8ID
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7N | C7N | doub | 1.22Å | 1.23Å | |
| C7N | N7N | sing | 1.35Å | 1.34Å | |
| C7N | C3N | sing | 1.48Å | 1.50Å | |
| N7N | H7N1 | sing | 0.97Å | 1.00Å | |
| N7N | H7N2 | sing | 0.97Å | 1.00Å | |
| C3N | C4N | doub | 1.40Å | 1.40Å | Aromatic |
| C3N | C2N | sing | 1.40Å | 1.38Å | Aromatic |
| C4N | C5N | sing | 1.38Å | 1.39Å | Aromatic |
| C4N | H4N | sing | 1.08Å | 1.08Å | |
| C5N | C6N | doub | 1.38Å | 1.38Å | Aromatic |
| C5N | H5N | sing | 1.08Å | 1.08Å | |
| C6N | N1N | sing | 1.32Å | 1.35Å | Aromatic |
| C6N | H6N | sing | 1.08Å | 1.08Å | |
| C2N | N1N | doub | 1.32Å | 1.35Å | Aromatic |
| C2N | H2N | sing | 1.08Å | 1.08Å | |
| N1N | C1' | sing | 1.47Å | 1.49Å | |
| C1' | C2' | sing | 1.54Å | 1.54Å | |
| C1' | O4' | sing | 1.44Å | 1.38Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| O4' | C4' | sing | 1.44Å | 1.46Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| O5' | PN | sing | 1.61Å | 1.60Å | |
| PN | O1N | sing | 1.61Å | 1.48Å | |
| PN | O2N | doub | 1.48Å | 1.48Å | |
| PN | OPP | sing | 1.61Å | 1.62Å | |
| O1N | HO1N | sing | 0.97Å | 0.95Å | |
| OPP | PA | sing | 1.61Å | 1.58Å | |
| PA | O1A | sing | 1.61Å | 1.49Å | |
| PA | O2A | doub | 1.48Å | 1.51Å | |
| PA | O5B | sing | 1.61Å | 1.60Å | |
| O1A | HO1A | sing | 0.97Å | 0.95Å | |
| O5B | C5B | sing | 1.43Å | 1.46Å | |
| C5B | C4B | sing | 1.53Å | 1.51Å | |
| C5B | H5A1 | sing | 1.09Å | 1.10Å | |
| C5B | H5A2 | sing | 1.09Å | 1.10Å | |
| C4B | O4B | sing | 1.44Å | 1.43Å | |
| C4B | C3B | sing | 1.54Å | 1.53Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| O4B | C1B | sing | 1.44Å | 1.38Å | |
| C1B | C2B | sing | 1.55Å | 1.54Å | |
| C1B | N9A | sing | 1.46Å | 1.45Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| C2B | O2B | sing | 1.43Å | 1.41Å | |
| C2B | C3B | sing | 1.55Å | 1.52Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| O2B | HO2A | sing | 0.97Å | 0.95Å | |
| C3B | O3B | sing | 1.43Å | 1.41Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| O3B | HO3A | sing | 0.97Å | 0.95Å | |
| N9A | C8A | sing | 1.36Å | 1.38Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.37Å | Aromatic |
| C8A | I8A | sing | 2.10Å | 2.15Å | |
| C8A | N7A | doub | 1.30Å | 1.31Å | Aromatic |
| N7A | C5A | sing | 1.36Å | 1.37Å | Aromatic |
| C5A | C6A | doub | 1.40Å | 1.42Å | Aromatic |
