | 110.5° |
| C2' | C3' | C4' | 102.1° | 104.0° |
| C3' | C2' | H4 | 111.5° | 110.6° |
| C2' | C3' | H5 | 108.3° | 110.5° |
| N1 | C1' | O4' | 109.2° | 110.4° |
| C1' | N1 | C6 | 122.0° | 119.8° |
| N1 | C1' | H3 | 109.5° | 110.3° |
| C1' | O4' | C4' | 109.5° | 105.2° |
| O4' | C1' | H3 | 110.4° | 110.4° |
| N1 | C6 | C5 | 121.2° | 119.3° |
| N1 | C6 | H2 | 119.4° | 120.4° |
| N4 | C4 | C5 | 120.7° | 120.2° |
| C4 | N4 | C41 | 121.1° | 120.0° |
| C4 | N4 | H12 | 119.4° | 120.0° |
| C4 | C5 | C6 | 119.4° | 119.0° |
| C4 | C5 | H1 | 120.3° | 120.5° |
| N4 | C41 | H7 | 109.5° | 109.5° |
| N4 | C41 | H8 | 109.5° | 109.5° |
| N4 | C41 | H9 | 109.5° | 109.4° |
| C41 | N4 | H12 | 119.5° | 119.9° |
| O3' | C3' | C4' | 113.3° | 110.5° |
| O3' | C3' | H5 | 109.8° | 110.6° |
| C3' | O3' | H14 | 109.5° | 114.0° |
| C3' | C4' | O4' | 103.0° | 104.8° |
| C3' | C4' | C5' | 115.5° | 110.3° |
| C4' | C3' | H5 | 108.4° | 110.5° |
| C3' | C4' | H6 | 109.0° | 110.3° |
| O4' | C4' | C5' | 110.4° | 110.4° |
| O4' | C4' | H6 | 109.8° | 110.5° |
| C6 | C5 | H1 | 120.3° | 120.5° |
| C5 | C6 | H2 | 119.4° | 120.3° |
| C4' | C5' | O5' | 111.4° | 109.5° |
| C5' | C4' | H6 | 109.0° | 110.3° |
| C4' | C5' | H10 | 109.0° | 109.5° |
| C4' | C5' | H11 | 109.0° | 109.4° |
| C5' | O5' | P | 120.5° | 123.0° |
| O5' | C5' | H10 | 109.0° | 109.5° |
| O5' | C5' | H11 | 109.0° | 109.4° |
| O5' | P | OP1 | 107.0° | 109.5° |
| O5' | P | OP2 | 108.4° | 109.5° |
| O5' | P | OP3 | 103.7° | 109.5° |
| OP1 | P | OP2 | 121.2° | 109.4° |
| OP1 | P | OP3 | 107.6° | 109.4° |
| OP2 | P | OP3 | 107.7° | 109.5° |
| P | OP2 | H15 | 109.5° | 114.1° |
| P | OP3 | H16 | 109.5° | 114.1° |
| H7 | C41 | H8 | 109.5° | 109.5° |
| H7 | C41 | H9 | 109.4° | 109.5° |
| H8 | C41 | H9 | 109.5° | 109.4° |
| H10 | C5' | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 179.5° | 179.9° |
| O2 | C2 | N3 | C4 | 180.0° | 179.9° |
| O2 | C2 | N1 | C1' | 1.5° | 0.3° |
| O2 | C2 | N1 | C6 | 179.9° | 180.0° |
| O2' | C2' | C1' | C3' | 116.3° | 118.6° |
| O2' | C2' | C1' | H4 | 125.1° | 122.7° |
| O2' | C2' | C3' | H4 | 126.8° | 122.7° |
| O2' | C2' | C1' | N1 | 146.0° | 98.6° |
| O2' | C2' | C1' | O4' | 94.3° | 142.6° |
| O2' | C2' | C3' | O3' | 45.5° | 0.1° |
| O2' | C2' | C3' | C4' | 77.4° | 118.6° |
| O2' | C2' | C1' | H3 | 25.2° | 23.7° |
| O2' | C2' | C3' | H5 | 168.3° | 122.8° |
| N3 | C2 | N1 | C1' | 179.0° | 179.8° |
