EIX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | O4' | sing | 1.43Å | 1.43Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C2' | C1' | sing | 1.55Å | 1.52Å | |
| O5' | P | sing | 1.61Å | 1.60Å | |
| P | OP3 | sing | 1.61Å | 1.47Å | |
| P | OP2 | sing | 1.61Å | 1.60Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C1' | N1 | sing | 1.46Å | 1.46Å | |
| N1 | C6 | sing | 1.47Å | 1.45Å | |
| N1 | C2 | sing | 1.34Å | 1.33Å | |
| C6 | SG | sing | 1.81Å | 1.79Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| O2 | C2 | doub | 1.22Å | 1.21Å | |
| C2 | N3 | sing | 1.34Å | 1.33Å | |
| CM5 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | F | sing | 1.40Å | 1.31Å | |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| N3 | C4 | doub | 1.31Å | 1.26Å | |
| C4 | N4 | sing | 1.35Å | 1.33Å | |
| SG | H1 | sing | 1.35Å | 1.30Å | |
| C1' | H2 | sing | 1.09Å | 1.10Å | |
| C2' | H3 | sing | 1.09Å | 1.10Å | |
| C2' | H4 | sing | 1.09Å | 1.10Å | |
| C3' | H5 | sing | 1.09Å | 1.10Å | |
| C4' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| CM5 | H10 | sing | 1.09Å | 1.10Å | |
| CM5 | H11 | sing | 1.09Å | 1.10Å | |
| CM5 | H12 | sing | 1.09Å | 1.10Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| O3' | HO3 | sing | 0.97Å | 0.95Å | |
| OP3 | H16 | sing | 0.97Å | 0.95Å | |
| OP2 | H17 | sing | 0.97Å | 0.95Å | |
| P | OP1 | doub | 1.48Å | 1.60Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 115.3° | 110.8° |
| O3' | C3' | C2' | 114.6° | 110.8° |
| O3' | C3' | H5 | 108.1° | 110.9° |
| C3' | O3' | HO3 | 109.5° | 114.0° |
| C4' | C3' | C2' | 104.5° | 102.3° |
| C3' | C4' | C5' | 108.7° | 109.9° |
| C3' | C4' | O4' | 104.8° | 107.6° |
| C4' | C3' | H5 | 106.8° | 110.8° |
| C3' | C4' | H6 | 110.4° | 109.9° |
| C3' | C2' | C1' | 94.7° | 100.9° |
| C3' | C2' | H3 | 113.1° | 111.1° |
| C3' | C2' | H4 | 113.0° | 111.1° |
| C2' | C3' | H5 | 106.9° | 110.9° |
| C5' | C4' | O4' | 110.6° | 109.8° |
| C4' | C5' | O5' | 109.3° | 109.5° |
| C5' | C4' | H6 | 110.4° | 109.8° |
| C4' | C5' | H7 | 109.5° | 109.5° |
| C4' | C5' | H8 | 109.5° | 109.5° |
| C4' | O4' | C1' | 105.1° | 109.9° |
| O4' | C4' | H6 | 111.7° | 109.9° |
| C5' | O5' | P | 120.6° | 123.0° |
| O5' | C5' | H7 | 109.5° | 109.5° |
| O5' | C5' | H8 | 109.5° | 109.4° |
| C2' | C1' | O4' | 103.3° | 105.2° |
| C2' | C1' | N1 | 109.2° | 110.3° |
| C2' | C1' | H2 | 107.5° | 110.3° |
| C1' | C2' | H3 | 113.0° | 111.1° |
| C1' | C2' | H4 | 113.0° | 111.1° |
| O5' | P | OP3 | 111.2° | 109.5° |
| O5' | P | OP2 | 110.0° | 109.5° |
