CPH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.24Å | |
| C9A | C1 | sing | 1.47Å | 1.45Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C1' | sing | 1.53Å | 1.58Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4A | C4 | sing | 1.51Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | C5 | doub | 1.38Å | 1.35Å | Aromatic |
| C5 | C5A | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| O6 | C6 | sing | 1.36Å | 1.40Å | |
| CC7 | C7 | sing | 1.51Å | 1.49Å | |
| C7 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| O8 | C8 | sing | 1.36Å | 1.32Å | |
| C8 | C8A | sing | 1.41Å | 1.47Å | Aromatic |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O9 | C9 | sing | 1.35Å | 1.35Å | |
| C8A | C9 | doub | 1.41Å | 1.41Å | Aromatic |
| C9 | C9A | sing | 1.40Å | 1.40Å | Aromatic |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.51Å | 1.45Å | |
| C1' | O1' | sing | 1.43Å | 1.43Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O1' | CME | sing | 1.43Å | 1.49Å | |
| C5A | C10 | doub | 1.41Å | 1.40Å | Aromatic |
| C10 | C4A | sing | 1.36Å | 1.37Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| O2' | C2' | doub | 1.21Å | 1.22Å | |
| C2' | C3' | sing | 1.51Å | 1.54Å | |
| O3' | C3' | sing | 1.43Å | 1.46Å | |
| C3' | C4' | sing | 1.53Å | 1.51Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| O4' | C4' | sing | 1.43Å | 1.47Å | |
| C4' | C5' | sing | 1.53Å | 1.48Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | HO4' | sing | 0.97Å | 0.95Å | |
| C9A | C4A | doub | 1.41Å | 1.48Å | Aromatic |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C5' | H5'B | sing | 1.09Å | 1.10Å | |
| C8A | C5A | sing | 1.42Å | 1.47Å | Aromatic |
| CC7 | HC7 | sing | 1.09Å | 1.10Å | |
| CC7 | HC7A | sing | 1.09Å | 1.10Å | |
| CC7 | HC7B | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| CME | HME | sing | 1.09Å | 1.10Å | |
| CME | HMEA | sing | 1.09Å | 1.10Å | |
| CME | HMEB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C9A | 124.1° | 121.1° |
| O1 | C1 | C2 | 114.6° | 121.1° |
| C9A | C1 | C2 | 121.3° | 117.8° |
| C1 | C9A | C9 | 124.4° | 119.2° |
| C1 | C9A | C4A | 117.1° | 120.0° |
| C1 | C2 | O2 | 112.3° | 109.8° |
| C1 | C2 | C3 | 111.3° | 107.4° |
| C1 | C2 | H2 | 107.8° | 109.8° |
| O2 | C2 | C3 | 108.3° | 109.9° |
| O2 | C2 | H2 | 109.1° | 109.8° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C2 | H2 | 107.8° | 110.0° |
| C2 | C3 | C4 | 110.9° | 109.3° |
| C2 | C3 | C1' | 113.8° | 109.5° |
| C2 | C3 | H3 | 107.7° | 109.5° |
| C4 | C3 | C1' | 109.9° | 109.5° |
| C4 | C3 | H3 | 107.3° | 109.5° |
| C3 | C4 | C4A | 113.7° | 111.2° |
| C3 | C4 | H4 | 108.4° | 109.1° |
| C3 | C4 | H4A | 108.4° | 109.1° |
| C1' | C3 | H3 | 106.9° | 109.5° |
