SG5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O5 | sing | 1.43Å | 1.33Å | |
| C1 | C2 | sing | 1.53Å | 1.45Å | |
| C1 | O1 | sing | 1.43Å | 1.37Å | |
| O5 | C5 | sing | 1.43Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | O2 | sing | 1.45Å | 1.39Å | |
| C3 | C4 | sing | 1.53Å | 1.68Å | |
| C3 | O3 | sing | 1.45Å | 1.40Å | |
| C4 | C5 | sing | 1.53Å | 1.64Å | |
| C4 | O4 | sing | 1.45Å | 1.40Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| O2 | C2B | sing | 1.34Å | 1.28Å | |
| C2B | O2C | doub | 1.21Å | 1.26Å | |
| C2B | C2D | sing | 1.51Å | 1.50Å | |
| C2D | C2E | sing | 1.53Å | 1.49Å | |
| O3 | C3B | sing | 1.34Å | 1.28Å | |
| C3B | O3C | doub | 1.21Å | 1.25Å | |
| C3B | C3D | sing | 1.51Å | 1.51Å | |
| C3D | C3E | sing | 1.53Å | 1.52Å | |
| O4 | C4B | sing | 1.34Å | 1.29Å | |
| C4B | O4C | doub | 1.21Å | 1.25Å | |
| C4B | C4D | sing | 1.51Å | 1.51Å | |
| C4D | C4E | sing | 1.53Å | 1.50Å | |
| C6 | O6 | sing | 1.43Å | 1.41Å | |
| O6 | S5C | sing | 1.52Å | 1.49Å | |
| S5C | O5D | doub | 1.42Å | 1.47Å | |
| S5C | O5E | doub | 1.42Å | 1.46Å | |
| S5C | N5F | sing | 1.66Å | 1.56Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| C2D | H2DA | sing | 1.09Å | 1.10Å | |
| C2E | H2E | sing | 1.09Å | 1.10Å | |
| C2E | H2EA | sing | 1.09Å | 1.10Å | |
| C2E | H2EB | sing | 1.09Å | 1.10Å | |
| C3D | H3D | sing | 1.09Å | 1.10Å | |
| C3D | H3DA | sing | 1.09Å | 1.10Å | |
| C3E | H3E | sing | 1.09Å | 1.10Å | |
| C3E | H3EA | sing | 1.09Å | 1.10Å | |
| C3E | H3EB | sing | 1.09Å | 1.10Å | |
| C4D | H4D | sing | 1.09Å | 1.10Å | |
| C4D | H4DA | sing | 1.09Å | 1.10Å | |
| C4E | H4E | sing | 1.09Å | 1.10Å | |
| C4E | H4EA | sing | 1.09Å | 1.10Å | |
| C4E | H4EB | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| N5F | HN5F | sing | 0.97Å | 1.00Å | |
| N5F | HN5A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C1 | C2 | 111.0° | 109.4° |
| O5 | C1 | O1 | 121.6° | 109.5° |
| C1 | O5 | C5 | 113.4° | 114.1° |
| O5 | C1 | H1 | 101.9° | 109.5° |
| C2 | C1 | O1 | 117.0° | 109.5° |
| C1 | C2 | C3 | 112.0° | 109.2° |
| C1 | C2 | O2 | 115.4° | 109.5° |
| C2 | C1 | H1 | 109.1° | 109.5° |
| C1 | C2 | H2 | 103.8° | 109.5° |
| O1 | C1 | H1 | 92.2° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| O5 | C5 | C4 | 111.5° | 109.4° |
| O5 | C5 | C6 | 117.2° | 109.5° |
| O5 | C5 | H5 | 101.8° | 109.4° |
| C3 | C2 | O2 | 110.8° | 109.6° |
| C2 | C3 | C4 | 111.8° | 109.0° |
| C2 | C3 | O3 | 116.7° | 109.6° |
| C3 | C2 | H2 | 109.1° | 109.6° |
| C2 | C3 | H3 | 103.7° | 109.5° |
| C2 | O2 | C2B | 123.0° | 117.0° |
| O2 | C2 | H2 | 105.1° | 109.6° |
| C4 | C3 | O3 | 113.1° | 109.5° |
