XEC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP2 | P | sing | 1.61Å | 1.48Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| P | O5' | sing | 1.61Å | 1.64Å | |
| P | OP1 | doub | 1.48Å | 1.47Å | |
| C4' | O4' | sing | 1.44Å | 1.47Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| O4' | C1' | sing | 1.44Å | 1.45Å | |
| O2' | CM2 | sing | 1.43Å | 1.46Å | |
| O2' | C2' | sing | 1.43Å | 1.46Å | |
| C1' | C2' | sing | 1.54Å | 1.48Å | |
| C1' | N1 | sing | 1.46Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | C2' | sing | 1.54Å | 1.52Å | |
| N1 | C6 | sing | 1.37Å | 1.42Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| C6 | C5 | doub | 1.35Å | 1.38Å | |
| O2 | C2 | doub | 1.22Å | 1.22Å | |
| C2 | N3 | sing | 1.35Å | 1.35Å | |
| C5 | C4 | sing | 1.42Å | 1.43Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| C4 | O4 | doub | 1.22Å | 1.24Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C1' | H4 | sing | 1.09Å | 1.10Å | |
| C2' | H5 | sing | 1.09Å | 1.10Å | |
| CM2 | H6 | sing | 1.09Å | 1.10Å | |
| CM2 | H7 | sing | 1.09Å | 1.10Å | |
| CM2 | H8 | sing | 1.09Å | 1.10Å | |
| C3' | H9 | sing | 1.09Å | 1.10Å | |
| C4' | H10 | sing | 1.09Å | 1.10Å | |
| O3' | H11 | sing | 0.97Å | 0.95Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å | |
| C5' | H13 | sing | 1.09Å | 1.10Å | |
| OP2 | H15 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 1.64Å | |
| OP3 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP2 | P | O5' | 109.1° | 109.4° |
| OP2 | P | OP1 | 119.7° | 109.5° |
| P | OP2 | H15 | 109.5° | 114.0° |
| OP2 | P | OP3 | 107.4° | 109.5° |
| C4' | C5' | O5' | 105.7° | 109.5° |
| C5' | C4' | O4' | 110.0° | 110.4° |
| C5' | C4' | C3' | 115.6° | 110.4° |
| C5' | C4' | H10 | 109.7° | 110.4° |
| C4' | C5' | H12 | 110.4° | 109.4° |
| C4' | C5' | H13 | 110.4° | 109.4° |
| C5' | O5' | P | 119.3° | 123.0° |
| O5' | C5' | H12 | 110.4° | 109.5° |
| O5' | C5' | H13 | 110.4° | 109.5° |
| O5' | P | OP1 | 107.5° | 109.5° |
| O5' | P | OP3 | 103.3° | 109.5° |
| OP1 | P | OP3 | 108.6° | 109.5° |
| O4' | C4' | C3' | 101.2° | 104.8° |
| C4' | O4' | C1' | 105.8° | 105.3° |
| O4' | C4' | H10 | 110.3° | 110.3° |
| C4' | C3' | O3' | 110.1° | 110.5° |
| C4' | C3' | C2' | 98.9° | 104.1° |
| C4' | C3' | H9 | 112.1° | 110.6° |
| C3' | C4' | H10 | 109.7° | 110.4° |
| O4' | C1' | C2' | 107.9° | 104.8° |
| O4' | C1' | N1 | 107.3° | 110.4° |
| O4' | C1' | H4 | 110.0° | 110.4° |
| CM2 | O2' | C2' | 114.9° | 114.0° |
| O2' | CM2 | H6 | 109.5° | 109.4° |
| O2' | CM2 | H7 | 109.5° | 109.5° |
| O2' | CM2 | H8 | 109.5° | 109.5° |
| O2' | C2' | C1' | 114.2° | 110.5° |
| O2' | C2' | C3' | 109.5° | 110.6° |
| O2' | C2' | H5 | 111.9° | 110.5° |
| C2' | C1' | N1 | 113.1° | 110.4° |
| C1' | C2' | C3' | 97.8° | 104.1° |
| C2' | C1' | H4 | 109.5° | 110.4° |
| C1' | C2' | H5 | 111.5° | 110.5° |
| C1' | N1 | C6 | 121.9° | 119.7° |
| C1' | N1 | C2 | 118.7° | 119.7° |
| N1 | C1' | H4 | 109.1° | 110.3° |
| O3' | C3' | C2' | 109.1° | 110.5° |
| O3' | C3' | H9 | 113.8° | 110.4° |
| C3' | O3' | H11 | 109.5° | 114.0° |
