8EO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CM4 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | N3 | doub | 1.26Å | 1.35Å | |
| C4 | C5 | sing | 1.52Å | 1.39Å | |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7' | N3 | sing | 1.46Å | 1.47Å | |
| C7' | C5' | sing | 1.51Å | 1.47Å | |
| C6' | N1' | doub | 1.33Å | 1.38Å | Aromatic |
| C6' | C5' | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C2 | sing | 1.47Å | 1.46Å | |
| OB1 | PB | doub | 1.48Å | 1.53Å | |
| C5 | S1 | sing | 1.84Å | 1.78Å | |
| O8 | C7 | sing | 1.43Å | 1.42Å | |
| O8 | PA | sing | 1.61Å | 1.58Å | |
| N1' | C2' | sing | 1.32Å | 1.35Å | Aromatic |
| C5' | C4' | doub | 1.40Å | 1.43Å | Aromatic |
| OA1 | PA | doub | 1.48Å | 1.50Å | |
| C2 | S1 | sing | 1.84Å | 1.79Å | |
| PA | OA3 | sing | 1.61Å | 1.61Å | |
| PA | OA2 | sing | 1.61Å | 1.50Å | |
| PB | OA3 | sing | 1.61Å | 1.57Å | |
| PB | OB3 | sing | 1.61Å | 1.49Å | |
| PB | OB2 | sing | 1.61Å | 1.52Å | |
| C2' | CM2 | sing | 1.51Å | 1.41Å | |
| C2' | N3' | doub | 1.32Å | 1.34Å | Aromatic |
| C4' | N3' | sing | 1.33Å | 1.36Å | Aromatic |
| C4' | N4' | sing | 1.39Å | 1.33Å | |
| C6' | H1 | sing | 1.08Å | 1.08Å | |
| CM4 | H2 | sing | 1.09Å | 1.10Å | |
| CM4 | H3 | sing | 1.09Å | 1.10Å | |
| CM4 | H4 | sing | 1.09Å | 1.10Å | |
| CM2 | H5 | sing | 1.09Å | 1.10Å | |
| CM2 | H6 | sing | 1.09Å | 1.10Å | |
| CM2 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C7' | H14 | sing | 1.09Å | 1.10Å | |
| C7' | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| N4' | H18 | sing | 0.97Å | 1.00Å | |
| N4' | H19 | sing | 0.97Å | 1.00Å | |
| OA2 | H21 | sing | 0.97Å | 0.95Å | |
| OB3 | H22 | sing | 0.97Å | 0.95Å | |
| OB2 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CM4 | C4 | N3 | 121.7° | 121.2° |
| CM4 | C4 | C5 | 122.3° | 121.3° |
| C4 | CM4 | H2 | 109.5° | 109.5° |
| C4 | CM4 | H3 | 109.4° | 109.5° |
| C4 | CM4 | H4 | 109.5° | 109.5° |
| N3 | C4 | C5 | 114.9° | 117.5° |
| C4 | N3 | C7' | 124.7° | 120.4° |
| C4 | N3 | C2 | 115.1° | 119.3° |
| C4 | C5 | C6 | 125.2° | 111.0° |
| C4 | C5 | S1 | 108.8° | 101.7° |
| C4 | C5 | H17 | 101.8° | 111.0° |
| C5 | C6 | C7 | 100.3° | 109.5° |
| C6 | C5 | S1 | 115.7° | 111.0° |
| C5 | C6 | H10 | 111.7° | 109.5° |
| C5 | C6 | H11 | 111.7° | 109.5° |
| C6 | C5 | H17 | 101.0° | 110.9° |
| C6 | C7 | O8 | 109.5° | 109.5° |
| C6 | C7 | H8 | 109.4° | 109.4° |
| C6 | C7 | H9 | 109.4° | 109.5° |
| C7 | C6 | H10 | 111.7° | 109.5° |
| C7 | C6 | H11 | 111.7° | 109.4° |
| N3 | C7' | C5' | 112.8° | 109.5° |
| C7' | N3 | C2 | 119.6° | 120.3° |
| N3 | C7' | H14 | 108.6° | 109.4° |
| N3 | C7' | H15 | 108.7° | 109.5° |
| C7' | C5' | C6' | 118.7° | 120.9° |
| C7' | C5' | C4' | 125.9° | 120.8° |
