IC5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CM | N7 | sing | 1.47Å | 1.47Å | |
| O6 | C6 | doub | 1.22Å | 1.23Å | |
| N7 | C8 | sing | 1.35Å | 1.33Å | Aromatic |
| N7 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | N9 | doub | 1.31Å | 1.33Å | Aromatic |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C6 | C5 | sing | 1.41Å | 1.42Å | |
| C6 | N1 | sing | 1.35Å | 1.38Å | |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| N9 | C4 | sing | 1.34Å | 1.39Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.47Å | |
| N1 | C2 | sing | 1.36Å | 1.36Å | |
| C4 | N3 | sing | 1.35Å | 1.35Å | |
| C4' | C3' | sing | 1.54Å | 1.54Å | |
| C1' | C2' | sing | 1.55Å | 1.50Å | |
| O1A | PA | doub | 1.48Å | 1.48Å | |
| C2 | N3 | doub | 1.31Å | 1.33Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| O2A | PA | sing | 1.61Å | 1.48Å | |
| O5' | PA | sing | 1.61Å | 1.60Å | |
| PA | O3A | sing | 1.61Å | 1.60Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| O3A | PB | sing | 1.61Å | 1.63Å | |
| O3B | PB | doub | 1.48Å | 1.62Å | |
| PB | O2B | sing | 1.61Å | 1.51Å | |
| PB | O1B | sing | 1.61Å | 1.51Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C1' | H5 | sing | 1.09Å | 1.10Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| O2' | H7 | sing | 0.97Å | 0.95Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| O3' | H9 | sing | 0.97Å | 0.95Å | |
| C4' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å | |
| O2A | H13 | sing | 0.97Å | 0.95Å | |
| O1B | H14 | sing | 0.97Å | 0.95Å | |
| O2B | H15 | sing | 0.97Å | 0.95Å | |
| CM | H16 | sing | 1.09Å | 1.10Å | |
| CM | H17 | sing | 1.09Å | 1.10Å | |
| CM | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CM | N7 | C8 | 125.9° | 126.4° |
| CM | N7 | C5 | 126.5° | 126.5° |
| N7 | CM | H16 | 109.5° | 109.5° |
| N7 | CM | H17 | 109.5° | 109.5° |
| N7 | CM | H18 | 109.4° | 109.4° |
| O6 | C6 | C5 | 127.8° | 120.8° |
| O6 | C6 | N1 | 120.5° | 120.8° |
| C8 | N7 | C5 | 107.7° | 107.1° |
| N7 | C8 | N9 | 110.7° | 110.0° |
| N7 | C8 | H4 | 124.7° | 125.1° |
| N7 | C5 | C6 | 132.6° | 134.7° |
| N7 | C5 | C4 | 107.4° | 106.2° |
| C8 | N9 | C4 | 107.3° | 109.8° |
| C8 | N9 | C1' | 127.9° | 125.1° |
| N9 | C8 | H4 | 124.6° | 125.0° |
| C4' | O4' | C1' | 108.8° | 107.0° |
| O4' | C4' | C5' | 108.6° | 109.9° |
