IOT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | doub | 1.48Å | 1.54Å | |
| PA | O2A | sing | 1.61Å | 1.55Å | |
| PA | O5' | sing | 1.61Å | 1.41Å | |
| PA | OX2 | sing | 1.61Å | 1.58Å | |
| O2A | HO2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.49Å | |
| C5' | C4' | sing | 1.53Å | 1.44Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.56Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.36Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO'3 | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.46Å | |
| C2' | C1' | sing | 1.55Å | 1.48Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | HO'2 | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.47Å | 1.42Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.36Å | 1.43Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.40Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.50Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.45Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.23Å | |
| C6 | N1 | sing | 1.33Å | 1.44Å | Aromatic |
| N6 | H61 | sing | 0.97Å | 1.02Å | |
| N6 | H62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | doub | 1.32Å | 1.44Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | doub | 1.33Å | 1.44Å | Aromatic |
| CX | CW | sing | 1.51Å | 1.13Å | |
| CX | NX | sing | 1.47Å | 1.71Å | |
| CX | HCX1 | sing | 1.09Å | 1.12Å | |
| CX | HCX2 | sing | 1.09Å | 1.11Å | |
| CW | OX1 | doub | 1.21Å | 1.37Å | |
| CW | OX2 | sing | 1.34Å | 1.37Å | |
| NX | CA | sing | 1.47Å | 1.50Å | |
| NX | HNX | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.50Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CG | CD | sing | 1.53Å | 1.48Å | |
| CG | HG1 | sing | 1.09Å | 1.12Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| CD | NE | sing | 1.46Å | 1.43Å | |
| CD | HD1 | sing | 1.09Å | 1.12Å | |
| CD | HD2 | sing | 1.09Å | 1.11Å | |
| NE | CZ | sing | 1.38Å | 1.33Å | |
| NE | HE | sing | 0.97Å | 1.02Å | |
| CZ | NH1 | doub | 1.30Å | 1.33Å | |
| CZ | NH2 | sing | 1.37Å | 1.31Å | |
| NH1 | HH11 | sing | 0.97Å | 1.02Å | |
| NH2 | HH21 | sing | 0.97Å | 1.02Å | |
| NH2 | HH22 | sing | 0.97Å | 1.02Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OX3 | sing | 1.34Å | 1.25Å | |
| OX3 | HX3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 118.7° | 109.5° |
| O1A | PA | O5' | 131.1° | 109.5° |
| O1A | PA | OX2 | 120.2° | 109.4° |
| O2A | PA | O5' | 88.0° | 109.5° |
| O2A | PA | OX2 | 106.8° | 109.5° |
| PA | O2A | HO2 | 118.7° | 106.8° |
| O5' | PA | OX2 | 84.1° | 109.5° |
| PA | O5' | C5' | 118.6° | 106.8° |
| PA | OX2 | CW | 141.6° | 120.0° |
| O5' | C5' | C4' | 137.8° | 109.5° |
