SG4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.37Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | O5 | sing | 1.43Å | 1.47Å | |
| C2 | O2 | sing | 1.43Å | 1.37Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.45Å | 1.40Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| O3 | CAY | sing | 1.34Å | 1.28Å | |
| C4 | O4 | sing | 1.45Å | 1.40Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| O4 | CAX | sing | 1.34Å | 1.27Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | O6 | sing | 1.43Å | 1.40Å | |
| O6 | SAI | sing | 1.52Å | 1.49Å | |
| OAB | SAI | doub | 1.42Å | 1.46Å | |
| NAH | SAI | sing | 1.66Å | 1.56Å | |
| SAI | OAQ | doub | 1.42Å | 1.47Å | |
| OAW | CAX | doub | 1.21Å | 1.26Å | |
| CAX | CBA | sing | 1.51Å | 1.49Å | |
| CAY | OAZ | doub | 1.21Å | 1.26Å | |
| CAY | CBB | sing | 1.51Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| NAH | HNAH | sing | 0.97Å | 1.00Å | |
| NAH | HNAA | sing | 0.97Å | 1.00Å | |
| CBA | HBA | sing | 1.09Å | 1.10Å | |
| CBA | HBAA | sing | 1.09Å | 1.10Å | |
| CBA | HBAB | sing | 1.09Å | 1.10Å | |
| CBB | HBB | sing | 1.09Å | 1.10Å | |
| CBB | HBBA | sing | 1.09Å | 1.10Å | |
| CBB | HBBB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 116.7° | 109.5° |
| O1 | C1 | O5 | 118.4° | 109.5° |
| O1 | C1 | H1 | 96.2° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C2 | C1 | O5 | 109.6° | 109.4° |
| C1 | C2 | O2 | 118.2° | 109.6° |
| C1 | C2 | C3 | 114.0° | 109.2° |
| C2 | C1 | H1 | 108.1° | 109.5° |
| C1 | C2 | H2 | 102.7° | 109.5° |
| C1 | O5 | C5 | 111.2° | 114.1° |
| O5 | C1 | H1 | 105.8° | 109.5° |
| O2 | C2 | C3 | 118.1° | 109.6° |
| O2 | C2 | H2 | 96.0° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | O3 | 114.6° | 109.6° |
| C2 | C3 | C4 | 115.7° | 109.1° |
| C3 | C2 | H2 | 102.9° | 109.5° |
| C2 | C3 | H3 | 103.2° | 109.6° |
| O3 | C3 | C4 | 115.8° | 109.5° |
| C3 | O3 | CAY | 123.1° | 117.0° |
| O3 | C3 | H3 | 103.0° | 109.5° |
| C3 | C4 | O4 | 118.1° | 109.5° |
| C3 | C4 | C5 | 116.4° | 109.1° |
| C4 | C3 | H3 | 101.5° | 109.6° |
| C3 | C4 | H4 | 98.5° | 109.5° |
| O3 | CAY | OAZ | 120.2° | 120.0° |
| O3 | CAY | CBB | 118.9° | 120.0° |
| O4 | C4 | C5 | 114.9° | 109.5° |
| C4 | O4 | CAX | 124.4° | 117.0° |
| O4 | C4 | H4 | 100.9° | 109.5° |
| C4 | C5 | O5 | 113.5° | 109.4° |
| C4 | C5 | C6 | 112.6° | 109.4° |
| C5 | C4 | H4 | 103.5° | 109.6° |
| C4 | C5 | H5 | 106.6° | 109.5° |
| O4 | CAX | OAW | 120.9° | 120.0° |
| O4 | CAX | CBA | 118.6° | 120.0° |
| O5 | C5 | C6 | 115.3° | 109.5° |
| O5 | C5 | H5 | 103.3° | 109.5° |
| C5 | C6 | O6 | 112.1° | 109.4° |
| C6 | C5 | H5 | 104.3° | 109.5° |
| C5 | C6 | H61 | 108.6° | 109.5° |
| C5 | C6 | H62 | 108.6° | 109.5° |
| C6 | O6 | SAI | 119.3° | 114.0° |
| O6 | C6 | H61 | 108.6° | 109.4° |
| O6 | C6 | H62 | 108.6° | 109.5° |
| O6 | SAI | OAB | 107.7° | 106.4° |
| O6 | SAI | NAH | 108.8° | 107.3° |
| O6 | SAI | OAQ | 106.8° | 106.4° |
| OAB | SAI | NAH | 108.4° | 106.4° |
| OAB | SAI | OAQ | 110.6° | 123.1° |
