XB9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2' | C1' | sing | 1.54Å | 1.51Å | |
| C2' | C3' | sing | 1.54Å | 1.51Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| N2 | C2 | sing | 1.35Å | 1.33Å | |
| C1' | N1 | sing | 1.46Å | 1.46Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C2 | N1 | sing | 1.35Å | 1.33Å | |
| C2 | O1 | doub | 1.22Å | 1.22Å | |
| C3' | C4' | sing | 1.55Å | 1.51Å | |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| O5' | P | sing | 1.61Å | 1.61Å | |
| OP1 | P | doub | 1.48Å | 1.52Å | |
| OP2 | P | sing | 1.61Å | 1.51Å | |
| P | O2 | sing | 1.61Å | 1.61Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C1' | H4 | sing | 1.09Å | 1.10Å | |
| C2' | H5 | sing | 1.09Å | 1.10Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| C3' | H7 | sing | 1.09Å | 1.10Å | |
| C4' | H8 | sing | 1.09Å | 1.10Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| O3' | H11 | sing | 0.97Å | 0.95Å | |
| OP2 | H12 | sing | 0.97Å | 0.95Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1' | C2' | C3' | 104.8° | 104.1° |
| C2' | C1' | N1 | 104.4° | 110.4° |
| C2' | C1' | O4' | 106.8° | 104.7° |
| C2' | C1' | H4 | 111.2° | 110.5° |
| C1' | C2' | H5 | 110.6° | 110.5° |
| C1' | C2' | H6 | 110.6° | 110.5° |
| C2' | C3' | O3' | 107.7° | 110.5° |
| C2' | C3' | C4' | 106.1° | 104.0° |
| C3' | C2' | H5 | 110.7° | 110.5° |
| C3' | C2' | H6 | 110.6° | 110.5° |
| C2' | C3' | H7 | 110.9° | 110.6° |
| O3' | C3' | C4' | 108.7° | 110.5° |
| O3' | C3' | H7 | 112.2° | 110.6° |
| C3' | O3' | H11 | 109.5° | 113.9° |
| N2 | C2 | N1 | 116.2° | 120.0° |
| N2 | C2 | O1 | 122.1° | 120.0° |
| C2 | N2 | H1 | 120.0° | 120.0° |
| C2 | N2 | H2 | 120.0° | 120.0° |
| N1 | C1' | O4' | 109.4° | 110.4° |
| C1' | N1 | C2 | 120.3° | 120.0° |
| C1' | N1 | H3 | 119.8° | 120.0° |
| N1 | C1' | H4 | 112.1° | 110.3° |
| C1' | O4' | C4' | 112.2° | 105.3° |
| O4' | C1' | H4 | 112.5° | 110.4° |
| N1 | C2 | O1 | 121.7° | 120.0° |
| C2 | N1 | H3 | 119.9° | 120.0° |
| C3' | C4' | O4' | 105.7° | 104.8° |
| C3' | C4' | C5' | 110.9° | 110.4° |
| C4' | C3' | H7 | 110.9° | 110.5° |
| C3' | C4' | H8 | 109.7° | 110.4° |
| O4' | C4' | C5' | 110.1° | 110.4° |
| O4' | C4' | H8 | 110.9° | 110.5° |
| C4' | C5' | O5' | 109.9° | 109.4° |
| C5' | C4' | H8 | 109.5° | 110.3° |
| C4' | C5' | H9 | 109.3° | 109.4° |