| O5' | P | OP1 | 104.8° | 109.4° |
| OP3 | P | OP2 | 111.7° | 109.5° |
| P | OP3 | H16 | 109.5° | 114.0° |
| OP3 | P | OP1 | 109.4° | 109.5° |
| P | OP2 | H17 | 109.5° | 114.0° |
| OP2 | P | OP1 | 109.5° | 109.5° |
| O4' | C1' | N1 | 119.3° | 110.3° |
| O4' | C1' | H2 | 108.6° | 110.3° |
| C1' | N1 | C6 | 113.5° | 119.9° |
| C1' | N1 | C2 | 124.1° | 119.8° |
| N1 | C1' | H2 | 108.3° | 110.3° |
| C6 | N1 | C2 | 122.4° | 120.3° |
| N1 | C6 | SG | 107.1° | 109.5° |
| N1 | C6 | C5 | 111.1° | 109.2° |
| N1 | C6 | H9 | 111.2° | 109.6° |
| N1 | C2 | O2 | 121.7° | 119.3° |
| N1 | C2 | N3 | 118.4° | 121.4° |
| SG | C6 | C5 | 109.9° | 109.5° |
| C6 | SG | H1 | 102.0° | 103.0° |
| SG | C6 | H9 | 107.1° | 109.5° |
| C6 | C5 | CM5 | 110.9° | 109.5° |
| C6 | C5 | F | 109.3° | 109.5° |
| C6 | C5 | C4 | 108.2° | 109.2° |
| C5 | C6 | H9 | 110.3° | 109.5° |
| O2 | C2 | N3 | 119.9° | 119.3° |
| C2 | N3 | C4 | 121.5° | 121.6° |
| CM5 | C5 | F | 108.0° | 109.5° |
| CM5 | C5 | C4 | 111.0° | 109.5° |
| C5 | CM5 | H10 | 109.5° | 109.5° |
| C5 | CM5 | H11 | 109.5° | 109.5° |
| C5 | CM5 | H12 | 109.5° | 109.5° |
| F | C5 | C4 | 109.5° | 109.5° |
| C5 | C4 | N3 | 117.9° | 120.5° |
| C5 | C4 | N4 | 120.4° | 119.8° |
| N3 | C4 | N4 | 121.6° | 119.8° |
| C4 | N4 | H14 | 120.0° | 120.0° |
| C4 | N4 | H18 | 120.0° | 120.0° |
| H3 | C2' | H4 | 109.5° | 111.0° |
| H7 | C5' | H8 | 109.5° | 109.4° |
| H10 | CM5 | H11 | 109.5° | 109.5° |
| H10 | CM5 | H12 | 109.5° | 109.5° |
| H11 | CM5 | H12 | 109.5° | 109.4° |
| H14 | N4 | H18 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C4' | C2' | 126.8° | 118.1° |
| O3' | C3' | C4' | H5 | 120.1° | 123.6° |
| O3' | C3' | C2' | H5 | 119.8° | 123.6° |
| O3' | C3' | C4' | C5' | 97.3° | 101.0° |
| O3' | C3' | C4' | O4' | 144.4° | 139.5° |
| O3' | C3' | C2' | C1' | 167.9° | 152.3° |
| O3' | C3' | C2' | H3 | 74.6° | 34.4° |
| O3' | C3' | C2' | H4 | 50.5° | 89.8° |
| O3' | C3' | C4' | H6 | 24.0° | 19.9° |
| C4' | C3' | C2' | H5 | 113.0° | 118.2° |
| C3' | C4' | C5' | O4' | 114.6° | 118.1° |
| C3' | C4' | C5' | H6 | 121.2° | 120.9° |
| C3' | C4' | O4' | H6 | 119.5° | 119.6° |
| C3' | C4' | C5' | O5' | 167.8° | 175.0° |
| C4' | C3' | C2' | C1' | 40.7° | 34.2° |
| C3' | C4' | O4' | C1' | 15.7° | 1.6° |
| C4' | C3' | C2' | H3 | 158.2° | 83.8° |
| C4' | C3' | C2' | H4 | 76.8° | 152.1° |
| C3' | C4' | C5' | H7 | 72.2° | 55.0° |
| C3' | C4' | C5' | H8 | 47.8° | 65.0° |
| C4' | C3' | O3' | HO3 | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 135.9° | 140.9° |
| C2' | C3' | C4' | O4' | 17.6° | 21.4° |