| C3 | C1' | C2' | 112.1° | 109.5° |
| C3 | C1' | O1' | 104.9° | 109.5° |
| C3 | C1' | H1' | 107.6° | 109.4° |
| C4A | C4 | H4 | 108.4° | 109.1° |
| C4A | C4 | H4A | 108.4° | 109.1° |
| C4 | C4A | C10 | 118.7° | 118.6° |
| C4 | C4A | C9A | 121.1° | 121.3° |
| H4 | C4 | H4A | 109.5° | 109.2° |
| C6 | C5 | C5A | 121.1° | 119.9° |
| C6 | C5 | H5 | 119.5° | 120.0° |
| C5 | C6 | C7 | 124.8° | 120.8° |
| C5 | C6 | O6 | 122.7° | 119.6° |
| C5A | C5 | H5 | 119.4° | 120.1° |
| C5 | C5A | C10 | 123.1° | 120.8° |
| C5 | C5A | C8A | 119.4° | 119.4° |
| C7 | C6 | O6 | 112.5° | 119.6° |
| C6 | C7 | CC7 | 122.8° | 119.7° |
| C6 | C7 | C8 | 116.3° | 120.8° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| CC7 | C7 | C8 | 120.9° | 119.5° |
| C7 | CC7 | HC7 | 109.5° | 109.4° |
| C7 | CC7 | HC7A | 109.4° | 109.5° |
| C7 | CC7 | HC7B | 109.5° | 109.4° |
| C7 | C8 | O8 | 118.7° | 120.2° |
| C7 | C8 | C8A | 121.5° | 119.4° |
| O8 | C8 | C8A | 119.8° | 120.4° |
| C8 | O8 | HO8 | 109.5° | 114.0° |
| C8 | C8A | C9 | 122.8° | 121.0° |
| C8 | C8A | C5A | 116.7° | 119.7° |
| O9 | C9 | C8A | 117.1° | 120.3° |
| O9 | C9 | C9A | 122.4° | 120.3° |
| C9 | O9 | HO9 | 109.5° | 114.0° |
| C8A | C9 | C9A | 120.4° | 119.3° |
| C9 | C8A | C5A | 120.5° | 119.3° |
| C9 | C9A | C4A | 118.4° | 120.8° |
| C2' | C1' | O1' | 113.5° | 109.5° |
| C2' | C1' | H1' | 109.1° | 109.5° |
| C1' | C2' | O2' | 120.5° | 120.0° |
| C1' | C2' | C3' | 120.4° | 120.0° |
| O1' | C1' | H1' | 109.4° | 109.5° |
| C1' | O1' | CME | 112.8° | 114.0° |
| O1' | CME | HME | 109.5° | 109.5° |
| O1' | CME | HMEA | 109.4° | 109.5° |
| O1' | CME | HMEB | 109.5° | 109.5° |
| C5A | C10 | C4A | 122.6° | 120.7° |
| C5A | C10 | H10 | 118.7° | 119.7° |
| C10 | C5A | C8A | 117.5° | 119.8° |
| C4A | C10 | H10 | 118.7° | 119.6° |
| C10 | C4A | C9A | 120.2° | 120.1° |
| O2' | C2' | C3' | 119.1° | 120.0° |
| C2' | C3' | O3' | 108.2° | 109.5° |
| C2' | C3' | C4' | 112.6° | 109.5° |
| C2' | C3' | H3' | 106.8° | 109.5° |
| O3' | C3' | C4' | 114.2° | 109.4° |
| O3' | C3' | H3' | 107.7° | 109.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C4' | C3' | H3' | 107.1° | 109.4° |
| C3' | C4' | O4' | 105.4° | 109.5° |
| C3' | C4' | C5' | 108.3° | 109.5° |
| C3' | C4' | H4' | 109.2° | 109.4° |
| O4' | C4' | C5' | 114.4° | 109.5° |
| O4' | C4' | H4' | 109.8° | 109.4° |
| C4' | O4' | HO4' | 109.5° | 114.0° |
| C5' | C4' | H4' | 109.6° | 109.5° |
| C4' | C5' | H5' | 109.5° | 109.4° |
| C4' | C5' | H5'A | 109.4° | 109.5° |
| C4' | C5' | H5'B | 109.5° | 109.5° |
| H5' | C5' | H5'A | 109.5° | 109.5° |
| H5' | C5' | H5'B | 109.5° | 109.4° |
| H5'A | C5' | H5'B | 109.5° | 109.5° |
| HC7 | CC7 | HC7A | 109.5° | 109.5° |
| HC7 | CC7 | HC7B | 109.5° | 109.5° |
