DPC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1A | doub | 1.22Å | 1.23Å | |
| C1 | O1B | sing | 1.35Å | 1.23Å | |
| C1 | C2 | sing | 1.47Å | 1.47Å | |
| O1B | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | doub | 1.32Å | 1.35Å | |
| C2 | O6 | sing | 1.34Å | 1.32Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.54Å | 1.52Å | |
| C4 | NE | sing | 1.47Å | 1.46Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C5 | N5 | sing | 1.46Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| N5 | C10 | sing | 1.35Å | 1.33Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C10 | O10 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.12Å | |
| C6 | O6 | sing | 1.42Å | 1.40Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| C7 | O7 | doub | 1.21Å | 1.22Å | |
| C7 | N8 | sing | 1.35Å | 1.33Å | |
| N8 | C81 | sing | 1.47Å | 1.48Å | |
| N8 | C9 | sing | 1.46Å | 1.48Å | |
| C81 | C82 | sing | 1.53Å | 1.54Å | |
| C81 | H811 | sing | 1.09Å | 1.12Å | |
| C81 | H812 | sing | 1.09Å | 1.11Å | |
| C82 | CG | sing | 1.51Å | 1.51Å | |
| C82 | H821 | sing | 1.09Å | 1.11Å | |
| C82 | H822 | sing | 1.09Å | 1.12Å | |
| CG | CD1 | doub | 1.38Å | 1.41Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.41Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.38Å | 1.41Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CE2 | CZ | sing | 1.38Å | 1.40Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CZ | HZ | sing | 1.08Å | 1.10Å | |
| C9 | C91 | sing | 1.53Å | 1.52Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C91 | C92 | sing | 1.53Å | 1.54Å | |
| C91 | H911 | sing | 1.09Å | 1.12Å | |
| C91 | H912 | sing | 1.09Å | 1.12Å | |
| C92 | H921 | sing | 1.09Å | 1.11Å | |
| C92 | H922 | sing | 1.09Å | 1.11Å | |
| C92 | H923 | sing | 1.09Å | 1.11Å | |
| NE | HNE1 | sing | 1.01Å | 1.02Å | |
| NE | HNE2 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1 | O1B | 120.0° | 120.0° |
| O1A | C1 | C2 | 117.0° | 120.0° |
| O1B | C1 | C2 | 122.8° | 120.0° |
| C1 | O1B | HO1 | 120.0° | 120.0° |
| C1 | C2 | C3 | 121.9° | 116.8° |
| C1 | C2 | O6 | 116.1° | 116.8° |
| C3 | C2 | O6 | 122.1° | 126.5° |
| C2 | C3 | C4 | 121.8° | 122.3° |
| C2 | C3 | H3 | 113.9° | 118.9° |
| C2 | O6 | C6 | 119.6° | 110.2° |
| C4 | C3 | H3 | 124.3° | 118.9° |
| C3 | C4 | C5 | 112.4° | 108.2° |
| C3 | C4 | NE | 111.0° | 109.7° |
| C3 | C4 | H4 | 106.6° | 109.7° |
| C5 | C4 | NE | 109.9° | 109.8° |
| C5 | C4 | H4 | 107.7° | 109.6° |
| C4 | C5 | N5 | 109.0° | 109.9° |
| C4 | C5 | C6 | 109.1° | 107.4° |
| C4 | C5 | H5 | 110.2° | 109.8° |
| NE | C4 | H4 | 109.2° | 109.7° |
| C4 | NE | HNE1 | 111.0° | 106.7° |
| C4 | NE | HNE2 | 111.7° | 106.7° |
| N5 | C5 | C6 | 110.0° | 110.1° |