| C5' | C7' | H14 | 108.6° | 109.4° |
| C5' | C7' | H15 | 108.6° | 109.5° |
| N1' | C6' | C5' | 120.8° | 119.2° |
| C6' | N1' | C2' | 120.9° | 121.0° |
| N1' | C6' | H1 | 119.6° | 120.4° |
| C6' | C5' | C4' | 115.3° | 118.3° |
| C5' | C6' | H1 | 119.6° | 120.4° |
| N3 | C2 | S1 | 106.6° | 102.5° |
| N3 | C2 | H12 | 110.2° | 110.8° |
| N3 | C2 | H13 | 110.2° | 111.0° |
| OB1 | PB | OA3 | 106.2° | 109.4° |
| OB1 | PB | OB3 | 107.6° | 109.5° |
| OB1 | PB | OB2 | 105.6° | 109.5° |
| C5 | S1 | C2 | 91.7° | 93.4° |
| S1 | C5 | H17 | 99.2° | 111.0° |
| C7 | O8 | PA | 113.4° | 123.0° |
| O8 | C7 | H8 | 109.4° | 109.5° |
| O8 | C7 | H9 | 109.5° | 109.5° |
| O8 | PA | OA1 | 107.3° | 109.4° |
| O8 | PA | OA3 | 103.0° | 109.5° |
| O8 | PA | OA2 | 111.7° | 109.4° |
| N1' | C2' | CM2 | 118.6° | 119.1° |
| N1' | C2' | N3' | 121.5° | 121.8° |
| C5' | C4' | N3' | 122.6° | 118.9° |
| C5' | C4' | N4' | 120.8° | 120.5° |
| OA1 | PA | OA3 | 110.3° | 109.5° |
| OA1 | PA | OA2 | 116.5° | 109.5° |
| S1 | C2 | H12 | 110.2° | 110.8° |
| S1 | C2 | H13 | 110.2° | 110.8° |
| OA3 | PA | OA2 | 107.1° | 109.5° |
| PA | OA3 | PB | 131.6° | 134.0° |
| PA | OA2 | H21 | 109.5° | 114.0° |
| OA3 | PB | OB3 | 110.2° | 109.5° |
| OA3 | PB | OB2 | 106.8° | 109.5° |
| OB3 | PB | OB2 | 119.6° | 109.5° |
| PB | OB3 | H22 | 109.5° | 114.0° |
| PB | OB2 | H23 | 109.5° | 113.9° |
| CM2 | C2' | N3' | 120.0° | 119.1° |
| C2' | CM2 | H5 | 109.5° | 109.5° |
| C2' | CM2 | H6 | 109.5° | 109.5° |
| C2' | CM2 | H7 | 109.5° | 109.5° |
| C2' | N3' | C4' | 118.9° | 120.7° |
| N3' | C4' | N4' | 116.5° | 120.5° |
| C4' | N4' | H18 | 109.5° | 120.0° |
| C4' | N4' | H19 | 109.5° | 120.0° |
| H2 | CM4 | H3 | 109.5° | 109.5° |
| H2 | CM4 | H4 | 109.4° | 109.5° |
| H3 | CM4 | H4 | 109.5° | 109.4° |
| H5 | CM2 | H6 | 109.5° | 109.5° |
| H5 | CM2 | H7 | 109.4° | 109.5° |
| H6 | CM2 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.4° | 110.7° |
| H14 | C7' | H15 | 109.5° | 109.4° |
| H18 | N4' | H19 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CM4 | C4 | N3 | C5 | 168.6° | 179.9° |
| CM4 | C4 | C5 | C6 | 32.5° | 77.7° |
| CM4 | C4 | N3 | C7' | 4.2° | 0.0° |
| CM4 | C4 | N3 | C2 | 175.4° | 179.9° |
| CM4 | C4 | C5 | S1 | 175.6° | 164.1° |
| C4 | CM4 | H2 | H3 | 120.0° | 120.0° |
| C4 | CM4 | H2 | H4 | 120.0° | 120.0° |
| C4 | CM4 | H3 | H4 | 120.0° | 120.0° |
| CM4 | C4 | C5 | H17 | 80.3° | 46.0° |
| N3 | C4 | C5 | C6 | 159.0° | 102.3° |
| C4 | N3 | C7' | C2 | 170.8° | 179.9° |
| C4 | N3 | C7' | C5' | 82.2° | 114.1° |
| N3 | C4 | C5 | S1 | 15.9° | 15.8° |
| C4 | N3 | C2 | S1 | 5.6° | 16.1° |
| N3 | C4 | CM4 | H2 | 180.0° | 61.2° |
| N3 | C4 | CM4 | H3 | 60.0° | 178.8° |
| N3 | C4 | CM4 | H4 | 60.0° | 58.8° |