| O4' | C4' | C3' | 105.6° | 107.3° |
| O4' | C4' | H10 | 109.1° | 109.9° |
| O4' | C1' | N9 | 109.2° | 110.6° |
| O4' | C1' | C2' | 106.5° | 103.5° |
| O4' | C1' | H5 | 109.8° | 110.8° |
| C5 | C6 | N1 | 111.7° | 118.4° |
| C6 | C5 | C4 | 120.0° | 119.1° |
| C6 | N1 | C2 | 125.3° | 120.3° |
| C6 | N1 | H1 | 117.4° | 119.9° |
| C5 | C4 | N9 | 106.5° | 106.9° |
| C5 | C4 | N3 | 125.8° | 119.3° |
| C4' | C5' | O5' | 109.3° | 109.4° |
| C5' | C4' | C3' | 117.1° | 109.8° |
| C5' | C4' | H10 | 108.3° | 109.9° |
| C4' | C5' | H11 | 109.5° | 109.5° |
| C4' | C5' | H12 | 109.5° | 109.5° |
| C5' | O5' | PA | 118.8° | 123.0° |
| O5' | C5' | H11 | 109.5° | 109.5° |
| O5' | C5' | H12 | 109.5° | 109.5° |
| C4 | N9 | C1' | 124.8° | 125.1° |
| N9 | C4 | N3 | 127.7° | 133.8° |
| N9 | C1' | C2' | 113.6° | 110.6° |
| N9 | C1' | H5 | 109.0° | 110.5° |
| N1 | C2 | N3 | 123.2° | 121.9° |
| N1 | C2 | N2 | 117.0° | 119.1° |
| C2 | N1 | H1 | 117.3° | 119.8° |
| C4 | N3 | C2 | 114.0° | 121.0° |
| C4' | C3' | C2' | 102.9° | 104.1° |
| C4' | C3' | O3' | 111.1° | 110.4° |
| C4' | C3' | H8 | 109.1° | 110.6° |
| C3' | C4' | H10 | 108.0° | 109.9° |
| C1' | C2' | C3' | 101.2° | 102.1° |
| C1' | C2' | O2' | 107.7° | 110.9° |
| C2' | C1' | H5 | 108.7° | 110.7° |
| C1' | C2' | H6 | 111.2° | 111.0° |
| O1A | PA | O2A | 120.0° | 109.5° |
| O1A | PA | O5' | 108.2° | 109.5° |
| O1A | PA | O3A | 108.3° | 109.5° |
| N3 | C2 | N2 | 119.9° | 119.0° |
| C2 | N2 | H2 | 120.0° | 120.0° |
| C2 | N2 | H3 | 120.0° | 120.0° |
| O2A | PA | O5' | 108.3° | 109.5° |
| O2A | PA | O3A | 108.1° | 109.5° |
| PA | O2A | H13 | 109.5° | 114.0° |
| O5' | PA | O3A | 102.5° | 109.5° |
| PA | O3A | PB | 133.1° | 134.0° |
| C2' | C3' | O3' | 113.1° | 110.5° |
| C3' | C2' | O2' | 112.6° | 110.9° |
| C3' | C2' | H6 | 111.1° | 110.9° |
| C2' | C3' | H8 | 109.4° | 110.5° |
| O3' | C3' | H8 | 110.8° | 110.4° |
| C3' | O3' | H9 | 109.5° | 113.9° |
| O2' | C2' | H6 | 112.4° | 110.8° |
| C2' | O2' | H7 | 109.5° | 114.0° |
| O3A | PB | O3B | 106.2° | 109.5° |
| O3A | PB | O2B | 105.8° | 109.5° |
| O3A | PB | O1B | 105.9° | 109.5° |
| O3B | PB | O2B | 112.8° | 109.5° |
| O3B | PB | O1B | 112.8° | 109.5° |
| O2B | PB | O1B | 112.6° | 109.4° |
| PB | O2B | H15 | 109.5° | 114.0° |
| PB | O1B | H14 | 109.5° | 114.0° |