| C3' | C2' | H5 | 111.0° | 110.5° |
| C2' | C3' | H9 | 111.9° | 110.5° |
| C6 | N1 | C2 | 119.3° | 120.6° |
| N1 | C6 | C5 | 119.9° | 119.7° |
| N1 | C6 | H3 | 120.0° | 120.1° |
| N1 | C2 | O2 | 119.8° | 119.6° |
| N1 | C2 | N3 | 120.9° | 120.9° |
| C6 | C5 | C4 | 119.9° | 119.1° |
| C6 | C5 | H2 | 120.1° | 120.4° |
| C5 | C6 | H3 | 120.0° | 120.2° |
| O2 | C2 | N3 | 119.2° | 119.5° |
| C2 | N3 | C4 | 122.8° | 120.3° |
| C2 | N3 | H1 | 118.6° | 119.8° |
| C5 | C4 | N3 | 117.1° | 119.4° |
| C5 | C4 | O4 | 123.1° | 120.3° |
| C4 | C5 | H2 | 120.1° | 120.4° |
| N3 | C4 | O4 | 119.7° | 120.3° |
| C4 | N3 | H1 | 118.6° | 119.9° |
| H6 | CM2 | H7 | 109.5° | 109.5° |
| H6 | CM2 | H8 | 109.4° | 109.4° |
| H7 | CM2 | H8 | 109.4° | 109.5° |
| H12 | C5' | H13 | 109.5° | 109.4° |
| P | OP3 | H14 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP2 | P | O5' | C5' | 35.8° | 65.0° |
| OP2 | P | O5' | OP1 | 131.2° | 120.0° |
| OP2 | P | O5' | OP3 | 114.1° | 120.0° |
| OP2 | P | OP1 | OP3 | 123.8° | 120.0° |
| OP2 | P | OP3 | H14 | 130.8° | 60.0° |
| C4' | C5' | O5' | H12 | 119.4° | 120.0° |
| C4' | C5' | O5' | H13 | 119.4° | 120.0° |
| C4' | C5' | O5' | P | 170.8° | 180.0° |
| C5' | C4' | O4' | C3' | 122.8° | 118.9° |
| C5' | C4' | O4' | H10 | 121.1° | 122.3° |
| C5' | C4' | C3' | H10 | 124.7° | 122.4° |
| C5' | C4' | O4' | C1' | 151.0° | 159.4° |
| C5' | C4' | C3' | O3' | 78.0° | 98.5° |
| C5' | C4' | C3' | C2' | 167.7° | 142.8° |
| C5' | C4' | C3' | H9 | 49.6° | 24.1° |
| C4' | C5' | H12 | H13 | 121.7° | 119.9° |
| C5' | O5' | P | OP1 | 167.0° | 55.0° |
| O5' | C5' | C4' | O4' | 56.0° | 66.4° |
| O5' | C5' | C4' | C3' | 57.8° | 178.2° |
| O5' | C5' | C4' | H10 | 177.5° | 55.8° |
| O5' | C5' | H12 | H13 | 121.8° | 120.0° |
| C5' | O5' | P | OP3 | 78.3° | 175.0° |
| O5' | P | OP1 | OP3 | 111.1° | 120.0° |
| P | O5' | C5' | H12 | 69.8° | 60.0° |
| P | O5' | C5' | H13 | 51.4° | 60.0° |
| O5' | P | OP2 | H15 | 124.3° | 60.0° |
| O5' | P | OP3 | H14 | 113.9° | 179.9° |
| OP1 | P | OP2 | H15 | 0.0° | 180.0° |
| OP1 | P | OP3 | H14 | 0.0° | 60.0° |
| O4' | C4' | C3' | H10 | 116.5° | 118.8° |
| C4' | O4' | C1' | C2' | 4.1° | 40.5° |
| C4' | O4' | C1' | N1 | 118.0° | 159.3° |
| O4' | C4' | C3' | O3' | 163.2° | 142.6° |
| O4' | C4' | C3' | C2' | 49.0° | 23.9° |
| C4' | O4' | C1' | H4 | 123.5° | 78.4° |
| O4' | C4' | C3' | H9 | 69.1° | 94.8° |
| O4' | C4' | C5' | H12 | 175.4° | 53.6° |
| O4' | C4' | C5' | H13 | 63.4° | 173.5° |
| C3' | C4' | O4' | C1' | 28.2° | 40.5° |
| C4' | C3' | C2' | O2' | 69.2° | 118.7° |
| C4' | C3' | C2' | C1' | 50.0° | 0.0° |
| C4' | C3' | O3' | C2' | 107.5° | 114.7° |
| C4' | C3' | O3' | H9 | 126.7° | 122.7° |
| C4' | C3' | C2' | H9 | 118.2° | 118.8° |
| C4' | C3' | C2' | H5 | 166.7° | 118.6° |
| C4' | C3' | O3' | H11 | 180.0° | 65.3° |
| C3' | C4' | C5' | H12 | 61.6° | 61.8° |
| C3' | C4' | C5' | H13 | 177.2° | 58.1° |
| O4' | C1' | C2' | O2' | 81.6° | 142.7° |
| O4' | C1' | C2' | N1 | 118.4° | 118.9° |
| O4' | C1' | C2' | H4 | 119.7° | 118.9° |
| O4' | C1' | N1 | H4 | 119.1° | 122.3° |