| O5' | C5' | H5'1 | 102.5° | 109.4° |
| O5' | C5' | H5'2 | 102.5° | 109.5° |
| C4' | C5' | H5'1 | 102.6° | 109.5° |
| C4' | C5' | H5'2 | 102.6° | 109.5° |
| C5' | C4' | O4' | 101.3° | 109.9° |
| C5' | C4' | C3' | 120.0° | 109.9° |
| C5' | C4' | H4' | 107.3° | 109.8° |
| H5'1 | C5' | H5'2 | 105.7° | 109.5° |
| O4' | C4' | C3' | 106.5° | 107.4° |
| O4' | C4' | H4' | 120.7° | 109.9° |
| C4' | O4' | C1' | 114.5° | 107.0° |
| C3' | C4' | H4' | 102.2° | 109.9° |
| C4' | C3' | O3' | 120.0° | 110.8° |
| C4' | C3' | C2' | 101.7° | 104.0° |
| C4' | C3' | H3' | 110.8° | 110.4° |
| O4' | C1' | C2' | 103.9° | 103.5° |
| O4' | C1' | N9 | 111.6° | 110.6° |
| O4' | C1' | H1' | 110.9° | 110.6° |
| O3' | C3' | C2' | 116.4° | 110.5° |
| O3' | C3' | H3' | 93.7° | 110.4° |
| C3' | O3' | HO'3 | 120.0° | 106.9° |
| C2' | C3' | H3' | 114.8° | 110.5° |
| C3' | C2' | O2' | 106.8° | 110.9° |
| C3' | C2' | C1' | 112.1° | 102.1° |
| C3' | C2' | H2' | 109.1° | 111.0° |
| O2' | C2' | C1' | 108.3° | 110.9° |
| O2' | C2' | H2' | 112.9° | 110.8° |
| C2' | O2' | HO'2 | 106.8° | 106.8° |
| C1' | C2' | H2' | 107.6° | 110.9° |
| C2' | C1' | N9 | 107.0° | 110.8° |
| C2' | C1' | H1' | 115.3° | 110.6° |
| N9 | C1' | H1' | 108.0° | 110.5° |
| C1' | N9 | C8 | 129.6° | 126.3° |
| C1' | N9 | C4 | 127.3° | 126.3° |
| C8 | N9 | C4 | 103.1° | 107.4° |
| N9 | C8 | N7 | 116.0° | 110.0° |
| N9 | C8 | H8 | 125.9° | 125.0° |
| N9 | C4 | C5 | 106.4° | 106.0° |
| N9 | C4 | N3 | 127.6° | 135.0° |
| N7 | C8 | H8 | 118.1° | 125.0° |
| C8 | N7 | C5 | 104.1° | 109.4° |
| N7 | C5 | C6 | 132.2° | 134.7° |
| N7 | C5 | C4 | 110.3° | 107.1° |
| C6 | C5 | C4 | 117.5° | 118.2° |
| C5 | C6 | N6 | 124.3° | 120.8° |
| C5 | C6 | N1 | 113.0° | 118.4° |
| C5 | C4 | N3 | 126.0° | 119.0° |
| N6 | C6 | N1 | 122.7° | 120.8° |
| C6 | N6 | H61 | 124.3° | 120.0° |
| C6 | N6 | H62 | 106.9° | 120.0° |
| C6 | N1 | C2 | 126.8° | 121.2° |
| H61 | N6 | H62 | 107.1° | 120.0° |
| N1 | C2 | N3 | 120.6° | 122.4° |
| N1 | C2 | H2 | 122.5° | 118.8° |
| N3 | C2 | H2 | 116.9° | 118.8° |
| C2 | N3 | C4 | 116.1° | 120.7° |
| CW | CX | NX | 109.8° | 109.5° |
| CW | CX | HCX1 | 112.1° | 109.5° |
| CW | CX | HCX2 | 112.1° | 109.5° |
| CX | CW | OX1 | 122.2° | 120.0° |
| CX | CW | OX2 | 127.8° | 120.0° |
| NX | CX | HCX1 | 112.1° | 109.4° |
| NX | CX | HCX2 | 112.1° | 109.4° |
| CX | NX | CA | 120.4° | 106.8° |
| CX | NX | HNX | 108.2° | 106.7° |
| HCX1 | CX | HCX2 | 98.3° | 109.5° |
| OX1 | CW | OX2 | 109.0° | 120.0° |
| CA | NX | HNX | 108.3° | 106.7° |
| NX | CA | CB | 109.6° | 109.5° |
| NX | CA | C | 109.9° | 109.5° |
| NX | CA | HA | 108.9° | 109.5° |
