94T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OCU | PCS | doub | 1.48Å | 1.48Å | |
| CBH | CBG | sing | 1.53Å | 1.52Å | |
| O5' | PCS | sing | 1.61Å | 1.59Å | |
| O5' | C5' | sing | 1.43Å | 1.41Å | |
| PCS | OCT | sing | 1.61Å | 1.47Å | |
| PCS | OCV | sing | 1.61Å | 1.65Å | |
| CBG | CBF | sing | 1.53Å | 1.50Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | C3' | sing | 1.54Å | 1.55Å | |
| O4' | C1' | sing | 1.44Å | 1.45Å | |
| O2 | C2 | doub | 1.22Å | 1.23Å | |
| O3' | C3' | sing | 1.43Å | 1.46Å | |
| C1' | N1 | sing | 1.46Å | 1.50Å | |
| C1' | C2' | sing | 1.55Å | 1.51Å | |
| C2 | N1 | sing | 1.34Å | 1.35Å | |
| C2 | N3 | sing | 1.35Å | 1.38Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| OCV | PCW | sing | 1.61Å | 1.58Å | |
| CBF | OCZ | sing | 1.43Å | 1.39Å | |
| N1 | C6 | sing | 1.37Å | 1.37Å | |
| N3 | C4 | sing | 1.35Å | 1.39Å | |
| OCY | PCW | doub | 1.48Å | 1.47Å | |
| OCZ | PCW | sing | 1.61Å | 1.54Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C6 | C5 | doub | 1.35Å | 1.38Å | |
| C4 | C5 | sing | 1.42Å | 1.38Å | |
| C4 | O4 | doub | 1.22Å | 1.24Å | |
| PCW | OCX | sing | 1.61Å | 1.47Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C1' | H4 | sing | 1.09Å | 1.10Å | |
| C2' | H5 | sing | 1.09Å | 1.10Å | |
| O2' | H6 | sing | 0.97Å | 0.95Å | |
| C3' | H7 | sing | 1.09Å | 1.10Å | |
| O3' | H8 | sing | 0.97Å | 0.95Å | |
| C4' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| OCT | H12 | sing | 0.97Å | 0.95Å | |
| OCX | H13 | sing | 0.97Å | 0.95Å | |
| CBF | H14 | sing | 1.09Å | 1.10Å | |
| CBF | H15 | sing | 1.09Å | 1.10Å | |
| CBG | H16 | sing | 1.09Å | 1.10Å | |
| CBG | H17 | sing | 1.09Å | 1.10Å | |
| CBH | H18 | sing | 1.09Å | 1.10Å | |
| CBH | H19 | sing | 1.09Å | 1.10Å | |
| CBH | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OCU | PCS | O5' | 110.1° | 109.5° |
| OCU | PCS | OCT | 119.6° | 109.5° |
| OCU | PCS | OCV | 113.3° | 109.5° |
| CBH | CBG | CBF | 109.5° | 109.5° |
| CBH | CBG | H16 | 109.5° | 109.5° |
| CBH | CBG | H17 | 109.5° | 109.5° |
| CBG | CBH | H18 | 109.5° | 109.5° |
| CBG | CBH | H19 | 109.5° | 109.5° |
| CBG | CBH | H20 | 109.5° | 109.5° |
| PCS | O5' | C5' | 123.6° | 123.0° |
| O5' | PCS | OCT | 108.9° | 109.5° |
| O5' | PCS | OCV | 95.5° | 109.5° |
| O5' | C5' | C4' | 109.5° | 109.5° |
| O5' | C5' | H10 | 109.5° | 109.5° |
| O5' | C5' | H11 | 109.4° | 109.5° |
| OCT | PCS | OCV | 106.8° | 109.5° |