| NAH | SAI | OAQ | 114.3° | 106.4° |
| SAI | NAH | HNAH | 109.5° | 120.0° |
| SAI | NAH | HNAA | 109.5° | 119.9° |
| OAW | CAX | CBA | 120.4° | 120.0° |
| CAX | CBA | HBA | 109.5° | 109.5° |
| CAX | CBA | HBAA | 109.4° | 109.4° |
| CAX | CBA | HBAB | 109.5° | 109.4° |
| OAZ | CAY | CBB | 120.8° | 120.0° |
| CAY | CBB | HBB | 109.5° | 109.5° |
| CAY | CBB | HBBA | 109.5° | 109.5° |
| CAY | CBB | HBBB | 109.5° | 109.5° |
| H61 | C6 | H62 | 110.3° | 109.5° |
| HNAH | NAH | HNAA | 109.5° | 120.0° |
| HBA | CBA | HBAA | 109.5° | 109.5° |
| HBA | CBA | HBAB | 109.5° | 109.5° |
| HBAA | CBA | HBAB | 109.5° | 109.5° |
| HBB | CBB | HBBA | 109.5° | 109.4° |
| HBB | CBB | HBBB | 109.4° | 109.4° |
| HBBA | CBB | HBBB | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 138.2° | 120.0° |
| O1 | C1 | C2 | H1 | 107.0° | 120.0° |
| O1 | C1 | O5 | H1 | 106.3° | 120.0° |
| O1 | C1 | C2 | O2 | 59.2° | 57.5° |
| O1 | C1 | C2 | C3 | 86.2° | 62.5° |
| O1 | C1 | O5 | C5 | 72.0° | 58.8° |
| O1 | C1 | C2 | H2 | 163.2° | 177.6° |
| C2 | C1 | O5 | H1 | 116.4° | 120.0° |
| C1 | C2 | O2 | C3 | 144.0° | 119.7° |
| C1 | C2 | O2 | H2 | 107.9° | 120.1° |
| C1 | C2 | C3 | H2 | 110.5° | 119.9° |
| C1 | C2 | C3 | O3 | 171.3° | 176.8° |
| C1 | C2 | C3 | C4 | 32.5° | 56.9° |
| C2 | C1 | O5 | C5 | 65.3° | 61.2° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 59.9° |
| C1 | C2 | C3 | H3 | 77.4° | 63.0° |
| O5 | C1 | C2 | O2 | 162.7° | 177.5° |
| O5 | C1 | C2 | C3 | 51.9° | 57.5° |
| C1 | O5 | C5 | C4 | 58.4° | 61.2° |
| C1 | O5 | C5 | C6 | 169.6° | 178.9° |
| O5 | C1 | O1 | HO1 | 45.6° | 60.0° |
| O5 | C1 | C2 | H2 | 58.7° | 62.4° |
| C1 | O5 | C5 | H5 | 56.6° | 58.8° |
| O2 | C2 | C3 | H2 | 104.1° | 120.1° |
| O2 | C2 | C3 | O3 | 43.2° | 63.2° |
| O2 | C2 | C3 | C4 | 177.9° | 176.9° |
| O2 | C2 | C1 | H1 | 47.8° | 62.5° |
| O2 | C2 | C3 | H3 | 68.0° | 57.0° |
| C2 | C3 | O3 | C4 | 138.8° | 119.6° |
| C2 | C3 | O3 | H3 | 111.4° | 120.2° |
| C2 | C3 | C4 | H3 | 110.9° | 119.9° |
| C2 | C3 | O3 | CAY | 113.6° | 89.9° |
| C2 | C3 | C4 | O4 | 168.2° | 176.9° |
| C2 | C3 | C4 | C5 | 25.2° | 57.0° |
| C3 | C2 | C1 | H1 | 166.8° | 177.5° |
| C3 | C2 | O2 | HO2 | 36.0° | 179.7° |
| C2 | C3 | C4 | H4 | 84.6° | 63.0° |
| O3 | C3 | C4 | H3 | 110.8° | 120.1° |
| O3 | C3 | C4 | O4 | 53.5° | 63.2° |
| O3 | C3 | C4 | C5 | 163.5° | 176.9° |
| C3 | O3 | CAY | OAZ | 3.9° | 0.0° |
| C3 | O3 | CAY | CBB | 175.8° | 180.0° |
| O3 | C3 | C2 | H2 | 60.8° | 56.9° |
| O3 | C3 | C4 | H4 | 53.7° | 56.9° |
| C4 | C3 | O3 | CAY | 107.7° | 150.5° |
| C3 | C4 | O4 | C5 | 143.6° | 119.6° |
| C3 | C4 | O4 | H4 | 105.8° | 120.1° |
| C3 | C4 | C5 | H4 | 106.8° | 119.9° |
| C3 | C4 | O4 | CAX | 89.1° | 150.1° |
| C3 | C4 | C5 | O5 | 37.5° | 57.6° |
| C3 | C4 | C5 | C6 | 170.8° | 177.6° |
| C4 | C3 | C2 | H2 | 78.0° | 62.9° |
| C3 | C4 | C5 | H5 | 75.4° | 62.4° |
| O3 | CAY | OAZ | CBB | 179.7° | 180.0° |
| CAY | O3 | C3 | H3 | 2.2° | 30.2° |
| O3 | CAY | CBB | HBB | 179.7° | 0.0° |
| O3 | CAY | CBB | HBBA | 60.3° | 120.0° |