| C5A | C4A | sing | 1.41Å | 1.40Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.31Å | |
| C6A | N1A | sing | 1.33Å | 1.39Å | Aromatic |
| N6A | H6A1 | sing | 0.97Å | 1.00Å | |
| N6A | H6A2 | sing | 0.97Å | 1.00Å | |
| C4A | N3A | doub | 1.33Å | 1.36Å | Aromatic |
| N3A | C2A | sing | 1.32Å | 1.32Å | Aromatic |
| C2A | N1A | doub | 1.32Å | 1.36Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7N | C7N | N7N | 122.4° | 120.0° |
| O7N | C7N | C3N | 118.7° | 120.0° |
| N7N | C7N | C3N | 119.0° | 120.0° |
| C7N | N7N | H7N1 | 123.7° | 120.0° |
| C7N | N7N | H7N2 | 112.5° | 120.0° |
| C7N | C3N | C4N | 120.4° | 120.6° |
| C7N | C3N | C2N | 122.3° | 120.5° |
| H7N1 | N7N | H7N2 | 123.7° | 120.0° |
| C4N | C3N | C2N | 117.3° | 118.9° |
| C3N | C4N | C5N | 120.4° | 118.3° |
| C3N | C4N | H4N | 119.8° | 120.9° |
| C3N | C2N | N1N | 121.1° | 120.6° |
| C3N | C2N | H2N | 119.5° | 119.7° |
| C5N | C4N | H4N | 119.8° | 120.9° |
| C4N | C5N | C6N | 120.2° | 119.3° |
| C4N | C5N | H5N | 119.9° | 120.3° |
| C6N | C5N | H5N | 119.9° | 120.4° |
| C5N | C6N | N1N | 118.4° | 121.1° |
| C5N | C6N | H6N | 120.8° | 119.5° |
| N1N | C6N | H6N | 120.8° | 119.4° |
| C6N | N1N | C2N | 122.6° | 121.9° |
| C6N | N1N | C1' | 123.4° | 119.1° |
| N1N | C2N | H2N | 119.4° | 119.7° |
| C2N | N1N | C1' | 114.0° | 119.1° |
| N1N | C1' | C2' | 117.2° | 110.4° |
| N1N | C1' | O4' | 106.6° | 110.3° |
| N1N | C1' | H1' | 105.4° | 110.3° |
| C2' | C1' | O4' | 106.6° | 104.9° |
| C2' | C1' | H1' | 105.3° | 110.4° |
| C1' | C2' | O2' | 113.8° | 110.8° |
| C1' | C2' | C3' | 99.0° | 104.0° |
| C1' | C2' | H2' | 116.0° | 110.4° |
| O4' | C1' | H1' | 116.3° | 110.4° |
| C1' | O4' | C4' | 106.8° | 105.3° |
| O2' | C2' | C3' | 115.9° | 110.5° |
| O2' | C2' | H2' | 99.1° | 110.5° |
| C2' | O2' | HO2' | 109.5° | 106.8° |
| C3' | C2' | H2' | 113.9° | 110.5° |
| C2' | C3' | O3' | 108.4° | 110.5° |
| C2' | C3' | C4' | 101.7° | 104.1° |
| C2' | C3' | H3' | 115.6° | 110.6° |
| O3' | C3' | C4' | 111.2° | 110.5° |
| O3' | C3' | H3' | 106.8° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 106.8° |
| C4' | C3' | H3' | 113.0° | 110.5° |
| C3' | C4' | O4' | 107.7° | 104.8° |
| C3' | C4' | C5' | 115.7° | 110.5° |
| C3' | C4' | H4' | 106.4° | 110.4° |
| O4' | C4' | C5' | 109.2° | 110.4° |
| O4' | C4' | H4' | 113.2° | 110.3° |
| C5' | C4' | H4' | 104.8° | 110.3° |
| C4' | C5' | O5' | 107.7° | 109.5° |