| PCS | OCT | H12 | 109.5° | 114.0° |
| PCS | OCV | PCW | 129.7° | 134.0° |
| CBG | CBF | OCZ | 106.9° | 109.5° |
| CBG | CBF | H14 | 110.1° | 109.5° |
| CBG | CBF | H15 | 110.1° | 109.5° |
| CBF | CBG | H16 | 109.4° | 109.5° |
| CBF | CBG | H17 | 109.4° | 109.4° |
| O4' | C4' | C5' | 103.5° | 109.9° |
| O4' | C4' | C3' | 106.6° | 107.3° |
| C4' | O4' | C1' | 106.4° | 107.0° |
| O4' | C4' | H9 | 112.0° | 109.9° |
| C5' | C4' | C3' | 113.4° | 109.9° |
| C5' | C4' | H9 | 110.8° | 109.9° |
| C4' | C5' | H10 | 109.5° | 109.5° |
| C4' | C5' | H11 | 109.5° | 109.5° |
| C4' | C3' | O3' | 111.2° | 110.6° |
| C4' | C3' | C2' | 102.8° | 104.2° |
| C4' | C3' | H7 | 109.6° | 110.4° |
| C3' | C4' | H9 | 110.4° | 110.0° |
| O4' | C1' | N1 | 102.7° | 110.6° |
| O4' | C1' | C2' | 104.5° | 103.4° |
| O4' | C1' | H4 | 111.4° | 110.7° |
| O2 | C2 | N1 | 121.9° | 119.6° |
| O2 | C2 | N3 | 117.7° | 119.5° |
| O3' | C3' | C2' | 112.1° | 110.5° |
| O3' | C3' | H7 | 110.7° | 110.4° |
| C3' | O3' | H8 | 109.5° | 114.0° |
| N1 | C1' | C2' | 116.6° | 110.6° |
| C1' | N1 | C2 | 119.8° | 119.7° |
| C1' | N1 | C6 | 121.0° | 119.7° |
| N1 | C1' | H4 | 110.6° | 110.6° |
| C1' | C2' | C3' | 100.1° | 102.1° |
| C1' | C2' | O2' | 110.4° | 110.9° |
| C2' | C1' | H4 | 110.6° | 110.6° |
| C1' | C2' | H5 | 111.1° | 110.9° |
| N1 | C2 | N3 | 120.3° | 120.9° |
| C2 | N1 | C6 | 119.2° | 120.7° |
| C2 | N3 | C4 | 120.5° | 120.3° |
| C2 | N3 | H3 | 119.8° | 119.9° |
| C3' | C2' | O2' | 111.1° | 110.9° |
| C3' | C2' | H5 | 111.2° | 111.0° |
| C2' | C3' | H7 | 110.1° | 110.5° |
| OCV | PCW | OCY | 107.8° | 109.5° |
| OCV | PCW | OCZ | 98.4° | 109.5° |
| OCV | PCW | OCX | 105.4° | 109.5° |
| CBF | OCZ | PCW | 127.6° | 123.0° |
| OCZ | CBF | H14 | 110.1° | 109.4° |
| OCZ | CBF | H15 | 110.1° | 109.4° |
| N1 | C6 | C5 | 122.3° | 119.7° |
| N1 | C6 | H2 | 118.9° | 120.1° |
| N3 | C4 | C5 | 118.9° | 119.4° |
| N3 | C4 | O4 | 120.4° | 120.3° |
| C4 | N3 | H3 | 119.7° | 119.9° |
| OCY | PCW | OCZ | 112.8° | 109.5° |
| OCY | PCW | OCX | 119.7° | 109.4° |
| OCZ | PCW | OCX | 110.3° | 109.4° |
| O2' | C2' | H5 | 112.3° | 110.8° |
| C2' | O2' | H6 | 109.5° | 114.0° |
| C6 | C5 | C4 | 118.7° | 119.1° |
| C6 | C5 | H1 | 120.7° | 120.4° |
| C5 | C6 | H2 | 118.8° | 120.2° |
| C5 | C4 | O4 | 120.6° | 120.3° |
| C4 | C5 | H1 | 120.6° | 120.5° |
| PCW | OCX | H13 | 109.5° | 114.0° |
| H10 | C5' | H11 | 109.5° | 109.4° |