| C4 | N3 | C2 | H12 | 114.0° | 134.3° |
| C4 | N3 | C2 | H13 | 125.1° | 102.3° |
| C4 | N3 | C7' | H14 | 38.2° | 5.9° |
| C4 | N3 | C7' | H15 | 157.3° | 125.8° |
| N3 | C4 | C5 | H17 | 88.2° | 133.9° |
| C4 | C5 | C6 | S1 | 140.9° | 112.3° |
| C4 | C5 | C6 | H17 | 113.1° | 123.8° |
| C4 | C5 | C6 | C7 | 137.9° | 175.0° |
| C5 | C4 | N3 | C7' | 164.4° | 179.9° |
| C5 | C4 | N3 | C2 | 6.8° | 0.2° |
| C4 | C5 | S1 | H17 | 105.9° | 118.1° |
| C4 | C5 | S1 | C2 | 15.9° | 20.5° |
| C5 | C4 | CM4 | H2 | 12.3° | 118.7° |
| C5 | C4 | CM4 | H3 | 132.3° | 1.3° |
| C5 | C4 | CM4 | H4 | 107.7° | 121.3° |
| C4 | C5 | C6 | H10 | 103.6° | 55.0° |
| C4 | C5 | C6 | H11 | 19.4° | 65.0° |
| C5 | C6 | C7 | H10 | 118.5° | 120.1° |
| C5 | C6 | C7 | H11 | 118.5° | 120.0° |
| C6 | C5 | S1 | H17 | 107.0° | 123.8° |
| C5 | C6 | C7 | O8 | 177.1° | 180.0° |
| C6 | C5 | S1 | C2 | 162.9° | 97.6° |
| C5 | C6 | C7 | H8 | 57.1° | 60.0° |
| C5 | C6 | C7 | H9 | 62.9° | 59.9° |
| C5 | C6 | H10 | H11 | 124.3° | 120.0° |
| C7 | C6 | C5 | S1 | 81.1° | 72.7° |
| C6 | C7 | O8 | H8 | 120.0° | 120.0° |
| C6 | C7 | O8 | H9 | 120.0° | 120.0° |
| C6 | C7 | O8 | PA | 158.3° | 180.0° |
| C6 | C7 | H8 | H9 | 120.0° | 119.9° |
| C7 | C6 | H10 | H11 | 124.3° | 119.9° |
| C7 | C6 | C5 | H17 | 24.8° | 51.2° |
| N3 | C7' | C5' | H14 | 120.5° | 119.9° |
| N3 | C7' | C5' | H15 | 120.5° | 120.1° |
| N3 | C7' | C5' | C6' | 116.2° | 100.0° |
| N3 | C7' | C5' | C4' | 67.0° | 80.1° |
| C7' | N3 | C2 | S1 | 177.2° | 164.0° |
| C7' | N3 | C2 | H12 | 57.6° | 45.8° |
| C7' | N3 | C2 | H13 | 63.2° | 77.7° |
| N3 | C7' | H14 | H15 | 118.5° | 120.0° |
| C7' | C5' | C6' | N1' | 177.5° | 179.9° |
| C7' | C5' | C6' | C4' | 177.1° | 179.9° |
| C5' | C7' | N3 | C2 | 88.6° | 65.8° |
| C7' | C5' | C4' | N3' | 178.9° | 179.9° |
| C7' | C5' | C4' | N4' | 2.4° | 0.3° |
| C7' | C5' | C6' | H1 | 2.6° | 0.0° |
| C5' | C7' | H14 | H15 | 118.5° | 120.0° |
| N1' | C6' | C5' | H1 | 180.0° | 179.9° |
| N1' | C6' | C5' | C4' | 0.3° | 0.0° |
| C6' | N1' | C2' | CM2 | 179.1° | 180.0° |
| C6' | N1' | C2' | N3' | 1.4° | 0.0° |
| C5' | C6' | N1' | C2' | 0.0° | 0.0° |
| C6' | C5' | C4' | N3' | 2.0° | 0.0° |
| C6' | C5' | C4' | N4' | 179.3° | 179.7° |
| C6' | C5' | C7' | H14 | 4.3° | 20.0° |
| C6' | C5' | C7' | H15 | 123.3° | 139.9° |
| N3 | C2 | S1 | C5 | 12.0° | 20.8° |
| N3 | C2 | S1 | H12 | 119.6° | 118.2° |
| N3 | C2 | S1 | H13 | 119.6° | 118.5° |
| N3 | C2 | H12 | H13 | 121.3° | 123.6° |
| C2 | N3 | C7' | H14 | 151.0° | 174.2° |
| C2 | N3 | C7' | H15 | 31.9° | 54.3° |
| OB1 | PB | OA3 | PA | 57.1° | 40.0° |
| OB1 | PB | OA3 | OB3 | 116.3° | 120.0° |
| OB1 | PB | OA3 | OB2 | 112.3° | 120.0° |
| OB1 | PB | OB3 | OB2 | 120.3° | 120.0° |