| O3 | CAY | CBB | HBBB | 59.7° | 120.0° |
| O4 | C4 | C5 | H4 | 109.0° | 120.2° |
| O4 | C4 | C5 | O5 | 178.3° | 177.5° |
| O4 | C4 | C5 | C6 | 45.0° | 62.6° |
| C4 | O4 | CAX | OAW | 5.4° | 0.1° |
| C4 | O4 | CAX | CBA | 176.3° | 180.0° |
| O4 | C4 | C3 | H3 | 57.3° | 56.9° |
| O4 | C4 | C5 | H5 | 68.8° | 57.5° |
| C5 | C4 | O4 | CAX | 127.4° | 90.3° |
| C4 | C5 | O5 | C6 | 132.0° | 119.9° |
| C4 | C5 | O5 | H5 | 114.9° | 120.0° |
| C4 | C5 | C6 | H5 | 115.1° | 120.0° |
| C4 | C5 | C6 | O6 | 62.4° | 175.0° |
| C5 | C4 | C3 | H3 | 85.7° | 63.0° |
| C4 | C5 | C6 | H61 | 177.6° | 55.1° |
| C4 | C5 | C6 | H62 | 57.6° | 65.0° |
| O4 | CAX | OAW | CBA | 178.2° | 179.9° |
| CAX | O4 | C4 | H4 | 16.8° | 29.9° |
| O4 | CAX | CBA | HBA | 178.3° | 60.0° |
| O4 | CAX | CBA | HBAA | 58.3° | 179.9° |
| O4 | CAX | CBA | HBAB | 61.7° | 60.1° |
| O5 | C5 | C6 | H5 | 112.5° | 120.1° |
| O5 | C5 | C6 | O6 | 70.0° | 65.1° |
| C5 | O5 | C1 | H1 | 178.4° | 178.8° |
| O5 | C5 | C4 | H4 | 69.3° | 62.3° |
| O5 | C5 | C6 | H61 | 50.0° | 174.9° |
| O5 | C5 | C6 | H62 | 170.0° | 54.9° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 120.0° | 120.0° |
| C5 | C6 | O6 | SAI | 134.2° | 180.0° |
| C6 | C5 | C4 | H4 | 64.0° | 57.6° |
| C5 | C6 | H61 | H62 | 118.9° | 120.0° |
| C6 | O6 | SAI | OAB | 69.8° | 38.6° |
| C6 | O6 | SAI | NAH | 47.5° | 75.0° |
| C6 | O6 | SAI | OAQ | 171.3° | 171.5° |
| O6 | C6 | C5 | H5 | 177.5° | 55.0° |
| O6 | C6 | H61 | H62 | 118.9° | 120.0° |
| O6 | SAI | OAB | NAH | 117.6° | 114.2° |
| O6 | SAI | OAB | OAQ | 116.4° | 122.9° |
| O6 | SAI | NAH | OAQ | 119.3° | 113.5° |
| SAI | O6 | C6 | H61 | 14.2° | 60.0° |
| SAI | O6 | C6 | H62 | 105.9° | 60.0° |
| O6 | SAI | NAH | HNAH | 180.0° | 150.0° |
| O6 | SAI | NAH | HNAA | 60.0° | 30.1° |
| OAB | SAI | NAH | OAQ | 123.8° | 132.9° |
| OAB | SAI | NAH | HNAH | 63.1° | 96.4° |
| OAB | SAI | NAH | HNAA | 176.9° | 83.5° |
| SAI | NAH | HNAH | HNAA | 120.0° | 179.9° |
| OAQ | SAI | NAH | HNAH | 60.7° | 36.5° |
| OAQ | SAI | NAH | HNAA | 59.3° | 143.6° |
| OAW | CAX | CBA | HBA | 0.0° | 119.9° |
| OAW | CAX | CBA | HBAA | 120.0° | 0.1° |
| OAW | CAX | CBA | HBAB | 120.0° | 120.0° |
| CAX | CBA | HBA | HBAA | 120.0° | 120.0° |
| CAX | CBA | HBA | HBAB | 120.0° | 120.0° |
| CAX | CBA | HBAA | HBAB | 120.0° | 120.0° |
| OAZ | CAY | CBB | HBB | 0.0° | 180.0° |
| OAZ | CAY | CBB | HBBA | 120.0° | 60.0° |
| OAZ | CAY | CBB | HBBB | 120.0° | 60.0° |
| CAY | CBB | HBB | HBBA | 120.0° | 120.0° |
| CAY | CBB | HBB | HBBB | 120.0° | 120.1° |
| CAY | CBB | HBBA | HBBB | 120.0° | 120.1° |
| H1 | C1 | O1 | HO1 | 66.1° | 60.0° |
| H1 | C1 | C2 | H2 | 56.2° | 57.6° |
| H2 | C2 | O2 | HO2 | 72.1° | 60.2° |
| H2 | C2 | C3 | H3 | 172.1° | 177.1° |
| H3 | C3 | C4 | H4 | 164.5° | 177.1° |
| H4 | C4 | C5 | H5 | 177.8° | 177.7° |
| H5 | C5 | C6 | H61 | 62.5° | 64.9° |
| H5 | C5 | C6 | H62 | 57.5° | 175.0° |
| HBA | CBA | HBAA | HBAB | 120.0° | 120.0° |
| HBB | CBB | HBBA | HBBB | 120.0° | 119.9° |
