SFB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1A | C2A | doub | 1.32Å | 1.34Å | Aromatic |
| N1A | C6A | sing | 1.33Å | 1.36Å | Aromatic |
| C1B | C2B | sing | 1.54Å | 1.52Å | |
| C1B | O4B | sing | 1.44Å | 1.43Å | |
| C1B | N9A | sing | 1.46Å | 1.49Å | |
| C1C | N1D | sing | 1.46Å | 1.50Å | |
| C1C | C2C | sing | 1.54Å | 1.52Å | |
| C1C | O4C | sing | 1.44Å | 1.44Å | |
| N1D | C2D | sing | 1.35Å | 1.46Å | |
| N1D | C6D | sing | 1.37Å | 1.43Å | |
| C1S | C3C | sing | 1.53Å | 1.52Å | |
| C1S | SAS | sing | 1.81Å | 1.68Å | |
| O1S | SAS | doub | 1.42Å | 1.44Å | |
| C2A | N3A | sing | 1.32Å | 1.34Å | Aromatic |
| C2B | O2B | sing | 1.43Å | 1.43Å | |
| C2B | C3B | sing | 1.55Å | 1.52Å | |
| C2C | O2C | sing | 1.43Å | 1.43Å | |
| C2C | C3C | sing | 1.55Å | 1.53Å | |
| C2D | O2D | doub | 1.22Å | 1.23Å | |
| C2D | N3D | sing | 1.35Å | 1.42Å | |
| O2S | SAS | doub | 1.42Å | 1.44Å | |
| N3A | C4A | doub | 1.33Å | 1.36Å | Aromatic |
| C3B | O3B | sing | 1.43Å | 1.43Å | |
| C3B | C4B | sing | 1.55Å | 1.53Å | |
| C3C | C4C | sing | 1.55Å | 1.53Å | |
| N3D | C4D | sing | 1.35Å | 1.45Å | |
| N3S | C5B | sing | 1.35Å | 1.46Å | |
| N3S | SAS | sing | 1.66Å | 1.61Å | |
| C4A | C5A | sing | 1.41Å | 1.38Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.34Å | Aromatic |
| C4B | O4B | sing | 1.44Å | 1.44Å | |
| C4B | C5B | sing | 1.51Å | 1.53Å | |
| C4C | O4C | sing | 1.44Å | 1.43Å | |
| C4C | C5C | sing | 1.53Å | 1.52Å | |
| C4D | O4D | doub | 1.22Å | 1.20Å | |
| C4D | C5D | sing | 1.42Å | 1.46Å | |
| C5A | C6A | doub | 1.41Å | 1.39Å | Aromatic |
| C5A | N7A | sing | 1.35Å | 1.35Å | Aromatic |
| C5B | O5B | doub | 1.21Å | 1.43Å | |
| C5C | O5C | sing | 1.43Å | 1.44Å | |
| C5D | C6D | doub | 1.35Å | 1.36Å | |
| C6A | N6A | sing | 1.38Å | 1.35Å | |
| N7A | C8A | doub | 1.30Å | 1.36Å | Aromatic |
| C8A | N9A | sing | 1.36Å | 1.35Å | Aromatic |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| C1C | H1C | sing | 1.09Å | 1.10Å | |
| C1S | H1S | sing | 1.09Å | 1.10Å | |
| C1S | H1SA | sing | 1.09Å | 1.10Å | |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å | |
| C2C | H2C | sing | 1.09Å | 1.10Å | |
| O2C | HO2C | sing | 0.97Å | 0.95Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| O3B | HO3B | sing | 0.97Å | 0.95Å | |