| C4' | C5' | H10 | 109.4° | 109.5° |
| C5' | O5' | P | 121.4° | 123.0° |
| O5' | C5' | H9 | 109.4° | 109.5° |
| O5' | C5' | H10 | 109.4° | 109.5° |
| O5' | P | OP1 | 110.4° | 109.5° |
| O5' | P | OP2 | 110.9° | 109.5° |
| O5' | P | O2 | 104.3° | 109.5° |
| OP1 | P | OP2 | 110.2° | 109.5° |
| OP1 | P | O2 | 114.4° | 109.5° |
| OP2 | P | O2 | 106.5° | 109.5° |
| P | OP2 | H12 | 109.5° | 114.0° |
| P | O2 | H13 | 109.5° | 114.0° |
| H1 | N2 | H2 | 120.0° | 119.9° |
| H5 | C2' | H6 | 109.5° | 110.5° |
| H9 | C5' | H10 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1' | C2' | C3' | H5 | 119.3° | 118.7° |
| C1' | C2' | C3' | H6 | 119.2° | 118.6° |
| C1' | C2' | C3' | O3' | 95.8° | 118.6° |
| C2' | C1' | N1 | O4' | 114.0° | 115.3° |
| C2' | C1' | N1 | H4 | 120.5° | 122.4° |
| C2' | C1' | O4' | H4 | 122.3° | 118.9° |
| C2' | C1' | N1 | C2 | 149.1° | 148.2° |
| C1' | C2' | C3' | C4' | 20.5° | 0.0° |
| C2' | C1' | O4' | C4' | 2.2° | 40.5° |
| C2' | C1' | N1 | H3 | 30.9° | 31.8° |
| C1' | C2' | H5 | H6 | 122.2° | 122.6° |
| C1' | C2' | C3' | H7 | 141.0° | 118.6° |
| C2' | C3' | O3' | C4' | 114.6° | 114.6° |
| C2' | C3' | O3' | H7 | 122.3° | 122.8° |
| C3' | C2' | C1' | N1 | 130.0° | 142.8° |
| C3' | C2' | C1' | O4' | 14.2° | 24.0° |
| C2' | C3' | C4' | H7 | 120.5° | 118.7° |
| C2' | C3' | C4' | O4' | 19.4° | 24.0° |
| C2' | C3' | C4' | C5' | 99.9° | 142.8° |
| C3' | C2' | C1' | H4 | 108.9° | 94.9° |
| C3' | C2' | H5 | H6 | 122.2° | 122.6° |
| C2' | C3' | C4' | H8 | 139.0° | 94.9° |
| C2' | C3' | O3' | H11 | 180.0° | 61.6° |
| O3' | C3' | C4' | H7 | 123.8° | 122.7° |
| O3' | C3' | C4' | O4' | 96.3° | 142.6° |
| O3' | C3' | C4' | C5' | 144.4° | 98.6° |
| O3' | C3' | C2' | H5 | 23.4° | 0.1° |
| O3' | C3' | C2' | H6 | 144.9° | 122.8° |
| O3' | C3' | C4' | H8 | 23.4° | 23.7° |
| N2 | C2 | N1 | C1' | 0.2° | 180.0° |
| N2 | C2 | N1 | O1 | 179.6° | 180.0° |
| C2 | N2 | H1 | H2 | 180.0° | 179.7° |
| N2 | C2 | N1 | H3 | 179.8° | 0.0° |
| N1 | C1' | O4' | H4 | 125.2° | 122.2° |
| C1' | N1 | C2 | H3 | 180.0° | 180.0° |
| C1' | N1 | C2 | O1 | 179.4° | 0.0° |
| N1 | C1' | O4' | C4' | 114.7° | 159.4° |
| N1 | C1' | C2' | H5 | 110.7° | 98.5° |
| N1 | C1' | C2' | H6 | 10.7° | 24.2° |
| O4' | C1' | N1 | C2 | 96.9° | 96.5° |
| C1' | O4' | C4' | C3' | 10.8° | 40.6° |
| C1' | O4' | C4' | C5' | 109.0° | 159.4° |