| CB | CA | C | 109.0° | 109.5° |
| CB | CA | HA | 109.8° | 109.5° |
| CA | CB | CG | 114.6° | 109.5° |
| CA | CB | HB1 | 110.3° | 109.5° |
| CA | CB | HB2 | 110.4° | 109.4° |
| C | CA | HA | 109.6° | 109.5° |
| CA | C | O | 117.9° | 120.1° |
| CA | C | OX3 | 119.1° | 120.0° |
| CG | CB | HB1 | 110.3° | 109.5° |
| CG | CB | HB2 | 110.3° | 109.5° |
| CB | CG | CD | 109.2° | 109.4° |
| CB | CG | HG1 | 112.3° | 109.5° |
| CB | CG | HG2 | 112.3° | 109.5° |
| HB1 | CB | HB2 | 100.0° | 109.5° |
| CD | CG | HG1 | 112.3° | 109.5° |
| CD | CG | HG2 | 112.3° | 109.5° |
| CG | CD | NE | 112.9° | 109.4° |
| CG | CD | HD1 | 110.9° | 109.5° |
| CG | CD | HD2 | 111.0° | 109.5° |
| HG1 | CG | HG2 | 98.1° | 109.4° |
| NE | CD | HD1 | 110.9° | 109.4° |
| NE | CD | HD2 | 111.0° | 109.4° |
| CD | NE | CZ | 124.3° | 120.0° |
| CD | NE | HE | 107.0° | 120.0° |
| HD1 | CD | HD2 | 99.4° | 109.5° |
| CZ | NE | HE | 107.0° | 120.0° |
| NE | CZ | NH1 | 122.6° | 120.0° |
| NE | CZ | NH2 | 117.7° | 120.0° |
| NH1 | CZ | NH2 | 119.7° | 120.0° |
| CZ | NH1 | HH11 | 93.2° | 120.0° |
| CZ | NH2 | HH21 | 117.7° | 120.0° |
| CZ | NH2 | HH22 | 109.3° | 120.0° |
| HH21 | NH2 | HH22 | 109.2° | 120.0° |
| O | C | OX3 | 123.0° | 119.9° |
| C | OX3 | HX3 | 119.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O5' | 136.9° | 120.0° |
| O1A | PA | O2A | OX2 | 139.8° | 120.0° |
| O1A | PA | O5' | OX2 | 125.6° | 120.0° |
| O1A | PA | O2A | HO2 | 180.0° | 180.0° |
| O1A | PA | O5' | C5' | 30.7° | 60.0° |
| O1A | PA | OX2 | CW | 43.1° | 60.0° |
| O2A | PA | O5' | OX2 | 107.1° | 120.0° |
| O2A | PA | O5' | C5' | 158.1° | 60.0° |
| O2A | PA | OX2 | CW | 96.0° | 60.0° |
| O5' | PA | O2A | HO2 | 43.1° | 60.0° |
| PA | O5' | C5' | C4' | 120.9° | 180.0° |
| PA | O5' | C5' | H5'1 | 4.4° | 60.0° |
| PA | O5' | C5' | H5'2 | 113.8° | 60.0° |
| O5' | PA | OX2 | CW | 177.9° | 180.0° |
| OX2 | PA | O2A | HO2 | 40.2° | 60.0° |
| OX2 | PA | O5' | C5' | 94.8° | 179.9° |
| PA | OX2 | CW | CX | 149.2° | 180.0° |
| PA | OX2 | CW | OX1 | 42.3° | 0.0° |
| O5' | C5' | C4' | H5'1 | 125.3° | 119.9° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 107.0° | 120.0° |
| O5' | C5' | C4' | O4' | 72.7° | 61.7° |
| O5' | C5' | C4' | C3' | 44.1° | 179.7° |
| O5' | C5' | C4' | H4' | 159.9° | 59.4° |
| C4' | C5' | H5'1 | H5'2 | 107.1° | 120.0° |
| C5' | C4' | O4' | C3' | 126.3° | 119.5° |
| C5' | C4' | O4' | H4' | 118.1° | 121.0° |
| C5' | C4' | C3' | H4' | 118.4° | 121.0° |
| C5' | C4' | O4' | C1' | 130.1° | 146.0° |
| C5' | C4' | C3' | O3' | 106.6° | 119.8° |
| C5' | C4' | C3' | C2' | 123.3° | 121.4° |
| C5' | C4' | C3' | H3' | 0.8° | 2.9° |
