XYQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | CH | doub | 1.21Å | 1.34Å | |
| CH | CH3 | sing | 1.51Å | 1.43Å | |
| CH | OH | sing | 1.34Å | 1.40Å | |
| CH3 | HH31 | sing | 1.09Å | 1.10Å | |
| CH3 | HH32 | sing | 1.09Å | 1.10Å | |
| CH3 | HH33 | sing | 1.09Å | 1.10Å | |
| OH | C1N | sing | 1.45Å | 1.44Å | |
| C1N | C2N | sing | 1.54Å | 1.53Å | |
| C1N | O4N | sing | 1.43Å | 1.38Å | |
| C1N | H1N | sing | 1.09Å | 1.10Å | |
| C2N | C3N | sing | 1.55Å | 1.49Å | |
| C2N | O2N | sing | 1.43Å | 1.40Å | |
| C2N | H2N | sing | 1.09Å | 1.10Å | |
| C3N | O3N | sing | 1.43Å | 1.46Å | |
| C3N | C4N | sing | 1.55Å | 1.48Å | |
| C3N | H3N | sing | 1.09Å | 1.10Å | |
| O3N | HO3N | sing | 0.97Å | 0.95Å | |
| O2N | HO2N | sing | 0.97Å | 0.95Å | |
| O4N | C4N | sing | 1.44Å | 1.43Å | |
| C4N | C5N | sing | 1.53Å | 1.54Å | |
| C4N | H4N | sing | 1.09Å | 1.10Å | |
| C5N | O5N | sing | 1.43Å | 1.42Å | |
| C5N | H5N1 | sing | 1.09Å | 1.10Å | |
| C5N | H5N2 | sing | 1.09Å | 1.10Å | |
| O5N | PN | sing | 1.61Å | 1.63Å | |
| PN | ON2 | sing | 1.61Å | 1.47Å | |
| PN | ON1 | doub | 1.48Å | 1.45Å | |
| PN | ON3 | sing | 1.61Å | 1.62Å | |
| ON2 | HON2 | sing | 0.97Å | 0.95Å | |
| ON3 | PA | sing | 1.61Å | 1.62Å | |
| PA | OA2 | sing | 1.61Å | 1.49Å | |
| PA | O5A | sing | 1.61Å | 1.57Å | |
| PA | OA1 | doub | 1.48Å | 1.53Å | |
| OA2 | HOA2 | sing | 0.97Å | 0.95Å | |
| O5A | C5A | sing | 1.43Å | 1.44Å | |
| C5A | C4A | sing | 1.53Å | 1.50Å | |
| C5A | H5A1 | sing | 1.09Å | 1.10Å | |
| C5A | H5A2 | sing | 1.09Å | 1.10Å | |
| C4A | O4A | sing | 1.44Å | 1.44Å | |
| C4A | C3A | sing | 1.54Å | 1.51Å | |
| C4A | H4A | sing | 1.09Å | 1.10Å | |
| O4A | C1A | sing | 1.44Å | 1.45Å | |
| C1A | N9 | sing | 1.47Å | 1.46Å | |
| C1A | C2A | sing | 1.55Å | 1.54Å | |
| C1A | H1A | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.31Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.35Å | 1.33Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.36Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.43Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | C6 | sing | 1.33Å | 1.33Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.36Å | |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| C2A | C3A | sing | 1.55Å | 1.53Å | |
| C2A | O2A | sing | 1.43Å | 1.39Å | |
| C2A | H2A | sing | 1.09Å | 1.10Å | |
| C3A | O3A | sing | 1.43Å | 1.45Å | |