| H14 | CBF | H15 | 109.5° | 109.5° |
| H16 | CBG | H17 | 109.5° | 109.5° |
| H18 | CBH | H19 | 109.5° | 109.4° |
| H18 | CBH | H20 | 109.4° | 109.5° |
| H19 | CBH | H20 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OCU | PCS | O5' | OCT | 132.9° | 120.0° |
| OCU | PCS | O5' | OCV | 117.2° | 120.0° |
| OCU | PCS | O5' | C5' | 178.7° | 55.0° |
| OCU | PCS | OCT | OCV | 130.3° | 120.0° |
| OCU | PCS | OCV | PCW | 41.5° | 40.0° |
| OCU | PCS | OCT | H12 | 0.0° | 180.0° |
| CBH | CBG | CBF | H16 | 120.0° | 120.0° |
| CBH | CBG | CBF | H17 | 120.0° | 120.0° |
| CBH | CBG | CBF | OCZ | 176.5° | 180.0° |
| CBH | CBG | CBF | H14 | 56.9° | 60.1° |
| CBH | CBG | CBF | H15 | 63.9° | 60.0° |
| CBH | CBG | H16 | H17 | 120.0° | 120.0° |
| CBG | CBH | H18 | H19 | 120.0° | 120.0° |
| CBG | CBH | H18 | H20 | 120.0° | 120.0° |
| CBG | CBH | H19 | H20 | 120.0° | 120.0° |
| O5' | PCS | OCT | OCV | 102.0° | 120.0° |
| PCS | O5' | C5' | C4' | 159.3° | 180.0° |
| O5' | PCS | OCV | PCW | 156.1° | 160.0° |
| PCS | O5' | C5' | H10 | 80.7° | 60.0° |
| PCS | O5' | C5' | H11 | 39.2° | 60.0° |
| O5' | PCS | OCT | H12 | 127.7° | 60.0° |
| C5' | O5' | PCS | OCT | 45.8° | 65.0° |
| C5' | O5' | PCS | OCV | 64.0° | 175.0° |
| O5' | C5' | C4' | O4' | 148.3° | 66.5° |
| O5' | C5' | C4' | H10 | 120.0° | 120.0° |
| O5' | C5' | C4' | H11 | 120.0° | 120.1° |
| O5' | C5' | C4' | C3' | 96.7° | 175.7° |
| O5' | C5' | C4' | H9 | 28.2° | 54.5° |
| O5' | C5' | H10 | H11 | 120.0° | 120.0° |
| OCT | PCS | OCV | PCW | 92.3° | 80.0° |
| PCS | OCV | PCW | OCY | 15.2° | 45.0° |
| PCS | OCV | PCW | OCZ | 102.1° | 165.0° |
| PCS | OCV | PCW | OCX | 144.0° | 75.0° |
| OCV | PCS | OCT | H12 | 130.3° | 60.1° |
| CBG | CBF | OCZ | H14 | 119.6° | 120.0° |
| CBG | CBF | OCZ | H15 | 119.6° | 120.0° |
| CBG | CBF | OCZ | PCW | 78.6° | 180.0° |
| CBG | CBF | H14 | H15 | 121.2° | 120.1° |
| CBF | CBG | H16 | H17 | 119.9° | 120.0° |
| CBF | CBG | CBH | H18 | 180.0° | 180.0° |
| CBF | CBG | CBH | H19 | 60.0° | 60.0° |
| CBF | CBG | CBH | H20 | 60.0° | 60.0° |
| O4' | C4' | C5' | C3' | 115.0° | 117.8° |
| O4' | C4' | C5' | H9 | 120.2° | 121.0° |
| O4' | C4' | C3' | H9 | 121.8° | 119.4° |
| O4' | C4' | C3' | O3' | 102.2° | 120.8° |
| C4' | O4' | C1' | N1 | 156.3° | 158.5° |
| C4' | O4' | C1' | C2' | 34.2° | 40.0° |
| O4' | C4' | C3' | C2' | 17.9° | 2.0° |
| C4' | O4' | C1' | H4 | 85.3° | 78.5° |