| C3C | H3C | sing | 1.09Å | 1.10Å | |
| N3D | HN3D | sing | 0.97Å | 1.00Å | |
| N3S | HN3S | sing | 0.97Å | 1.00Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| C4C | H4C | sing | 1.09Å | 1.10Å | |
| C5C | H5C | sing | 1.09Å | 1.10Å | |
| C5C | H5CA | sing | 1.09Å | 1.10Å | |
| O5C | HO5C | sing | 0.97Å | 0.95Å | |
| C5D | H5D | sing | 1.08Å | 1.08Å | |
| N6A | HN6A | sing | 0.97Å | 1.00Å | |
| N6A | HN6B | sing | 0.97Å | 1.00Å | |
| C6D | H6D | sing | 1.08Å | 1.08Å | |
| C8A | H8A | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2A | N1A | C6A | 120.5° | 121.2° |
| N1A | C2A | N3A | 121.0° | 122.5° |
| N1A | C2A | H2A | 119.5° | 118.8° |
| N1A | C6A | C5A | 119.7° | 118.5° |
| N1A | C6A | N6A | 119.6° | 120.8° |
| C2B | C1B | O4B | 107.0° | 107.3° |
| C2B | C1B | N9A | 110.4° | 109.9° |
| C1B | C2B | O2B | 109.6° | 110.5° |
| C1B | C2B | C3B | 105.5° | 104.2° |
| C2B | C1B | H1B | 112.5° | 109.8° |
| C1B | C2B | H2B | 112.5° | 110.5° |
| O4B | C1B | N9A | 114.6° | 109.9° |
| C1B | O4B | C4B | 109.4° | 107.0° |
| O4B | C1B | H1B | 108.1° | 109.9° |
| C1B | N9A | C4A | 123.3° | 126.3° |
| C1B | N9A | C8A | 128.5° | 126.2° |
| N9A | C1B | H1B | 104.4° | 110.0° |
| N1D | C1C | C2C | 103.6° | 109.9° |
| N1D | C1C | O4C | 117.9° | 109.9° |
| C1C | N1D | C2D | 108.9° | 119.7° |
| C1C | N1D | C6D | 129.7° | 119.7° |
| N1D | C1C | H1C | 107.3° | 109.8° |
| C2C | C1C | O4C | 107.4° | 107.3° |
| C1C | C2C | O2C | 109.9° | 110.5° |
| C1C | C2C | C3C | 105.1° | 104.2° |
| C2C | C1C | H1C | 117.8° | 109.8° |
| C1C | C2C | H2C | 113.8° | 110.5° |
| C1C | O4C | C4C | 111.2° | 106.9° |
| O4C | C1C | H1C | 103.5° | 110.0° |
| C2D | N1D | C6D | 121.1° | 120.6° |
| N1D | C2D | O2D | 125.8° | 119.5° |
| N1D | C2D | N3D | 112.8° | 121.0° |
| N1D | C6D | C5D | 124.6° | 119.7° |
| N1D | C6D | H6D | 117.7° | 120.1° |
| C3C | C1S | SAS | 111.6° | 109.5° |
| C1S | C3C | C2C | 120.7° | 110.9° |
| C1S | C3C | C4C | 124.4° | 110.9° |
| C3C | C1S | H1S | 108.8° | 109.5° |
| C3C | C1S | H1SA | 108.7° | 109.5° |
| C1S | C3C | H3C | 81.7° | 110.8° |
| C1S | SAS | O1S | 112.0° | 110.5° |
| C1S | SAS | O2S | 111.2° | 110.5° |
| C1S | SAS | N3S | 107.4° | 104.4° |
| SAS | C1S | H1S | 108.8° | 109.5° |
| SAS | C1S | H1SA | 108.7° | 109.5° |
