2M5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O5 | sing | 1.43Å | 1.45Å | |
| O1 | CAN | sing | 1.43Å | 1.42Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | O5 | sing | 1.43Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | CAI | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAI | HAIB | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAN | HANB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 110.7° | 109.5° |
| O1 | C1 | O5 | 107.6° | 109.5° |
| C1 | O1 | CAN | 105.6° | 114.0° |
| O1 | C1 | H1 | 111.2° | 109.5° |
| C2 | C1 | O5 | 113.1° | 109.4° |
| C1 | C2 | O2 | 106.6° | 109.5° |
| C1 | C2 | C3 | 111.5° | 109.2° |
| C2 | C1 | H1 | 105.5° | 109.5° |
| C1 | C2 | H2 | 110.0° | 109.5° |
| C1 | O5 | C5 | 113.5° | 114.1° |
| O5 | C1 | H1 | 108.7° | 109.5° |
| O1 | CAN | HAN | 109.5° | 109.5° |
| O1 | CAN | HANA | 109.5° | 109.4° |
| O1 | CAN | HANB | 109.5° | 109.5° |
| O2 | C2 | C3 | 109.2° | 109.5° |
| O2 | C2 | H2 | 112.2° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 113.9° |
| C2 | C3 | O3 | 108.3° | 109.5° |
| C2 | C3 | C4 | 110.8° | 109.1° |
| C3 | C2 | H2 | 107.3° | 109.6° |
| C2 | C3 | H3 | 109.4° | 109.5° |
| O3 | C3 | C4 | 109.6° | 109.6° |
| O3 | C3 | H3 | 110.6° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.1° |
| C3 | C4 | O4 | 110.7° | 109.5° |
| C3 | C4 | C5 | 111.2° | 109.2° |
| C4 | C3 | H3 | 108.1° | 109.6° |
| C3 | C4 | H4 | 107.7° | 109.5° |
| O4 | C4 | C5 | 110.4° | 109.5° |
| O4 | C4 | H4 | 108.6° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.1° |
| C4 | C5 | O5 | 110.9° | 109.4° |
| C4 | C5 | C6 | 114.4° | 109.5° |
| C5 | C4 | H4 | 108.1° | 109.5° |
| C4 | C5 | H5 | 104.7° | 109.4° |
| O5 | C5 | C6 | 108.4° | 109.5° |
| O5 | C5 | H5 | 111.0° | 109.4° |
| C5 | C6 | O6 | 108.4° | 109.4° |
| C5 | C6 | CAI | 112.2° | 109.5° |
| C6 | C5 | H5 | 107.3° | 109.5° |
| C5 | C6 | H61 | 109.0° | 109.5° |
| O6 | C6 | CAI | 111.3° | 109.5° |
| O6 | C6 | H61 | 110.0° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| CAI | C6 | H61 | 105.9° | 109.5° |
| C6 | CAI | HAI | 109.5° | 109.5° |
| C6 | CAI | HAIA | 109.5° | 109.4° |
| C6 | CAI | HAIB | 109.5° | 109.5° |
| HAI | CAI | HAIA | 109.5° | 109.5° |
| HAI | CAI | HAIB | 109.5° | 109.5° |
| HAIA | CAI | HAIB | 109.5° | 109.5° |
| HAN | CAN | HANA | 109.5° | 109.5° |
| HAN | CAN | HANB | 109.5° | 109.5° |
| HANA | CAN | HANB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 120.9° | 120.0° |
| O1 | C1 | C2 | H1 | 120.4° | 120.0° |
| O1 | C1 | O5 | H1 | 120.6° | 120.0° |
| O1 | C1 | C2 | O2 | 173.9° | 177.7° |
| O1 | C1 | C2 | C3 | 66.9° | 62.4° |
| O1 | C1 | O5 | C5 | 67.5° | 58.9° |
| O1 | C1 | C2 | H2 | 52.0° | 57.6° |
| C1 | O1 | CAN | HAN | 180.0° | 60.0° |
| C1 | O1 | CAN | HANA | 60.0° | 60.0° |
| C1 | O1 | CAN | HANB | 60.0° | 180.0° |
| C2 | C1 | O5 | H1 | 116.8° | 120.0° |
| C2 | C1 | O1 | CAN | 165.0° | 170.0° |
| C1 | C2 | O2 | C3 | 120.6° | 119.7° |
| C1 | C2 | O2 | H2 | 120.4° | 120.1° |
| C1 | C2 | C3 | H2 | 120.5° | 120.0° |
| C1 | C2 | C3 | O3 | 172.9° | 176.9° |
| C1 | C2 | C3 | C4 | 52.6° | 56.9° |
| C2 | C1 | O5 | C5 | 55.1° | 61.1° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3 | 66.5° | 63.0° |
| O5 | C1 | O1 | CAN | 70.9° | 70.0° |
| O5 | C1 | C2 | O2 | 65.2° | 62.3° |
| O5 | C1 | C2 | C3 | 54.0° | 57.6° |
| C1 | O5 | C5 | C4 | 54.4° | 61.1° |
| C1 | O5 | C5 | C6 | 179.2° | 178.9° |