| C3A | H3A | sing | 1.09Å | 1.10Å | |
| O3A | HO3A | sing | 0.97Å | 0.95Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | CH | CH3 | 120.0° | 120.0° |
| O5 | CH | OH | 121.6° | 120.0° |
| CH3 | CH | OH | 118.4° | 120.1° |
| CH | CH3 | HH31 | 109.5° | 109.5° |
| CH | CH3 | HH32 | 109.5° | 109.5° |
| CH | CH3 | HH33 | 109.5° | 109.5° |
| CH | OH | C1N | 116.2° | 120.1° |
| HH31 | CH3 | HH32 | 109.5° | 109.5° |
| HH31 | CH3 | HH33 | 109.4° | 109.5° |
| HH32 | CH3 | HH33 | 109.5° | 109.5° |
| OH | C1N | C2N | 104.1° | 109.9° |
| OH | C1N | O4N | 96.0° | 109.8° |
| OH | C1N | H1N | 120.8° | 109.8° |
| C2N | C1N | O4N | 109.9° | 107.6° |
| C2N | C1N | H1N | 109.1° | 109.9° |
| C1N | C2N | C3N | 102.9° | 102.2° |
| C1N | C2N | O2N | 118.0° | 111.0° |
| C1N | C2N | H2N | 111.7° | 110.9° |
| O4N | C1N | H1N | 115.8° | 109.8° |
| C1N | O4N | C4N | 109.2° | 110.0° |
| C3N | C2N | O2N | 117.4° | 110.9° |
| C3N | C2N | H2N | 112.4° | 110.8° |
| C2N | C3N | O3N | 108.7° | 111.1° |
| C2N | C3N | C4N | 106.8° | 101.0° |
| C2N | C3N | H3N | 110.1° | 111.1° |
| O2N | C2N | H2N | 94.8° | 110.8° |
| C2N | O2N | HO2N | 109.5° | 106.8° |
| O3N | C3N | C4N | 104.2° | 111.1° |
| O3N | C3N | H3N | 112.5° | 111.0° |
| C3N | O3N | HO3N | 109.5° | 106.8° |
| C4N | C3N | H3N | 114.2° | 111.2° |
| C3N | C4N | O4N | 108.5° | 105.1° |
| C3N | C4N | C5N | 106.0° | 110.3° |
| C3N | C4N | H4N | 112.3° | 110.4° |
| O4N | C4N | C5N | 109.3° | 110.3° |
| O4N | C4N | H4N | 109.2° | 110.3° |
| C5N | C4N | H4N | 111.5° | 110.3° |
| C4N | C5N | O5N | 109.6° | 109.4° |
| C4N | C5N | H5N1 | 109.4° | 109.5° |
| C4N | C5N | H5N2 | 109.4° | 109.5° |
| O5N | C5N | H5N1 | 109.4° | 109.5° |
| O5N | C5N | H5N2 | 109.4° | 109.5° |
| C5N | O5N | PN | 122.2° | 106.7° |
| H5N1 | C5N | H5N2 | 109.6° | 109.5° |
| O5N | PN | ON2 | 110.4° | 109.5° |
| O5N | PN | ON1 | 105.8° | 109.5° |
| O5N | PN | ON3 | 99.6° | 109.4° |
| ON2 | PN | ON1 | 124.0° | 109.5° |
| ON2 | PN | ON3 | 102.9° | 109.4° |
| PN | ON2 | HON2 | 109.5° | 106.9° |
| ON1 | PN | ON3 | 111.4° | 109.4° |
| PN | ON3 | PA | 125.5° | 106.8° |
| ON3 | PA | OA2 | 101.2° | 109.5° |
| ON3 | PA | O5A | 106.2° | 109.5° |
| ON3 | PA | OA1 | 111.9° | 109.4° |
| OA2 | PA | O5A | 114.1° | 109.5° |
| OA2 | PA | OA1 | 117.5° | 109.5° |
| PA | OA2 | HOA2 | 109.5° | 106.8° |
| O5A | PA | OA1 | 105.5° | 109.4° |
| PA | O5A | C5A | 121.7° | 106.8° |