| O1S | SAS | O2S | 109.4° | 121.1° |
| O1S | SAS | N3S | 107.3° | 104.3° |
| C2A | N3A | C4A | 120.6° | 120.7° |
| N3A | C2A | H2A | 119.5° | 118.8° |
| O2B | C2B | C3B | 111.0° | 110.5° |
| O2B | C2B | H2B | 107.2° | 110.4° |
| C2B | O2B | HO2B | 109.5° | 114.0° |
| C2B | C3B | O3B | 110.4° | 110.9° |
| C2B | C3B | C4B | 105.9° | 102.1° |
| C3B | C2B | H2B | 111.2° | 110.6° |
| C2B | C3B | H3B | 111.6° | 110.9° |
| O2C | C2C | C3C | 114.3° | 110.5° |
| O2C | C2C | H2C | 104.6° | 110.4° |
| C2C | O2C | HO2C | 109.5° | 113.9° |
| C2C | C3C | C4C | 106.7° | 102.1° |
| C3C | C2C | H2C | 109.4° | 110.6° |
| C2C | C3C | H3C | 112.7° | 111.0° |
| O2D | C2D | N3D | 121.4° | 119.6° |
| C2D | N3D | C4D | 127.1° | 120.2° |
| C2D | N3D | HN3D | 116.4° | 119.9° |
| O2S | SAS | N3S | 109.5° | 104.3° |
| N3A | C4A | C5A | 119.7° | 119.1° |
| N3A | C4A | N9A | 132.3° | 134.9° |
| O3B | C3B | C4B | 110.6° | 110.9° |
| O3B | C3B | H3B | 107.0° | 110.8° |
| C3B | O3B | HO3B | 109.5° | 114.0° |
| C3B | C4B | O4B | 106.5° | 103.5° |
| C3B | C4B | C5B | 113.1° | 110.6° |
| C4B | C3B | H3B | 111.4° | 110.9° |
| C3B | C4B | H4B | 109.0° | 110.6° |
| C3C | C4C | O4C | 105.9° | 103.5° |
| C3C | C4C | C5C | 111.4° | 110.6° |
| C4C | C3C | H3C | 106.4° | 111.0° |
| C3C | C4C | H4C | 109.8° | 110.7° |
| N3D | C4D | O4D | 119.1° | 120.3° |
| N3D | C4D | C5D | 116.2° | 119.4° |
| C4D | N3D | HN3D | 116.5° | 119.9° |
| C5B | N3S | SAS | 120.0° | 120.0° |
| N3S | C5B | C4B | 113.0° | 120.0° |
| N3S | C5B | O5B | 110.1° | 120.0° |
| C5B | N3S | HN3S | 120.0° | 120.0° |
| SAS | N3S | HN3S | 120.0° | 120.0° |
| C5A | C4A | N9A | 108.0° | 106.0° |
| C4A | C5A | C6A | 118.5° | 118.2° |
| C4A | C5A | N7A | 107.4° | 107.2° |
| C4A | N9A | C8A | 108.2° | 107.4° |
| O4B | C4B | C5B | 109.3° | 110.6° |
| O4B | C4B | H4B | 112.8° | 110.6° |
| C4B | C5B | O5B | 109.3° | 120.0° |
| C5B | C4B | H4B | 106.2° | 110.7° |
| O4C | C4C | C5C | 106.7° | 110.6° |
| O4C | C4C | H4C | 114.2° | 110.6° |
| C4C | C5C | O5C | 109.5° | 109.5° |
| C5C | C4C | H4C | 108.9° | 110.6° |
| C4C | C5C | H5C | 109.5° | 109.4° |
| C4C | C5C | H5CA | 109.5° | 109.5° |
| O4D | C4D | C5D | 124.7° | 120.3° |
| C4D | C5D | C6D | 118.2° | 119.1° |
| C4D | C5D | H5D | 120.9° | 120.5° |