| C3 | C4 | C5 | 109.1° | 109.2° |
| C3 | C4 | O4 | 115.1° | 109.5° |
| C4 | C3 | H3 | 108.2° | 109.5° |
| C3 | C4 | H4 | 108.6° | 109.5° |
| C3 | O3 | C3B | 122.3° | 117.0° |
| O3 | C3 | H3 | 102.1° | 109.6° |
| C5 | C4 | O4 | 116.6° | 109.5° |
| C4 | C5 | C6 | 107.5° | 109.5° |
| C5 | C4 | H4 | 106.9° | 109.5° |
| C4 | C5 | H5 | 112.6° | 109.5° |
| C4 | O4 | C4B | 121.2° | 117.0° |
| O4 | C4 | H4 | 99.5° | 109.5° |
| C5 | C6 | O6 | 110.6° | 109.5° |
| C6 | C5 | H5 | 106.2° | 109.5° |
| C5 | C6 | H61 | 109.1° | 109.4° |
| C5 | C6 | H62 | 109.1° | 109.4° |
| O2 | C2B | O2C | 119.5° | 120.0° |
| O2 | C2B | C2D | 116.5° | 120.0° |
| O2C | C2B | C2D | 120.0° | 120.0° |
| C2B | C2D | C2E | 117.8° | 109.4° |
| C2B | C2D | H2D | 106.8° | 109.5° |
| C2B | C2D | H2DA | 106.8° | 109.5° |
| C2E | C2D | H2D | 106.8° | 109.5° |
| C2E | C2D | H2DA | 106.8° | 109.5° |
| C2D | C2E | H2E | 109.5° | 109.5° |
| C2D | C2E | H2EA | 109.5° | 109.5° |
| C2D | C2E | H2EB | 109.5° | 109.4° |
| O3 | C3B | O3C | 119.8° | 120.0° |
| O3 | C3B | C3D | 117.0° | 120.0° |
| O3C | C3B | C3D | 121.0° | 120.0° |
| C3B | C3D | C3E | 117.8° | 109.5° |
| C3B | C3D | H3D | 106.8° | 109.5° |
| C3B | C3D | H3DA | 106.8° | 109.5° |
| C3E | C3D | H3D | 106.8° | 109.4° |
| C3E | C3D | H3DA | 106.8° | 109.4° |
| C3D | C3E | H3E | 109.5° | 109.5° |
| C3D | C3E | H3EA | 109.5° | 109.4° |
| C3D | C3E | H3EB | 109.5° | 109.5° |
| O4 | C4B | O4C | 120.0° | 120.0° |
| O4 | C4B | C4D | 119.2° | 120.0° |
| O4C | C4B | C4D | 120.7° | 120.0° |
| C4B | C4D | C4E | 116.7° | 109.5° |
| C4B | C4D | H4D | 107.1° | 109.4° |
| C4B | C4D | H4DA | 107.1° | 109.5° |
| C4E | C4D | H4D | 107.2° | 109.5° |
| C4E | C4D | H4DA | 107.1° | 109.5° |
| C4D | C4E | H4E | 109.5° | 109.5° |
| C4D | C4E | H4EA | 109.5° | 109.5° |
| C4D | C4E | H4EB | 109.5° | 109.5° |
| C6 | O6 | S5C | 115.7° | 114.0° |
| O6 | C6 | H61 | 109.1° | 109.5° |
| O6 | C6 | H62 | 109.1° | 109.5° |
| O6 | S5C | O5D | 107.3° | 106.4° |
| O6 | S5C | O5E | 107.1° | 106.4° |
| O6 | S5C | N5F | 108.4° | 107.3° |
| O5D | S5C | O5E | 114.2° | 123.1° |
| O5D | S5C | N5F | 113.9° | 106.4° |
| O5E | S5C | N5F | 105.6° | 106.4° |
| S5C | N5F | HN5F | 109.5° | 120.0° |
| S5C | N5F | HN5A | 109.5° | 120.1° |
| H2D | C2D | H2DA | 112.0° | 109.5° |
| H2E | C2E | H2EA | 109.5° | 109.5° |
| H2E | C2E | H2EB | 109.5° | 109.5° |
| H2EA | C2E | H2EB | 109.5° | 109.5° |
| H3D | C3D | H3DA | 112.1° | 109.5° |
| H3E | C3E | H3EA | 109.4° | 109.5° |
| H3E | C3E | H3EB | 109.5° | 109.5° |
| H3EA | C3E | H3EB | 109.5° | 109.4° |
| H4D | C4D | H4DA | 111.7° | 109.5° |