| C4' | C5' | H5'1 | 110.4° | 109.5° |
| C4' | C5' | H5'2 | 110.1° | 109.5° |
| O5' | C5' | H5'1 | 110.4° | 109.5° |
| O5' | C5' | H5'2 | 110.0° | 109.4° |
| C5' | O5' | PN | 117.2° | 106.8° |
| H5'1 | C5' | H5'2 | 108.1° | 109.5° |
| O5' | PN | O1N | 113.7° | 109.5° |
| O5' | PN | O2N | 102.0° | 109.5° |
| O5' | PN | OPP | 98.7° | 109.5° |
| O1N | PN | O2N | 122.0° | 109.5° |
| O1N | PN | OPP | 105.6° | 109.5° |
| PN | O1N | HO1N | 109.5° | 106.8° |
| O2N | PN | OPP | 112.5° | 109.5° |
| PN | OPP | PA | 133.1° | 106.8° |
| OPP | PA | O1A | 107.2° | 109.5° |
| OPP | PA | O2A | 107.9° | 109.5° |
| OPP | PA | O5B | 104.6° | 109.5° |
| O1A | PA | O2A | 116.5° | 109.5° |
| O1A | PA | O5B | 107.6° | 109.5° |
| PA | O1A | HO1A | 109.5° | 106.8° |
| O2A | PA | O5B | 112.3° | 109.4° |
| PA | O5B | C5B | 119.5° | 106.8° |
| O5B | C5B | C4B | 109.9° | 109.5° |
| O5B | C5B | H5A1 | 109.2° | 109.5° |
| O5B | C5B | H5A2 | 109.3° | 109.5° |
| C4B | C5B | H5A1 | 109.2° | 109.5° |
| C4B | C5B | H5A2 | 109.3° | 109.5° |
| C5B | C4B | O4B | 110.6° | 109.9° |
| C5B | C4B | C3B | 116.3° | 109.9° |
| C5B | C4B | H4B | 102.4° | 109.9° |
| H5A1 | C5B | H5A2 | 109.8° | 109.4° |
| O4B | C4B | C3B | 104.3° | 107.4° |
| O4B | C4B | H4B | 114.7° | 109.9° |
| C4B | O4B | C1B | 106.9° | 107.0° |
| C3B | C4B | H4B | 108.9° | 109.9° |
| C4B | C3B | C2B | 104.5° | 104.0° |
| C4B | C3B | O3B | 108.0° | 110.8° |
| C4B | C3B | H3B | 113.7° | 110.5° |
| O4B | C1B | C2B | 101.9° | 103.5° |
| O4B | C1B | N9A | 109.9° | 110.7° |
| O4B | C1B | H1B | 116.3° | 110.6° |
| C2B | C1B | N9A | 115.6° | 110.8° |
| C2B | C1B | H1B | 110.8° | 110.6° |
| C1B | C2B | O2B | 113.9° | 110.9° |
| C1B | C2B | C3B | 100.2° | 102.1° |
| C1B | C2B | H2B | 114.0° | 110.9° |
| N9A | C1B | H1B | 102.8° | 110.6° |
| C1B | N9A | C8A | 130.9° | 126.2° |
| C1B | N9A | C4A | 126.2° | 126.3° |
| O2B | C2B | C3B | 113.1° | 110.8° |
| O2B | C2B | H2B | 101.5° | 110.8° |
| C2B | O2B | HO2A | 109.5° | 106.8° |
| C3B | C2B | H2B | 114.8° | 111.0° |
| C2B | C3B | O3B | 110.0° | 110.5° |
| C2B | C3B | H3B | 111.8° | 110.5° |
| O3B | C3B | H3B | 108.6° | 110.4° |
| C3B | O3B | HO3A | 109.5° | 106.8° |
| C8A | N9A | C4A | 102.9° | 107.5° |
| N9A | C8A | I8A | 125.4° | 125.0° |
| N9A | C8A | N7A | 117.6° | 109.9° |
| N9A | C4A | C5A | 106.5° | 106.0° |
| N9A | C4A | N3A | 128.4° | 134.9° |