| H2 | N2 | H3 | 120.0° | 120.1° |
| H11 | C5' | H12 | 109.4° | 109.5° |
| H16 | CM | H17 | 109.4° | 109.5° |
| H16 | CM | H18 | 109.5° | 109.5° |
| H17 | CM | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CM | N7 | C8 | C5 | 179.9° | 179.6° |
| CM | N7 | C8 | N9 | 172.8° | 180.0° |
| CM | N7 | C5 | C6 | 4.2° | 0.5° |
| CM | N7 | C5 | C4 | 176.2° | 179.7° |
| CM | N7 | C8 | H4 | 7.2° | 0.6° |
| N7 | CM | H16 | H17 | 120.0° | 120.0° |
| N7 | CM | H16 | H18 | 120.0° | 120.0° |
| N7 | CM | H17 | H18 | 120.0° | 119.9° |
| O6 | C6 | C5 | N7 | 0.2° | 0.5° |
| O6 | C6 | C5 | N1 | 179.8° | 180.0° |
| O6 | C6 | C5 | C4 | 179.9° | 179.6° |
| O6 | C6 | N1 | C2 | 179.9° | 180.0° |
| O6 | C6 | N1 | H1 | 0.1° | 0.2° |
| N7 | C8 | N9 | H4 | 180.0° | 179.3° |
| C8 | N7 | C5 | C6 | 175.8° | 179.1° |
| C8 | N7 | C5 | C4 | 3.9° | 0.0° |
| N7 | C8 | N9 | C4 | 7.6° | 0.6° |
| N7 | C8 | N9 | C1' | 170.9° | 180.0° |
| C8 | N7 | CM | H16 | 180.0° | 89.9° |
| C8 | N7 | CM | H17 | 60.0° | 150.0° |
| C8 | N7 | CM | H18 | 60.0° | 30.1° |
| C5 | N7 | C8 | N9 | 7.2° | 0.4° |
| N7 | C5 | C6 | C4 | 179.6° | 179.1° |
| N7 | C5 | C6 | N1 | 179.9° | 179.5° |
| N7 | C5 | C4 | N9 | 0.7° | 0.3° |
| N7 | C5 | C4 | N3 | 180.0° | 180.0° |
| C5 | N7 | C8 | H4 | 172.8° | 179.7° |
| C5 | N7 | CM | H16 | 0.1° | 90.5° |
| C5 | N7 | CM | H17 | 120.1° | 29.6° |
| C5 | N7 | CM | H18 | 119.9° | 149.5° |
| C8 | N9 | C1' | O4' | 33.2° | 19.0° |
| C8 | N9 | C4 | C5 | 4.9° | 0.6° |
| C8 | N9 | C4 | C1' | 178.6° | 179.4° |
| C8 | N9 | C4 | N3 | 175.8° | 179.8° |
| C8 | N9 | C1' | C2' | 85.5° | 95.0° |
| C8 | N9 | C1' | H5 | 153.2° | 142.1° |
| O4' | C4' | C5' | C3' | 119.4° | 117.8° |
| O4' | C4' | C5' | H10 | 118.3° | 121.2° |
| O4' | C4' | C5' | O5' | 114.7° | 66.4° |
| C4' | O4' | C1' | N9 | 147.6° | 158.6° |
| O4' | C4' | C3' | H10 | 116.5° | 119.5° |
| C4' | O4' | C1' | C2' | 24.6° | 40.1° |
| O4' | C4' | C3' | C2' | 22.5° | 2.1° |
| O4' | C4' | C3' | O3' | 98.9° | 120.7° |
| C4' | O4' | C1' | H5 | 92.9° | 78.5° |
| O4' | C4' | C3' | H8 | 138.6° | 116.7° |
| O4' | C4' | C5' | H11 | 5.3° | 173.6° |
| O4' | C4' | C5' | H12 | 125.3° | 53.5° |
| C1' | O4' | C4' | C5' | 127.2° | 145.9° |
| O4' | C1' | N9 | C4 | 145.0° | 160.2° |
| O4' | C1' | N9 | C2' | 118.7° | 114.0° |
