D1I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.40Å | |
| O4' | C4' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.53Å | 1.51Å | |
| C3' | C2' | sing | 1.53Å | 1.54Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.53Å | 1.51Å | |
| O6' | C6' | sing | 1.43Å | 1.41Å | |
| C5' | C6' | sing | 1.53Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C1' | O5' | sing | 1.43Å | 1.47Å | |
| C1' | N1 | sing | 1.47Å | 1.46Å | |
| C6 | N1 | sing | 1.35Å | 1.42Å | |
| C6 | C5 | doub | 1.38Å | 1.33Å | |
| N1 | C2 | sing | 1.34Å | 1.35Å | |
| C5 | C7 | sing | 1.47Å | 1.33Å | |
| C5 | C4 | sing | 1.42Å | 1.39Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | N3 | sing | 1.33Å | 1.37Å | |
| C7 | C8 | doub | 1.34Å | 1.37Å | |
| N3 | C4 | doub | 1.32Å | 1.44Å | |
| C4 | O5 | sing | 1.34Å | 1.39Å | |
| C8 | O5 | sing | 1.35Å | 1.37Å | |
| C8 | C9 | sing | 1.51Å | 1.57Å | |
| C9 | C10 | sing | 1.53Å | 1.58Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C10 | H110 | sing | 1.09Å | 1.10Å | |
| C10 | H210 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H211 | sing | 1.09Å | 1.10Å | |
| C12 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H212 | sing | 1.09Å | 1.10Å | |
| C13 | H113 | sing | 1.09Å | 1.10Å | |
| C13 | H213 | sing | 1.09Å | 1.10Å | |
| C13 | H313 | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | HO4' | sing | 0.97Å | 0.95Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C6' | H16' | sing | 1.09Å | 1.10Å | |
| C6' | H26' | sing | 1.09Å | 1.10Å | |
| O6' | HO6' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 107.2° | 109.6° |
| O3' | C3' | C2' | 111.1° | 109.5° |
| O3' | C3' | H3' | 111.0° | 109.6° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O4' | C4' | C3' | 109.0° | 109.6° |
| O4' | C4' | C5' | 111.1° | 109.5° |
| O4' | C4' | H4' | 108.6° | 109.6° |
| C4' | O4' | HO4' | 109.5° | 114.0° |
| C4' | C3' | C2' | 109.2° | 109.0° |
| C3' | C4' | C5' | 113.1° | 109.2° |
| C4' | C3' | H3' | 109.3° | 109.6° |
| C3' | C4' | H4' | 107.6° | 109.5° |
| C3' | C2' | O2' | 112.6° | 109.6° |
| C3' | C2' | C1' | 106.4° | 109.2° |
| C3' | C2' | H2' | 108.4° | 109.5° |
| C2' | C3' | H3' | 109.0° | 109.5° |
| C4' | C5' | C6' | 110.9° | 109.5° |
| C4' | C5' | O5' | 110.6° | 109.4° |
| C5' | C4' | H4' | 107.3° | 109.5° |
| C4' | C5' | H5' | 109.7° | 109.4° |
| O2' | C2' | C1' | 110.8° | 109.5° |
| O2' | C2' | H2' | 109.8° | 109.5° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C2' | C1' | O5' | 111.2° | 109.4° |
| C2' | C1' | N1 | 116.4° | 109.5° |
| C2' | C1' | H1' | 105.3° | 109.5° |
| C1' | C2' | H2' | 108.8° | 109.5° |
| O6' | C6' | C5' | 112.2° | 109.5° |
| O6' | C6' | H16' | 108.8° | 109.5° |