| O5A | C5A | C4A | 107.8° | 109.5° |
| O5A | C5A | H5A1 | 110.4° | 109.5° |
| O5A | C5A | H5A2 | 110.0° | 109.4° |
| C4A | C5A | H5A1 | 110.4° | 109.5° |
| C4A | C5A | H5A2 | 110.0° | 109.5° |
| C5A | C4A | O4A | 111.7° | 109.9° |
| C5A | C4A | C3A | 107.1° | 109.9° |
| C5A | C4A | H4A | 109.2° | 109.8° |
| H5A1 | C5A | H5A2 | 108.2° | 109.5° |
| O4A | C4A | C3A | 108.1° | 107.4° |
| O4A | C4A | H4A | 108.1° | 109.8° |
| C4A | O4A | C1A | 109.4° | 106.9° |
| C3A | C4A | H4A | 112.7° | 109.9° |
| C4A | C3A | C2A | 107.8° | 104.1° |
| C4A | C3A | O3A | 101.1° | 110.8° |
| C4A | C3A | H3A | 114.7° | 110.5° |
| O4A | C1A | N9 | 107.0° | 110.6° |
| O4A | C1A | C2A | 109.3° | 103.5° |
| O4A | C1A | H1A | 117.9° | 110.6° |
| N9 | C1A | C2A | 123.5° | 110.8° |
| N9 | C1A | H1A | 101.1° | 110.6° |
| C1A | N9 | C8 | 129.3° | 126.3° |
| C1A | N9 | C4 | 123.2° | 126.2° |
| C2A | C1A | H1A | 98.3° | 110.6° |
| C1A | C2A | C3A | 102.4° | 102.1° |
| C1A | C2A | O2A | 110.6° | 110.9° |
| C1A | C2A | H2A | 116.2° | 110.9° |
| C8 | N9 | C4 | 107.0° | 107.5° |
| N9 | C8 | N7 | 108.6° | 110.0° |
| N9 | C8 | H8 | 125.7° | 125.0° |
| N9 | C4 | C5 | 109.4° | 106.0° |
| N9 | C4 | N3 | 127.7° | 135.0° |
| N7 | C8 | H8 | 125.7° | 125.0° |
| C8 | N7 | C5 | 105.8° | 109.4° |
| N7 | C5 | C4 | 108.9° | 107.1° |
| N7 | C5 | C6 | 134.4° | 134.7° |
| C4 | C5 | C6 | 116.5° | 118.2° |
| C5 | C4 | N3 | 122.6° | 119.0° |
| C5 | C6 | N1 | 121.0° | 118.4° |
| C5 | C6 | N6 | 112.9° | 120.8° |
| C4 | N3 | C2 | 118.1° | 120.7° |
| N3 | C2 | N1 | 117.3° | 122.4° |
| N3 | C2 | H2 | 121.4° | 118.8° |
| N1 | C2 | H2 | 121.4° | 118.8° |
| C2 | N1 | C6 | 124.3° | 121.2° |
| N1 | C6 | N6 | 126.1° | 120.8° |
| C6 | N6 | HN61 | 109.5° | 119.9° |
| C6 | N6 | HN62 | 109.5° | 120.0° |
| HN61 | N6 | HN62 | 109.4° | 120.1° |
| C3A | C2A | O2A | 116.8° | 110.9° |
| C3A | C2A | H2A | 109.8° | 111.0° |
| C2A | C3A | O3A | 106.5° | 110.5° |
| C2A | C3A | H3A | 110.0° | 110.5° |
| O2A | C2A | H2A | 101.6° | 110.8° |
| C2A | O2A | HO2A | 109.5° | 106.8° |
| O3A | C3A | H3A | 115.9° | 110.4° |
| C3A | O3A | HO3A | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | CH | CH3 | OH | 177.6° | 180.0° |
| O5 | CH | CH3 | HH31 | 119.6° | 0.0° |
| O5 | CH | CH3 | HH32 | 120.4° | 120.0° |
| O5 | CH | CH3 | HH33 | 0.4° | 120.0° |
| O5 | CH | OH | C1N | 172.1° | 0.0° |