| H5'1 | C5' | C4' | O4' | 162.0° | 58.3° |
| H5'1 | C5' | C4' | C3' | 81.2° | 59.7° |
| H5'1 | C5' | C4' | H4' | 34.6° | 179.3° |
| H5'2 | C5' | C4' | O4' | 52.5° | 178.3° |
| H5'2 | C5' | C4' | C3' | 169.4° | 60.3° |
| H5'2 | C5' | C4' | H4' | 74.9° | 60.7° |
| O4' | C4' | C3' | H4' | 127.5° | 119.5° |
| O4' | C4' | C3' | O3' | 139.3° | 120.7° |
| O4' | C4' | C3' | C2' | 9.2° | 1.9° |
| O4' | C4' | C3' | H3' | 113.3° | 116.6° |
| C4' | O4' | C1' | C2' | 3.6° | 40.1° |
| C4' | O4' | C1' | N9 | 111.4° | 158.7° |
| C4' | O4' | C1' | H1' | 128.1° | 78.5° |
| C3' | C4' | O4' | C1' | 3.8° | 26.5° |
| C4' | C3' | O3' | C2' | 123.2° | 114.8° |
| C4' | C3' | O3' | H3' | 116.6° | 122.7° |
| C4' | C3' | C2' | H3' | 119.6° | 118.5° |
| C4' | C3' | O3' | HO'3 | 179.9° | 176.2° |
| C4' | C3' | C2' | O2' | 106.5° | 139.2° |
| C4' | C3' | C2' | C1' | 12.0° | 21.0° |
| C4' | C3' | C2' | H2' | 131.1° | 97.2° |
| H4' | C4' | O4' | C1' | 111.8° | 93.0° |
| H4' | C4' | C3' | O3' | 11.8° | 1.2° |
| H4' | C4' | C3' | C2' | 118.3° | 117.6° |
| H4' | C4' | C3' | H3' | 119.2° | 123.8° |
| O4' | C1' | C2' | C3' | 10.0° | 37.1° |
| O4' | C1' | C2' | O2' | 107.6° | 155.3° |
| O4' | C1' | C2' | N9 | 118.2° | 118.5° |
| O4' | C1' | C2' | H1' | 121.6° | 118.5° |
| O4' | C1' | C2' | H2' | 130.1° | 81.2° |
| O4' | C1' | N9 | H1' | 122.2° | 122.9° |
| O4' | C1' | N9 | C8 | 36.6° | 28.5° |
| O4' | C1' | N9 | C4 | 142.7° | 151.7° |
| O3' | C3' | C2' | H3' | 108.1° | 122.5° |
| O3' | C3' | C2' | O2' | 25.8° | 20.2° |
| O3' | C3' | C2' | C1' | 144.3° | 98.0° |
| O3' | C3' | C2' | H2' | 96.6° | 143.8° |
| C2' | C3' | O3' | HO'3 | 56.9° | 61.4° |
| C3' | C2' | O2' | C1' | 121.0° | 112.7° |
| C3' | C2' | O2' | H2' | 120.0° | 123.7° |
| C3' | C2' | C1' | H2' | 120.0° | 118.3° |
| C3' | C2' | O2' | HO'2 | 180.0° | 67.2° |
| C3' | C2' | C1' | N9 | 108.2° | 155.7° |
| C3' | C2' | C1' | H1' | 131.6° | 81.4° |
| H3' | C3' | O3' | HO'3 | 63.3° | 61.2° |
| H3' | C3' | C2' | O2' | 133.9° | 102.3° |
| H3' | C3' | C2' | C1' | 107.6° | 139.5° |
| H3' | C3' | C2' | H2' | 11.5° | 21.3° |
| O2' | C2' | C1' | H2' | 122.4° | 123.5° |
| O2' | C2' | C1' | N9 | 134.2° | 86.1° |
| O2' | C2' | C1' | H1' | 14.0° | 36.8° |
| C1' | C2' | O2' | HO'2 | 59.1° | 180.0° |
| C2' | C1' | N9 | H1' | 124.8° | 123.0° |
| C2' | C1' | N9 | C8 | 76.4° | 85.6° |
| C2' | C1' | N9 | C4 | 104.3° | 94.1° |
| H2' | C2' | O2' | HO'2 | 60.0° | 56.5° |
| H2' | C2' | C1' | N9 | 11.8° | 37.4° |
| H2' | C2' | C1' | H1' | 108.3° | 160.3° |
| C1' | N9 | C8 | C4 | 179.4° | 179.8° |
| C1' | N9 | C8 | N7 | 179.5° | 180.0° |
| C1' | N9 | C8 | H8 | 0.5° | 0.1° |