| C3' | C2' | C1' | H3 | 117.5° | 117.9° |
| C3' | C2' | C1' | H4 | 117.4° | 117.9° |
| C3' | C2' | C1' | O4' | 51.7° | 36.4° |
| C3' | C2' | C1' | N1 | 179.7° | 155.3° |
| C3' | C2' | C1' | H2 | 63.1° | 82.6° |
| C3' | C2' | H3 | H4 | 127.0° | 124.2° |
| C2' | C3' | C4' | H6 | 102.8° | 98.2° |
| C2' | C3' | O3' | HO3 | 58.5° | 67.3° |
| C5' | C4' | O4' | H6 | 123.4° | 120.9° |
| C4' | C5' | O5' | H7 | 120.0° | 120.0° |
| C4' | C5' | O5' | H8 | 120.0° | 120.0° |
| C4' | C5' | O5' | P | 179.0° | 180.0° |
| C5' | C4' | O4' | C1' | 101.3° | 117.9° |
| C5' | C4' | C3' | H5 | 22.9° | 22.6° |
| C4' | C5' | H7 | H8 | 120.1° | 120.0° |
| O4' | C4' | C5' | O5' | 53.2° | 66.9° |
| C4' | O4' | C1' | C2' | 43.8° | 24.3° |
| C4' | O4' | C1' | N1 | 165.2° | 143.3° |
| C4' | O4' | C1' | H2 | 70.2° | 94.7° |
| O4' | C4' | C3' | H5 | 95.5° | 96.9° |
| O4' | C4' | C5' | H7 | 173.2° | 173.1° |
| O4' | C4' | C5' | H8 | 66.8° | 53.1° |
| C5' | O5' | P | OP3 | 38.9° | 65.0° |
| C5' | O5' | P | OP2 | 163.2° | 175.0° |
| O5' | C5' | C4' | H6 | 71.0° | 54.1° |
| O5' | C5' | H7 | H8 | 120.1° | 119.9° |
| C5' | O5' | P | OP1 | 79.2° | 55.0° |
| C2' | C1' | O4' | N1 | 121.4° | 118.9° |
| C2' | C1' | O4' | H2 | 114.0° | 119.0° |
| C2' | C1' | N1 | H2 | 116.8° | 122.1° |
| C2' | C1' | N1 | C6 | 62.8° | 118.6° |
| C2' | C1' | N1 | C2 | 120.2° | 61.4° |
| C1' | C2' | H3 | H4 | 127.0° | 124.2° |
| C1' | C2' | C3' | H5 | 72.3° | 84.1° |
| O5' | P | OP3 | OP2 | 123.3° | 120.0° |
| O5' | P | OP3 | OP1 | 115.3° | 120.0° |
| O5' | P | OP2 | OP1 | 114.7° | 120.0° |
| P | O5' | C5' | H7 | 59.1° | 60.0° |
| P | O5' | C5' | H8 | 61.0° | 60.0° |
| O5' | P | OP3 | H16 | 115.3° | 60.0° |
| O5' | P | OP2 | H17 | 114.7° | 180.0° |
| OP3 | P | OP2 | OP1 | 121.3° | 120.0° |
| OP3 | P | OP2 | H17 | 121.3° | 60.0° |
| OP2 | P | OP3 | H16 | 121.4° | 60.0° |
| O4' | C1' | N1 | H2 | 124.8° | 122.1° |
| O4' | C1' | N1 | C6 | 178.8° | 2.8° |
| O4' | C1' | N1 | C2 | 1.8° | 177.2° |
| O4' | C1' | C2' | H3 | 169.2° | 81.5° |
| O4' | C1' | C2' | H4 | 65.8° | 154.4° |
| C1' | O4' | C4' | H6 | 135.3° | 121.2° |
| C1' | N1 | C6 | C2 | 177.1° | 180.0° |
| C1' | N1 | C6 | SG | 56.6° | 95.8° |
| C1' | N1 | C6 | C5 | 176.7° | 144.3° |
| C1' | N1 | C2 | O2 | 29.9° | 4.5° |
| C1' | N1 | C2 | N3 | 150.0° | 175.1° |
| N1 | C1' | C2' | H3 | 62.9° | 37.4° |
| N1 | C1' | C2' | H4 | 62.2° | 86.7° |
| C1' | N1 | C6 | H9 | 60.1° | 24.4° |
| N1 | C6 | SG | C5 | 120.9° | 119.7° |
| N1 | C6 | SG | H9 | 119.3° | 120.2° |
| N1 | C6 | C5 | H9 | 123.7° | 120.0° |