| CH | CH3 | HH31 | HH32 | 120.0° | 120.0° |
| CH | CH3 | HH31 | HH33 | 120.0° | 120.0° |
| CH | CH3 | HH32 | HH33 | 120.0° | 120.0° |
| CH3 | CH | OH | C1N | 5.4° | 180.0° |
| OH | CH | CH3 | HH31 | 58.0° | 180.0° |
| OH | CH | CH3 | HH32 | 62.1° | 60.0° |
| OH | CH | CH3 | HH33 | 177.9° | 60.0° |
| CH | OH | C1N | C2N | 98.9° | 170.2° |
| CH | OH | C1N | O4N | 148.8° | 71.6° |
| CH | OH | C1N | H1N | 23.9° | 49.2° |
| HH31 | CH3 | HH32 | HH33 | 120.0° | 120.0° |
| OH | C1N | C2N | O4N | 101.9° | 119.6° |
| OH | C1N | C2N | H1N | 130.2° | 121.0° |
| OH | C1N | O4N | H1N | 128.5° | 120.9° |
| OH | C1N | C2N | C3N | 87.1° | 140.8° |
| OH | C1N | C2N | O2N | 43.9° | 22.6° |
| OH | C1N | C2N | H2N | 152.2° | 101.0° |
| OH | C1N | O4N | C4N | 100.1° | 117.8° |
| C2N | C1N | O4N | H1N | 124.2° | 119.5° |
| C1N | C2N | C3N | O2N | 131.4° | 118.3° |
| C1N | C2N | C3N | H2N | 120.2° | 118.2° |
| C1N | C2N | O2N | H2N | 117.7° | 123.7° |
| C1N | C2N | C3N | O3N | 95.7° | 152.0° |
| C1N | C2N | C3N | C4N | 16.2° | 34.1° |
| C1N | C2N | C3N | H3N | 140.7° | 83.9° |
| C1N | C2N | O2N | HO2N | 30.2° | 67.1° |
| C2N | C1N | O4N | C4N | 7.3° | 1.8° |
| O4N | C1N | C2N | C3N | 14.7° | 21.2° |
| O4N | C1N | C2N | O2N | 145.8° | 97.0° |
| O4N | C1N | C2N | H2N | 106.0° | 139.4° |
| C1N | O4N | C4N | C3N | 3.5° | 24.5° |
| C1N | O4N | C4N | C5N | 111.6° | 143.5° |
| C1N | O4N | C4N | H4N | 126.2° | 94.5° |
| H1N | C1N | C2N | C3N | 142.7° | 98.2° |
| H1N | C1N | C2N | O2N | 86.3° | 143.5° |
| H1N | C1N | C2N | H2N | 22.0° | 19.9° |
| H1N | C1N | O4N | C4N | 131.4° | 121.4° |
| C3N | C2N | O2N | H2N | 118.3° | 123.5° |
| C2N | C3N | O3N | C4N | 113.7° | 111.6° |
| C2N | C3N | O3N | H3N | 122.1° | 124.2° |
| C2N | C3N | C4N | H3N | 121.9° | 117.9° |
| C2N | C3N | O3N | HO3N | 179.0° | 68.4° |
| C3N | C2N | O2N | HO2N | 93.8° | 180.0° |
| C2N | C3N | C4N | O4N | 12.9° | 36.5° |
| C2N | C3N | C4N | C5N | 104.3° | 155.4° |
| C2N | C3N | C4N | H4N | 133.7° | 82.5° |
| O2N | C2N | C3N | O3N | 35.7° | 33.7° |
| O2N | C2N | C3N | C4N | 147.6° | 84.2° |
| O2N | C2N | C3N | H3N | 87.9° | 157.8° |
| H2N | C2N | C3N | O3N | 144.1° | 89.7° |
| H2N | C2N | C3N | C4N | 104.0° | 152.3° |
| H2N | C2N | C3N | H3N | 20.5° | 34.4° |
| H2N | C2N | O2N | HO2N | 147.9° | 56.5° |
| O3N | C3N | C4N | H3N | 123.1° | 124.2° |
| O3N | C3N | C4N | O4N | 102.1° | 154.4° |