| C1' | N9 | C4 | C5 | 179.9° | 179.8° |
| C1' | N9 | C4 | N3 | 1.0° | 0.8° |
| H1' | C1' | N9 | C8 | 158.8° | 151.4° |
| H1' | C1' | N9 | C4 | 20.4° | 28.9° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.5° | 0.1° |
| C8 | N9 | C4 | C5 | 0.7° | 0.4° |
| C8 | N9 | C4 | N3 | 179.6° | 179.4° |
| C4 | N9 | C8 | N7 | 0.1° | 0.2° |
| C4 | N9 | C8 | H8 | 179.9° | 179.7° |
| N9 | C4 | C5 | N7 | 1.0° | 0.4° |
| N9 | C4 | C5 | C6 | 180.0° | 179.9° |
| N9 | C4 | C5 | N3 | 178.9° | 179.2° |
| N9 | C4 | N3 | C2 | 179.3° | 179.6° |
| C8 | N7 | C5 | C6 | 179.7° | 179.9° |
| C8 | N7 | C5 | C4 | 0.9° | 0.3° |
| H8 | C8 | N7 | C5 | 179.5° | 180.0° |
| N7 | C5 | C6 | C4 | 178.8° | 179.6° |
| N7 | C5 | C6 | N6 | 0.8° | 0.1° |
| N7 | C5 | C6 | N1 | 180.0° | 179.9° |
| N7 | C5 | C4 | N3 | 180.0° | 179.7° |
| C5 | C6 | N6 | N1 | 179.1° | 180.0° |
| C5 | C6 | N6 | H61 | 180.0° | 180.0° |
| C5 | C6 | N6 | H62 | 54.7° | 0.0° |
| C5 | C6 | N1 | C2 | 1.3° | 0.0° |
| C6 | C5 | C4 | N3 | 1.0° | 0.6° |
| C4 | C5 | C6 | N6 | 179.6° | 179.7° |
| C4 | C5 | C6 | N1 | 1.2° | 0.3° |
| C5 | C4 | N3 | C2 | 0.6° | 0.6° |
| C6 | N6 | H61 | H62 | 125.3° | 180.0° |
| N6 | C6 | N1 | C2 | 179.5° | 180.0° |
| N1 | C6 | N6 | H61 | 0.9° | 0.0° |
| N1 | C6 | N6 | H62 | 124.4° | 180.0° |
| C6 | N1 | C2 | N3 | 0.9° | 0.0° |
| C6 | N1 | C2 | H2 | 179.1° | 179.9° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.5° | 0.3° |
| H2 | C2 | N3 | C4 | 179.5° | 179.8° |
| CW | CX | NX | HCX1 | 125.2° | 120.0° |
| CW | CX | NX | HCX2 | 125.3° | 120.0° |
| CW | CX | HCX1 | HCX2 | 118.0° | 120.0° |
| CX | CW | OX1 | OX2 | 169.2° | 180.0° |
| CW | CX | NX | CA | 76.2° | 180.0° |
| CW | CX | NX | HNX | 49.1° | 66.2° |
| NX | CX | HCX1 | HCX2 | 118.0° | 119.9° |
| NX | CX | CW | OX1 | 125.1° | 0.0° |
| NX | CX | CW | OX2 | 67.9° | 180.0° |
| CX | NX | CA | HNX | 125.2° | 113.9° |
| CX | NX | CA | CB | 107.4° | 150.0° |
| CX | NX | CA | C | 132.8° | 90.0° |
| CX | NX | CA | HA | 12.7° | 30.0° |
| HCX1 | CX | CW | OX1 | 0.2° | 120.0° |
| HCX1 | CX | CW | OX2 | 166.9° | 60.0° |
| HCX1 | CX | NX | CA | 49.0° | 60.0° |
| HCX1 | CX | NX | HNX | 174.3° | 173.8° |
| HCX2 | CX | CW | OX1 | 109.6° | 120.0° |
| HCX2 | CX | CW | OX2 | 57.4° | 60.0° |
| HCX2 | CX | NX | CA | 158.5° | 60.0° |
| HCX2 | CX | NX | HNX | 76.3° | 53.9° |
| NX | CA | CB | C | 120.3° | 120.0° |
| NX | CA | CB | HA | 119.6° | 120.0° |
| NX | CA | C | HA | 119.6° | 120.0° |
| NX | CA | CB | CG | 110.8° | 60.0° |
| NX | CA | CB | HB1 | 14.4° | 180.0° |
| NX | CA | CB | HB2 | 123.9° | 60.0° |
| NX | CA | C | O | 0.2° | 150.0° |
| NX | CA | C | OX3 | 179.7° | 30.0° |