| N3 | C2 | N1 | C6 | 0.6° | 0.1° |
| C2 | N3 | C4 | N4 | 179.8° | 180.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.0° |
| N1 | C2 | N3 | C4 | 0.5° | 0.1° |
| C2 | N1 | C1' | C2' | 81.1° | 61.5° |
| C2 | N1 | C1' | C6 | 178.3° | 179.7° |
| C2 | N1 | C1' | O4' | 160.3° | 53.9° |
| C2 | N1 | C6 | C5 | 0.6° | 0.0° |
| C2 | N1 | C6 | H2 | 179.5° | 179.9° |
| C2 | N1 | C1' | H3 | 39.3° | 176.1° |
| N3 | C4 | N4 | C5 | 179.5° | 179.9° |
| N3 | C4 | N4 | C41 | 163.8° | 0.1° |
| N3 | C4 | C5 | C6 | 0.2° | 0.1° |
| N3 | C4 | C5 | H1 | 179.8° | 180.0° |
| N3 | C4 | N4 | H12 | 16.2° | 180.0° |
| C1' | C2' | C3' | H4 | 118.5° | 118.7° |
| C2' | C1' | N1 | O4' | 118.6° | 115.4° |
| C2' | C1' | N1 | H3 | 120.4° | 122.3° |
| C2' | C1' | O4' | H3 | 118.5° | 119.0° |
| C2' | C1' | N1 | C6 | 97.2° | 118.2° |
| C1' | C2' | C3' | O3' | 160.1° | 118.6° |
| C1' | C2' | C3' | C4' | 37.2° | 0.0° |
| C2' | C1' | O4' | C4' | 3.0° | 40.5° |
| C1' | C2' | C3' | H5 | 77.0° | 118.6° |
| C1' | C2' | O2' | H13 | 180.0° | 180.0° |
| C3' | C2' | C1' | N1 | 97.7° | 142.9° |
| C3' | C2' | C1' | O4' | 21.9° | 24.0° |
| C2' | C3' | O3' | C4' | 116.6° | 114.7° |
| C2' | C3' | O3' | H5 | 122.0° | 122.6° |
| C2' | C3' | C4' | H5 | 114.2° | 118.6° |
| C2' | C3' | C4' | O4' | 39.9° | 23.9° |
| C2' | C3' | C4' | C5' | 160.3° | 142.8° |
| C3' | C2' | C1' | H3 | 141.5° | 94.9° |
| C2' | C3' | C4' | H6 | 76.7° | 95.0° |
| C3' | C2' | O2' | H13 | 69.9° | 65.4° |
| C2' | C3' | O3' | H14 | 180.0° | 61.4° |
| N1 | C1' | O4' | H3 | 120.4° | 122.2° |
| N1 | C1' | O4' | C4' | 124.1° | 159.4° |
| C1' | N1 | C6 | C5 | 178.8° | 179.7° |
| C1' | N1 | C6 | H2 | 1.2° | 0.2° |
| N1 | C1' | C2' | H4 | 20.9° | 24.2° |
| O4' | C1' | N1 | C6 | 21.4° | 126.4° |
| C1' | O4' | C4' | C3' | 27.0° | 40.5° |
| C1' | O4' | C4' | C5' | 150.8° | 159.3° |
| O4' | C1' | C2' | H4 | 140.6° | 94.7° |
| C1' | O4' | C4' | H6 | 89.0° | 78.4° |
| N1 | C6 | C5 | C4 | 0.4° | 0.1° |
| N1 | C6 | C5 | H2 | 180.0° | 179.9° |
| N1 | C6 | C5 | H1 | 179.7° | 180.0° |
| C6 | N1 | C1' | H3 | 142.4° | 4.2° |
| C4 | N4 | C41 | H12 | 180.0° | 180.0° |
| N4 | C4 | C5 | C6 | 179.7° | 180.0° |
| N4 | C4 | C5 | H1 | 0.3° | 0.0° |
| C4 | N4 | C41 | H7 | 180.0° | 60.0° |
| C4 | N4 | C41 | H8 | 60.0° | 180.0° |
| C4 | N4 | C41 | H9 | 60.0° | 60.0° |
| C5 | C4 | N4 | C41 | 16.7° | 180.0° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | H2 | 179.7° | 180.0° |