| O5 | C1 | C2 | H2 | 172.9° | 177.6° |
| C1 | O5 | C5 | H5 | 61.6° | 58.8° |
| CAN | O1 | C1 | H1 | 48.1° | 50.0° |
| O1 | CAN | HAN | HANA | 120.0° | 119.9° |
| O1 | CAN | HAN | HANB | 120.0° | 120.0° |
| O1 | CAN | HANA | HANB | 120.0° | 120.0° |
| O2 | C2 | C3 | H2 | 121.9° | 120.1° |
| O2 | C2 | C3 | O3 | 55.3° | 57.0° |
| O2 | C2 | C3 | C4 | 64.9° | 62.9° |
| O2 | C2 | C1 | H1 | 53.5° | 57.7° |
| O2 | C2 | C3 | H3 | 176.0° | 177.1° |
| C2 | C3 | O3 | C4 | 121.0° | 119.6° |
| C2 | C3 | O3 | H3 | 119.9° | 120.1° |
| C2 | C3 | C4 | H3 | 119.9° | 119.9° |
| C2 | C3 | C4 | O4 | 176.0° | 176.9° |
| C2 | C3 | C4 | C5 | 52.9° | 56.9° |
| C3 | C2 | C1 | H1 | 172.7° | 177.6° |
| C3 | C2 | O2 | HO2 | 59.3° | 179.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 65.4° | 63.0° |
| O3 | C3 | C4 | H3 | 120.6° | 120.2° |
| O3 | C3 | C4 | O4 | 64.6° | 63.2° |
| O3 | C3 | C4 | C5 | 172.4° | 176.8° |
| O3 | C3 | C2 | H2 | 66.6° | 63.1° |
| O3 | C3 | C4 | H4 | 54.1° | 56.9° |
| C3 | C4 | O4 | C5 | 123.5° | 119.7° |
| C3 | C4 | O4 | H4 | 118.1° | 120.1° |
| C3 | C4 | C5 | H4 | 118.1° | 119.9° |
| C3 | C4 | C5 | O5 | 53.0° | 57.5° |
| C3 | C4 | C5 | C6 | 176.0° | 177.6° |
| C4 | C3 | C2 | H2 | 173.2° | 176.9° |
| C4 | C3 | O3 | HO3 | 59.0° | 179.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | H5 | 66.8° | 62.4° |
| O4 | C4 | C5 | H4 | 118.6° | 120.1° |
| O4 | C4 | C5 | O5 | 176.3° | 177.5° |
| O4 | C4 | C5 | C6 | 60.7° | 62.4° |
| O4 | C4 | C3 | H3 | 56.1° | 57.0° |
| O4 | C4 | C5 | H5 | 56.4° | 57.6° |
| C4 | C5 | O5 | C6 | 126.4° | 120.1° |
| C4 | C5 | O5 | H5 | 116.0° | 119.9° |
| C4 | C5 | C6 | H5 | 115.6° | 120.0° |
| C4 | C5 | C6 | O6 | 67.9° | 55.0° |
| C4 | C5 | C6 | CAI | 168.8° | 175.0° |
| C5 | C4 | C3 | H3 | 67.0° | 62.9° |
| C5 | C4 | O4 | HO4 | 56.5° | 179.7° |
| C4 | C5 | C6 | H61 | 51.8° | 65.0° |
| O5 | C5 | C6 | H5 | 120.0° | 120.0° |
| O5 | C5 | C6 | O6 | 56.5° | 65.0° |
| O5 | C5 | C6 | CAI | 66.9° | 55.0° |
| C5 | O5 | C1 | H1 | 171.9° | 178.9° |
| O5 | C5 | C4 | H4 | 65.1° | 62.4° |
| O5 | C5 | C6 | H61 | 176.1° | 175.0° |
| C5 | C6 | O6 | CAI | 123.9° | 120.0° |
| C5 | C6 | O6 | H61 | 119.0° | 120.0° |
| C5 | C6 | CAI | H61 | 118.8° | 120.0° |
| C6 | C5 | C4 | H4 | 57.9° | 57.7° |
| C5 | C6 | O6 | HO6 | 180.0° | 60.0° |
| C5 | C6 | CAI | HAI | 180.0° | 60.1° |
| C5 | C6 | CAI | HAIA | 60.0° | 180.0° |
| C5 | C6 | CAI | HAIB | 60.0° | 60.0° |
| O6 | C6 | CAI | H61 | 119.5° | 120.0° |
| O6 | C6 | C5 | H5 | 176.5° | 175.0° |
| O6 | C6 | CAI | HAI | 58.3° | 180.0° |
| O6 | C6 | CAI | HAIA | 61.7° | 60.0° |
| O6 | C6 | CAI | HAIB | 178.3° | 60.0° |
| CAI | C6 | C5 | H5 | 53.1° | 65.0° |
| CAI | C6 | O6 | HO6 | 56.1° | 60.0° |
| C6 | CAI | HAI | HAIA | 120.0° | 119.9° |
| C6 | CAI | HAI | HAIB | 120.0° | 120.0° |
| C6 | CAI | HAIA | HAIB | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 68.4° | 62.4° |
| H2 | C2 | O2 | HO2 | 59.6° | 60.1° |
| H2 | C2 | C3 | H3 | 54.1° | 56.9° |
| H3 | C3 | O3 | HO3 | 60.1° | 60.1° |
| H3 | C3 | C4 | H4 | 174.7° | 177.1° |
| H4 | C4 | O4 | HO4 | 61.9° | 60.2° |
| H4 | C4 | C5 | H5 | 175.1° | 177.7° |
| H5 | C5 | C6 | H61 | 63.9° | 55.0° |
| H61 | C6 | O6 | HO6 | 61.0° | 180.0° |
| H61 | C6 | CAI | HAI | 61.2° | 60.0° |
| H61 | C6 | CAI | HAIA | 178.8° | 60.0° |
| H61 | C6 | CAI | HAIB | 58.8° | 180.0° |
| HAI | CAI | HAIA | HAIB | 120.0° | 120.1° |
| HAN | CAN | HANA | HANB | 120.0° | 120.0° |