| N5 | C5 | H5 | 109.3° | 109.8° |
| C5 | N5 | C10 | 124.9° | 120.1° |
| C5 | N5 | HN5 | 123.3° | 120.0° |
| C6 | C5 | H5 | 109.2° | 109.7° |
| C5 | C6 | O6 | 110.4° | 109.3° |
| C5 | C6 | C7 | 108.3° | 109.6° |
| C5 | C6 | H6 | 108.1° | 109.5° |
| C10 | N5 | HN5 | 111.9° | 120.0° |
| N5 | C10 | O10 | 123.8° | 119.9° |
| N5 | C10 | C11 | 112.8° | 120.1° |
| O10 | C10 | C11 | 123.3° | 120.0° |
| C10 | C11 | H111 | 112.9° | 109.5° |
| C10 | C11 | H112 | 111.0° | 109.4° |
| C10 | C11 | H113 | 111.0° | 109.5° |
| H111 | C11 | H112 | 110.9° | 109.5° |
| H111 | C11 | H113 | 111.0° | 109.5° |
| H112 | C11 | H113 | 99.3° | 109.4° |
| O6 | C6 | C7 | 104.7° | 109.5° |
| O6 | C6 | H6 | 111.6° | 109.5° |
| C7 | C6 | H6 | 113.6° | 109.4° |
| C6 | C7 | O7 | 121.3° | 120.0° |
| C6 | C7 | N8 | 117.8° | 120.0° |
| O7 | C7 | N8 | 120.9° | 120.0° |
| C7 | N8 | C81 | 115.3° | 120.0° |
| C7 | N8 | C9 | 124.5° | 120.0° |
| C81 | N8 | C9 | 120.2° | 120.0° |
| N8 | C81 | C82 | 112.8° | 109.5° |
| N8 | C81 | H811 | 111.0° | 109.4° |
| N8 | C81 | H812 | 111.0° | 109.4° |
| N8 | C9 | C91 | 110.6° | 109.5° |
| N8 | C9 | H91 | 111.8° | 109.5° |
| N8 | C9 | H92 | 111.8° | 109.4° |
| C82 | C81 | H811 | 111.0° | 109.5° |
| C82 | C81 | H812 | 111.0° | 109.5° |
| C81 | C82 | CG | 109.9° | 109.4° |
| C81 | C82 | H821 | 112.0° | 109.4° |
| C81 | C82 | H822 | 112.0° | 109.4° |
| H811 | C81 | H812 | 99.4° | 109.4° |
| CG | C82 | H821 | 112.1° | 109.5° |
| CG | C82 | H822 | 112.1° | 109.5° |
| C82 | CG | CD1 | 119.7° | 120.0° |
| C82 | CG | CD2 | 120.2° | 120.0° |
| H821 | C82 | H822 | 98.3° | 109.5° |
| CD1 | CG | CD2 | 120.1° | 120.0° |
| CG | CD1 | CE1 | 119.4° | 120.0° |
| CG | CD1 | HD1 | 120.4° | 120.0° |
| CG | CD2 | CE2 | 120.3° | 119.9° |
| CG | CD2 | HD2 | 120.3° | 120.0° |
| CE1 | CD1 | HD1 | 120.1° | 120.0° |
| CD1 | CE1 | CZ | 120.2° | 120.0° |
| CD1 | CE1 | HE1 | 119.4° | 120.0° |
| CE2 | CD2 | HD2 | 119.3° | 120.1° |
| CD2 | CE2 | CZ | 119.7° | 120.0° |
| CD2 | CE2 | HE2 | 120.1° | 119.9° |
| CZ | CE1 | HE1 | 120.4° | 120.0° |
| CE1 | CZ | CE2 | 120.2° | 120.0° |
| CE1 | CZ | HZ | 120.4° | 120.0° |
| CZ | CE2 | HE2 | 120.2° | 120.0° |
| CE2 | CZ | HZ | 119.3° | 120.0° |
| C91 | C9 | H91 | 111.8° | 109.5° |
| C91 | C9 | H92 | 111.8° | 109.5° |
| C9 | C91 | C92 | 111.1° | 109.5° |
| C9 | C91 | H911 | 111.6° | 109.5° |
| C9 | C91 | H912 | 111.6° | 109.4° |
| H91 | C9 | H92 | 98.6° | 109.5° |
| C92 | C91 | H911 | 111.6° | 109.5° |
| C92 | C91 | H912 | 111.6° | 109.4° |
| C91 | C92 | H921 | 111.1° | 109.5° |
| C91 | C92 | H922 | 111.5° | 109.4° |
| C91 | C92 | H923 | 111.6° | 109.5° |
| H911 | C91 | H912 | 98.8° | 109.4° |
| H921 | C92 | H922 | 111.6° | 109.4° |