| C6A | C5A | N7A | 134.1° | 134.7° |
| C5A | C6A | N6A | 120.7° | 120.8° |
| C5A | N7A | C8A | 107.6° | 109.4° |
| O5C | C5C | H5C | 109.5° | 109.5° |
| O5C | C5C | H5CA | 109.5° | 109.5° |
| C5C | O5C | HO5C | 109.5° | 114.0° |
| C6D | C5D | H5D | 120.8° | 120.4° |
| C5D | C6D | H6D | 117.7° | 120.2° |
| C6A | N6A | HN6A | 109.5° | 120.0° |
| C6A | N6A | HN6B | 109.5° | 120.0° |
| N7A | C8A | N9A | 108.9° | 110.0° |
| N7A | C8A | H8A | 125.6° | 125.0° |
| N9A | C8A | H8A | 125.5° | 125.1° |
| H1S | C1S | H1SA | 110.2° | 109.4° |
| H5C | C5C | H5CA | 109.5° | 109.5° |
| HN6A | N6A | HN6B | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1A | C2A | N3A | H2A | 180.0° | 180.0° |
| N1A | C2A | N3A | C4A | 0.2° | 0.0° |
| C2A | N1A | C6A | C5A | 0.3° | 0.0° |
| C2A | N1A | C6A | N6A | 179.9° | 180.0° |
| C6A | N1A | C2A | N3A | 0.1° | 0.0° |
| N1A | C6A | C5A | C4A | 0.3° | 0.0° |
| N1A | C6A | C5A | N6A | 179.5° | 179.9° |
| N1A | C6A | C5A | N7A | 179.8° | 179.9° |
| C6A | N1A | C2A | H2A | 179.9° | 179.9° |
| N1A | C6A | N6A | HN6A | 0.0° | 0.1° |
| N1A | C6A | N6A | HN6B | 120.0° | 180.0° |
| C2B | C1B | O4B | N9A | 122.7° | 119.5° |
| C2B | C1B | O4B | H1B | 121.3° | 119.4° |
| C2B | C1B | N9A | H1B | 121.1° | 121.0° |
| C1B | C2B | O2B | C3B | 116.1° | 114.8° |
| C1B | C2B | O2B | H2B | 122.4° | 122.6° |
| C1B | C2B | C3B | H2B | 122.2° | 118.7° |
| C1B | C2B | C3B | O3B | 118.1° | 139.1° |
| C1B | C2B | C3B | C4B | 1.7° | 20.9° |
| C2B | C1B | N9A | C4A | 113.0° | 84.9° |
| C2B | C1B | O4B | C4B | 24.4° | 26.5° |
| C2B | C1B | N9A | C8A | 66.0° | 95.1° |
| C1B | C2B | O2B | HO2B | 180.0° | 180.0° |
| C1B | C2B | C3B | H3B | 123.0° | 97.3° |
| O4B | C1B | N9A | H1B | 118.1° | 121.1° |
| O4B | C1B | C2B | O2B | 135.0° | 120.7° |
| O4B | C1B | C2B | C3B | 15.5° | 2.0° |
| C1B | O4B | C4B | C3B | 23.2° | 40.0° |
| O4B | C1B | N9A | C4A | 126.1° | 157.2° |
| C1B | O4B | C4B | C5B | 145.7° | 158.6° |
| O4B | C1B | N9A | C8A | 54.8° | 22.8° |
| O4B | C1B | C2B | H2B | 105.9° | 116.8° |
| C1B | O4B | C4B | H4B | 96.3° | 78.4° |
| N9A | C1B | C2B | O2B | 99.7° | 119.8° |
| N9A | C1B | C2B | C3B | 140.8° | 121.5° |
| C1B | N9A | C4A | N3A | 0.6° | 0.0° |
| C1B | N9A | C4A | C5A | 179.2° | 180.0° |
| C1B | N9A | C4A | C8A | 179.2° | 180.0° |