| O4' | C1' | C2' | C3' | 34.0° | 24.0° |
| O4' | C1' | N1 | C6 | 17.0° | 4.6° |
| O4' | C1' | N1 | C2 | 159.5° | 175.1° |
| O4' | C1' | C2' | H5 | 150.3° | 94.7° |
| C1' | O4' | C4' | H10 | 87.9° | 78.3° |
| CM2 | O2' | C2' | C1' | 77.8° | 150.0° |
| CM2 | O2' | C2' | C3' | 173.6° | 95.3° |
| CM2 | O2' | C2' | H5 | 50.1° | 27.3° |
| O2' | CM2 | H6 | H7 | 120.0° | 120.0° |
| O2' | CM2 | H6 | H8 | 120.0° | 120.1° |
| O2' | CM2 | H7 | H8 | 120.0° | 120.1° |
| O2' | C2' | C1' | C3' | 115.6° | 118.8° |
| O2' | C2' | C1' | H5 | 128.1° | 122.6° |
| O2' | C2' | C1' | N1 | 160.0° | 98.4° |
| O2' | C2' | C3' | O3' | 45.7° | 0.1° |
| O2' | C2' | C3' | H5 | 124.1° | 122.7° |
| O2' | C2' | C1' | H4 | 38.1° | 23.8° |
| C2' | O2' | CM2 | H6 | 180.0° | 180.0° |
| C2' | O2' | CM2 | H7 | 60.0° | 60.1° |
| C2' | O2' | CM2 | H8 | 60.0° | 60.0° |
| O2' | C2' | C3' | H9 | 172.5° | 122.5° |
| C2' | C1' | N1 | H4 | 122.1° | 122.3° |
| C1' | C2' | C3' | O3' | 164.9° | 118.7° |
| C1' | C2' | C3' | H5 | 116.7° | 118.6° |
| C2' | C1' | N1 | C6 | 101.8° | 120.0° |
| C2' | C1' | N1 | C2 | 81.7° | 59.7° |
| C1' | C2' | C3' | H9 | 68.3° | 118.8° |
| N1 | C1' | C2' | C3' | 84.4° | 142.8° |
| C1' | N1 | C6 | C2 | 176.5° | 179.7° |
| C1' | N1 | C6 | C5 | 178.8° | 179.8° |
| C1' | N1 | C2 | O2 | 2.0° | 0.3° |
| C1' | N1 | C2 | N3 | 179.3° | 179.8° |
| C1' | N1 | C6 | H3 | 1.2° | 0.2° |
| N1 | C1' | C2' | H5 | 31.9° | 24.2° |
| O3' | C3' | C2' | H9 | 126.8° | 122.5° |
| O3' | C3' | C2' | H5 | 78.4° | 122.7° |
| O3' | C3' | C4' | H10 | 46.7° | 23.8° |
| C3' | C2' | C1' | H4 | 153.7° | 95.0° |
| C2' | C3' | C4' | H10 | 67.6° | 94.8° |
| C2' | C3' | O3' | H11 | 72.4° | 180.0° |
| N1 | C6 | C5 | H3 | 180.0° | 180.0° |
| C6 | N1 | C2 | O2 | 178.6° | 180.0° |
| C6 | N1 | C2 | N3 | 2.7° | 0.0° |
| N1 | C6 | C5 | C4 | 0.5° | 0.0° |
| N1 | C6 | C5 | H2 | 179.5° | 180.0° |
| C6 | N1 | C1' | H4 | 136.1° | 117.7° |
| C2 | N1 | C6 | C5 | 2.3° | 0.0° |
| N1 | C2 | O2 | N3 | 178.8° | 179.9° |
| N1 | C2 | N3 | C4 | 1.2° | 0.0° |
| N1 | C2 | N3 | H1 | 178.8° | 180.0° |
| C2 | N1 | C6 | H3 | 177.7° | 180.0° |
| C2 | N1 | C1' | H4 | 40.4° | 62.5° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | N3 | 1.0° | 0.0° |
| C6 | C5 | C4 | O4 | 177.7° | 180.0° |
| O2 | C2 | N3 | C4 | 179.9° | 179.9° |
| O2 | C2 | N3 | H1 | 0.1° | 0.1° |
| C2 | N3 | C4 | C5 | 0.7° | 0.0° |
| C2 | N3 | C4 | H1 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 177.5° | 180.0° |
| C5 | C4 | N3 | O4 | 176.8° | 180.0° |
| C5 | C4 | N3 | H1 | 179.3° | 180.0° |
| C4 | C5 | C6 | H3 | 179.5° | 180.0° |
| N3 | C4 | C5 | H2 | 179.0° | 180.0° |
| O4 | C4 | N3 | H1 | 2.5° | 0.0° |
| O4 | C4 | C5 | H2 | 2.3° | 0.0° |
| H2 | C5 | C6 | H3 | 0.5° | 0.0° |
| H4 | C1' | C2' | H5 | 90.0° | 146.4° |
| H5 | C2' | C3' | H9 | 48.4° | 0.2° |
| H6 | CM2 | H7 | H8 | 119.9° | 120.0° |
| H9 | C3' | C4' | H10 | 174.3° | 146.4° |
| H9 | C3' | O3' | H11 | 53.3° | 57.4° |
| H10 | C4' | C5' | H12 | 63.1° | 175.9° |
| H10 | C4' | C5' | H13 | 58.1° | 64.2° |
| H15 | OP2 | P | OP3 | 124.3° | 60.0° |