| I8A | C8A | N7A | 116.9° | 125.0° |
| C8A | N7A | C5A | 101.1° | 109.4° |
| N7A | C5A | C6A | 129.9° | 134.7° |
| N7A | C5A | C4A | 111.8° | 107.2° |
| C6A | C5A | C4A | 118.2° | 118.2° |
| C5A | C6A | N6A | 124.6° | 120.8° |
| C5A | C6A | N1A | 114.5° | 118.5° |
| C5A | C4A | N3A | 125.1° | 119.1° |
| N6A | C6A | N1A | 120.9° | 120.8° |
| C6A | N6A | H6A1 | 109.5° | 120.0° |
| C6A | N6A | H6A2 | 109.5° | 120.0° |
| C6A | N1A | C2A | 123.1° | 121.2° |
| H6A1 | N6A | H6A2 | 109.4° | 120.0° |
| C4A | N3A | C2A | 114.8° | 120.7° |
| N3A | C2A | N1A | 124.3° | 122.4° |
| N3A | C2A | H2A | 117.9° | 118.8° |
| N1A | C2A | H2A | 117.8° | 118.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7N | C7N | N7N | C3N | 179.6° | 180.0° |
| O7N | C7N | N7N | H7N1 | 0.0° | 0.0° |
| O7N | C7N | N7N | H7N2 | 180.0° | 179.8° |
| O7N | C7N | C3N | C4N | 7.5° | 179.9° |
| O7N | C7N | C3N | C2N | 172.0° | 0.3° |
| C7N | N7N | H7N1 | H7N2 | 180.0° | 179.8° |
| N7N | C7N | C3N | C4N | 172.1° | 0.0° |
| N7N | C7N | C3N | C2N | 8.4° | 179.8° |
| C3N | C7N | N7N | H7N1 | 179.6° | 180.0° |
| C3N | C7N | N7N | H7N2 | 0.4° | 0.3° |
| C7N | C3N | C4N | C2N | 179.5° | 179.8° |
| C7N | C3N | C4N | C5N | 180.0° | 180.0° |
| C7N | C3N | C4N | H4N | 0.0° | 0.1° |
| C7N | C3N | C2N | N1N | 179.8° | 179.7° |
| C7N | C3N | C2N | H2N | 0.1° | 0.3° |
| C3N | C4N | C5N | H4N | 180.0° | 179.9° |
| C3N | C4N | C5N | C6N | 0.5° | 0.1° |
| C3N | C4N | C5N | H5N | 179.5° | 180.0° |
| C4N | C3N | C2N | N1N | 0.4° | 0.5° |
| C4N | C3N | C2N | H2N | 179.6° | 179.9° |
| C2N | C3N | C4N | C5N | 0.5° | 0.2° |
| C2N | C3N | C4N | H4N | 179.5° | 179.7° |
| C3N | C2N | N1N | C6N | 0.2° | 0.6° |
| C3N | C2N | N1N | H2N | 180.0° | 179.3° |
| C3N | C2N | N1N | C1' | 178.9° | 179.7° |
| C4N | C5N | C6N | H5N | 180.0° | 179.9° |
| C4N | C5N | C6N | N1N | 0.2° | 0.0° |
| C4N | C5N | C6N | H6N | 179.7° | 180.0° |
| H4N | C4N | C5N | C6N | 179.5° | 180.0° |
| H4N | C4N | C5N | H5N | 0.4° | 0.1° |
| C5N | C6N | N1N | H6N | 180.0° | 180.0° |
| C5N | C6N | N1N | C2N | 0.1° | 0.3° |
| C5N | C6N | N1N | C1' | 178.8° | 180.0° |
| H5N | C5N | C6N | N1N | 179.8° | 179.9° |
| H5N | C5N | C6N | H6N | 0.3° | 0.1° |
| C6N | N1N | C2N | C1' | 179.0° | 179.7° |
| C6N | N1N | C2N | H2N | 179.8° | 180.0° |
| C6N | N1N | C1' | C2' | 49.4° | 78.5° |
| C6N | N1N | C1' | O4' | 69.8° | 37.1° |
