8FL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CM4 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | doub | 1.32Å | 1.35Å | |
| C4 | N3 | sing | 1.38Å | 1.35Å | |
| C6 | C5 | sing | 1.51Å | 1.48Å | |
| C6 | C7 | sing | 1.53Å | 1.49Å | |
| C7' | N3 | sing | 1.47Å | 1.48Å | |
| C7' | C5' | sing | 1.51Å | 1.47Å | |
| C6' | N1' | doub | 1.33Å | 1.37Å | Aromatic |
| C6' | C5' | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | S1 | sing | 1.78Å | 1.74Å | |
| N3 | C2 | sing | 1.47Å | 1.45Å | |
| O1B | PB | doub | 1.48Å | 1.60Å | |
| O7 | C7 | sing | 1.43Å | 1.46Å | |
| O7 | PA | sing | 1.61Å | 1.60Å | |
| N1' | C2' | sing | 1.32Å | 1.35Å | Aromatic |
| C5' | C4' | doub | 1.40Å | 1.43Å | Aromatic |
| C2 | S1 | sing | 1.83Å | 1.76Å | |
| C2 | OC2 | sing | 1.43Å | 1.39Å | |
| O1A | PA | doub | 1.48Å | 1.44Å | |
| PA | O3A | sing | 1.61Å | 1.57Å | |
| PA | O2A | sing | 1.61Å | 1.47Å | |
| O3B | PB | sing | 1.61Å | 1.45Å | |
| PB | O3A | sing | 1.61Å | 1.56Å | |
| PB | O2B | sing | 1.61Å | 1.42Å | |
| C2' | CM2 | sing | 1.51Å | 1.46Å | |
| C2' | N3' | doub | 1.32Å | 1.33Å | Aromatic |
| C4' | N3' | sing | 1.33Å | 1.36Å | Aromatic |
| C4' | N4' | sing | 1.39Å | 1.32Å | |
| 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 | |
| C7' | H12 | sing | 1.09Å | 1.10Å | |
| C7' | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| N4' | H15 | sing | 0.97Å | 1.00Å | |
| N4' | H16 | sing | 0.97Å | 1.00Å | |
| O3B | H17 | sing | 0.97Å | 0.95Å | |
| OC2 | H18 | sing | 0.97Å | 0.95Å | |
| O2B | H19 | sing | 0.97Å | 0.95Å | |
| O2A | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CM4 | C4 | C5 | 125.5° | 119.4° |
| CM4 | C4 | N3 | 121.6° | 119.3° |
| C4 | CM4 | H2 | 109.5° | 109.4° |
| C4 | CM4 | H3 | 109.5° | 109.5° |
| C4 | CM4 | H4 | 109.5° | 109.5° |
| C5 | C4 | N3 | 112.9° | 121.2° |
| C4 | C5 | C6 | 128.2° | 126.9° |
| C4 | C5 | S1 | 113.3° | 106.2° |
| C4 | N3 | C7' | 124.1° | 122.8° |
| C4 | N3 | C2 | 112.7° | 114.5° |
| C5 | C6 | C7 | 110.5° | 109.5° |
| C6 | C5 | S1 | 118.5° | 126.9° |
| C5 | C6 | H10 | 109.2° | 109.5° |
| C5 | C6 | H11 | 109.2° | 109.5° |
| C6 | C7 | O7 | 108.2° | 109.5° |
| C6 | C7 | H8 | 109.8° | 109.5° |
| C6 | C7 | H9 | 109.8° | 109.4° |
| C7 | C6 | H10 | 109.2° | 109.4° |
| C7 | C6 | H11 | 109.2° | 109.5° |
| N3 | C7' | C5' | 113.4° | 109.5° |
| C7' | N3 | C2 | 122.0° | 122.7° |
| N3 | C7' | H12 | 108.5° | 109.4° |
| N3 | C7' | H13 | 108.5° | 109.5° |
| C7' | C5' | C6' | 120.1° | 120.9° |
| C7' | C5' | C4' | 123.9° | 120.8° |
| C5' | C7' | H12 | 108.5° | 109.5° |