| H921 | C92 | H923 | 111.6° | 109.5° |
| H922 | C92 | H923 | 98.8° | 109.4° |
| HNE1 | NE | HNE2 | 111.6° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1 | O1B | C2 | 175.8° | 179.9° |
| O1A | C1 | O1B | HO1 | 180.0° | 0.0° |
| O1A | C1 | C2 | C3 | 160.2° | 0.1° |
| O1A | C1 | C2 | O6 | 18.4° | 180.0° |
| O1B | C1 | C2 | C3 | 15.8° | 180.0° |
| O1B | C1 | C2 | O6 | 165.7° | 0.1° |
| C2 | C1 | O1B | HO1 | 4.1° | 180.0° |
| C1 | C2 | C3 | O6 | 178.5° | 179.9° |
| C1 | C2 | C3 | C4 | 179.6° | 179.3° |
| C1 | C2 | C3 | H3 | 0.4° | 0.9° |
| C1 | C2 | O6 | C6 | 160.9° | 156.2° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 10.8° | 11.9° |
| C2 | C3 | C4 | NE | 134.3° | 131.7° |
| C2 | C3 | C4 | H4 | 106.9° | 107.7° |
| C3 | C2 | O6 | C6 | 17.7° | 23.9° |
| O6 | C2 | C3 | C4 | 1.9° | 0.8° |
| O6 | C2 | C3 | H3 | 178.0° | 179.1° |
| C2 | O6 | C6 | C5 | 47.1° | 56.9° |
| C2 | O6 | C6 | C7 | 163.5° | 177.0° |
| C2 | O6 | C6 | H6 | 73.2° | 63.0° |
| C3 | C4 | C5 | NE | 124.0° | 119.8° |
| C3 | C4 | C5 | H4 | 117.1° | 119.6° |
| C3 | C4 | NE | H4 | 117.2° | 120.6° |
| C3 | C4 | C5 | N5 | 158.4° | 162.3° |
| C3 | C4 | C5 | C6 | 38.1° | 42.5° |
| C3 | C4 | C5 | H5 | 81.7° | 76.8° |
| C3 | C4 | NE | HNE1 | 180.0° | 60.0° |
| C3 | C4 | NE | HNE2 | 54.8° | 173.8° |
| H3 | C3 | C4 | C5 | 169.2° | 168.0° |
| H3 | C3 | C4 | NE | 45.8° | 48.2° |
| H3 | C3 | C4 | H4 | 73.0° | 72.4° |
| C5 | C4 | NE | H4 | 118.0° | 120.6° |
| C4 | C5 | N5 | C6 | 119.7° | 118.1° |
| C4 | C5 | N5 | H5 | 120.5° | 120.9° |
| C4 | C5 | C6 | H5 | 120.5° | 119.4° |
| C4 | C5 | N5 | C10 | 125.8° | 87.3° |
| C4 | C5 | N5 | HN5 | 54.1° | 92.7° |
| C4 | C5 | C6 | O6 | 56.0° | 68.5° |
| C4 | C5 | C6 | C7 | 170.2° | 171.4° |
| C4 | C5 | C6 | H6 | 66.3° | 51.4° |
| C5 | C4 | NE | HNE1 | 55.2° | 178.8° |
| C5 | C4 | NE | HNE2 | 179.7° | 67.4° |
| NE | C4 | C5 | N5 | 77.6° | 77.9° |
| NE | C4 | C5 | C6 | 162.2° | 162.3° |
| NE | C4 | C5 | H5 | 42.3° | 43.0° |
| C4 | NE | HNE1 | HNE2 | 125.2° | 113.8° |
| H4 | C4 | C5 | N5 | 41.3° | 42.7° |
| H4 | C4 | C5 | C6 | 78.9° | 77.1° |
| H4 | C4 | C5 | H5 | 161.2° | 163.6° |
| H4 | C4 | NE | HNE1 | 62.8° | 60.6° |
| H4 | C4 | NE | HNE2 | 62.4° | 53.2° |
| N5 | C5 | C6 | H5 | 119.9° | 121.0° |
| C5 | N5 | C10 | HN5 | 180.0° | 180.0° |
| C5 | N5 | C10 | O10 | 1.4° | 3.6° |
| C5 | N5 | C10 | C11 | 179.2° | 176.4° |
| N5 | C5 | C6 | O6 | 175.6° | 171.8° |
| N5 | C5 | C6 | C7 | 70.2° | 51.8° |
| N5 | C5 | C6 | H6 | 53.3° | 68.2° |
| C6 | C5 | N5 | C10 | 114.5° | 154.5° |
| C6 | C5 | N5 | HN5 | 65.6° | 25.5° |
| C5 | C6 | O6 | C7 | 116.4° | 120.0° |
| C5 | C6 | O6 | H6 | 120.3° | 119.9° |
| C5 | C6 | C7 | H6 | 120.2° | 120.0° |
