QCE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.55Å | 1.52Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| O4' | C1' | sing | 1.45Å | 1.43Å | |
| C1' | N1 | sing | 1.47Å | 1.47Å | |
| O5' | P | sing | 1.61Å | 1.61Å | |
| OP2 | P | sing | 1.61Å | 1.61Å | |
| P | OP1 | sing | 1.61Å | 1.61Å | |
| N1 | C2 | sing | 1.35Å | 1.42Å | |
| N1 | C6 | sing | 1.37Å | 1.34Å | |
| O2 | C2 | doub | 1.22Å | 1.25Å | |
| C2 | N3 | sing | 1.35Å | 1.42Å | |
| C6 | C5 | doub | 1.35Å | 1.39Å | |
| C5 | C7 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.42Å | 1.39Å | |
| N3 | C4 | sing | 1.35Å | 1.42Å | |
| N3 | C3 | sing | 1.47Å | 1.47Å | |
| C4 | O4 | doub | 1.22Å | 1.25Å | |
| C3 | C1 | sing | 1.51Å | 1.51Å | |
| O21 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | N | sing | 1.35Å | 1.34Å | |
| N | CA' | sing | 1.46Å | 1.45Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C1' | H6 | sing | 1.09Å | 1.10Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| C3' | H9 | sing | 1.09Å | 1.10Å | |
| O3' | H10 | sing | 0.97Å | 0.95Å | |
| C4' | H11 | sing | 1.09Å | 1.10Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å | |
| C5' | H13 | sing | 1.09Å | 1.10Å | |
| OP1 | H14 | sing | 0.97Å | 0.95Å | |
| OP2 | H15 | sing | 0.97Å | 0.95Å | |
| CA' | H16 | sing | 1.09Å | 1.10Å | |
| CA' | H17 | sing | 1.09Å | 1.10Å | |
| CA' | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 110.3° | 110.5° |
| O3' | C3' | C2' | 110.0° | 110.5° |
| O3' | C3' | H9 | 110.9° | 110.6° |
| C3' | O3' | H10 | 109.5° | 114.0° |
| C4' | C3' | C2' | 106.2° | 104.0° |
| C3' | C4' | C5' | 111.4° | 110.3° |
| C3' | C4' | O4' | 106.9° | 104.8° |
| C4' | C3' | H9 | 109.6° | 110.5° |
| C3' | C4' | H11 | 109.0° | 110.4° |
| C3' | C2' | C1' | 105.3° | 104.1° |
| C3' | C2' | H7 | 110.5° | 110.5° |
| C3' | C2' | H8 | 110.5° | 110.6° |
| C2' | C3' | H9 | 109.7° | 110.5° |
| C5' | C4' | O4' | 110.3° | 110.3° |
| C4' | C5' | O5' | 109.0° | 109.5° |
| C5' | C4' | H11 | 109.0° | 110.3° |
| C4' | C5' | H12 | 109.6° | 109.5° |
| C4' | C5' | H13 | 109.6° | 109.5° |
| C4' | O4' | C1' | 110.5° | 105.2° |
| O4' | C4' | H11 | 110.3° | 110.5° |
| C5' | O5' | P | 121.0° | 123.0° |
| O5' | C5' | H12 | 109.6° | 109.4° |
| O5' | C5' | H13 | 109.6° | 109.4° |
| C2' | C1' | O4' | 108.1° | 104.9° |
| C2' | C1' | N1 | 110.4° | 110.3° |
| C2' | C1' | H6 | 108.5° | 110.4° |
| C1' | C2' | H7 | 110.5° | 110.5° |
| C1' | C2' | H8 | 110.5° | 110.5° |
| O4' | C1' | N1 | 110.7° | 110.4° |
| O4' | C1' | H6 | 109.8° | 110.3° |
| C1' | N1 | C2 | 119.6° | 119.6° |
| C1' | N1 | C6 | 120.2° | 119.7° |
| N1 | C1' | H6 | 109.3° | 110.4° |
| O5' | P | OP2 | 110.3° | 102.0° |