| HC7A | CC7 | HC7B | 109.4° | 109.5° |
| HME | CME | HMEA | 109.4° | 109.4° |
| HME | CME | HMEB | 109.5° | 109.4° |
| HMEA | CME | HMEB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C9A | C2 | 177.6° | 179.7° |
| O1 | C1 | C2 | O2 | 19.1° | 103.3° |
| O1 | C1 | C2 | C3 | 140.8° | 137.2° |
| O1 | C1 | C2 | H2 | 101.1° | 17.6° |
| O1 | C1 | C9A | C9 | 13.6° | 11.2° |
| O1 | C1 | C9A | C4A | 170.7° | 168.2° |
| C9A | C1 | C2 | O2 | 158.8° | 76.4° |
| C9A | C1 | C2 | C3 | 37.1° | 43.1° |
| C9A | C1 | C2 | H2 | 81.1° | 162.7° |
| C1 | C9A | C4A | C4 | 2.5° | 1.0° |
| C1 | C9A | C9 | O9 | 3.7° | 0.2° |
| C1 | C9A | C9 | C8A | 175.0° | 179.7° |
| C1 | C9A | C9 | C4A | 175.6° | 179.4° |
| C1 | C9A | C4A | C10 | 178.9° | 179.3° |
| C1 | C2 | O2 | C3 | 123.4° | 118.0° |
| C1 | C2 | O2 | H2 | 119.5° | 120.9° |
| C1 | C2 | C3 | H2 | 118.1° | 119.5° |
| C1 | C2 | C3 | C4 | 56.5° | 64.3° |
| C1 | C2 | C3 | C1' | 179.0° | 55.6° |
| C1 | C2 | C3 | H3 | 60.7° | 175.7° |
| C2 | C1 | C9A | C9 | 168.8° | 168.5° |
| C2 | C1 | C9A | C4A | 6.9° | 12.1° |
| C1 | C2 | O2 | HO2 | 9.2° | 60.0° |
| O2 | C2 | C3 | H2 | 117.9° | 121.0° |
| O2 | C2 | C3 | C4 | 179.5° | 55.1° |
| O2 | C2 | C3 | C1' | 55.0° | 175.1° |
| O2 | C2 | C3 | H3 | 63.3° | 64.8° |
| C2 | C3 | C4 | C1' | 126.7° | 120.0° |
| C2 | C3 | C4 | H3 | 117.5° | 120.0° |
| C2 | C3 | C1' | H3 | 118.8° | 120.1° |
| C2 | C3 | C4 | C4A | 48.1° | 54.7° |
| C2 | C3 | C4 | H4 | 72.5° | 175.1° |
| C2 | C3 | C4 | H4A | 168.7° | 65.7° |
| C2 | C3 | C1' | C2' | 166.3° | 174.0° |
| C2 | C3 | C1' | O1' | 70.1° | 66.0° |
| C2 | C3 | C1' | H1' | 46.3° | 54.0° |
| C3 | C2 | O2 | HO2 | 132.6° | 178.0° |
| H2 | C2 | C3 | C4 | 61.6° | 176.2° |
| H2 | C2 | C3 | C1' | 62.9° | 63.9° |
| H2 | C2 | C3 | H3 | 178.8° | 56.2° |
| H2 | C2 | O2 | HO2 | 110.3° | 60.9° |
| C4 | C3 | C1' | H3 | 116.2° | 120.0° |
| C3 | C4 | C4A | H4 | 120.6° | 120.4° |
| C3 | C4 | C4A | H4A | 120.6° | 120.4° |
| C3 | C4 | H4 | H4A | 118.1° | 119.2° |
| C4 | C3 | C1' | C2' | 68.7° | 66.1° |
| C4 | C3 | C1' | O1' | 54.9° | 53.9° |
| C4 | C3 | C1' | H1' | 171.3° | 173.9° |
| C3 | C4 | C4A | C10 | 157.9° | 157.5° |
| C3 | C4 | C4A | C9A | 18.6° | 22.8° |
| C1' | C3 | C4 | C4A | 174.8° | 65.3° |
| C1' | C3 | C4 | H4 | 54.2° | 55.2° |
| C1' | C3 | C4 | H4A | 64.6° | 174.4° |
| C3 | C1' | C2' | O1' | 118.6° | 120.0° |
| C3 | C1' | C2' | H1' | 119.1° | 120.0° |
| C3 | C1' | O1' | H1' | 115.1° | 120.0° |
| C3 | C1' | O1' | CME | 131.8° | 150.0° |
| C3 | C1' | C2' | O2' | 52.2° | 105.5° |
| C3 | C1' | C2' | C3' | 129.0° | 74.5° |
| H3 | C3 | C4 | C4A | 69.3° | 174.7° |
| H3 | C3 | C4 | H4 | 170.0° | 64.9° |
| H3 | C3 | C4 | H4A | 51.3° | 54.3° |
| H3 | C3 | C1' | C2' | 47.5° | 53.9° |