| C5 | C6 | C7 | O7 | 67.3° | 53.5° |
| C5 | C6 | C7 | N8 | 110.9° | 126.5° |
| H5 | C5 | N5 | C10 | 5.4° | 33.6° |
| H5 | C5 | N5 | HN5 | 174.6° | 146.4° |
| H5 | C5 | C6 | O6 | 64.4° | 50.8° |
| H5 | C5 | C6 | C7 | 49.7° | 69.2° |
| H5 | C5 | C6 | H6 | 173.2° | 170.8° |
| N5 | C10 | O10 | C11 | 179.4° | 179.9° |
| N5 | C10 | C11 | H111 | 180.0° | 175.0° |
| N5 | C10 | C11 | H112 | 54.8° | 55.0° |
| N5 | C10 | C11 | H113 | 54.7° | 64.9° |
| HN5 | N5 | C10 | O10 | 178.7° | 176.4° |
| HN5 | N5 | C10 | C11 | 0.8° | 3.7° |
| O10 | C10 | C11 | H111 | 0.6° | 5.1° |
| O10 | C10 | C11 | H112 | 125.8° | 125.1° |
| O10 | C10 | C11 | H113 | 124.7° | 115.0° |
| C10 | C11 | H111 | H112 | 125.2° | 120.0° |
| C10 | C11 | H111 | H113 | 125.4° | 120.1° |
| C10 | C11 | H112 | H113 | 116.9° | 120.0° |
| H111 | C11 | H112 | H113 | 116.8° | 120.0° |
| O6 | C6 | C7 | H6 | 122.0° | 120.1° |
| O6 | C6 | C7 | O7 | 50.6° | 66.4° |
| O6 | C6 | C7 | N8 | 131.3° | 113.6° |
| C6 | C7 | O7 | N8 | 178.1° | 180.0° |
| C6 | C7 | N8 | C81 | 176.4° | 171.2° |
| C6 | C7 | N8 | C9 | 5.4° | 8.8° |
| H6 | C6 | C7 | O7 | 172.5° | 173.5° |
| H6 | C6 | C7 | N8 | 9.3° | 6.5° |
| O7 | C7 | N8 | C81 | 1.7° | 8.8° |
| O7 | C7 | N8 | C9 | 176.5° | 171.1° |
| C7 | N8 | C81 | C9 | 178.3° | 180.0° |
| C7 | N8 | C81 | C82 | 76.3° | 90.0° |
| C7 | N8 | C81 | H811 | 158.4° | 30.1° |
| C7 | N8 | C81 | H812 | 48.9° | 150.0° |
| C7 | N8 | C9 | C91 | 78.5° | 82.5° |
| C7 | N8 | C9 | H91 | 156.2° | 157.5° |
| C7 | N8 | C9 | H92 | 46.8° | 37.5° |
| N8 | C81 | C82 | H811 | 125.2° | 120.0° |
| N8 | C81 | C82 | H812 | 125.2° | 120.0° |
| N8 | C81 | H811 | H812 | 116.9° | 119.9° |
| N8 | C81 | C82 | CG | 175.1° | 180.0° |
| N8 | C81 | C82 | H821 | 49.8° | 60.0° |
| N8 | C81 | C82 | H822 | 59.6° | 60.0° |
| C81 | N8 | C9 | C91 | 99.6° | 97.5° |
| C81 | N8 | C9 | H91 | 25.6° | 22.5° |
| C81 | N8 | C9 | H92 | 135.1° | 142.5° |
| C9 | N8 | C81 | C82 | 105.4° | 90.0° |
| C9 | N8 | C81 | H811 | 19.8° | 150.0° |
| C9 | N8 | C81 | H812 | 129.4° | 30.1° |
| N8 | C9 | C91 | H91 | 125.3° | 120.0° |
| N8 | C9 | C91 | H92 | 125.3° | 120.0° |
| N8 | C9 | H91 | H92 | 117.7° | 120.0° |
| N8 | C9 | C91 | C92 | 53.3° | 173.1° |
| N8 | C9 | C91 | H911 | 178.5° | 66.7° |
| N8 | C9 | C91 | H912 | 72.0° | 53.2° |
| C82 | C81 | H811 | H812 | 116.9° | 120.1° |
| C81 | C82 | CG | H821 | 125.3° | 120.0° |
| C81 | C82 | CG | H822 | 125.3° | 120.0° |
| C81 | C82 | H821 | H822 | 117.9° | 120.0° |
| C81 | C82 | CG | CD1 | 83.0° | 90.0° |
| C81 | C82 | CG | CD2 | 95.4° | 90.3° |
| H811 | C81 | C82 | CG | 59.6° | 60.0° |
| H811 | C81 | C82 | H821 | 175.1° | 180.0° |
| H811 | C81 | C82 | H822 | 65.6° | 60.0° |