| O5' | P | OP1 | 109.1° | 102.0° |
| OP2 | P | OP1 | 110.3° | 102.0° |
| P | OP2 | H15 | 109.5° | 114.0° |
| P | OP1 | H14 | 109.5° | 114.0° |
| C2 | N1 | C6 | 120.3° | 120.7° |
| N1 | C2 | O2 | 120.1° | 119.6° |
| N1 | C2 | N3 | 119.7° | 120.9° |
| N1 | C6 | C5 | 121.7° | 119.7° |
| N1 | C6 | H5 | 119.2° | 120.2° |
| O2 | C2 | N3 | 120.3° | 119.5° |
| C2 | N3 | C4 | 118.6° | 120.3° |
| C2 | N3 | C3 | 119.8° | 119.9° |
| C6 | C5 | C7 | 118.9° | 120.5° |
| C6 | C5 | C4 | 120.2° | 119.1° |
| C5 | C6 | H5 | 119.2° | 120.2° |
| C7 | C5 | C4 | 120.9° | 120.4° |
| C5 | C7 | H2 | 109.5° | 109.5° |
| C5 | C7 | H3 | 109.5° | 109.4° |
| C5 | C7 | H4 | 109.5° | 109.5° |
| C5 | C4 | N3 | 119.6° | 119.4° |
| C5 | C4 | O4 | 119.7° | 120.3° |
| C4 | N3 | C3 | 121.5° | 119.9° |
| N3 | C4 | O4 | 120.7° | 120.3° |
| N3 | C3 | C1 | 112.0° | 109.4° |
| N3 | C3 | H19 | 108.8° | 109.5° |
| N3 | C3 | H20 | 108.8° | 109.5° |
| C3 | C1 | O21 | 120.1° | 120.1° |
| C3 | C1 | N | 116.4° | 120.0° |
| C1 | C3 | H19 | 108.8° | 109.5° |
| C1 | C3 | H20 | 108.8° | 109.5° |
| O21 | C1 | N | 123.5° | 120.0° |
| C1 | N | CA' | 123.2° | 120.0° |
| C1 | N | H1 | 118.4° | 120.0° |
| CA' | N | H1 | 118.4° | 120.1° |
| N | CA' | H16 | 109.5° | 109.5° |
| N | CA' | H17 | 109.5° | 109.5° |
| N | CA' | H18 | 109.5° | 109.5° |
| H2 | C7 | H3 | 109.4° | 109.5° |
| H2 | C7 | H4 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.4° |
| H7 | C2' | H8 | 109.5° | 110.4° |
| H12 | C5' | H13 | 109.5° | 109.5° |
| H16 | CA' | H17 | 109.5° | 109.5° |
| H16 | CA' | H18 | 109.5° | 109.5° |
| H17 | CA' | H18 | 109.4° | 109.4° |
| H19 | C3 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C4' | C2' | 119.2° | 118.6° |
| O3' | C3' | C4' | H9 | 122.4° | 122.8° |
| O3' | C3' | C2' | H9 | 122.3° | 122.7° |
| O3' | C3' | C4' | C5' | 104.5° | 98.6° |
| O3' | C3' | C4' | O4' | 135.0° | 142.6° |
| O3' | C3' | C2' | C1' | 127.7° | 118.7° |
| O3' | C3' | C2' | H7 | 113.0° | 0.0° |
| O3' | C3' | C2' | H8 | 8.3° | 122.6° |
| O3' | C3' | C4' | H11 | 15.8° | 23.7° |
| C4' | C3' | C2' | H9 | 118.4° | 118.6° |
| C3' | C4' | C5' | O4' | 118.5° | 115.4° |
| C3' | C4' | C5' | H11 | 120.3° | 122.3° |
| C3' | C4' | O4' | H11 | 118.4° | 118.9° |
| C3' | C4' | C5' | O5' | 66.7° | 175.0° |
| C4' | C3' | C2' | C1' | 8.3° | 0.0° |
| C3' | C4' | O4' | C1' | 17.7° | 40.5° |
| C4' | C3' | C2' | H7 | 127.6° | 118.6° |
| C4' | C3' | C2' | H8 | 111.0° | 118.7° |
| C4' | C3' | O3' | H10 | 180.0° | 180.0° |
| C3' | C4' | C5' | H12 | 173.4° | 55.0° |
| C3' | C4' | C5' | H13 | 53.2° | 65.0° |
| C2' | C3' | C4' | C5' | 136.4° | 142.8° |
| C2' | C3' | C4' | O4' | 15.8° | 24.0° |