| O3N | C3N | C4N | C5N | 140.7° | 86.7° |
| O3N | C3N | C4N | H4N | 18.7° | 35.4° |
| C4N | C3N | O3N | HO3N | 67.4° | 180.0° |
| C3N | C4N | O4N | C5N | 115.1° | 118.9° |
| C3N | C4N | O4N | H4N | 122.7° | 119.0° |
| C3N | C4N | C5N | H4N | 122.5° | 122.2° |
| C3N | C4N | C5N | O5N | 77.7° | 177.8° |
| C3N | C4N | C5N | H5N1 | 162.3° | 57.8° |
| C3N | C4N | C5N | H5N2 | 42.3° | 62.2° |
| H3N | C3N | O3N | HO3N | 56.8° | 55.8° |
| H3N | C3N | C4N | O4N | 134.9° | 81.4° |
| H3N | C3N | C4N | C5N | 17.6° | 37.5° |
| H3N | C3N | C4N | H4N | 104.4° | 159.6° |
| O4N | C4N | C5N | H4N | 120.8° | 122.1° |
| O4N | C4N | C5N | O5N | 165.6° | 66.5° |
| O4N | C4N | C5N | H5N1 | 45.6° | 173.5° |
| O4N | C4N | C5N | H5N2 | 74.4° | 53.5° |
| C4N | C5N | O5N | H5N1 | 119.9° | 120.0° |
| C4N | C5N | O5N | H5N2 | 120.0° | 120.0° |
| C4N | C5N | H5N1 | H5N2 | 119.9° | 120.0° |
| C4N | C5N | O5N | PN | 129.8° | 180.0° |
| H4N | C4N | C5N | O5N | 44.8° | 55.6° |
| H4N | C4N | C5N | H5N1 | 75.2° | 64.4° |
| H4N | C4N | C5N | H5N2 | 164.8° | 175.6° |
| O5N | C5N | H5N1 | H5N2 | 120.0° | 120.0° |
| C5N | O5N | PN | ON2 | 43.6° | 65.1° |
| C5N | O5N | PN | ON1 | 179.8° | 55.0° |
| C5N | O5N | PN | ON3 | 64.2° | 175.0° |
| H5N1 | C5N | O5N | PN | 110.2° | 60.0° |
| H5N2 | C5N | O5N | PN | 9.8° | 60.0° |
| O5N | PN | ON2 | ON1 | 127.1° | 120.1° |
| O5N | PN | ON2 | ON3 | 105.6° | 120.0° |
| O5N | PN | ON1 | ON3 | 107.3° | 120.0° |
| O5N | PN | ON2 | HON2 | 40.4° | 60.0° |
| O5N | PN | ON3 | PA | 80.5° | 165.0° |
| ON2 | PN | ON1 | ON3 | 123.7° | 120.0° |
| ON2 | PN | ON3 | PA | 165.7° | 75.0° |
| ON1 | PN | ON2 | HON2 | 86.7° | 180.0° |
| ON1 | PN | ON3 | PA | 30.8° | 45.0° |
| ON3 | PN | ON2 | HON2 | 146.0° | 60.0° |
| PN | ON3 | PA | OA2 | 171.7° | 75.0° |
| PN | ON3 | PA | O5A | 68.9° | 165.0° |
| PN | ON3 | PA | OA1 | 45.8° | 45.0° |
| ON3 | PA | OA2 | O5A | 113.6° | 120.0° |
| ON3 | PA | OA2 | OA1 | 122.1° | 120.0° |
| ON3 | PA | O5A | OA1 | 119.0° | 119.9° |
| ON3 | PA | OA2 | HOA2 | 36.9° | 60.0° |
| ON3 | PA | O5A | C5A | 71.8° | 175.0° |
| OA2 | PA | O5A | OA1 | 130.4° | 120.1° |
| OA2 | PA | O5A | C5A | 38.8° | 65.0° |
| O5A | PA | OA2 | HOA2 | 150.5° | 60.0° |
| PA | O5A | C5A | C4A | 172.8° | 180.0° |
| PA | O5A | C5A | H5A1 | 52.1° | 59.9° |
| PA | O5A | C5A | H5A2 | 67.2° | 60.1° |
| OA1 | PA | OA2 | HOA2 | 85.2° | 180.0° |