| O6' | C6' | H26' | 108.8° | 109.5° |
| C6' | O6' | HO6' | 109.5° | 114.0° |
| C6' | C5' | O5' | 104.3° | 109.5° |
| C6' | C5' | H5' | 110.0° | 109.5° |
| C5' | C6' | H16' | 108.8° | 109.5° |
| C5' | C6' | H26' | 108.8° | 109.5° |
| C5' | O5' | C1' | 107.7° | 114.1° |
| O5' | C5' | H5' | 111.4° | 109.5° |
| O5' | C1' | N1 | 111.3° | 109.5° |
| O5' | C1' | H1' | 105.8° | 109.5° |
| C1' | N1 | C6 | 121.7° | 119.7° |
| C1' | N1 | C2 | 115.8° | 119.8° |
| N1 | C1' | H1' | 105.9° | 109.4° |
| N1 | C6 | C5 | 117.9° | 118.5° |
| C6 | N1 | C2 | 122.1° | 120.4° |
| N1 | C6 | H6 | 121.1° | 120.7° |
| C6 | C5 | C7 | 135.6° | 135.3° |
| C6 | C5 | C4 | 119.5° | 119.4° |
| C5 | C6 | H6 | 121.0° | 120.7° |
| N1 | C2 | O2 | 123.7° | 119.0° |
| N1 | C2 | N3 | 120.3° | 122.0° |
| C7 | C5 | C4 | 103.0° | 105.4° |
| C5 | C7 | C8 | 108.7° | 106.1° |
| C5 | C7 | H7 | 125.6° | 127.0° |
| C5 | C4 | N3 | 119.5° | 118.9° |
| C5 | C4 | O5 | 111.9° | 106.9° |
| O2 | C2 | N3 | 115.7° | 119.0° |
| C2 | N3 | C4 | 115.5° | 120.7° |
| C7 | C8 | O5 | 111.5° | 110.4° |
| C7 | C8 | C9 | 122.9° | 124.8° |
| C8 | C7 | H7 | 125.6° | 126.9° |
| N3 | C4 | O5 | 118.7° | 134.1° |
| C4 | O5 | C8 | 99.7° | 111.2° |
| O5 | C8 | C9 | 125.5° | 124.8° |
| C8 | C9 | C10 | 112.8° | 109.4° |
| C8 | C9 | H19 | 108.6° | 109.5° |
| C8 | C9 | H29 | 108.6° | 109.5° |
| C9 | C10 | C11 | 113.7° | 109.5° |
| C10 | C9 | H19 | 108.6° | 109.5° |
| C10 | C9 | H29 | 108.6° | 109.5° |
| C9 | C10 | H110 | 108.4° | 109.4° |
| C9 | C10 | H210 | 108.4° | 109.5° |
| C10 | C11 | C12 | 113.8° | 109.5° |
| C11 | C10 | H110 | 108.4° | 109.5° |
| C11 | C10 | H210 | 108.4° | 109.5° |
| C10 | C11 | H111 | 108.4° | 109.5° |
| C10 | C11 | H211 | 108.4° | 109.5° |
| C11 | C12 | C13 | 110.3° | 109.5° |
| C12 | C11 | H111 | 108.4° | 109.5° |
| C12 | C11 | H211 | 108.4° | 109.5° |
| C11 | C12 | H112 | 109.3° | 109.5° |
| C11 | C12 | H212 | 109.3° | 109.5° |
| C13 | C12 | H112 | 109.3° | 109.5° |
| C13 | C12 | H212 | 109.3° | 109.5° |
| C12 | C13 | H113 | 109.5° | 109.5° |
| C12 | C13 | H213 | 109.5° | 109.5° |
| C12 | C13 | H313 | 109.5° | 109.5° |
| H19 | C9 | H29 | 109.5° | 109.5° |
| H110 | C10 | H210 | 109.5° | 109.5° |
| H111 | C11 | H211 | 109.5° | 109.5° |
| H112 | C12 | H212 | 109.5° | 109.5° |
| H113 | C13 | H213 | 109.4° | 109.5° |
| H113 | C13 | H313 | 109.5° | 109.4° |
| H213 | C13 | H313 | 109.5° | 109.5° |
| H16' | C6' | H26' | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C4' | O4' | 64.2° | 63.2° |
| O3' | C3' | C4' | C2' | 120.5° | 119.9° |
| O3' | C3' | C4' | H3' | 120.4° | 120.3° |
| O3' | C3' | C2' | H3' | 122.6° | 120.2° |
| O3' | C3' | C4' | C5' | 171.6° | 176.8° |