| C5 | C4 | N4 | H12 | 163.3° | 0.0° |
| N4 | C41 | H7 | H8 | 120.0° | 120.0° |
| N4 | C41 | H7 | H9 | 120.0° | 120.0° |
| N4 | C41 | H8 | H9 | 120.0° | 120.0° |
| O3' | C3' | C4' | H5 | 122.1° | 122.8° |
| O3' | C3' | C4' | O4' | 163.6° | 142.6° |
| O3' | C3' | C4' | C5' | 76.0° | 98.5° |
| O3' | C3' | C2' | H4 | 81.4° | 122.7° |
| O3' | C3' | C4' | H6 | 47.0° | 23.6° |
| C3' | C4' | O4' | C5' | 123.8° | 118.8° |
| C3' | C4' | O4' | H6 | 115.9° | 118.9° |
| C3' | C4' | C5' | H6 | 123.0° | 122.2° |
| C3' | C4' | C5' | O5' | 36.5° | 175.0° |
| C4' | C3' | C2' | H4 | 155.7° | 118.6° |
| C3' | C4' | C5' | H10 | 156.8° | 55.0° |
| C3' | C4' | C5' | H11 | 83.8° | 65.1° |
| C4' | C3' | O3' | H14 | 63.4° | 176.1° |
| O4' | C4' | C5' | H6 | 120.7° | 122.4° |
| O4' | C4' | C5' | O5' | 79.8° | 69.6° |
| C4' | O4' | C1' | H3 | 115.5° | 78.4° |
| O4' | C4' | C3' | H5 | 74.3° | 94.6° |
| O4' | C4' | C5' | H10 | 40.5° | 170.4° |
| O4' | C4' | C5' | H11 | 159.9° | 50.3° |
| C4' | C5' | O5' | H10 | 120.3° | 120.1° |
| C4' | C5' | O5' | H11 | 120.3° | 119.9° |
| C4' | C5' | O5' | P | 151.0° | 180.0° |
| C5' | C4' | C3' | H5 | 46.1° | 24.2° |
| C4' | C5' | H10 | H11 | 119.1° | 120.0° |
| C5' | O5' | P | OP1 | 147.1° | 55.0° |
| C5' | O5' | P | OP2 | 80.7° | 175.0° |
| C5' | O5' | P | OP3 | 33.5° | 65.0° |
| O5' | C5' | C4' | H6 | 159.5° | 52.8° |
| O5' | C5' | H10 | H11 | 119.1° | 120.0° |
| O5' | P | OP1 | OP2 | 124.8° | 120.1° |
| O5' | P | OP1 | OP3 | 110.9° | 120.0° |
| O5' | P | OP2 | OP3 | 111.5° | 120.0° |
| P | O5' | C5' | H10 | 30.7° | 60.0° |
| P | O5' | C5' | H11 | 88.8° | 60.1° |
| O5' | P | OP2 | H15 | 124.1° | 180.0° |
| O5' | P | OP3 | H16 | 113.1° | 60.0° |
| OP1 | P | OP2 | OP3 | 124.4° | 119.9° |
| OP1 | P | OP2 | H15 | 0.0° | 60.0° |
| OP1 | P | OP3 | H16 | 0.0° | 180.0° |
| OP2 | P | OP3 | H16 | 132.2° | 60.0° |
| OP3 | P | OP2 | H15 | 124.4° | 60.0° |
| H1 | C5 | C6 | H2 | 0.3° | 0.0° |
| H3 | C1' | C2' | H4 | 99.9° | 146.4° |
| H4 | C2' | C3' | H5 | 41.5° | 0.0° |
| H4 | C2' | O2' | H13 | 56.0° | 57.3° |
| H5 | C3' | C4' | H6 | 169.2° | 146.4° |
| H5 | C3' | O3' | H14 | 58.0° | 61.2° |
| H6 | C4' | C5' | H10 | 80.2° | 67.2° |
| H6 | C4' | C5' | H11 | 39.2° | 172.7° |
| H7 | C41 | H8 | H9 | 120.0° | 120.0° |
| H7 | C41 | N4 | H12 | 0.0° | 120.0° |
| H8 | C41 | N4 | H12 | 120.0° | 0.0° |
| H9 | C41 | N4 | H12 | 120.0° | 120.0° |