| O4' | C1' | N9 | H5 | 120.0° | 123.0° |
| C1' | O4' | C4' | C3' | 0.9° | 26.5° |
| O4' | C1' | C2' | H5 | 118.2° | 118.7° |
| O4' | C1' | C2' | C3' | 37.9° | 37.0° |
| O4' | C1' | C2' | O2' | 156.3° | 155.2° |
| O4' | C1' | C2' | H6 | 80.1° | 81.2° |
| C1' | O4' | C4' | H10 | 114.9° | 92.9° |
| C6 | C5 | C4 | N9 | 179.6° | 179.6° |
| C5 | C6 | N1 | C2 | 0.2° | 0.0° |
| C6 | C5 | C4 | N3 | 0.3° | 0.7° |
| C5 | C6 | N1 | H1 | 179.8° | 179.7° |
| N1 | C6 | C5 | C4 | 0.3° | 0.4° |
| C6 | N1 | C2 | H1 | 180.0° | 179.7° |
| C6 | N1 | C2 | N3 | 0.1° | 0.2° |
| C6 | N1 | C2 | N2 | 179.7° | 179.7° |
| C5 | C4 | N9 | N3 | 179.3° | 179.6° |
| C5 | C4 | N9 | C1' | 173.6° | 180.0° |
| C5 | C4 | N3 | C2 | 0.2° | 0.5° |
| C4' | C5' | O5' | H11 | 120.0° | 120.0° |
| C4' | C5' | O5' | H12 | 120.0° | 119.9° |
| C5' | C4' | C3' | H10 | 122.5° | 121.1° |
| C4' | C5' | O5' | PA | 121.6° | 180.0° |
| C5' | C4' | C3' | C2' | 98.5° | 121.5° |
| C5' | C4' | C3' | O3' | 140.1° | 119.8° |
| C5' | C4' | C3' | H8 | 17.6° | 2.7° |
| C4' | C5' | H11 | H12 | 120.1° | 120.0° |
| O5' | C5' | C4' | C3' | 4.7° | 175.7° |
| C5' | O5' | PA | O1A | 73.4° | 55.0° |
| C5' | O5' | PA | O2A | 58.2° | 65.0° |
| C5' | O5' | PA | O3A | 172.3° | 175.0° |
| O5' | C5' | C4' | H10 | 126.9° | 54.7° |
| O5' | C5' | H11 | H12 | 120.1° | 120.0° |
| C4 | N9 | C1' | C2' | 96.2° | 85.7° |
| N9 | C4 | N3 | C2 | 179.4° | 179.9° |
| C4 | N9 | C8 | H4 | 172.4° | 180.0° |
| C4 | N9 | C1' | H5 | 25.1° | 37.2° |
| C1' | N9 | C4 | N3 | 5.7° | 0.4° |
| N9 | C1' | C2' | H5 | 121.5° | 122.9° |
| N9 | C1' | C2' | C3' | 158.2° | 155.5° |
| N9 | C1' | C2' | O2' | 83.4° | 86.3° |
| C1' | N9 | C8 | H4 | 9.1° | 0.7° |
| N9 | C1' | C2' | H6 | 40.2° | 37.2° |
| N1 | C2 | N3 | C4 | 0.1° | 0.1° |
| N1 | C2 | N3 | N2 | 179.8° | 179.9° |
| N1 | C2 | N2 | H2 | 179.8° | 0.0° |
| N1 | C2 | N2 | H3 | 0.2° | 180.0° |
| C4 | N3 | C2 | N2 | 179.7° | 180.0° |
| C4' | C3' | C2' | C1' | 35.8° | 20.9° |
| C4' | C3' | C2' | O3' | 120.0° | 118.6° |
| C4' | C3' | C2' | H8 | 115.9° | 118.9° |
| C4' | C3' | O3' | H8 | 121.5° | 122.7° |
| C4' | C3' | C2' | O2' | 150.6° | 139.1° |
| C4' | C3' | C2' | H6 | 82.3° | 97.4° |
| C4' | C3' | O3' | H9 | 180.0° | 176.2° |
| C3' | C4' | C5' | H11 | 124.6° | 55.7° |
| C3' | C4' | C5' | H12 | 115.3° | 64.3° |