| O3' | C3' | C2' | O2' | 65.3° | 63.2° |
| O3' | C3' | C2' | C1' | 173.2° | 176.9° |
| O3' | C3' | C2' | H2' | 56.3° | 57.0° |
| O3' | C3' | C4' | H4' | 53.3° | 57.0° |
| O4' | C4' | C3' | C5' | 124.1° | 119.9° |
| O4' | C4' | C3' | H4' | 117.6° | 120.2° |
| O4' | C4' | C3' | C2' | 175.2° | 176.9° |
| O4' | C4' | C5' | H4' | 118.6° | 120.2° |
| O4' | C4' | C5' | C6' | 67.9° | 62.5° |
| O4' | C4' | C5' | O5' | 177.0° | 177.5° |
| O4' | C4' | C3' | H3' | 56.1° | 57.0° |
| O4' | C4' | C5' | H5' | 53.8° | 57.6° |
| C4' | C3' | C2' | H3' | 119.3° | 119.9° |
| C3' | C4' | C5' | H4' | 118.5° | 119.9° |
| C4' | C3' | C2' | O2' | 176.6° | 176.9° |
| C4' | C3' | C2' | C1' | 55.1° | 57.0° |
| C3' | C4' | C5' | C6' | 169.2° | 177.6° |
| C3' | C4' | C5' | O5' | 54.0° | 57.6° |
| C4' | C3' | C2' | H2' | 61.7° | 62.9° |
| C4' | C3' | O3' | HO3' | 180.0° | 60.0° |
| C3' | C4' | O4' | HO4' | 180.0° | 60.0° |
| C3' | C4' | C5' | H5' | 69.2° | 62.4° |
| C2' | C3' | C4' | C5' | 51.1° | 57.0° |
| C3' | C2' | O2' | C1' | 118.9° | 119.7° |
| C3' | C2' | O2' | H2' | 120.9° | 120.2° |
| C3' | C2' | C1' | H2' | 116.5° | 119.9° |
| C3' | C2' | C1' | O5' | 65.4° | 57.6° |
| C3' | C2' | C1' | N1 | 165.7° | 177.6° |
| C3' | C2' | C1' | H1' | 48.8° | 62.4° |
| C3' | C2' | O2' | HO2' | 180.0° | 60.3° |
| C2' | C3' | O3' | HO3' | 60.7° | 179.5° |
| C2' | C3' | C4' | H4' | 67.2° | 62.9° |
| C4' | C5' | C6' | O6' | 43.7° | 175.0° |
| C4' | C5' | C6' | O5' | 119.0° | 119.9° |
| C4' | C5' | C6' | H5' | 121.5° | 120.0° |
| C4' | C5' | O5' | H5' | 122.2° | 119.9° |
| C4' | C5' | O5' | C1' | 59.6° | 61.1° |
| C5' | C4' | C3' | H3' | 68.0° | 62.9° |
| C5' | C4' | O4' | HO4' | 54.7° | 179.7° |
| C4' | C5' | C6' | H16' | 76.7° | 55.0° |
| C4' | C5' | C6' | H26' | 164.1° | 65.0° |
| O2' | C2' | C1' | H2' | 120.8° | 120.1° |
| O2' | C2' | C1' | O5' | 172.0° | 177.6° |
| O2' | C2' | C1' | N1 | 43.1° | 62.5° |
| O2' | C2' | C1' | H1' | 73.9° | 57.5° |
| O2' | C2' | C3' | H3' | 57.2° | 57.0° |
| C2' | C1' | O5' | C5' | 68.6° | 61.2° |
| C2' | C1' | O5' | N1 | 131.5° | 120.0° |
| C2' | C1' | O5' | H1' | 113.9° | 120.0° |
| C2' | C1' | N1 | H1' | 116.7° | 120.0° |
| C2' | C1' | N1 | C6 | 45.5° | 114.8° |
| C2' | C1' | N1 | C2 | 141.1° | 64.9° |
| C1' | C2' | O2' | HO2' | 61.0° | 180.0° |
| C1' | C2' | C3' | H3' | 64.2° | 62.9° |
| O6' | C6' | C5' | H16' | 120.4° | 120.0° |
| O6' | C6' | C5' | H26' | 120.4° | 120.0° |
| O6' | C6' | C5' | O5' | 75.3° | 65.0° |
| O6' | C6' | C5' | H5' | 165.2° | 55.0° |
| O6' | C6' | H16' | H26' | 118.8° | 120.0° |
| C6' | C5' | O5' | H5' | 118.6° | 120.1° |
| C6' | C5' | O5' | C1' | 178.8° | 178.9° |
| C6' | C5' | C4' | H4' | 50.7° | 57.7° |