| H3 | C3 | C1' | O1' | 171.0° | 173.9° |
| H3 | C3 | C1' | H1' | 72.5° | 66.1° |
| C4A | C4 | H4 | H4A | 118.0° | 119.1° |
| C4 | C4A | C9A | C9 | 178.5° | 179.6° |
| C4 | C4A | C10 | C5A | 176.2° | 179.7° |
| C4 | C4A | C10 | C9A | 176.5° | 179.6° |
| C4 | C4A | C10 | H10 | 3.8° | 0.3° |
| H4 | C4 | C4A | C10 | 81.4° | 37.1° |
| H4 | C4 | C4A | C9A | 102.1° | 143.3° |
| H4A | C4 | C4A | C10 | 37.3° | 82.1° |
| H4A | C4 | C4A | C9A | 139.2° | 97.6° |
| C6 | C5 | C5A | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | O6 | 177.8° | 180.0° |
| C5 | C6 | C7 | CC7 | 177.0° | 180.0° |
| C5 | C6 | C7 | C8 | 1.8° | 0.6° |
| C6 | C5 | C5A | C10 | 177.1° | 179.9° |
| C6 | C5 | C5A | C8A | 4.9° | 0.6° |
| C5 | C6 | O6 | HO6 | 180.0° | 90.0° |
| C5A | C5 | C6 | C7 | 0.4° | 0.0° |
| C5A | C5 | C6 | O6 | 177.1° | 180.0° |
| C5 | C5A | C8A | C8 | 6.8° | 0.6° |
| C5 | C5A | C8A | C9 | 175.9° | 179.6° |
| C5 | C5A | C10 | C8A | 178.0° | 179.3° |
| C5 | C5A | C10 | C4A | 178.3° | 180.0° |
| C5 | C5A | C10 | H10 | 1.7° | 0.1° |
| H5 | C5 | C6 | C7 | 179.6° | 179.9° |
| H5 | C5 | C6 | O6 | 2.9° | 0.0° |
| H5 | C5 | C5A | C10 | 2.9° | 0.0° |
| H5 | C5 | C5A | C8A | 175.1° | 179.4° |
| C6 | C7 | CC7 | C8 | 178.8° | 179.4° |
| C6 | C7 | C8 | O8 | 177.0° | 180.0° |
| C6 | C7 | C8 | C8A | 0.6° | 0.6° |
| C6 | C7 | CC7 | HC7 | 90.7° | 90.0° |
| C6 | C7 | CC7 | HC7A | 149.3° | 149.9° |
| C6 | C7 | CC7 | HC7B | 29.4° | 29.9° |
| C7 | C6 | O6 | HO6 | 2.1° | 90.0° |
| O6 | C6 | C7 | CC7 | 0.8° | 0.1° |
| O6 | C6 | C7 | C8 | 179.6° | 179.4° |
| CC7 | C7 | C8 | O8 | 4.2° | 0.6° |
| CC7 | C7 | C8 | C8A | 179.4° | 179.9° |
| C7 | CC7 | HC7 | HC7A | 120.0° | 120.0° |
| C7 | CC7 | HC7 | HC7B | 120.0° | 119.9° |
| C7 | CC7 | HC7A | HC7B | 120.0° | 119.9° |
| C7 | C8 | O8 | C8A | 176.5° | 179.4° |
| C7 | C8 | O8 | HO8 | 180.0° | 90.0° |
| C7 | C8 | C8A | C9 | 178.1° | 179.0° |
| C7 | C8 | C8A | C5A | 4.7° | 0.1° |
| C8 | C7 | CC7 | HC7 | 90.6° | 89.4° |
| C8 | C7 | CC7 | HC7A | 29.4° | 30.7° |
| C8 | C7 | CC7 | HC7B | 149.4° | 150.6° |
| O8 | C8 | C8A | C9 | 1.7° | 0.4° |
| O8 | C8 | C8A | C5A | 178.9° | 179.4° |
| C8A | C8 | O8 | HO8 | 3.5° | 90.6° |
| C8 | C8A | C9 | O9 | 5.8° | 0.0° |
| C8 | C8A | C9 | C5A | 177.1° | 179.1° |
| C8 | C8A | C9 | C9A | 172.9° | 180.0° |
| C8 | C8A | C5A | C10 | 175.1° | 179.9° |
| O9 | C9 | C8A | C9A | 178.7° | 179.9° |
| O9 | C9 | C9A | C4A | 179.3° | 179.6° |
| O9 | C9 | C8A | C5A | 177.1° | 179.1° |
| C8A | C9 | O9 | HO9 | 179.4° | 90.0° |
| C9 | C8A | C5A | C10 | 2.2° | 1.0° |
| C8A | C9 | C9A | C4A | 0.6° | 0.3° |
| C9A | C9 | O9 | HO9 | 1.9° | 90.0° |
| C9 | C9A | C4A | C10 | 5.1° | 0.1° |
| C9A | C9 | C8A | C5A | 4.2° | 0.9° |
| C2' | C1' | O1' | H1' | 122.2° | 120.1° |