| HNX | NX | CA | CB | 127.3° | 96.1° |
| HNX | NX | CA | C | 7.6° | 23.9° |
| HNX | NX | CA | HA | 112.5° | 143.8° |
| CB | CA | C | HA | 120.2° | 120.0° |
| CA | CB | CG | HB1 | 125.2° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB2 | 116.2° | 120.0° |
| CA | CB | CG | CD | 178.2° | 180.0° |
| CA | CB | CG | HG1 | 56.5° | 60.0° |
| CA | CB | CG | HG2 | 52.9° | 60.0° |
| CB | CA | C | O | 119.9° | 90.0° |
| CB | CA | C | OX3 | 60.1° | 90.0° |
| C | CA | CB | CG | 128.8° | 180.0° |
| C | CA | CB | HB1 | 105.9° | 60.0° |
| C | CA | CB | HB2 | 3.6° | 60.0° |
| CA | C | O | OX3 | 179.9° | 180.0° |
| CA | C | OX3 | HX3 | 180.0° | 179.9° |
| HA | CA | CB | CG | 8.8° | 60.0° |
| HA | CA | CB | HB1 | 134.0° | 60.0° |
| HA | CA | CB | HB2 | 116.4° | 179.9° |
| HA | CA | C | O | 119.9° | 30.0° |
| HA | CA | C | OX3 | 60.1° | 150.0° |
| CG | CB | HB1 | HB2 | 116.1° | 120.0° |
| CB | CG | CD | HG1 | 125.3° | 120.0° |
| CB | CG | CD | HG2 | 125.3° | 120.0° |
| CB | CG | HG1 | HG2 | 118.2° | 120.0° |
| CB | CG | CD | NE | 90.5° | 180.0° |
| CB | CG | CD | HD1 | 144.3° | 60.1° |
| CB | CG | CD | HD2 | 34.8° | 60.1° |
| HB1 | CB | CG | CD | 52.9° | 60.0° |
| HB1 | CB | CG | HG1 | 178.2° | 180.0° |
| HB1 | CB | CG | HG2 | 72.3° | 60.0° |
| HB2 | CB | CG | CD | 56.5° | 60.0° |
| HB2 | CB | CG | HG1 | 68.7° | 60.0° |
| HB2 | CB | CG | HG2 | 178.2° | 180.0° |
| CD | CG | HG1 | HG2 | 118.2° | 120.0° |
| CG | CD | NE | HD1 | 125.2° | 120.0° |
| CG | CD | NE | HD2 | 125.3° | 120.0° |
| CG | CD | HD1 | HD2 | 116.8° | 120.1° |
| CG | CD | NE | CZ | 172.1° | 180.0° |
| CG | CD | NE | HE | 46.9° | 0.1° |
| HG1 | CG | CD | NE | 34.8° | 60.0° |
| HG1 | CG | CD | HD1 | 90.4° | 179.9° |
| HG1 | CG | CD | HD2 | 160.1° | 59.9° |
| HG2 | CG | CD | NE | 144.2° | 60.0° |
| HG2 | CG | CD | HD1 | 19.0° | 59.9° |
| HG2 | CG | CD | HD2 | 90.4° | 179.9° |
| NE | CD | HD1 | HD2 | 116.8° | 119.9° |
| CD | NE | CZ | HE | 125.2° | 179.9° |
| CD | NE | CZ | NH1 | 69.2° | 0.1° |
| CD | NE | CZ | NH2 | 110.0° | 180.0° |
| HD1 | CD | NE | CZ | 46.9° | 60.0° |
| HD1 | CD | NE | HE | 78.4° | 120.1° |
| HD2 | CD | NE | CZ | 62.6° | 60.0° |
| HD2 | CD | NE | HE | 172.2° | 119.9° |
| NE | CZ | NH1 | NH2 | 179.2° | 180.0° |
| NE | CZ | NH1 | HH11 | 109.6° | 0.0° |
| NE | CZ | NH2 | HH21 | 179.9° | 179.9° |
| NE | CZ | NH2 | HH22 | 54.7° | 0.3° |
| HE | NE | CZ | NH1 | 165.6° | 179.9° |
| HE | NE | CZ | NH2 | 15.2° | 0.1° |
| NH1 | CZ | NH2 | HH21 | 0.7° | 0.0° |
| NH1 | CZ | NH2 | HH22 | 124.5° | 179.7° |
| NH2 | CZ | NH1 | HH11 | 71.2° | 180.0° |
| CZ | NH2 | HH21 | HH22 | 125.3° | 179.6° |
| O | C | OX3 | HX3 | 0.0° | 0.0° |