| N9A | C1B | O4B | C4B | 147.2° | 145.9° |
| C1B | N9A | C8A | N7A | 179.2° | 180.0° |
| N9A | C1B | C2B | H2B | 19.4° | 2.7° |
| C1B | N9A | C8A | H8A | 0.8° | 0.0° |
| N1D | C1C | C2C | O4C | 125.5° | 119.4° |
| N1D | C1C | C2C | H1C | 118.3° | 121.0° |
| N1D | C1C | O4C | H1C | 118.2° | 121.0° |
| C1C | N1D | C2D | C6D | 174.3° | 179.7° |
| N1D | C1C | C2C | O2C | 101.4° | 119.9° |
| N1D | C1C | C2C | C3C | 135.1° | 121.4° |
| C1C | N1D | C2D | O2D | 5.9° | 0.0° |
| C1C | N1D | C2D | N3D | 174.2° | 180.0° |
| N1D | C1C | O4C | C4C | 135.4° | 146.0° |
| C1C | N1D | C6D | C5D | 172.9° | 179.7° |
| N1D | C1C | C2C | H2C | 15.5° | 2.7° |
| C1C | N1D | C6D | H6D | 7.1° | 0.0° |
| C2C | C1C | O4C | H1C | 125.3° | 119.5° |
| C2C | C1C | N1D | C2D | 116.6° | 115.0° |
| C2C | C1C | N1D | C6D | 69.7° | 65.3° |
| C1C | C2C | C3C | C1S | 152.0° | 139.1° |
| C1C | C2C | O2C | C3C | 117.9° | 114.8° |
| C1C | C2C | O2C | H2C | 122.6° | 122.6° |
| C1C | C2C | C3C | H2C | 122.6° | 118.7° |
| C1C | C2C | C3C | C4C | 2.1° | 20.9° |
| C2C | C1C | O4C | C4C | 19.0° | 26.5° |
| C1C | C2C | O2C | HO2C | 180.0° | 61.5° |
| C1C | C2C | C3C | H3C | 114.3° | 97.3° |
| O4C | C1C | N1D | C2D | 125.0° | 127.1° |
| O4C | C1C | N1D | C6D | 48.7° | 52.6° |
| O4C | C1C | C2C | O2C | 133.0° | 120.7° |
| O4C | C1C | C2C | C3C | 9.6° | 2.0° |
| C1C | O4C | C4C | C3C | 20.0° | 40.1° |
| C1C | O4C | C4C | C5C | 138.8° | 158.6° |
| O4C | C1C | C2C | H2C | 110.1° | 116.7° |
| C1C | O4C | C4C | H4C | 100.8° | 78.5° |
| N1D | C2D | O2D | N3D | 179.9° | 180.0° |
| N1D | C2D | N3D | C4D | 0.1° | 0.0° |
| C2D | N1D | C6D | C5D | 0.1° | 0.5° |
| C2D | N1D | C1C | H1C | 8.8° | 6.0° |
| N1D | C2D | N3D | HN3D | 179.9° | 179.9° |
| C2D | N1D | C6D | H6D | 179.9° | 179.7° |
| C6D | N1D | C2D | O2D | 179.8° | 179.7° |
| C6D | N1D | C2D | N3D | 0.2° | 0.3° |
| N1D | C6D | C5D | C4D | 0.0° | 0.5° |
| N1D | C6D | C5D | H6D | 180.0° | 179.8° |
| C6D | N1D | C1C | H1C | 164.9° | 173.7° |
| N1D | C6D | C5D | H5D | 179.9° | 179.7° |
| C3C | C1S | SAS | H1S | 120.0° | 120.0° |
| C3C | C1S | SAS | H1SA | 120.0° | 120.0° |
| C3C | C1S | SAS | O1S | 65.7° | 64.0° |
| C1S | C3C | C2C | O2C | 31.4° | 20.4° |
| C1S | C3C | C2C | C4C | 149.8° | 118.2° |
| C1S | C3C | C2C | H3C | 93.8° | 123.6° |