| C5' | C7' | H13 | 108.5° | 109.5° |
| N1' | C6' | C5' | 120.9° | 119.2° |
| C6' | N1' | C2' | 120.9° | 121.0° |
| N1' | C6' | H1 | 119.5° | 120.4° |
| C6' | C5' | C4' | 115.9° | 118.3° |
| C5' | C6' | H1 | 119.6° | 120.4° |
| C5 | S1 | C2 | 89.1° | 95.9° |
| N3 | C2 | S1 | 106.9° | 102.1° |
| N3 | C2 | OC2 | 95.4° | 110.9° |
| N3 | C2 | H14 | 118.4° | 111.1° |
| O1B | PB | O3B | 103.5° | 109.5° |
| O1B | PB | O3A | 97.4° | 109.5° |
| O1B | PB | O2B | 106.1° | 109.5° |
| C7 | O7 | PA | 112.7° | 123.0° |
| O7 | C7 | H8 | 109.7° | 109.5° |
| O7 | C7 | H9 | 109.8° | 109.5° |
| O7 | PA | O1A | 107.5° | 109.4° |
| O7 | PA | O3A | 102.2° | 109.5° |
| O7 | PA | O2A | 106.4° | 109.5° |
| N1' | C2' | CM2 | 118.2° | 119.1° |
| N1' | C2' | N3' | 121.6° | 121.8° |
| C5' | C4' | N3' | 121.8° | 118.9° |
| C5' | C4' | N4' | 121.0° | 120.5° |
| S1 | C2 | OC2 | 100.7° | 110.8° |
| S1 | C2 | H14 | 113.0° | 110.8° |
| OC2 | C2 | H14 | 119.8° | 110.8° |
| C2 | OC2 | H18 | 109.5° | 114.0° |
| O1A | PA | O3A | 111.5° | 109.5° |
| O1A | PA | O2A | 116.9° | 109.5° |
| O3A | PA | O2A | 111.0° | 109.5° |
| PA | O3A | PB | 136.4° | 134.0° |
| PA | O2A | H20 | 109.5° | 114.0° |
| O3B | PB | O3A | 113.1° | 109.5° |
| O3B | PB | O2B | 121.1° | 109.5° |
| PB | O3B | H17 | 109.5° | 114.0° |
| O3A | PB | O2B | 112.2° | 109.4° |
| PB | O2B | H19 | 109.5° | 114.0° |
| CM2 | C2' | N3' | 120.2° | 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' | 118.8° | 120.7° |
| N3' | C4' | N4' | 117.1° | 120.5° |
| C4' | N4' | H15 | 109.5° | 120.0° |
| C4' | N4' | H16 | 109.4° | 120.0° |
| H2 | CM4 | H3 | 109.5° | 109.5° |
| H2 | CM4 | H4 | 109.5° | 109.4° |
| H3 | CM4 | H4 | 109.4° | 109.5° |
| H5 | CM2 | H6 | 109.5° | 109.5° |
| H5 | CM2 | H7 | 109.5° | 109.5° |
| H6 | CM2 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.4° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | C7' | H13 | 109.5° | 109.5° |
| H15 | N4' | H16 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CM4 | C4 | C5 | N3 | 179.6° | 179.7° |
| CM4 | C4 | C5 | C6 | 1.3° | 0.0° |
| CM4 | C4 | N3 | C7' | 3.2° | 0.0° |
| CM4 | C4 | C5 | S1 | 179.7° | 180.0° |
| CM4 | C4 | N3 | C2 | 164.5° | 180.0° |
| C4 | CM4 | H2 | H3 | 120.0° | 120.0° |
| C4 | CM4 | H2 | H4 | 120.0° | 120.0° |
| C4 | CM4 | H3 | H4 | 120.0° | 120.0° |
| C4 | C5 | C6 | S1 | 179.0° | 180.0° |
| C4 | C5 | C6 | C7 | 116.1° | 95.0° |
| C5 | C4 | N3 | C7' | 177.2° | 179.7° |
| C5 | C4 | N3 | C2 | 15.1° | 0.2° |
| C4 | C5 | S1 | C2 | 12.4° | 0.1° |
| C5 | C4 | CM4 | H2 | 180.0° | 0.0° |