| O4' | C1' | N1 | H3 | 83.1° | 83.5° |
| O4' | C1' | C2' | H5 | 133.5° | 142.7° |
| O4' | C1' | C2' | H6 | 105.1° | 94.7° |
| C1' | O4' | C4' | H8 | 129.7° | 78.3° |
| N1 | C2 | N2 | H1 | 179.6° | 0.0° |
| N1 | C2 | N2 | H2 | 0.4° | 179.7° |
| C2 | N1 | C1' | H4 | 28.6° | 25.8° |
| O1 | C2 | N2 | H1 | 0.0° | 180.0° |
| O1 | C2 | N2 | H2 | 180.0° | 0.3° |
| O1 | C2 | N1 | H3 | 0.6° | 180.0° |
| C3' | C4' | O4' | C5' | 119.8° | 118.8° |
| C3' | C4' | O4' | H8 | 118.9° | 118.9° |
| C3' | C4' | C5' | H8 | 121.2° | 122.3° |
| C3' | C4' | C5' | O5' | 66.1° | 175.0° |
| C4' | C3' | C2' | H5 | 139.7° | 118.7° |
| C4' | C3' | C2' | H6 | 98.8° | 118.6° |
| C3' | C4' | C5' | H9 | 173.8° | 55.0° |
| C3' | C4' | C5' | H10 | 54.0° | 65.0° |
| C4' | C3' | O3' | H11 | 65.4° | 176.2° |
| O4' | C4' | C5' | H8 | 122.1° | 122.3° |
| O4' | C4' | C5' | O5' | 50.5° | 69.6° |
| C4' | O4' | C1' | H4 | 120.1° | 78.4° |
| O4' | C4' | C3' | H7 | 139.9° | 94.7° |
| O4' | C4' | C5' | H9 | 69.5° | 170.4° |
| O4' | C4' | C5' | H10 | 170.6° | 50.4° |
| C4' | C5' | O5' | H9 | 120.1° | 119.9° |
| C4' | C5' | O5' | H10 | 120.1° | 120.0° |
| C4' | C5' | O5' | P | 160.5° | 180.0° |
| C5' | C4' | C3' | H7 | 20.6° | 24.1° |
| C4' | C5' | H9 | H10 | 119.8° | 120.0° |
| C5' | O5' | P | OP1 | 179.0° | 55.0° |
| C5' | O5' | P | OP2 | 58.5° | 65.0° |
| C5' | O5' | P | O2 | 55.7° | 175.0° |
| O5' | C5' | C4' | H8 | 172.7° | 52.7° |
| O5' | C5' | H9 | H10 | 119.8° | 120.0° |
| O5' | P | OP1 | OP2 | 122.9° | 120.0° |
| O5' | P | OP1 | O2 | 117.2° | 120.0° |
| O5' | P | OP2 | O2 | 112.8° | 120.0° |
| P | O5' | C5' | H9 | 79.4° | 60.0° |
| P | O5' | C5' | H10 | 40.4° | 60.0° |
| O5' | P | OP2 | H12 | 122.6° | 60.0° |
| O5' | P | O2 | H13 | 120.6° | 180.0° |
| OP1 | P | OP2 | O2 | 124.6° | 120.0° |
| OP1 | P | OP2 | H12 | 0.0° | 180.0° |
| OP1 | P | O2 | H13 | 0.0° | 60.0° |
| OP2 | P | O2 | H13 | 122.0° | 60.0° |
| O2 | P | OP2 | H12 | 124.6° | 60.0° |
| H3 | N1 | C1' | H4 | 151.4° | 154.2° |
| H4 | C1' | C2' | H5 | 10.4° | 23.8° |
| H4 | C1' | C2' | H6 | 131.8° | 146.4° |
| H5 | C2' | C3' | H7 | 99.8° | 122.7° |
| H6 | C2' | C3' | H7 | 21.7° | 0.0° |
| H7 | C3' | C4' | H8 | 100.5° | 146.4° |
| H7 | C3' | O3' | H11 | 57.7° | 61.2° |
| H8 | C4' | C5' | H9 | 52.6° | 67.3° |
| H8 | C4' | C5' | H10 | 67.3° | 172.7° |