| C3C | C1S | SAS | O2S | 57.0° | 72.8° |
| C1S | C3C | C4C | H3C | 91.0° | 123.6° |
| C3C | C1S | SAS | N3S | 176.8° | 175.6° |
| C1S | C3C | C4C | O4C | 161.5° | 155.2° |
| C1S | C3C | C4C | C5C | 82.9° | 86.3° |
| C3C | C1S | H1S | H1SA | 119.1° | 120.0° |
| C1S | C3C | C2C | H2C | 85.5° | 102.2° |
| C1S | C3C | C4C | H4C | 37.8° | 36.7° |
| C1S | SAS | O1S | O2S | 123.7° | 131.5° |
| C1S | SAS | O1S | N3S | 117.6° | 111.7° |
| SAS | C1S | C3C | C2C | 133.9° | 66.6° |
| C1S | SAS | O2S | N3S | 118.5° | 111.7° |
| SAS | C1S | C3C | C4C | 81.8° | 179.2° |
| C1S | SAS | N3S | C5B | 41.9° | 65.0° |
| SAS | C1S | H1S | H1SA | 119.1° | 120.0° |
| SAS | C1S | C3C | H3C | 22.4° | 57.1° |
| C1S | SAS | N3S | HN3S | 138.1° | 115.0° |
| O1S | SAS | O2S | N3S | 117.3° | 116.8° |
| O1S | SAS | N3S | C5B | 78.7° | 51.0° |
| O1S | SAS | C1S | H1S | 54.3° | 176.0° |
| O1S | SAS | C1S | H1SA | 174.3° | 56.0° |
| O1S | SAS | N3S | HN3S | 101.3° | 128.9° |
| C2A | N3A | C4A | C5A | 0.2° | 0.0° |
| C2A | N3A | C4A | N9A | 180.0° | 180.0° |
| O2B | C2B | C3B | H2B | 119.2° | 122.6° |
| O2B | C2B | C3B | O3B | 0.5° | 20.4° |
| O2B | C2B | C3B | C4B | 120.3° | 97.8° |
| O2B | C2B | C1B | H1B | 16.5° | 1.3° |
| O2B | C2B | C3B | H3B | 118.4° | 144.0° |
| C2B | C3B | O3B | C4B | 116.9° | 112.7° |
| C2B | C3B | O3B | H3B | 121.6° | 123.7° |
| C2B | C3B | C4B | H3B | 121.5° | 118.2° |
| C2B | C3B | C4B | O4B | 12.6° | 37.0° |
| C2B | C3B | C4B | C5B | 132.6° | 155.5° |
| C3B | C2B | C1B | H1B | 103.0° | 117.4° |
| C3B | C2B | O2B | HO2B | 63.9° | 65.2° |
| C2B | C3B | O3B | HO3B | 180.0° | 180.0° |
| C2B | C3B | C4B | H4B | 109.4° | 81.5° |
| O2C | C2C | C3C | H2C | 116.9° | 122.6° |
| O2C | C2C | C3C | C4C | 118.4° | 97.8° |
| O2C | C2C | C1C | H1C | 16.9° | 1.1° |
| O2C | C2C | C3C | H3C | 125.2° | 143.9° |
| C2C | C3C | C4C | H3C | 120.5° | 118.3° |
| C2C | C3C | C4C | O4C | 13.1° | 37.1° |
| C2C | C3C | C4C | C5C | 128.7° | 155.6° |
| C3C | C2C | C1C | H1C | 106.6° | 117.6° |
| C2C | C3C | C1S | H1S | 106.1° | 173.4° |
| C2C | C3C | C1S | H1SA | 13.9° | 53.5° |
| C3C | C2C | O2C | HO2C | 62.1° | 176.3° |
| C2C | C3C | C4C | H4C | 110.6° | 81.5° |
| O2D | C2D | N3D | C4D | 179.8° | 180.0° |
| O2D | C2D | N3D | HN3D | 0.2° | 0.1° |