| C5' | C6' | H16' | H26' | 118.8° | 120.0° |
| C5' | C6' | O6' | HO6' | 180.0° | 180.0° |
| C5' | O5' | C1' | N1 | 159.8° | 178.9° |
| C5' | O5' | C1' | H1' | 45.3° | 58.9° |
| O5' | C5' | C4' | H4' | 64.4° | 62.3° |
| O5' | C5' | C6' | H16' | 164.3° | 174.9° |
| O5' | C5' | C6' | H26' | 45.1° | 54.9° |
| O5' | C1' | N1 | H1' | 114.5° | 120.0° |
| O5' | C1' | N1 | C6 | 83.4° | 125.3° |
| O5' | C1' | N1 | C2 | 90.1° | 55.0° |
| O5' | C1' | C2' | H2' | 51.1° | 62.3° |
| C1' | O5' | C5' | H5' | 62.6° | 58.8° |
| C1' | N1 | C6 | C2 | 173.0° | 179.7° |
| C1' | N1 | C6 | C5 | 177.8° | 179.7° |
| C1' | N1 | C2 | O2 | 6.8° | 0.3° |
| C1' | N1 | C2 | N3 | 179.8° | 179.7° |
| C1' | N1 | C6 | H6 | 2.2° | 0.3° |
| N1 | C1' | C2' | H2' | 77.7° | 57.7° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | C7 | 175.4° | 180.0° |
| N1 | C6 | C5 | C4 | 14.2° | 0.0° |
| C6 | N1 | C2 | O2 | 179.7° | 180.0° |
| C6 | N1 | C2 | N3 | 6.4° | 0.0° |
| C6 | N1 | C1' | H1' | 162.1° | 5.2° |
| C5 | C6 | N1 | C2 | 4.8° | 0.0° |
| C6 | C5 | C7 | C4 | 163.3° | 180.0° |
| C6 | C5 | C7 | C8 | 176.3° | 180.0° |
| C6 | C5 | C4 | N3 | 25.3° | 0.0° |
| C6 | C5 | C4 | O5 | 170.5° | 180.0° |
| C6 | C5 | C7 | H7 | 3.7° | 0.0° |
| N1 | C2 | O2 | N3 | 173.6° | 180.0° |
| N1 | C2 | N3 | C4 | 16.3° | 0.0° |
| C2 | N1 | C6 | H6 | 175.2° | 180.0° |
| C2 | N1 | C1' | H1' | 24.4° | 175.1° |
| C5 | C7 | C8 | H7 | 180.0° | 179.9° |
| C7 | C5 | C4 | N3 | 168.1° | 180.0° |
| C7 | C5 | C4 | O5 | 22.8° | 0.1° |
| C5 | C7 | C8 | O5 | 0.3° | 0.0° |
| C5 | C7 | C8 | C9 | 176.9° | 180.0° |
| C7 | C5 | C6 | H6 | 4.6° | 0.0° |
| C5 | C4 | N3 | C2 | 25.8° | 0.0° |
| C4 | C5 | C7 | C8 | 13.1° | 0.0° |
| C5 | C4 | N3 | O5 | 142.9° | 179.9° |
| C5 | C4 | O5 | C8 | 22.2° | 0.1° |
| C4 | C5 | C6 | H6 | 165.8° | 180.0° |
| C4 | C5 | C7 | H7 | 166.9° | 180.0° |
| O2 | C2 | N3 | C4 | 169.8° | 180.0° |
| C2 | N3 | C4 | O5 | 168.7° | 179.9° |
| C7 | C8 | O5 | C4 | 13.4° | 0.0° |
| C7 | C8 | O5 | C9 | 176.5° | 180.0° |
| C7 | C8 | C9 | C10 | 134.2° | 95.0° |
| C7 | C8 | C9 | H19 | 105.4° | 145.0° |
| C7 | C8 | C9 | H29 | 13.7° | 25.0° |
| N3 | C4 | O5 | C8 | 167.8° | 180.0° |
| C4 | O5 | C8 | C9 | 170.1° | 180.0° |
| O5 | C8 | C9 | C10 | 42.0° | 85.0° |
| O5 | C8 | C7 | H7 | 179.7° | 179.9° |
| O5 | C8 | C9 | H19 | 78.5° | 35.0° |
| O5 | C8 | C9 | H29 | 162.5° | 155.0° |
| C8 | C9 | C10 | H19 | 120.5° | 120.0° |
| C8 | C9 | C10 | H29 | 120.5° | 120.0° |
| C8 | C9 | C10 | C11 | 117.6° | 180.0° |
| C9 | C8 | C7 | H7 | 3.0° | 0.0° |
| C8 | C9 | H19 | H29 | 118.5° | 120.0° |
| C8 | C9 | C10 | H110 | 121.8° | 60.0° |
| C8 | C9 | C10 | H210 | 3.0° | 60.0° |
| C9 | C10 | C11 | H110 | 120.6° | 119.9° |