| C3' | C2' | C1' | H7 | 119.3° | 118.7° |
| C3' | C2' | C1' | H8 | 119.3° | 118.8° |
| C3' | C2' | C1' | O4' | 2.0° | 23.9° |
| C3' | C2' | C1' | N1 | 123.2° | 142.8° |
| C3' | C2' | C1' | H6 | 117.0° | 94.9° |
| C3' | C2' | H7 | H8 | 121.9° | 122.8° |
| C2' | C3' | O3' | H10 | 63.2° | 65.4° |
| C2' | C3' | C4' | H11 | 103.4° | 95.0° |
| C5' | C4' | O4' | H11 | 120.4° | 122.3° |
| C4' | C5' | O5' | H12 | 120.0° | 120.0° |
| C4' | C5' | O5' | H13 | 119.9° | 120.0° |
| C5' | C4' | O4' | C1' | 139.0° | 159.3° |
| C4' | C5' | O5' | P | 178.5° | 180.0° |
| C5' | C4' | C3' | H9 | 17.9° | 24.2° |
| C4' | C5' | H12 | H13 | 120.2° | 120.1° |
| O4' | C4' | C5' | O5' | 51.9° | 69.7° |
| C4' | O4' | C1' | C2' | 12.5° | 40.5° |
| C4' | O4' | C1' | N1 | 133.6° | 159.3° |
| C4' | O4' | C1' | H6 | 105.7° | 78.4° |
| O4' | C4' | C3' | H9 | 102.6° | 94.6° |
| O4' | C4' | C5' | H12 | 68.1° | 170.4° |
| O4' | C4' | C5' | H13 | 171.8° | 50.3° |
| C5' | O5' | P | OP2 | 17.2° | 165.0° |
| C5' | O5' | P | OP1 | 138.6° | 89.7° |
| O5' | C5' | C4' | H11 | 173.1° | 52.7° |
| O5' | C5' | H12 | H13 | 120.2° | 120.0° |
| C2' | C1' | O4' | N1 | 121.1° | 118.8° |
| C2' | C1' | O4' | H6 | 118.2° | 118.9° |
| C2' | C1' | N1 | H6 | 119.3° | 122.3° |
| C2' | C1' | N1 | C2 | 117.0° | 116.6° |
| C2' | C1' | N1 | C6 | 63.1° | 63.2° |
| C1' | C2' | H7 | H8 | 122.0° | 122.6° |
| C1' | C2' | C3' | H9 | 110.0° | 118.6° |
| O4' | C1' | N1 | H6 | 121.0° | 122.2° |
| O4' | C1' | N1 | C2 | 123.2° | 127.9° |
| O4' | C1' | N1 | C6 | 56.6° | 52.3° |
| O4' | C1' | C2' | H7 | 117.3° | 142.6° |
| O4' | C1' | C2' | H8 | 121.3° | 94.8° |
| C1' | O4' | C4' | H11 | 100.6° | 78.4° |
| C1' | N1 | C2 | C6 | 179.8° | 179.8° |
| C1' | N1 | C2 | O2 | 0.1° | 0.1° |
| C1' | N1 | C2 | N3 | 179.9° | 180.0° |
| C1' | N1 | C6 | C5 | 179.8° | 180.0° |
| C1' | N1 | C6 | H5 | 0.2° | 0.0° |
| N1 | C1' | C2' | H7 | 3.9° | 98.6° |
| N1 | C1' | C2' | H8 | 117.4° | 24.0° |
| O5' | P | OP2 | OP1 | 120.6° | 105.2° |
| P | O5' | C5' | H12 | 58.6° | 60.0° |
| P | O5' | C5' | H13 | 61.5° | 60.0° |
| O5' | P | OP1 | H14 | 180.0° | 180.0° |
| O5' | P | OP2 | H15 | 180.0° | 180.0° |
| OP2 | P | OP1 | H14 | 58.7° | 74.7° |
| OP1 | P | OP2 | H15 | 59.5° | 74.8° |
| N1 | C2 | O2 | N3 | 179.8° | 179.8° |
| C2 | N1 | C6 | C5 | 0.3° | 0.2° |
| N1 | C2 | N3 | C4 | 0.3° | 0.1° |
| N1 | C2 | N3 | C3 | 179.8° | 180.0° |
| C2 | N1 | C6 | H5 | 179.7° | 179.8° |
| C2 | N1 | C1' | H6 | 2.2° | 5.7° |
| C6 | N1 | C2 | O2 | 179.8° | 179.7° |
| C6 | N1 | C2 | N3 | 0.1° | 0.1° |
| N1 | C6 | C5 | H5 | 180.0° | 180.0° |
| N1 | C6 | C5 | C7 | 179.9° | 180.0° |
| N1 | C6 | C5 | C4 | 0.3° | 0.0° |