| C6N | N1N | C1' | H1' | 166.1° | 159.3° |
| H6N | C6N | N1N | C2N | 179.9° | 179.7° |
| H6N | C6N | N1N | C1' | 1.2° | 0.0° |
| C2N | N1N | C1' | C2' | 131.6° | 101.8° |
| C2N | N1N | C1' | O4' | 109.2° | 142.6° |
| C2N | N1N | C1' | H1' | 14.9° | 20.4° |
| H2N | C2N | N1N | C1' | 1.2° | 0.3° |
| N1N | C1' | C2' | O4' | 119.2° | 118.9° |
| N1N | C1' | C2' | H1' | 116.7° | 122.2° |
| N1N | C1' | O4' | H1' | 117.1° | 122.1° |
| N1N | C1' | C2' | O2' | 73.7° | 98.6° |
| N1N | C1' | C2' | C3' | 162.7° | 142.7° |
| N1N | C1' | C2' | H2' | 40.4° | 24.2° |
| N1N | C1' | O4' | C4' | 158.9° | 159.3° |
| C2' | C1' | O4' | H1' | 117.0° | 119.0° |
| C1' | C2' | O2' | C3' | 113.8° | 114.7° |
| C1' | C2' | O2' | H2' | 123.9° | 122.7° |
| C1' | C2' | C3' | H2' | 123.8° | 118.5° |
| C1' | C2' | O2' | HO2' | 32.5° | 176.1° |
| C1' | C2' | C3' | O3' | 82.3° | 118.8° |
| C1' | C2' | C3' | C4' | 35.0° | 0.1° |
| C1' | C2' | C3' | H3' | 157.9° | 118.6° |
| C2' | C1' | O4' | C4' | 33.0° | 40.4° |
| O4' | C1' | C2' | O2' | 167.0° | 142.6° |
| O4' | C1' | C2' | C3' | 43.5° | 23.8° |
| O4' | C1' | C2' | H2' | 78.8° | 94.7° |
| C1' | O4' | C4' | C3' | 8.8° | 40.5° |
| C1' | O4' | C4' | C5' | 135.2° | 159.5° |
| C1' | O4' | C4' | H4' | 108.5° | 78.3° |
| H1' | C1' | C2' | O2' | 43.0° | 23.6° |
| H1' | C1' | C2' | C3' | 80.6° | 95.1° |
| H1' | C1' | C2' | H2' | 157.1° | 146.3° |
| H1' | C1' | O4' | C4' | 84.0° | 78.5° |
| O2' | C2' | C3' | H2' | 114.1° | 122.6° |
| O2' | C2' | C3' | O3' | 39.8° | 0.1° |
| O2' | C2' | C3' | C4' | 157.1° | 118.8° |
| O2' | C2' | C3' | H3' | 80.0° | 122.5° |
| C3' | C2' | O2' | HO2' | 146.3° | 61.5° |
| C2' | C3' | O3' | C4' | 111.0° | 114.7° |
| C2' | C3' | O3' | H3' | 125.2° | 122.7° |
| C2' | C3' | C4' | H3' | 124.6° | 118.7° |
| C2' | C3' | O3' | HO3' | 38.7° | 65.4° |
| C2' | C3' | C4' | O4' | 18.3° | 24.0° |
| C2' | C3' | C4' | C5' | 104.1° | 143.0° |
| C2' | C3' | C4' | H4' | 140.0° | 94.7° |
| H2' | C2' | O2' | HO2' | 91.3° | 61.2° |
| H2' | C2' | C3' | O3' | 153.9° | 122.7° |
| H2' | C2' | C3' | C4' | 88.8° | 118.6° |
| H2' | C2' | C3' | H3' | 34.1° | 0.1° |
| O3' | C3' | C4' | H3' | 120.1° | 122.6° |
| O3' | C3' | C4' | O4' | 96.9° | 142.7° |
| O3' | C3' | C4' | C5' | 140.6° | 98.4° |
| O3' | C3' | C4' | H4' | 24.7° | 23.9° |
| C4' | C3' | O3' | HO3' | 72.4° | 180.0° |
| C3' | C4' | O4' | C5' | 126.4° | 119.0° |