| C5 | C4 | CM4 | H3 | 60.0° | 120.0° |
| C5 | C4 | CM4 | H4 | 60.0° | 119.9° |
| C4 | C5 | C6 | H10 | 123.8° | 25.0° |
| C4 | C5 | C6 | H11 | 4.1° | 145.0° |
| N3 | C4 | C5 | C6 | 178.3° | 179.7° |
| C4 | N3 | C7' | C2 | 166.6° | 179.9° |
| C4 | N3 | C7' | C5' | 81.7° | 90.0° |
| N3 | C4 | C5 | S1 | 0.7° | 0.2° |
| C4 | N3 | C2 | S1 | 23.5° | 0.1° |
| C4 | N3 | C2 | OC2 | 126.5° | 118.2° |
| N3 | C4 | CM4 | H2 | 0.5° | 179.8° |
| N3 | C4 | CM4 | H3 | 120.5° | 60.2° |
| N3 | C4 | CM4 | H4 | 119.6° | 59.8° |
| C4 | N3 | C7' | H12 | 38.9° | 30.0° |
| C4 | N3 | C7' | H13 | 157.7° | 150.0° |
| C4 | N3 | C2 | H14 | 105.4° | 118.1° |
| C5 | C6 | C7 | H10 | 120.1° | 120.0° |
| C5 | C6 | C7 | H11 | 120.2° | 120.0° |
| C5 | C6 | C7 | O7 | 176.5° | 180.0° |
| C6 | C5 | S1 | C2 | 166.7° | 179.8° |
| C5 | C6 | C7 | H8 | 63.7° | 59.9° |
| C5 | C6 | C7 | H9 | 56.7° | 60.0° |
| C5 | C6 | H10 | H11 | 119.5° | 120.0° |
| C7 | C6 | C5 | S1 | 64.9° | 85.0° |
| C6 | C7 | O7 | H8 | 119.8° | 120.1° |
| C6 | C7 | O7 | H9 | 119.8° | 120.0° |
| C6 | C7 | O7 | PA | 157.0° | 180.0° |
| C6 | C7 | H8 | H9 | 120.6° | 119.9° |
| C7 | C6 | H10 | H11 | 119.5° | 120.0° |
| N3 | C7' | C5' | H12 | 120.6° | 119.9° |
| N3 | C7' | C5' | H13 | 120.6° | 120.1° |
| N3 | C7' | C5' | C6' | 116.5° | 100.0° |
| N3 | C7' | C5' | C4' | 66.0° | 80.1° |
| C7' | N3 | C2 | S1 | 168.5° | 179.8° |
| C7' | N3 | C2 | OC2 | 65.6° | 61.7° |
| N3 | C7' | H12 | H13 | 118.2° | 120.0° |
| C7' | N3 | C2 | H14 | 62.5° | 62.0° |
| C7' | C5' | C6' | N1' | 178.0° | 180.0° |
| C7' | C5' | C6' | C4' | 177.7° | 179.9° |
| C5' | C7' | N3 | C2 | 111.7° | 90.1° |
| C7' | C5' | C4' | N3' | 179.0° | 180.0° |
| C7' | C5' | C4' | N4' | 2.1° | 0.4° |
| C7' | C5' | C6' | H1 | 2.0° | 0.0° |
| C5' | C7' | H12 | H13 | 118.2° | 120.0° |
| N1' | C6' | C5' | H1 | 180.0° | 180.0° |
| N1' | C6' | C5' | C4' | 0.3° | 0.0° |
| C6' | N1' | C2' | CM2 | 178.1° | 180.0° |
| C6' | N1' | C2' | N3' | 3.2° | 0.0° |
| C5' | C6' | N1' | C2' | 1.2° | 0.0° |
| C6' | C5' | C4' | N3' | 1.4° | 0.1° |
| C6' | C5' | C4' | N4' | 179.7° | 179.7° |
| C6' | C5' | C7' | H12 | 4.0° | 19.9° |
| C6' | C5' | C7' | H13 | 122.9° | 139.9° |
| C5 | S1 | C2 | N3 | 19.3° | 0.0° |
| C5 | S1 | C2 | OC2 | 118.4° | 118.2° |
| S1 | C5 | C6 | H10 | 55.2° | 155.0° |
| S1 | C5 | C6 | H11 | 174.9° | 35.0° |
| C5 | S1 | C2 | H14 | 112.6° | 118.4° |
| N3 | C2 | S1 | OC2 | 99.1° | 118.2° |
| N3 | C2 | S1 | H14 | 131.9° | 118.4° |
| N3 | C2 | OC2 | H14 | 127.1° | 123.9° |
| C2 | N3 | C7' | H12 | 127.7° | 150.0° |