| C6 | N1 | C1' | H6 | 177.6° | 174.5° |
| O2 | C2 | N3 | C4 | 179.9° | 179.9° |
| O2 | C2 | N3 | C3 | 0.4° | 0.1° |
| C2 | N3 | C4 | C5 | 0.3° | 0.3° |
| C2 | N3 | C4 | C3 | 179.5° | 179.9° |
| C2 | N3 | C4 | O4 | 179.9° | 179.9° |
| C2 | N3 | C3 | C1 | 111.2° | 90.0° |
| C2 | N3 | C3 | H19 | 128.4° | 29.9° |
| C2 | N3 | C3 | H20 | 9.1° | 149.9° |
| C6 | C5 | C7 | C4 | 179.8° | 180.0° |
| C6 | C5 | C4 | N3 | 0.0° | 0.3° |
| C6 | C5 | C4 | O4 | 179.9° | 179.9° |
| C6 | C5 | C7 | H2 | 180.0° | 180.0° |
| C6 | C5 | C7 | H3 | 60.0° | 59.9° |
| C6 | C5 | C7 | H4 | 60.0° | 60.0° |
| C7 | C5 | C4 | N3 | 179.8° | 179.8° |
| C7 | C5 | C4 | O4 | 0.1° | 0.0° |
| C5 | C7 | H2 | H3 | 120.0° | 120.0° |
| C5 | C7 | H2 | H4 | 120.0° | 120.0° |
| C5 | C7 | H3 | H4 | 120.0° | 119.9° |
| C7 | C5 | C6 | H5 | 0.1° | 0.0° |
| C5 | C4 | N3 | O4 | 179.9° | 179.8° |
| C5 | C4 | N3 | C3 | 179.8° | 179.8° |
| C4 | C5 | C7 | H2 | 0.2° | 0.0° |
| C4 | C5 | C7 | H3 | 119.8° | 120.1° |
| C4 | C5 | C7 | H4 | 120.2° | 120.0° |
| C4 | C5 | C6 | H5 | 179.7° | 180.0° |
| C4 | N3 | C3 | C1 | 69.3° | 90.0° |
| C4 | N3 | C3 | H19 | 51.1° | 150.0° |
| C4 | N3 | C3 | H20 | 170.4° | 30.0° |
| C3 | N3 | C4 | O4 | 0.4° | 0.0° |
| N3 | C3 | C1 | H19 | 120.3° | 120.0° |
| N3 | C3 | C1 | H20 | 120.4° | 120.0° |
| N3 | C3 | C1 | O21 | 49.7° | 0.0° |
| N3 | C3 | C1 | N | 131.1° | 180.0° |
| N3 | C3 | H19 | H20 | 118.8° | 120.0° |
| C3 | C1 | O21 | N | 179.1° | 180.0° |
| C3 | C1 | N | CA' | 109.9° | 180.0° |
| C3 | C1 | N | H1 | 70.1° | 0.2° |
| C1 | C3 | H19 | H20 | 118.9° | 120.0° |
| O21 | C1 | N | CA' | 71.0° | 0.0° |
| O21 | C1 | N | H1 | 109.1° | 179.8° |
| O21 | C1 | C3 | H19 | 170.0° | 120.0° |
| O21 | C1 | C3 | H20 | 70.7° | 120.0° |
| C1 | N | CA' | H1 | 180.0° | 179.8° |
| C1 | N | CA' | H16 | 180.0° | 60.3° |
| C1 | N | CA' | H17 | 60.0° | 179.7° |
| C1 | N | CA' | H18 | 60.0° | 59.8° |
| N | C1 | C3 | H19 | 10.8° | 60.0° |
| N | C1 | C3 | H20 | 108.5° | 60.0° |
| N | CA' | H16 | H17 | 120.0° | 120.0° |
| N | CA' | H16 | H18 | 120.0° | 120.1° |
| N | CA' | H17 | H18 | 120.0° | 120.0° |
| H1 | N | CA' | H16 | 0.0° | 119.9° |
| H1 | N | CA' | H17 | 120.1° | 0.1° |
| H1 | N | CA' | H18 | 120.0° | 120.0° |
| H2 | C7 | H3 | H4 | 120.0° | 120.0° |
| H6 | C1' | C2' | H7 | 123.6° | 23.7° |
| H6 | C1' | C2' | H8 | 2.3° | 146.3° |
| H7 | C2' | C3' | H9 | 9.3° | 122.7° |
| H8 | C2' | C3' | H9 | 130.6° | 0.1° |
| H9 | C3' | O3' | H10 | 58.4° | 57.3° |
| H9 | C3' | C4' | H11 | 138.2° | 146.5° |
| H11 | C4' | C5' | H12 | 53.1° | 67.2° |
| H11 | C4' | C5' | H13 | 67.0° | 172.7° |
| H16 | CA' | H17 | H18 | 120.0° | 120.0° |
