FMC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.36Å | Aromatic |
| C2 | N3 | sing | 1.31Å | 1.36Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | doub | 1.34Å | 1.43Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.36Å | Aromatic |
| C4 | C9 | sing | 1.41Å | 1.44Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | N7 | sing | 1.37Å | 1.32Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.31Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| N7 | N8 | sing | 1.40Å | 1.39Å | Aromatic |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| N8 | C9 | doub | 1.30Å | 1.35Å | Aromatic |
| C9 | C1' | sing | 1.51Å | 1.52Å | |
| C1' | C2' | sing | 1.54Å | 1.59Å | |
| C1' | O4' | sing | 1.44Å | 1.49Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | O2' | sing | 1.43Å | 1.38Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.55Å | 1.59Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | O4' | sing | 1.44Å | 1.50Å | |
| C4' | C5' | sing | 1.53Å | 1.61Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.46Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 116.3° | 121.2° |
| N1 | C2 | N3 | 127.0° | 122.5° |
| N1 | C2 | H2 | 116.5° | 118.7° |
| N1 | C6 | C5 | 121.4° | 118.6° |
| N1 | C6 | N6 | 118.3° | 120.7° |
| N3 | C2 | H2 | 116.5° | 118.8° |
| C2 | N3 | C4 | 114.8° | 120.6° |
| N3 | C4 | C5 | 119.7° | 118.8° |
| N3 | C4 | C9 | 133.3° | 134.4° |
| C5 | C4 | C9 | 106.7° | 106.9° |
| C4 | C5 | C6 | 120.5° | 118.4° |
| C4 | C5 | N7 | 106.6° | 106.8° |
| C4 | C9 | N8 | 108.8° | 108.7° |
| C4 | C9 | C1' | 128.5° | 125.6° |
| C6 | C5 | N7 | 132.9° | 134.9° |
| C5 | C6 | N6 | 120.3° | 120.7° |
| C5 | N7 | N8 | 114.1° | 108.0° |
| C5 | N7 | HN7 | 122.9° | 126.0° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| HN6 | N6 | HN6A | 109.4° | 120.0° |
| N8 | N7 | HN7 | 123.0° | 126.0° |
| N7 | N8 | C9 | 103.8° | 109.6° |
| N8 | C9 | C1' | 122.6° | 125.6° |
| C9 | C1' | C2' | 115.8° | 109.9° |
| C9 | C1' | O4' | 118.9° | 109.9° |
| C9 | C1' | H1' | 95.0° | 109.8° |
| C2' | C1' | O4' | 98.8° | 107.3° |
| C2' | C1' | H1' | 116.4° | 109.9° |
| C1' | C2' | O2' | 115.2° | 110.5° |
| C1' | C2' | C3' | 97.8° | 104.2° |
| C1' | C2' | H2' | 109.8° | 110.5° |
| O4' | C1' | H1' | 113.2° | 110.0° |
| C1' | O4' | C4' | 109.4° | 106.9° |
| O2' | C2' | C3' | 95.9° | 110.5° |
| O2' | C2' | H2' | 111.4° | 110.5° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C3' | C2' | H2' | 126.0° | 110.5° |
| C2' | C3' | O3' | 107.0° | 110.9° |
| C2' | C3' | C4' | 98.8° | 102.1° |
| C2' | C3' | H3' | 122.0° | 110.9° |
| O3' | C3' | C4' | 120.4° | 110.9° |
| O3' | C3' | H3' | 101.1° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C4' | C3' | H3' | 109.0° | 110.9° |