| C2 | N3 | C7' | H13 | 8.9° | 30.0° |
| N3 | C2 | OC2 | H18 | 180.0° | 174.2° |
| O1B | PB | O3A | PA | 80.5° | 40.0° |
| O1B | PB | O3B | O3A | 104.2° | 120.0° |
| O1B | PB | O3B | O2B | 118.5° | 120.0° |
| O1B | PB | O3A | O2B | 110.7° | 120.0° |
| O1B | PB | O3B | H17 | 0.0° | 60.1° |
| O1B | PB | O2B | H19 | 0.0° | 179.9° |
| C7 | O7 | PA | O1A | 164.2° | 55.0° |
| C7 | O7 | PA | O3A | 78.3° | 175.0° |
| C7 | O7 | PA | O2A | 38.2° | 65.0° |
| O7 | C7 | H8 | H9 | 120.6° | 120.0° |
| O7 | C7 | C6 | H10 | 56.4° | 60.0° |
| O7 | C7 | C6 | H11 | 63.3° | 60.0° |
| O7 | PA | O1A | O3A | 111.3° | 120.0° |
| O7 | PA | O1A | O2A | 119.4° | 120.0° |
| O7 | PA | O3A | O2A | 113.1° | 120.0° |
| O7 | PA | O3A | PB | 108.1° | 165.0° |
| PA | O7 | C7 | H8 | 83.2° | 60.0° |
| PA | O7 | C7 | H9 | 37.2° | 60.0° |
| O7 | PA | O2A | H20 | 120.0° | 60.1° |
| N1' | C2' | CM2 | N3' | 178.7° | 179.9° |
| N1' | C2' | N3' | C4' | 4.2° | 0.1° |
| C2' | N1' | C6' | H1 | 178.8° | 180.0° |
| 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' | 3.3° | 0.1° |
| C5' | C4' | N3' | N4' | 178.9° | 179.6° |
| C4' | C5' | C6' | H1 | 179.7° | 180.0° |
| C4' | C5' | C7' | H12 | 173.4° | 160.0° |
| C4' | C5' | C7' | H13 | 54.6° | 40.0° |
| C5' | C4' | N4' | H15 | 178.9° | 179.7° |
| C5' | C4' | N4' | H16 | 61.1° | 0.4° |
| S1 | C2 | OC2 | H14 | 124.5° | 123.4° |
| S1 | C2 | OC2 | H18 | 71.6° | 61.5° |
| O1A | PA | O3A | O2A | 132.3° | 120.0° |
| O1A | PA | O3A | PB | 6.4° | 45.0° |
| O1A | PA | O2A | H20 | 0.0° | 180.0° |
| PA | O3A | PB | O3B | 27.6° | 160.0° |
| PA | O3A | PB | O2B | 168.8° | 80.0° |
| O3A | PA | O2A | H20 | 129.5° | 60.0° |
| O2A | PA | O3A | PB | 138.8° | 75.0° |
| O3B | PB | O3A | O2B | 141.2° | 120.0° |
| O3B | PB | O2B | H19 | 117.2° | 60.0° |
| O3A | PB | O3B | H17 | 104.2° | 179.9° |
| O3A | PB | O2B | H19 | 105.2° | 59.9° |
| O2B | PB | O3B | H17 | 118.5° | 60.0° |
| CM2 | C2' | N3' | C4' | 177.2° | 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' | 177.8° | 179.7° |
| N3' | C2' | CM2 | H5 | 178.7° | 90.0° |
| N3' | C2' | CM2 | H6 | 61.3° | 30.1° |
| N3' | C2' | CM2 | H7 | 58.7° | 150.0° |
| N3' | C4' | N4' | H15 | 0.0° | 0.1° |
| N3' | C4' | N4' | H16 | 120.0° | 180.0° |
| C4' | N4' | H15 | H16 | 120.0° | 179.9° |
| H2 | CM4 | H3 | H4 | 120.0° | 120.0° |
| H5 | CM2 | H6 | H7 | 120.0° | 120.0° |
| H8 | C7 | C6 | H10 | 176.2° | 60.1° |
| H8 | C7 | C6 | H11 | 56.5° | 180.0° |
| H9 | C7 | C6 | H10 | 63.4° | 180.0° |
| H9 | C7 | C6 | H11 | 176.8° | 60.0° |
| H14 | C2 | OC2 | H18 | 52.9° | 61.9° |