| C3' | C4' | O4' | H4' | 117.3° | 118.8° |
| C3' | C4' | C5' | H4' | 116.8° | 122.3° |
| C3' | C4' | C5' | O5' | 64.3° | 178.1° |
| C3' | C4' | C5' | H5'1 | 56.3° | 58.1° |
| C3' | C4' | C5' | H5'2 | 175.7° | 61.9° |
| H3' | C3' | O3' | HO3' | 163.9° | 57.3° |
| H3' | C3' | C4' | O4' | 142.9° | 94.7° |
| H3' | C3' | C4' | C5' | 20.5° | 24.2° |
| H3' | C3' | C4' | H4' | 95.4° | 146.5° |
| O4' | C4' | C5' | H4' | 121.6° | 122.2° |
| O4' | C4' | C5' | O5' | 57.3° | 66.4° |
| O4' | C4' | C5' | H5'1 | 177.9° | 173.6° |
| O4' | C4' | C5' | H5'2 | 62.7° | 53.5° |
| C4' | C5' | O5' | H5'1 | 120.7° | 120.0° |
| C4' | C5' | O5' | H5'2 | 120.0° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 120.5° | 120.0° |
| C4' | C5' | O5' | PN | 173.5° | 180.0° |
| H4' | C4' | C5' | O5' | 178.9° | 55.8° |
| H4' | C4' | C5' | H5'1 | 60.5° | 64.2° |
| H4' | C4' | C5' | H5'2 | 58.9° | 175.7° |
| O5' | C5' | H5'1 | H5'2 | 120.5° | 120.0° |
| C5' | O5' | PN | O1N | 60.3° | 65.0° |
| C5' | O5' | PN | O2N | 166.4° | 55.0° |
| C5' | O5' | PN | OPP | 51.0° | 175.0° |
| H5'1 | C5' | O5' | PN | 65.8° | 60.0° |
| H5'2 | C5' | O5' | PN | 53.5° | 60.0° |
| O5' | PN | O1N | O2N | 122.9° | 120.0° |
| O5' | PN | O1N | OPP | 107.1° | 120.0° |
| O5' | PN | O2N | OPP | 104.8° | 120.0° |
| O5' | PN | O1N | HO1N | 106.0° | 60.0° |
| O5' | PN | OPP | PA | 176.8° | 165.0° |
| O1N | PN | O2N | OPP | 127.0° | 120.0° |
| O1N | PN | OPP | PA | 59.2° | 74.9° |
| O2N | PN | O1N | HO1N | 16.9° | 180.0° |
| O2N | PN | OPP | PA | 76.2° | 45.0° |
| OPP | PN | O1N | HO1N | 146.9° | 60.0° |
| PN | OPP | PA | O1A | 20.6° | 80.0° |
| PN | OPP | PA | O2A | 146.8° | 40.1° |
| PN | OPP | PA | O5B | 93.4° | 160.0° |
| OPP | PA | O1A | O2A | 120.9° | 120.0° |
| OPP | PA | O1A | O5B | 112.0° | 120.0° |
| OPP | PA | O2A | O5B | 114.7° | 119.9° |
| OPP | PA | O1A | HO1A | 160.6° | 60.0° |
| OPP | PA | O5B | C5B | 59.3° | 175.0° |
| O1A | PA | O2A | O5B | 124.7° | 120.0° |
| O1A | PA | O5B | C5B | 173.0° | 65.0° |
| O2A | PA | O1A | HO1A | 39.7° | 180.0° |
| O2A | PA | O5B | C5B | 57.5° | 55.0° |
| O5B | PA | O1A | HO1A | 87.4° | 60.0° |
| PA | O5B | C5B | C4B | 157.0° | 180.0° |
| PA | O5B | C5B | H5A1 | 37.2° | 60.0° |
| PA | O5B | C5B | H5A2 | 82.9° | 60.0° |
| O5B | C5B | C4B | H5A1 | 119.8° | 120.0° |
| O5B | C5B | C4B | H5A2 | 120.0° | 120.0° |
| O5B | C5B | H5A1 | H5A2 | 119.9° | 120.0° |