| O4' | C4' | C3' | H7 | 135.0° | 116.7° |
| O4' | C4' | C5' | H10 | 28.3° | 173.5° |
| O4' | C4' | C5' | H11 | 91.7° | 53.6° |
| C5' | C4' | C3' | H9 | 125.0° | 121.1° |
| C5' | C4' | O4' | C1' | 129.5° | 146.0° |
| C5' | C4' | C3' | O3' | 144.6° | 119.8° |
| C5' | C4' | C3' | C2' | 95.2° | 121.4° |
| C5' | C4' | C3' | H7 | 21.8° | 2.8° |
| C4' | C5' | H10 | H11 | 120.0° | 120.0° |
| C3' | C4' | O4' | C1' | 9.8° | 26.5° |
| C4' | C3' | O3' | C2' | 114.5° | 114.9° |
| C4' | C3' | O3' | H7 | 122.1° | 122.6° |
| C4' | C3' | C2' | C1' | 37.0° | 20.9° |
| C4' | C3' | C2' | H7 | 116.7° | 118.6° |
| C4' | C3' | C2' | O2' | 153.6° | 139.1° |
| C4' | C3' | C2' | H5 | 80.5° | 97.3° |
| C4' | C3' | O3' | H8 | 180.0° | 176.3° |
| C3' | C4' | C5' | H10 | 143.3° | 55.7° |
| C3' | C4' | C5' | H11 | 23.3° | 64.3° |
| O4' | C1' | N1 | C2' | 113.5° | 114.0° |
| O4' | C1' | N1 | H4 | 119.0° | 123.1° |
| O4' | C1' | C2' | H4 | 120.0° | 118.6° |
| O4' | C1' | N1 | C2 | 114.5° | 130.9° |
| O4' | C1' | C2' | C3' | 44.5° | 37.0° |
| O4' | C1' | N1 | C6 | 63.6° | 49.0° |
| O4' | C1' | C2' | O2' | 161.7° | 155.2° |
| O4' | C1' | C2' | H5 | 73.0° | 81.3° |
| C1' | O4' | C4' | H9 | 111.1° | 93.0° |
| O2 | C2 | N1 | C1' | 3.6° | 0.3° |
| O2 | C2 | N1 | N3 | 178.8° | 179.8° |
| O2 | C2 | N1 | C6 | 178.2° | 179.7° |
| O2 | C2 | N3 | C4 | 177.6° | 179.7° |
| O2 | C2 | N3 | H3 | 2.4° | 0.2° |
| O3' | C3' | C2' | C1' | 82.6° | 97.9° |
| O3' | C3' | C2' | H7 | 123.8° | 122.5° |
| O3' | C3' | C2' | O2' | 34.1° | 20.2° |
| O3' | C3' | C2' | H5 | 159.9° | 143.9° |
| O3' | C3' | C4' | H9 | 19.6° | 1.3° |
| N1 | C1' | C2' | H4 | 127.5° | 122.9° |
| C1' | N1 | C2 | C6 | 178.1° | 180.0° |
| C1' | N1 | C2 | N3 | 177.6° | 180.0° |
| N1 | C1' | C2' | C3' | 157.0° | 155.5° |
| N1 | C1' | C2' | O2' | 85.8° | 86.3° |
| C1' | N1 | C6 | C5 | 178.1° | 180.0° |
| C1' | N1 | C6 | H2 | 1.9° | 0.0° |
| N1 | C1' | C2' | H5 | 39.4° | 37.2° |
| C2' | C1' | N1 | C2 | 132.0° | 115.0° |
| C1' | C2' | C3' | O2' | 116.6° | 118.2° |
| C1' | C2' | C3' | H5 | 117.5° | 118.2° |
| C2' | C1' | N1 | C6 | 49.9° | 65.0° |
| C1' | C2' | O2' | H5 | 124.6° | 123.5° |
| C1' | C2' | O2' | H6 | 180.0° | 179.9° |
| C1' | C2' | C3' | H7 | 153.7° | 139.6° |
| N1 | C2 | N3 | C4 | 1.3° | 0.1° |
| C2 | N1 | C6 | C5 | 0.0° | 0.1° |
| C2 | N1 | C6 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | H3 | 178.7° | 180.0° |
| C2 | N1 | C1' | H4 | 4.4° | 7.9° |