| OA1 | PA | O5A | C5A | 169.2° | 55.1° |
| O5A | C5A | C4A | H5A1 | 120.7° | 120.0° |
| O5A | C5A | C4A | H5A2 | 120.0° | 120.0° |
| O5A | C5A | H5A1 | H5A2 | 120.5° | 120.0° |
| O5A | C5A | C4A | O4A | 166.5° | 66.7° |
| O5A | C5A | C4A | C3A | 75.3° | 175.3° |
| O5A | C5A | C4A | H4A | 46.9° | 54.3° |
| C4A | C5A | H5A1 | H5A2 | 120.4° | 120.0° |
| C5A | C4A | O4A | C3A | 117.6° | 119.5° |
| C5A | C4A | O4A | H4A | 120.1° | 120.9° |
| C5A | C4A | C3A | H4A | 120.0° | 121.0° |
| C5A | C4A | O4A | C1A | 118.4° | 145.9° |
| C5A | C4A | C3A | C2A | 110.4° | 121.4° |
| C5A | C4A | C3A | O3A | 138.1° | 119.9° |
| C5A | C4A | C3A | H3A | 12.6° | 2.8° |
| H5A1 | C5A | C4A | O4A | 72.8° | 53.3° |
| H5A1 | C5A | C4A | C3A | 45.4° | 64.7° |
| H5A1 | C5A | C4A | H4A | 167.6° | 174.3° |
| H5A2 | C5A | C4A | O4A | 46.5° | 173.3° |
| H5A2 | C5A | C4A | C3A | 164.7° | 55.3° |
| H5A2 | C5A | C4A | H4A | 73.1° | 65.7° |
| O4A | C4A | C3A | H4A | 119.5° | 119.5° |
| C4A | O4A | C1A | N9 | 147.3° | 158.7° |
| C4A | O4A | C1A | C2A | 11.3° | 40.0° |
| C4A | O4A | C1A | H1A | 99.7° | 78.5° |
| O4A | C4A | C3A | C2A | 10.1° | 1.9° |
| O4A | C4A | C3A | O3A | 101.5° | 120.6° |
| O4A | C4A | C3A | H3A | 133.0° | 116.7° |
| C3A | C4A | O4A | C1A | 0.8° | 26.4° |
| C4A | C3A | C2A | C1A | 15.9° | 21.0° |
| C4A | C3A | C2A | O3A | 107.9° | 118.9° |
| C4A | C3A | C2A | H3A | 125.8° | 118.6° |
| C4A | C3A | C2A | O2A | 136.8° | 139.2° |
| C4A | C3A | C2A | H2A | 108.2° | 97.2° |
| C4A | C3A | O3A | H3A | 124.7° | 122.7° |
| C4A | C3A | O3A | HO3A | 128.1° | 176.2° |
| H4A | C4A | O4A | C1A | 121.5° | 93.1° |
| H4A | C4A | C3A | C2A | 129.5° | 117.6° |
| H4A | C4A | C3A | O3A | 18.0° | 1.2° |
| H4A | C4A | C3A | H3A | 107.5° | 123.8° |
| O4A | C1A | N9 | C2A | 128.2° | 114.2° |
| O4A | C1A | N9 | H1A | 123.9° | 122.9° |
| O4A | C1A | C2A | H1A | 123.5° | 118.5° |
| O4A | C1A | N9 | C8 | 77.0° | 23.6° |
| O4A | C1A | N9 | C4 | 92.8° | 156.7° |
| O4A | C1A | C2A | C3A | 16.7° | 37.1° |
| O4A | C1A | C2A | O2A | 141.9° | 155.3° |
| O4A | C1A | C2A | H2A | 103.0° | 81.2° |
| N9 | C1A | C2A | H1A | 109.3° | 122.9° |
| C1A | N9 | C8 | C4 | 171.0° | 179.8° |
| C1A | N9 | C8 | N7 | 175.4° | 179.9° |
| C1A | N9 | C8 | H8 | 4.6° | 0.1° |
| C1A | N9 | C4 | C5 | 177.2° | 179.9° |
| C1A | N9 | C4 | N3 | 8.6° | 0.8° |
| N9 | C1A | C2A | C3A | 143.9° | 155.6° |
| N9 | C1A | C2A | O2A | 90.9° | 86.2° |