| C3' | C4' | O4' | 102.5° | 103.5° |
| C3' | C4' | C5' | 107.0° | 110.6° |
| C3' | C4' | H4' | 118.2° | 110.6° |
| O4' | C4' | C5' | 116.8° | 110.6° |
| O4' | C4' | H4' | 108.7° | 110.6° |
| C5' | C4' | H4' | 104.3° | 110.6° |
| C4' | C5' | O5' | 120.3° | 109.5° |
| C4' | C5' | H5' | 106.1° | 109.5° |
| C4' | C5' | H5'A | 106.0° | 109.5° |
| O5' | C5' | H5' | 106.0° | 109.5° |
| O5' | C5' | H5'A | 106.0° | 109.4° |
| C5' | O5' | HO5' | 109.5° | 114.0° |
| H5' | C5' | H5'A | 112.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C6 | C5 | 1.4° | 0.0° |
| C2 | N1 | C6 | N6 | 177.3° | 180.0° |
| C6 | N1 | C2 | N3 | 1.5° | 0.0° |
| C6 | N1 | C2 | H2 | 178.5° | 180.0° |
| N1 | C6 | C5 | C4 | 5.7° | 0.0° |
| N1 | C6 | C5 | N6 | 178.6° | 179.9° |
| N1 | C6 | C5 | N7 | 173.7° | 180.0° |
| N1 | C6 | N6 | HN6 | 0.0° | 0.0° |
| N1 | C6 | N6 | HN6A | 120.0° | 180.0° |
| C2 | N3 | C4 | C5 | 4.2° | 0.1° |
| C2 | N3 | C4 | C9 | 177.5° | 180.0° |
| H2 | C2 | N3 | C4 | 179.9° | 180.0° |
| N3 | C4 | C5 | C9 | 174.9° | 179.9° |
| N3 | C4 | C5 | C6 | 7.0° | 0.0° |
| N3 | C4 | C5 | N7 | 172.5° | 180.0° |
| N3 | C4 | C9 | N8 | 170.9° | 179.9° |
| N3 | C4 | C9 | C1' | 3.8° | 0.0° |
| C4 | C5 | C6 | N7 | 179.4° | 180.0° |
| C4 | C5 | C6 | N6 | 173.0° | 180.0° |
| C4 | C5 | N7 | N8 | 1.1° | 0.0° |
| C4 | C5 | N7 | HN7 | 178.8° | 179.9° |
| C5 | C4 | C9 | N8 | 3.0° | 0.0° |
| C5 | C4 | C9 | C1' | 177.7° | 180.0° |
| C9 | C4 | C5 | C6 | 178.0° | 180.0° |
| C9 | C4 | C5 | N7 | 2.5° | 0.0° |
| C4 | C9 | N8 | N7 | 2.3° | 0.0° |
| C4 | C9 | N8 | C1' | 175.1° | 180.0° |
| C4 | C9 | C1' | C2' | 79.5° | 105.0° |
| C4 | C9 | C1' | O4' | 163.1° | 137.2° |
| C4 | C9 | C1' | H1' | 43.1° | 16.0° |
| C5 | C6 | N6 | HN6 | 178.7° | 180.0° |
| C5 | C6 | N6 | HN6A | 61.3° | 0.0° |
| C6 | C5 | N7 | N8 | 179.4° | 180.0° |
| C6 | C5 | N7 | HN7 | 0.6° | 0.1° |
| N7 | C5 | C6 | N6 | 7.7° | 0.1° |
| C5 | N7 | N8 | HN7 | 180.0° | 179.9° |
| C5 | N7 | N8 | C9 | 0.8° | 0.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| N7 | N8 | C9 | C1' | 177.3° | 180.0° |
| HN7 | N7 | N8 | C9 | 179.2° | 179.9° |
| N8 | C9 | C1' | C2' | 106.5° | 75.1° |
| N8 | C9 | C1' | O4' | 10.9° | 42.8° |
| N8 | C9 | C1' | H1' | 130.9° | 164.0° |
| C9 | C1' | C2' | O4' | 128.2° | 119.4° |
| C9 | C1' | C2' | H1' | 110.4° | 121.0° |
| C9 | C1' | O4' | H1' | 110.2° | 121.1° |
| C9 | C1' | C2' | O2' | 79.3° | 119.9° |
| C9 | C1' | C2' | C3' | 179.7° | 121.4° |
| C9 | C1' | C2' | H2' | 47.4° | 2.7° |
| C9 | C1' | O4' | C4' | 155.5° | 145.9° |
| C2' | C1' | O4' | H1' | 123.8° | 119.5° |
| C1' | C2' | O2' | C3' | 101.6° | 114.8° |