| C2D | N3D | C4D | HN3D | 180.0° | 179.9° |
| C2D | N3D | C4D | O4D | 179.9° | 180.0° |
| C2D | N3D | C4D | C5D | 0.1° | 0.1° |
| O2S | SAS | N3S | C5B | 162.7° | 178.9° |
| O2S | SAS | C1S | H1S | 177.0° | 47.2° |
| O2S | SAS | C1S | H1SA | 62.9° | 167.2° |
| O2S | SAS | N3S | HN3S | 17.3° | 1.1° |
| N3A | C4A | C5A | N9A | 179.8° | 179.9° |
| N3A | C4A | C5A | C6A | 0.0° | 0.0° |
| N3A | C4A | C5A | N7A | 179.9° | 180.0° |
| N3A | C4A | N9A | C8A | 179.8° | 180.0° |
| C4A | N3A | C2A | H2A | 179.8° | 180.0° |
| O3B | C3B | C4B | H3B | 118.9° | 123.6° |
| O3B | C3B | C4B | O4B | 132.2° | 155.2° |
| O3B | C3B | C4B | C5B | 107.7° | 86.3° |
| O3B | C3B | C2B | H2B | 119.7° | 102.2° |
| O3B | C3B | C4B | H4B | 10.2° | 36.7° |
| C3B | C4B | C5B | N3S | 69.1° | 65.0° |
| C3B | C4B | O4B | C5B | 122.5° | 118.5° |
| C3B | C4B | O4B | H4B | 119.5° | 118.5° |
| C3B | C4B | C5B | H4B | 119.5° | 122.9° |
| C3B | C4B | C5B | O5B | 53.8° | 115.0° |
| C4B | C3B | C2B | H2B | 120.6° | 139.6° |
| C4B | C3B | O3B | HO3B | 63.1° | 67.3° |
| C3C | C4C | O4C | C5C | 118.8° | 118.5° |
| C3C | C4C | O4C | H4C | 120.9° | 118.6° |
| C3C | C4C | C5C | H4C | 121.2° | 123.0° |
| C3C | C4C | C5C | O5C | 48.7° | 174.9° |
| C4C | C3C | C1S | H1S | 38.2° | 60.8° |
| C4C | C3C | C1S | H1SA | 158.2° | 59.2° |
| C4C | C3C | C2C | H2C | 124.7° | 139.6° |
| C3C | C4C | C5C | H5C | 168.7° | 54.8° |
| C3C | C4C | C5C | H5CA | 71.3° | 65.1° |
| N3D | C4D | O4D | C5D | 180.0° | 179.9° |
| N3D | C4D | C5D | C6D | 0.0° | 0.2° |
| N3D | C4D | C5D | H5D | 180.0° | 180.0° |
| C5B | N3S | SAS | HN3S | 180.0° | 180.0° |
| N3S | C5B | C4B | O4B | 49.4° | 179.1° |
| N3S | C5B | C4B | O5B | 122.9° | 180.0° |
| N3S | C5B | C4B | H4B | 171.4° | 57.9° |
| SAS | N3S | C5B | C4B | 158.5° | 180.0° |
| SAS | N3S | C5B | O5B | 79.0° | 0.0° |
| N3S | SAS | C1S | H1S | 63.2° | 64.4° |
| N3S | SAS | C1S | H1SA | 56.8° | 55.6° |
| C4A | C5A | C6A | N7A | 179.9° | 179.9° |
| C4A | C5A | C6A | N6A | 179.8° | 179.9° |
| C4A | C5A | N7A | C8A | 0.1° | 0.1° |
| C5A | C4A | N9A | C8A | 0.0° | 0.0° |
| N9A | C4A | C5A | C6A | 179.8° | 180.0° |
| N9A | C4A | C5A | N7A | 0.1° | 0.1° |
| C4A | N9A | C8A | N7A | 0.0° | 0.0° |
| C4A | N9A | C1B | H1B | 8.1° | 36.1° |
| C4A | N9A | C8A | H8A | 180.0° | 180.0° |