| O5B | C5B | C4B | O4B | 175.2° | 66.7° |
| O5B | C5B | C4B | C3B | 56.4° | 175.3° |
| O5B | C5B | C4B | H4B | 62.1° | 54.3° |
| C4B | C5B | H5A1 | H5A2 | 119.9° | 120.0° |
| C5B | C4B | O4B | C3B | 125.8° | 119.5° |
| C5B | C4B | O4B | H4B | 115.2° | 121.0° |
| C5B | C4B | C3B | H4B | 114.9° | 121.0° |
| C5B | C4B | O4B | C1B | 157.4° | 145.9° |
| C5B | C4B | C3B | C2B | 124.6° | 121.4° |
| C5B | C4B | C3B | O3B | 118.3° | 119.8° |
| C5B | C4B | C3B | H3B | 2.3° | 2.8° |
| H5A1 | C5B | C4B | O4B | 55.4° | 53.3° |
| H5A1 | C5B | C4B | C3B | 63.4° | 64.7° |
| H5A1 | C5B | C4B | H4B | 178.1° | 174.3° |
| H5A2 | C5B | C4B | O4B | 64.8° | 173.2° |
| H5A2 | C5B | C4B | C3B | 176.5° | 55.3° |
| H5A2 | C5B | C4B | H4B | 57.9° | 65.7° |
| O4B | C4B | C3B | H4B | 122.9° | 119.5° |
| C4B | O4B | C1B | C2B | 47.3° | 40.1° |
| C4B | O4B | C1B | N9A | 170.5° | 158.8° |
| C4B | O4B | C1B | H1B | 73.2° | 78.4° |
| O4B | C4B | C3B | C2B | 2.5° | 1.9° |
| O4B | C4B | C3B | O3B | 119.6° | 120.7° |
| O4B | C4B | C3B | H3B | 119.8° | 116.6° |
| C3B | C4B | O4B | C1B | 31.6° | 26.5° |
| C4B | C3B | C2B | C1B | 23.4° | 21.0° |
| C4B | C3B | C2B | O2B | 145.0° | 139.2° |
| C4B | C3B | C2B | O3B | 115.7° | 118.9° |
| C4B | C3B | C2B | H3B | 123.5° | 118.6° |
| C4B | C3B | C2B | H2B | 99.2° | 97.3° |
| C4B | C3B | O3B | H3B | 123.8° | 122.7° |
| C4B | C3B | O3B | HO3A | 171.7° | 176.2° |
| H4B | C4B | O4B | C1B | 87.5° | 93.0° |
| H4B | C4B | C3B | C2B | 120.5° | 117.6° |
| H4B | C4B | C3B | O3B | 3.3° | 1.2° |
| H4B | C4B | C3B | H3B | 117.3° | 123.8° |
| O4B | C1B | C2B | N9A | 119.2° | 118.6° |
| O4B | C1B | C2B | H1B | 124.4° | 118.4° |
| O4B | C1B | N9A | H1B | 124.5° | 122.9° |
| O4B | C1B | C2B | O2B | 163.9° | 155.2° |
| O4B | C1B | C2B | C3B | 42.9° | 37.1° |
| O4B | C1B | C2B | H2B | 80.3° | 81.2° |
| O4B | C1B | N9A | C8A | 63.9° | 43.6° |
| O4B | C1B | N9A | C4A | 116.6° | 136.8° |
| C2B | C1B | N9A | H1B | 120.8° | 123.0° |
| C1B | C2B | O2B | C3B | 113.5° | 112.7° |
| C1B | C2B | O2B | H2B | 122.9° | 123.6° |
| C1B | C2B | C3B | H2B | 122.6° | 118.3° |
| C1B | C2B | O2B | HO2A | 101.3° | 180.0° |
| C1B | C2B | C3B | O3B | 92.3° | 97.9° |
| C1B | C2B | C3B | H3B | 146.9° | 139.6° |
| C2B | C1B | N9A | C8A | 50.8° | 70.6° |
| C2B | C1B | N9A | C4A | 128.7° | 109.1° |
| N9A | C1B | C2B | O2B | 76.9° | 86.2° |
| N9A | C1B | C2B | C3B | 162.1° | 155.7° |