| C2' | C1' | O1' | CME | 105.5° | 90.0° |
| C1' | C2' | O2' | C3' | 178.9° | 180.0° |
| C1' | C2' | C3' | O3' | 157.2° | 165.6° |
| C1' | C2' | C3' | C4' | 75.7° | 74.4° |
| C1' | C2' | C3' | H3' | 41.5° | 45.6° |
| O1' | C1' | C2' | O2' | 170.8° | 14.4° |
| O1' | C1' | C2' | C3' | 10.4° | 165.5° |
| C1' | O1' | CME | HME | 180.0° | 180.0° |
| C1' | O1' | CME | HMEA | 60.0° | 60.0° |
| C1' | O1' | CME | HMEB | 60.0° | 60.0° |
| H1' | C1' | O1' | CME | 16.6° | 30.0° |
| H1' | C1' | C2' | O2' | 66.9° | 134.5° |
| H1' | C1' | C2' | C3' | 112.0° | 45.5° |
| O1' | CME | HME | HMEA | 120.0° | 120.0° |
| O1' | CME | HME | HMEB | 120.0° | 120.0° |
| O1' | CME | HMEA | HMEB | 120.0° | 120.0° |
| C5A | C10 | C4A | H10 | 180.0° | 179.9° |
| C5A | C10 | C4A | C9A | 7.3° | 0.1° |
| C4A | C10 | C5A | C8A | 3.6° | 0.6° |
| H10 | C10 | C4A | C9A | 172.7° | 180.0° |
| H10 | C10 | C5A | C8A | 176.3° | 179.4° |
| O2' | C2' | C3' | O3' | 21.7° | 14.4° |
| O2' | C2' | C3' | C4' | 105.4° | 105.6° |
| O2' | C2' | C3' | H3' | 137.4° | 134.4° |
| C2' | C3' | O3' | C4' | 126.2° | 120.0° |
| C2' | C3' | O3' | H3' | 115.1° | 120.0° |
| C2' | C3' | C4' | H3' | 117.1° | 120.0° |
| C2' | C3' | O3' | HO3' | 9.6° | 60.0° |
| C2' | C3' | C4' | O4' | 59.9° | 55.0° |
| C2' | C3' | C4' | C5' | 177.3° | 175.0° |
| C2' | C3' | C4' | H4' | 58.0° | 65.0° |
| O3' | C3' | C4' | H3' | 119.1° | 120.0° |
| O3' | C3' | C4' | O4' | 64.0° | 65.0° |
| O3' | C3' | C4' | C5' | 58.9° | 55.0° |
| O3' | C3' | C4' | H4' | 178.2° | 175.0° |
| C4' | C3' | O3' | HO3' | 116.6° | 60.0° |
| C3' | C4' | O4' | C5' | 118.8° | 120.0° |
| C3' | C4' | O4' | H4' | 117.5° | 119.9° |
| C3' | C4' | C5' | H4' | 119.0° | 120.0° |
| C3' | C4' | O4' | HO4' | 180.0° | 60.0° |
| C3' | C4' | C5' | H5' | 180.0° | 60.0° |
| C3' | C4' | C5' | H5'A | 60.0° | 180.0° |
| C3' | C4' | C5' | H5'B | 60.0° | 60.0° |
| H3' | C3' | O3' | HO3' | 124.6° | 180.0° |
| H3' | C3' | C4' | O4' | 176.9° | 175.0° |
| H3' | C3' | C4' | C5' | 60.2° | 65.0° |
| H3' | C3' | C4' | H4' | 59.1° | 55.0° |
| O4' | C4' | C5' | H4' | 123.8° | 120.0° |
| O4' | C4' | C5' | H5' | 62.8° | 60.0° |
| O4' | C4' | C5' | H5'A | 177.1° | 60.0° |
| O4' | C4' | C5' | H5'B | 57.2° | 180.0° |
| C5' | C4' | O4' | HO4' | 61.2° | 60.0° |
| C4' | C5' | H5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'B | 120.0° | 120.0° |
| C4' | C5' | H5'A | H5'B | 120.0° | 120.0° |
| H4' | C4' | O4' | HO4' | 62.5° | 180.0° |
| H4' | C4' | C5' | H5' | 60.9° | 180.0° |
| H4' | C4' | C5' | H5'A | 59.1° | 60.0° |
| H4' | C4' | C5' | H5'B | 179.0° | 60.1° |
| H5' | C5' | H5'A | H5'B | 120.0° | 120.0° |
| HC7 | CC7 | HC7A | HC7B | 120.0° | 120.1° |
| HME | CME | HMEA | HMEB | 120.0° | 119.9° |