| O4B | C4B | C5B | H4B | 122.0° | 123.0° |
| O4B | C4B | C5B | O5B | 172.3° | 0.9° |
| C4B | O4B | C1B | H1B | 96.9° | 92.9° |
| O4B | C4B | C3B | H3B | 108.9° | 81.2° |
| C5B | C4B | C3B | H3B | 11.2° | 37.3° |
| C4B | C5B | N3S | HN3S | 21.5° | 0.0° |
| O4C | C4C | C5C | H4C | 123.7° | 122.9° |
| O4C | C4C | C5C | O5C | 66.4° | 71.1° |
| C4C | O4C | C1C | H1C | 106.4° | 93.0° |
| O4C | C4C | C3C | H3C | 107.5° | 81.2° |
| O4C | C4C | C5C | H5C | 53.6° | 168.9° |
| O4C | C4C | C5C | H5CA | 173.6° | 49.0° |
| C4C | C5C | O5C | H5C | 120.0° | 120.0° |
| C4C | C5C | O5C | H5CA | 120.0° | 120.0° |
| C5C | C4C | C3C | H3C | 8.2° | 37.3° |
| C4C | C5C | H5C | H5CA | 120.0° | 119.9° |
| C4C | C5C | O5C | HO5C | 180.0° | 180.0° |
| O4D | C4D | C5D | C6D | 180.0° | 179.7° |
| O4D | C4D | N3D | HN3D | 0.1° | 0.1° |
| O4D | C4D | C5D | H5D | 0.0° | 0.1° |
| C4D | C5D | C6D | H5D | 180.0° | 179.8° |
| C5D | C4D | N3D | HN3D | 180.0° | 180.0° |
| C4D | C5D | C6D | H6D | 180.0° | 179.8° |
| C6A | C5A | N7A | C8A | 179.8° | 180.0° |
| C5A | C6A | N6A | HN6A | 179.5° | 180.0° |
| C5A | C6A | N6A | HN6B | 59.5° | 0.1° |
| N7A | C5A | C6A | N6A | 0.3° | 0.0° |
| C5A | N7A | C8A | N9A | 0.1° | 0.0° |
| C5A | N7A | C8A | H8A | 179.9° | 180.0° |
| O5B | C5B | N3S | HN3S | 101.1° | 180.0° |
| O5B | C5B | C4B | H4B | 65.7° | 122.1° |
| O5C | C5C | C4C | H4C | 169.9° | 51.9° |
| O5C | C5C | H5C | H5CA | 120.0° | 120.0° |
| C6A | N6A | HN6A | HN6B | 120.0° | 179.9° |
| N7A | C8A | N9A | H8A | 180.0° | 180.0° |
| C8A | N9A | C1B | H1B | 172.9° | 143.9° |
| H1B | C1B | C2B | H2B | 135.6° | 123.8° |
| H1C | C1C | C2C | H2C | 133.8° | 123.7° |
| H1S | C1S | C3C | H3C | 142.4° | 62.9° |
| H1SA | C1S | C3C | H3C | 97.6° | 177.1° |
| H2B | C2B | O2B | HO2B | 57.6° | 57.5° |
| H2B | C2B | C3B | H3B | 0.8° | 21.4° |
| H2C | C2C | O2C | HO2C | 57.5° | 61.1° |
| H2C | C2C | C3C | H3C | 8.3° | 21.3° |
| H3B | C3B | O3B | HO3B | 58.4° | 56.4° |
| H3B | C3B | C4B | H4B | 129.1° | 160.3° |
| H3C | C3C | C4C | H4C | 128.9° | 160.3° |
| H4C | C4C | C5C | H5C | 70.1° | 68.2° |
| H4C | C4C | C5C | H5CA | 49.9° | 171.9° |
| H5C | C5C | O5C | HO5C | 60.0° | 60.0° |
| H5CA | C5C | O5C | HO5C | 60.0° | 60.0° |
| H5D | C5D | C6D | H6D | 0.0° | 0.0° |