| H812 | C81 | C82 | CG | 49.9° | 60.0° |
| H812 | C81 | C82 | H821 | 75.4° | 60.0° |
| H812 | C81 | C82 | H822 | 175.2° | 180.0° |
| CG | C82 | H821 | H822 | 118.0° | 120.1° |
| C82 | CG | CD1 | CD2 | 178.4° | 179.6° |
| C82 | CG | CD1 | CE1 | 177.3° | 180.0° |
| C82 | CG | CD1 | HD1 | 2.7° | 0.1° |
| C82 | CG | CD2 | CE2 | 177.0° | 179.9° |
| C82 | CG | CD2 | HD2 | 3.0° | 0.2° |
| H821 | C82 | CG | CD1 | 42.3° | 29.9° |
| H821 | C82 | CG | CD2 | 139.3° | 149.7° |
| H822 | C82 | CG | CD1 | 151.7° | 150.0° |
| H822 | C82 | CG | CD2 | 29.9° | 29.6° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 1.4° | 0.5° |
| CD1 | CG | CD2 | HD2 | 178.6° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.1° | 0.1° |
| CG | CD1 | CE1 | HE1 | 179.9° | 179.9° |
| CD2 | CG | CD1 | CE1 | 1.1° | 0.3° |
| CD2 | CG | CD1 | HD1 | 178.9° | 179.7° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.6° |
| CG | CD2 | CE2 | CZ | 0.7° | 0.4° |
| CG | CD2 | CE2 | HE2 | 179.4° | 179.7° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.6° | 0.0° |
| CD1 | CE1 | CZ | HZ | 179.5° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.9° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.1° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.3° | 0.2° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.8° |
| CD2 | CE2 | CZ | HZ | 179.8° | 179.9° |
| HD2 | CD2 | CE2 | CZ | 179.3° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.7° | 0.1° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 179.7° | 180.0° |
| HE1 | CE1 | CZ | CE2 | 179.4° | 180.0° |
| HE1 | CE1 | CZ | HZ | 0.5° | 0.0° |
| HE2 | CE2 | CZ | HZ | 0.3° | 0.0° |
| C91 | C9 | H91 | H92 | 117.7° | 120.0° |
| C9 | C91 | C92 | H911 | 125.3° | 120.1° |
| C9 | C91 | C92 | H912 | 125.3° | 119.9° |
| C9 | C91 | H911 | H912 | 117.5° | 119.9° |
| C9 | C91 | C92 | H921 | 180.0° | 175.1° |
| C9 | C91 | C92 | H922 | 54.7° | 65.0° |
| C9 | C91 | C92 | H923 | 54.7° | 54.9° |
| H91 | C9 | C91 | C92 | 72.0° | 53.1° |
| H91 | C9 | C91 | H911 | 53.2° | 173.3° |
| H91 | C9 | C91 | H912 | 162.7° | 66.8° |
| H92 | C9 | C91 | C92 | 178.5° | 66.9° |
| H92 | C9 | C91 | H911 | 56.2° | 53.2° |
| H92 | C9 | C91 | H912 | 53.2° | 173.2° |
| C92 | C91 | H911 | H912 | 117.5° | 119.9° |
| C91 | C92 | H921 | H922 | 125.2° | 119.9° |
| C91 | C92 | H921 | H923 | 125.2° | 120.1° |
| C91 | C92 | H922 | H923 | 117.5° | 120.0° |
| H911 | C91 | C92 | H921 | 54.7° | 64.8° |
| H911 | C91 | C92 | H922 | 180.0° | 55.1° |
| H911 | C91 | C92 | H923 | 70.5° | 175.0° |
| H912 | C91 | C92 | H921 | 54.7° | 55.1° |
| H912 | C91 | C92 | H922 | 70.6° | 175.0° |
| H912 | C91 | C92 | H923 | 180.0° | 65.0° |
| H921 | C92 | H922 | H923 | 117.5° | 120.0° |