| C1' | C2' | C3' | O2' | 114.7° | 118.2° |
| C1' | C2' | C3' | H6 | 118.2° | 118.3° |
| C1' | C2' | C3' | O3' | 84.2° | 97.7° |
| C1' | C2' | O2' | H6 | 122.9° | 123.7° |
| C1' | C2' | O2' | H7 | 180.0° | 180.0° |
| C1' | C2' | C3' | H8 | 151.7° | 139.7° |
| O1A | PA | O2A | O5' | 124.9° | 120.0° |
| O1A | PA | O2A | O3A | 124.7° | 120.0° |
| O1A | PA | O5' | O3A | 114.3° | 120.0° |
| O1A | PA | O3A | PB | 110.9° | 40.0° |
| O1A | PA | O2A | H13 | 0.0° | 180.0° |
| N3 | C2 | N1 | H1 | 179.9° | 179.9° |
| N3 | C2 | N2 | H2 | 0.0° | 180.0° |
| N3 | C2 | N2 | H3 | 180.0° | 0.0° |
| N2 | C2 | N1 | H1 | 0.3° | 0.0° |
| C2 | N2 | H2 | H3 | 180.0° | 180.0° |
| O2A | PA | O5' | O3A | 114.2° | 120.0° |
| O2A | PA | O3A | PB | 117.6° | 80.0° |
| O5' | PA | O3A | PB | 3.3° | 159.9° |
| PA | O5' | C5' | H11 | 1.7° | 60.0° |
| PA | O5' | C5' | H12 | 118.4° | 60.1° |
| O5' | PA | O2A | H13 | 124.9° | 60.0° |
| PA | O3A | PB | O3B | 42.6° | 45.0° |
| PA | O3A | PB | O2B | 77.5° | 75.0° |
| PA | O3A | PB | O1B | 162.8° | 165.0° |
| O3A | PA | O2A | H13 | 124.8° | 60.0° |
| C2' | C3' | O3' | H8 | 123.3° | 122.6° |
| C3' | C2' | O2' | H6 | 126.4° | 123.6° |
| C3' | C2' | C1' | H5 | 80.3° | 81.6° |
| C3' | C2' | O2' | H7 | 69.3° | 67.3° |
| C2' | C3' | O3' | H9 | 64.9° | 61.5° |
| C2' | C3' | C4' | H10 | 139.0° | 117.4° |
| O3' | C3' | C2' | O2' | 30.6° | 20.5° |
| O3' | C3' | C2' | H6 | 157.7° | 144.0° |
| O3' | C3' | C4' | H10 | 17.6° | 1.2° |
| O2' | C2' | C1' | H5 | 38.1° | 36.5° |
| O2' | C2' | C3' | H8 | 93.5° | 102.1° |
| O3A | PB | O3B | O2B | 115.5° | 120.0° |
| O3A | PB | O3B | O1B | 115.6° | 120.0° |
| O3A | PB | O2B | O1B | 115.3° | 120.0° |
| O3A | PB | O1B | H14 | 115.8° | 180.0° |
| O3A | PB | O2B | H15 | 115.7° | 59.9° |
| O3B | PB | O2B | O1B | 129.0° | 120.0° |
| O3B | PB | O1B | H14 | 0.0° | 60.0° |
| O3B | PB | O2B | H15 | 0.0° | 179.9° |
| O2B | PB | O1B | H14 | 129.0° | 60.0° |
| O1B | PB | O2B | H15 | 129.0° | 60.0° |
| H5 | C1' | C2' | H6 | 161.7° | 160.1° |
| H6 | C2' | O2' | H7 | 57.1° | 56.3° |
| H6 | C2' | C3' | H8 | 33.6° | 21.4° |
| H8 | C3' | O3' | H9 | 58.5° | 61.1° |
| H8 | C3' | C4' | H10 | 104.9° | 123.8° |
| H10 | C4' | C5' | H11 | 113.1° | 65.3° |
| H10 | C4' | C5' | H12 | 7.0° | 174.7° |
| H16 | CM | H17 | H18 | 120.0° | 120.0° |