| N9A | C1B | C2B | H2B | 38.9° | 37.4° |
| C1B | N9A | C8A | C4A | 179.6° | 179.7° |
| C1B | N9A | C8A | I8A | 1.4° | 0.0° |
| C1B | N9A | C8A | N7A | 179.8° | 180.0° |
| C1B | N9A | C4A | C5A | 179.8° | 179.8° |
| C1B | N9A | C4A | N3A | 0.3° | 0.8° |
| H1B | C1B | C2B | O2B | 39.6° | 36.8° |
| H1B | C1B | C2B | C3B | 81.4° | 81.3° |
| H1B | C1B | C2B | H2B | 155.3° | 160.3° |
| H1B | C1B | N9A | C8A | 171.6° | 166.4° |
| H1B | C1B | N9A | C4A | 7.9° | 13.9° |
| O2B | C2B | C3B | H2B | 115.8° | 123.5° |
| O2B | C2B | C3B | O3B | 29.3° | 20.3° |
| O2B | C2B | C3B | H3B | 91.5° | 102.2° |
| C3B | C2B | O2B | HO2A | 145.2° | 67.3° |
| C2B | C3B | O3B | H3B | 122.7° | 122.5° |
| C2B | C3B | O3B | HO3A | 58.2° | 61.5° |
| H2B | C2B | O2B | HO2A | 21.7° | 56.4° |
| H2B | C2B | C3B | O3B | 145.1° | 143.8° |
| H2B | C2B | C3B | H3B | 24.3° | 21.3° |
| H3B | C3B | O3B | HO3A | 64.6° | 61.1° |
| N9A | C8A | I8A | N7A | 178.9° | 180.0° |
| N9A | C8A | N7A | C5A | 0.1° | 0.0° |
| C8A | N9A | C4A | C5A | 0.2° | 0.4° |
| C8A | N9A | C4A | N3A | 179.9° | 179.5° |
| C4A | N9A | C8A | I8A | 179.0° | 179.7° |
| C4A | N9A | C8A | N7A | 0.2° | 0.3° |
| N9A | C4A | C5A | N7A | 0.2° | 0.4° |
| N9A | C4A | C5A | C6A | 179.6° | 179.8° |
| N9A | C4A | C5A | N3A | 179.9° | 179.2° |
| N9A | C4A | N3A | C2A | 179.7° | 179.6° |
| I8A | C8A | N7A | C5A | 179.0° | 180.0° |
| C8A | N7A | C5A | C6A | 179.7° | 179.9° |
| C8A | N7A | C5A | C4A | 0.1° | 0.3° |
| N7A | C5A | C6A | C4A | 179.7° | 179.6° |
| N7A | C5A | C6A | N6A | 0.1° | 0.1° |
| N7A | C5A | C6A | N1A | 179.8° | 180.0° |
| N7A | C5A | C4A | N3A | 179.9° | 179.7° |
| C5A | C6A | N6A | N1A | 179.9° | 179.9° |
| C5A | C6A | N6A | H6A1 | 19.5° | 0.0° |
| C5A | C6A | N6A | H6A2 | 100.4° | 180.0° |
| C6A | C5A | C4A | N3A | 0.3° | 0.6° |
| C5A | C6A | N1A | C2A | 0.6° | 0.1° |
| C4A | C5A | C6A | N6A | 179.6° | 179.7° |
| C4A | C5A | C6A | N1A | 0.5° | 0.3° |
| C5A | C4A | N3A | C2A | 0.2° | 0.6° |
| C6A | N6A | H6A1 | H6A2 | 120.0° | 180.0° |
| N6A | C6A | N1A | C2A | 179.5° | 180.0° |
| N1A | C6A | N6A | H6A1 | 160.4° | 180.0° |
| N1A | C6A | N6A | H6A2 | 79.7° | 0.0° |
| C6A | N1A | C2A | N3A | 0.6° | 0.1° |
| C6A | N1A | C2A | H2A | 179.4° | 180.0° |
| C4A | N3A | C2A | N1A | 0.3° | 0.4° |
| C4A | N3A | C2A | H2A | 179.7° | 179.7° |
| N3A | C2A | N1A | H2A | 180.0° | 179.9° |