| N9 | C1A | C2A | H2A | 24.2° | 37.4° |
| C2A | C1A | N9 | C8 | 51.2° | 90.6° |
| C2A | C1A | N9 | C4 | 139.0° | 89.1° |
| C1A | C2A | C3A | O2A | 120.9° | 118.2° |
| C1A | C2A | C3A | H2A | 124.1° | 118.2° |
| C1A | C2A | O2A | H2A | 124.0° | 123.6° |
| C1A | C2A | C3A | O3A | 92.0° | 98.0° |
| C1A | C2A | C3A | H3A | 141.7° | 139.6° |
| C1A | C2A | O2A | HO2A | 80.0° | 180.0° |
| H1A | C1A | N9 | C8 | 159.1° | 146.4° |
| H1A | C1A | N9 | C4 | 31.2° | 33.9° |
| H1A | C1A | C2A | C3A | 106.8° | 81.4° |
| H1A | C1A | C2A | O2A | 18.3° | 36.8° |
| H1A | C1A | C2A | H2A | 133.5° | 160.3° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 1.6° | 0.1° |
| C8 | N9 | C4 | C5 | 5.5° | 0.3° |
| C8 | N9 | C4 | N3 | 179.7° | 179.5° |
| C4 | N9 | C8 | N7 | 4.4° | 0.2° |
| C4 | N9 | C8 | H8 | 175.6° | 179.7° |
| N9 | C4 | C5 | N7 | 4.7° | 0.4° |
| N9 | C4 | C5 | N3 | 174.5° | 179.3° |
| N9 | C4 | C5 | C6 | 179.7° | 179.8° |
| N9 | C4 | N3 | C2 | 178.3° | 179.6° |
| C8 | N7 | C5 | C4 | 1.8° | 0.3° |
| C8 | N7 | C5 | C6 | 176.3° | 179.9° |
| H8 | C8 | N7 | C5 | 178.5° | 180.0° |
| N7 | C5 | C4 | C6 | 175.6° | 179.8° |
| N7 | C5 | C4 | N3 | 179.2° | 179.7° |
| N7 | C5 | C6 | N1 | 176.7° | 180.0° |
| N7 | C5 | C6 | N6 | 1.2° | 0.1° |
| C5 | C4 | N3 | C2 | 4.8° | 0.5° |
| C4 | C5 | C6 | N1 | 2.5° | 0.2° |
| C4 | C5 | C6 | N6 | 175.3° | 179.7° |
| C6 | C5 | C4 | N3 | 5.2° | 0.5° |
| C5 | C6 | N1 | C2 | 0.6° | 0.0° |
| C5 | C6 | N1 | N6 | 177.6° | 179.9° |
| C5 | C6 | N6 | HN61 | 56.7° | 0.1° |
| C5 | C6 | N6 | HN62 | 63.3° | 180.0° |
| C4 | N3 | C2 | N1 | 1.5° | 0.3° |
| C4 | N3 | C2 | H2 | 178.5° | 179.7° |
| N3 | C2 | N1 | H2 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 1.0° | 0.0° |
| C2 | N1 | C6 | N6 | 178.1° | 179.9° |
| H2 | C2 | N1 | C6 | 178.9° | 180.0° |
| N1 | C6 | N6 | HN61 | 125.6° | 180.0° |
| N1 | C6 | N6 | HN62 | 114.4° | 0.1° |
| C6 | N6 | HN61 | HN62 | 120.1° | 179.9° |
| C3A | C2A | O2A | H2A | 119.5° | 123.7° |
| C2A | C3A | O3A | H3A | 122.7° | 122.6° |
| C2A | C3A | O3A | HO3A | 15.5° | 61.4° |
| C3A | C2A | O2A | HO2A | 163.4° | 67.3° |
| O2A | C2A | C3A | O3A | 29.0° | 20.2° |
| O2A | C2A | C3A | H3A | 97.4° | 102.2° |
| H2A | C2A | C3A | O3A | 143.9° | 143.9° |
| H2A | C2A | C3A | H3A | 17.6° | 21.4° |
| H2A | C2A | O2A | HO2A | 43.9° | 56.4° |
| H3A | C3A | O3A | HO3A | 107.2° | 61.1° |