| C1' | C2' | O2' | H2' | 125.9° | 122.6° |
| C1' | C2' | C3' | H2' | 121.5° | 118.7° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | O3' | 71.7° | 139.1° |
| C1' | C2' | C3' | C4' | 54.0° | 20.9° |
| C1' | C2' | C3' | H3' | 172.9° | 97.3° |
| C2' | C1' | O4' | C4' | 29.4° | 26.5° |
| O4' | C1' | C2' | O2' | 152.5° | 120.7° |
| O4' | C1' | C2' | C3' | 52.1° | 2.0° |
| O4' | C1' | C2' | H2' | 80.8° | 116.8° |
| C1' | O4' | C4' | C3' | 3.4° | 40.1° |
| C1' | O4' | C4' | C5' | 113.2° | 158.6° |
| C1' | O4' | C4' | H4' | 129.2° | 78.5° |
| H1' | C1' | C2' | O2' | 31.1° | 1.1° |
| H1' | C1' | C2' | C3' | 69.3° | 117.6° |
| H1' | C1' | C2' | H2' | 157.8° | 123.6° |
| H1' | C1' | O4' | C4' | 94.3° | 93.0° |
| O2' | C2' | C3' | H2' | 121.9° | 122.6° |
| O2' | C2' | C3' | O3' | 44.8° | 20.4° |
| O2' | C2' | C3' | C4' | 170.5° | 97.8° |
| O2' | C2' | C3' | H3' | 70.5° | 144.0° |
| C3' | C2' | O2' | HO2' | 78.4° | 65.3° |
| C2' | C3' | O3' | C4' | 111.4° | 112.7° |
| C2' | C3' | O3' | H3' | 128.6° | 123.7° |
| C2' | C3' | C4' | H3' | 128.3° | 118.2° |
| C2' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C2' | C3' | C4' | O4' | 36.6° | 37.1° |
| C2' | C3' | C4' | C5' | 86.8° | 155.6° |
| C2' | C3' | C4' | H4' | 156.0° | 81.4° |
| H2' | C2' | O2' | HO2' | 54.1° | 57.4° |
| H2' | C2' | C3' | O3' | 166.8° | 102.2° |
| H2' | C2' | C3' | C4' | 67.6° | 139.7° |
| H2' | C2' | C3' | H3' | 51.4° | 21.4° |
| O3' | C3' | C4' | H3' | 116.0° | 123.6° |
| O3' | C3' | C4' | O4' | 79.1° | 155.2° |
| O3' | C3' | C4' | C5' | 157.5° | 86.3° |
| O3' | C3' | C4' | H4' | 40.3° | 36.7° |
| C4' | C3' | O3' | HO3' | 68.6° | 67.3° |
| C3' | C4' | O4' | C5' | 116.6° | 118.5° |
| C3' | C4' | O4' | H4' | 125.9° | 118.5° |
| C3' | C4' | C5' | H4' | 126.0° | 123.0° |
| C3' | C4' | C5' | O5' | 155.6° | 175.0° |
| C3' | C4' | C5' | H5' | 35.6° | 55.0° |
| C3' | C4' | C5' | H5'A | 84.4° | 65.0° |
| H3' | C3' | O3' | HO3' | 51.4° | 56.4° |
| H3' | C3' | C4' | O4' | 164.9° | 81.2° |
| H3' | C3' | C4' | C5' | 41.5° | 37.3° |
| H3' | C3' | C4' | H4' | 75.7° | 160.3° |
| O4' | C4' | C5' | H4' | 119.9° | 122.9° |
| O4' | C4' | C5' | O5' | 90.4° | 70.9° |
| O4' | C4' | C5' | H5' | 149.6° | 169.1° |
| O4' | C4' | C5' | H5'A | 29.6° | 49.1° |
| C4' | C5' | O5' | H5' | 120.0° | 120.1° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 115.5° | 120.0° |
| C4' | C5' | O5' | HO5' | 180.0° | 180.0° |
| H4' | C4' | C5' | O5' | 29.6° | 52.0° |
| H4' | C4' | C5' | H5' | 90.4° | 68.0° |
| H4' | C4' | C5' | H5'A | 149.6° | 172.0° |
| O5' | C5' | H5' | H5'A | 115.5° | 119.9° |
| H5' | C5' | O5' | HO5' | 60.0° | 59.9° |
| H5'A | C5' | O5' | HO5' | 60.0° | 60.0° |