| N3 | C2 | N1 | C6 | 0.6° | 0.1° |
| C2 | N3 | C4 | H3 | 180.0° | 179.9° |
| C2 | N3 | C4 | C5 | 1.3° | 0.1° |
| C2 | N3 | C4 | O4 | 179.1° | 180.0° |
| C3' | C2' | O2' | H5 | 125.2° | 123.7° |
| C3' | C2' | C1' | H4 | 75.5° | 81.6° |
| C3' | C2' | O2' | H6 | 69.9° | 67.3° |
| C2' | C3' | O3' | H8 | 65.5° | 61.5° |
| C2' | C3' | C4' | H9 | 139.8° | 117.4° |
| OCV | PCW | OCZ | CBF | 117.2° | 175.0° |
| OCV | PCW | OCY | OCZ | 107.5° | 120.1° |
| OCV | PCW | OCY | OCX | 120.2° | 120.0° |
| OCV | PCW | OCZ | OCX | 109.9° | 120.0° |
| OCV | PCW | OCX | H13 | 121.4° | 60.0° |
| CBF | OCZ | PCW | OCY | 3.8° | 54.9° |
| CBF | OCZ | PCW | OCX | 132.9° | 65.0° |
| OCZ | CBF | H14 | H15 | 121.2° | 119.9° |
| OCZ | CBF | CBG | H16 | 63.5° | 60.0° |
| OCZ | CBF | CBG | H17 | 56.4° | 60.0° |
| N1 | C6 | C5 | H2 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.1° |
| N1 | C6 | C5 | H1 | 180.0° | 180.0° |
| C6 | N1 | C1' | H4 | 177.5° | 172.1° |
| N3 | C4 | C5 | C6 | 0.7° | 0.1° |
| N3 | C4 | C5 | O4 | 179.6° | 179.9° |
| N3 | C4 | C5 | H1 | 179.3° | 180.0° |
| OCY | PCW | OCZ | OCX | 136.7° | 119.9° |
| OCY | PCW | OCX | H13 | 0.0° | 180.0° |
| OCZ | PCW | OCX | H13 | 133.3° | 60.0° |
| PCW | OCZ | CBF | H14 | 41.0° | 60.0° |
| PCW | OCZ | CBF | H15 | 161.8° | 60.0° |
| O2' | C2' | C1' | H4 | 41.7° | 36.6° |
| O2' | C2' | C3' | H7 | 89.7° | 102.3° |
| C6 | C5 | C4 | H1 | 180.0° | 179.9° |
| C6 | C5 | C4 | O4 | 179.7° | 180.0° |
| C4 | C5 | C6 | H2 | 179.9° | 180.0° |
| C5 | C4 | N3 | H3 | 178.7° | 180.0° |
| O4 | C4 | C5 | H1 | 0.3° | 0.1° |
| O4 | C4 | N3 | H3 | 0.9° | 0.1° |
| H1 | C5 | C6 | H2 | 0.0° | 0.0° |
| H4 | C1' | C2' | H5 | 167.0° | 160.1° |
| H5 | C2' | O2' | H6 | 55.4° | 56.4° |
| H5 | C2' | C3' | H7 | 36.2° | 21.4° |
| H7 | C3' | O3' | H8 | 57.9° | 61.1° |
| H7 | C3' | C4' | H9 | 103.2° | 123.9° |
| H9 | C4' | C5' | H10 | 91.9° | 65.5° |
| H9 | C4' | C5' | H11 | 148.2° | 174.6° |
| H14 | CBF | CBG | H16 | 176.9° | 179.9° |
| H14 | CBF | CBG | H17 | 63.2° | 60.0° |
| H15 | CBF | CBG | H16 | 56.1° | 60.0° |
| H15 | CBF | CBG | H17 | 176.0° | 179.9° |
| H16 | CBG | CBH | H18 | 60.1° | 60.0° |
| H16 | CBG | CBH | H19 | 60.0° | 180.0° |
| H16 | CBG | CBH | H20 | 180.0° | 60.0° |
| H17 | CBG | CBH | H18 | 60.0° | 60.0° |
| H17 | CBG | CBH | H19 | 180.0° | 60.0° |
| H17 | CBG | CBH | H20 | 60.0° | 180.0° |
| H18 | CBH | H19 | H20 | 119.9° | 120.0° |