| OB1 | PB | OB3 | H22 | 0.0° | 60.0° |
| OB1 | PB | OB2 | H23 | 0.0° | 180.0° |
| S1 | C5 | C6 | H10 | 37.4° | 167.3° |
| S1 | C5 | C6 | H11 | 160.4° | 47.3° |
| C5 | S1 | C2 | H12 | 107.6° | 139.0° |
| C5 | S1 | C2 | H13 | 131.6° | 97.7° |
| C7 | O8 | PA | OA1 | 166.8° | 55.0° |
| C7 | O8 | PA | OA3 | 76.7° | 175.0° |
| C7 | O8 | PA | OA2 | 37.9° | 65.0° |
| O8 | C7 | H8 | H9 | 120.0° | 120.0° |
| O8 | C7 | C6 | H10 | 64.4° | 60.0° |
| O8 | C7 | C6 | H11 | 58.6° | 60.0° |
| O8 | PA | OA1 | OA3 | 111.5° | 120.0° |
| O8 | PA | OA1 | OA2 | 126.1° | 119.9° |
| O8 | PA | OA3 | OA2 | 118.0° | 120.0° |
| O8 | PA | OA3 | PB | 96.9° | 165.0° |
| PA | O8 | C7 | H8 | 81.7° | 60.0° |
| PA | O8 | C7 | H9 | 38.3° | 60.0° |
| O8 | PA | OA2 | H21 | 123.8° | 60.0° |
| N1' | C2' | CM2 | N3' | 179.6° | 180.0° |
| N1' | C2' | N3' | C4' | 3.0° | 0.0° |
| C2' | N1' | C6' | H1 | 180.0° | 179.9° |
| N1' | C2' | CM2 | H5 | 0.0° | 90.0° |
| N1' | C2' | CM2 | H6 | 120.0° | 150.0° |
| N1' | C2' | CM2 | H7 | 120.0° | 30.0° |
| C5' | C4' | N3' | C2' | 3.4° | 0.0° |
| C5' | C4' | N3' | N4' | 178.7° | 179.8° |
| C4' | C5' | C6' | H1 | 179.7° | 179.9° |
| C4' | C5' | C7' | H14 | 172.5° | 160.0° |
| C4' | C5' | C7' | H15 | 53.5° | 40.0° |
| C5' | C4' | N4' | H18 | 178.7° | 179.7° |
| C5' | C4' | N4' | H19 | 61.2° | 0.3° |
| OA1 | PA | OA3 | OA2 | 127.8° | 120.0° |
| OA1 | PA | OA3 | PB | 17.3° | 45.1° |
| OA1 | PA | OA2 | H21 | 0.0° | 180.0° |
| S1 | C2 | H12 | H13 | 121.3° | 123.4° |
| C2 | S1 | C5 | H17 | 90.0° | 138.6° |
| PA | OA3 | PB | OB3 | 59.1° | 160.0° |
| PA | OA3 | PB | OB2 | 169.5° | 79.9° |
| OA3 | PA | OA2 | H21 | 124.1° | 60.0° |
| OA2 | PA | OA3 | PB | 145.2° | 75.0° |
| OA3 | PB | OB3 | OB2 | 124.3° | 120.0° |
| OA3 | PB | OB3 | H22 | 115.4° | 179.9° |
| OA3 | PB | OB2 | H23 | 112.7° | 60.1° |
| OB3 | PB | OB2 | H23 | 121.3° | 60.0° |
| OB2 | PB | OB3 | H22 | 120.3° | 60.0° |
| CM2 | C2' | N3' | C4' | 177.5° | 180.0° |
| C2' | CM2 | H5 | H6 | 120.0° | 120.0° |
| C2' | CM2 | H5 | H7 | 120.0° | 120.0° |
| C2' | CM2 | H6 | H7 | 120.0° | 120.0° |
| C2' | N3' | C4' | N4' | 177.9° | 179.7° |
| N3' | C2' | CM2 | H5 | 179.6° | 90.0° |
| N3' | C2' | CM2 | H6 | 60.4° | 30.0° |
| N3' | C2' | CM2 | H7 | 59.6° | 150.0° |
| N3' | C4' | N4' | H18 | 0.0° | 0.1° |
| N3' | C4' | N4' | H19 | 120.0° | 180.0° |
| C4' | N4' | H18 | H19 | 120.0° | 180.0° |
| H2 | CM4 | H3 | H4 | 120.0° | 120.0° |
| H5 | CM2 | H6 | H7 | 119.9° | 120.0° |
| H8 | C7 | C6 | H10 | 175.6° | 60.1° |
| H8 | C7 | C6 | H11 | 61.4° | 180.0° |
| H9 | C7 | C6 | H10 | 55.7° | 180.0° |
| H9 | C7 | C6 | H11 | 178.6° | 60.1° |
| H10 | C6 | C5 | H17 | 143.3° | 68.8° |
| H11 | C6 | C5 | H17 | 93.7° | 171.2° |