| C9 | C10 | C11 | H210 | 120.6° | 120.0° |
| C9 | C10 | C11 | C12 | 36.8° | 180.0° |
| C10 | C9 | H19 | H29 | 118.5° | 120.0° |
| C9 | C10 | H110 | H210 | 118.1° | 120.0° |
| C9 | C10 | C11 | H111 | 157.4° | 60.0° |
| C9 | C10 | C11 | H211 | 83.9° | 60.0° |
| C10 | C11 | C12 | H111 | 120.6° | 120.0° |
| C10 | C11 | C12 | H211 | 120.6° | 120.0° |
| C10 | C11 | C12 | C13 | 163.9° | 180.0° |
| C11 | C10 | C9 | H19 | 2.9° | 60.0° |
| C11 | C10 | C9 | H29 | 121.9° | 60.0° |
| C11 | C10 | H110 | H210 | 118.1° | 120.0° |
| C10 | C11 | H111 | H211 | 118.1° | 120.0° |
| C10 | C11 | C12 | H112 | 76.0° | 60.0° |
| C10 | C11 | C12 | H212 | 43.8° | 60.0° |
| C11 | C12 | C13 | H112 | 120.1° | 120.0° |
| C11 | C12 | C13 | H212 | 120.1° | 120.0° |
| C12 | C11 | C10 | H110 | 83.8° | 60.0° |
| C12 | C11 | C10 | H210 | 157.4° | 60.0° |
| C12 | C11 | H111 | H211 | 118.0° | 120.0° |
| C11 | C12 | H112 | H212 | 119.6° | 120.0° |
| C11 | C12 | C13 | H113 | 180.0° | 60.0° |
| C11 | C12 | C13 | H213 | 60.0° | 60.0° |
| C11 | C12 | C13 | H313 | 60.0° | 180.0° |
| C13 | C12 | C11 | H111 | 43.3° | 60.0° |
| C13 | C12 | C11 | H211 | 75.4° | 60.0° |
| C13 | C12 | H112 | H212 | 119.6° | 120.0° |
| C12 | C13 | H113 | H213 | 120.0° | 120.0° |
| C12 | C13 | H113 | H313 | 120.0° | 120.0° |
| C12 | C13 | H213 | H313 | 120.0° | 120.0° |
| H19 | C9 | C10 | H110 | 117.7° | 180.0° |
| H19 | C9 | C10 | H210 | 123.5° | 60.0° |
| H29 | C9 | C10 | H110 | 1.3° | 60.0° |
| H29 | C9 | C10 | H210 | 117.5° | 180.0° |
| H1' | C1' | C2' | H2' | 165.3° | 177.6° |
| H110 | C10 | C11 | H111 | 36.8° | 180.0° |
| H110 | C10 | C11 | H211 | 155.5° | 60.0° |
| H210 | C10 | C11 | H111 | 82.0° | 60.0° |
| H210 | C10 | C11 | H211 | 36.8° | 180.0° |
| H111 | C11 | C12 | H112 | 163.4° | 180.0° |
| H111 | C11 | C12 | H212 | 76.8° | 60.0° |
| H211 | C11 | C12 | H112 | 44.7° | 60.0° |
| H211 | C11 | C12 | H212 | 164.5° | 180.0° |
| H112 | C12 | C13 | H113 | 59.9° | 180.0° |
| H112 | C12 | C13 | H213 | 179.9° | 60.0° |
| H112 | C12 | C13 | H313 | 60.1° | 60.0° |
| H212 | C12 | C13 | H113 | 59.9° | 60.0° |
| H212 | C12 | C13 | H213 | 60.1° | 180.0° |
| H212 | C12 | C13 | H313 | 179.9° | 60.0° |
| H113 | C13 | H213 | H313 | 120.0° | 119.9° |
| H2' | C2' | O2' | HO2' | 59.2° | 59.9° |
| H2' | C2' | C3' | H3' | 178.9° | 177.2° |
| H3' | C3' | O3' | HO3' | 60.7° | 60.3° |
| H3' | C3' | C4' | H4' | 173.7° | 177.2° |
| H4' | C4' | O4' | HO4' | 63.0° | 60.1° |
| H4' | C4' | C5' | H5' | 172.4° | 177.7° |
| H5' | C5' | C6' | H16' | 44.8° | 65.0° |
| H5' | C5' | C6' | H26' | 74.4° | 175.0° |
| H16' | C6' | O6' | HO6' | 59.6° | 59.9° |
| H26' | C6' | O6' | HO6' | 59.6° | 60.0° |