| C6 | N1 | C2 | O2 | 153.3° | 175.5° |
| C6 | N1 | C2 | N3 | 26.8° | 4.9° |
| N1 | C6 | C5 | CM5 | 88.4° | 73.7° |
| N1 | C6 | C5 | F | 152.7° | 166.2° |
| N1 | C6 | C5 | C4 | 33.5° | 46.3° |
| N1 | C6 | SG | H1 | 180.0° | 60.3° |
| C6 | N1 | C1' | H2 | 54.0° | 119.3° |
| C2 | N1 | C6 | SG | 120.5° | 84.2° |
| C2 | N1 | C6 | C5 | 0.4° | 35.7° |
| N1 | C2 | O2 | N3 | 179.9° | 179.6° |
| N1 | C2 | N3 | C4 | 12.7° | 14.2° |
| C2 | N1 | C1' | H2 | 123.0° | 60.7° |
| C2 | N1 | C6 | H9 | 122.8° | 155.6° |
| SG | C6 | C5 | H9 | 117.8° | 120.1° |
| SG | C6 | C5 | CM5 | 153.2° | 166.4° |
| SG | C6 | C5 | F | 34.3° | 46.3° |
| SG | C6 | C5 | C4 | 84.9° | 73.6° |
| C6 | C5 | CM5 | F | 119.7° | 120.1° |
| C6 | C5 | CM5 | C4 | 120.3° | 119.8° |
| C6 | C5 | F | C4 | 118.3° | 119.8° |
| C6 | C5 | C4 | N3 | 49.8° | 32.8° |
| C6 | C5 | C4 | N4 | 129.5° | 147.2° |
| C5 | C6 | SG | H1 | 59.1° | 180.0° |
| C6 | C5 | CM5 | H10 | 180.0° | 60.1° |
| C6 | C5 | CM5 | H11 | 60.0° | 59.9° |
| C6 | C5 | CM5 | H12 | 60.0° | 179.8° |
| O2 | C2 | N3 | C4 | 167.4° | 165.4° |
| C2 | N3 | C4 | C5 | 27.2° | 1.9° |
| C2 | N3 | C4 | N4 | 152.0° | 178.1° |
| CM5 | C5 | F | C4 | 121.0° | 120.1° |
| CM5 | C5 | C4 | N3 | 72.1° | 87.2° |
| CM5 | C5 | C4 | N4 | 108.6° | 92.8° |
| CM5 | C5 | C6 | H9 | 35.3° | 46.3° |
| C5 | CM5 | H10 | H11 | 120.0° | 120.0° |
| C5 | CM5 | H10 | H12 | 120.0° | 120.0° |
| C5 | CM5 | H11 | H12 | 120.0° | 120.0° |
| F | C5 | C4 | N3 | 168.8° | 152.7° |
| F | C5 | C4 | N4 | 10.5° | 27.3° |
| F | C5 | C6 | H9 | 83.6° | 73.8° |
| F | C5 | CM5 | H10 | 60.3° | 60.0° |
| F | C5 | CM5 | H11 | 59.7° | 180.0° |
| F | C5 | CM5 | H12 | 179.7° | 60.0° |
| C5 | C4 | N3 | N4 | 179.3° | 180.0° |
| C4 | C5 | C6 | H9 | 157.3° | 166.3° |
| C4 | C5 | CM5 | H10 | 59.7° | 179.9° |
| C4 | C5 | CM5 | H11 | 179.7° | 59.9° |
| C4 | C5 | CM5 | H12 | 60.3° | 60.0° |
| C5 | C4 | N4 | H14 | 179.3° | 0.0° |
| C5 | C4 | N4 | H18 | 0.8° | 180.0° |
| N3 | C4 | N4 | H14 | 0.0° | 180.0° |
| N3 | C4 | N4 | H18 | 180.0° | 0.0° |
| C4 | N4 | H14 | H18 | 180.0° | 180.0° |
| H1 | SG | C6 | H9 | 60.7° | 60.0° |
| H2 | C1' | C2' | H3 | 54.4° | 159.5° |
| H2 | C1' | C2' | H4 | 179.5° | 35.4° |
| H3 | C2' | C3' | H5 | 45.1° | 158.0° |
| H4 | C2' | C3' | H5 | 170.2° | 33.8° |
| H5 | C3' | C4' | H6 | 144.1° | 143.5° |
| H5 | C3' | O3' | HO3 | 60.6° | 56.4° |
| H6 | C4' | C5' | H7 | 49.0° | 65.9° |
| H6 | C4' | C5' | H8 | 169.0° | 174.1° |
| H10 | CM5 | H11 | H12 | 120.0° | 120.0° |
| H16 | OP3 | P | OP1 | 0.0° | 180.0° |
| H17 | OP2 | P | OP1 | 0.0° | 60.0° |