| H4E | C4E | H4EA | 109.4° | 109.4° |
| H4E | C4E | H4EB | 109.5° | 109.5° |
| H4EA | C4E | H4EB | 109.5° | 109.4° |
| H61 | C6 | H62 | 109.9° | 109.5° |
| HN5F | N5F | HN5A | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C1 | C2 | O1 | 145.6° | 120.0° |
| O5 | C1 | C2 | H1 | 111.5° | 120.0° |
| O5 | C1 | O1 | H1 | 105.4° | 120.0° |
| O5 | C1 | C2 | C3 | 62.8° | 57.6° |
| O5 | C1 | C2 | O2 | 169.1° | 177.5° |
| C1 | O5 | C5 | C4 | 62.8° | 61.1° |
| C1 | O5 | C5 | C6 | 172.8° | 178.8° |
| O5 | C1 | C2 | H2 | 54.7° | 62.3° |
| C1 | O5 | C5 | H5 | 57.4° | 58.8° |
| O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
| C2 | C1 | O1 | H1 | 112.8° | 120.0° |
| C2 | C1 | O5 | C5 | 76.5° | 61.1° |
| C1 | C2 | C3 | O2 | 130.4° | 119.9° |
| C1 | C2 | C3 | H2 | 114.3° | 119.9° |
| C1 | C2 | O2 | H2 | 113.6° | 120.1° |
| C1 | C2 | C3 | C4 | 40.5° | 56.9° |
| C1 | C2 | C3 | O3 | 172.8° | 176.8° |
| C1 | C2 | O2 | C2B | 138.6° | 90.0° |
| C1 | C2 | C3 | H3 | 75.8° | 62.9° |
| C2 | C1 | O1 | HO1 | 38.3° | 180.0° |
| O1 | C1 | O5 | C5 | 67.3° | 58.8° |
| O1 | C1 | C2 | C3 | 82.8° | 62.4° |
| O1 | C1 | C2 | O2 | 45.3° | 57.6° |
| O1 | C1 | C2 | H2 | 159.7° | 177.7° |
| O5 | C5 | C4 | C3 | 38.1° | 57.6° |
| O5 | C5 | C4 | C6 | 129.7° | 120.0° |
| O5 | C5 | C4 | H5 | 113.7° | 119.9° |
| O5 | C5 | C4 | O4 | 170.7° | 177.5° |
| O5 | C5 | C6 | H5 | 112.9° | 120.0° |
| O5 | C5 | C6 | O6 | 69.2° | 65.0° |
| C5 | O5 | C1 | H1 | 167.5° | 178.8° |
| O5 | C5 | C4 | H4 | 79.2° | 62.3° |
| O5 | C5 | C6 | H61 | 50.8° | 175.0° |
| O5 | C5 | C6 | H62 | 170.8° | 55.0° |
| C3 | C2 | O2 | H2 | 117.7° | 120.2° |
| C2 | C3 | C4 | O3 | 134.1° | 119.9° |
| C2 | C3 | C4 | H3 | 113.5° | 119.8° |
| C2 | C3 | O3 | H3 | 112.2° | 120.2° |
| C2 | C3 | C4 | C5 | 29.2° | 57.0° |
| C2 | C3 | C4 | O4 | 162.5° | 176.9° |
| C3 | C2 | O2 | C2B | 92.7° | 150.3° |
| C2 | C3 | O3 | C3B | 117.2° | 90.0° |
| C3 | C2 | C1 | H1 | 174.3° | 177.6° |
| C2 | C3 | C4 | H4 | 87.0° | 63.0° |
| O2 | C2 | C3 | C4 | 170.9° | 176.9° |
| O2 | C2 | C3 | O3 | 56.8° | 63.3° |
| C2 | O2 | C2B | O2C | 21.1° | 0.0° |
| C2 | O2 | C2B | C2D | 178.7° | 180.0° |
| O2 | C2 | C1 | H1 | 57.6° | 62.5° |
| O2 | C2 | C3 | H3 | 54.6° | 57.0° |
| C4 | C3 | O3 | H3 | 116.0° | 120.2° |
| C3 | C4 | C5 | O4 | 132.5° | 119.9° |
| C3 | C4 | C5 | H4 | 117.3° | 119.9° |
| C3 | C4 | O4 | H4 | 115.8° | 120.1° |
| C3 | C4 | C5 | C6 | 167.8° | 177.6° |
| C4 | C3 | O3 | C3B | 111.0° | 150.5° |
| C3 | C4 | O4 | C4B | 93.4° | 150.0° |
| C4 | C3 | C2 | H2 | 73.8° | 62.9° |
| C3 | C4 | C5 | H5 | 75.6° | 62.3° |
| O3 | C3 | C4 | C5 | 163.3° | 176.9° |
| O3 | C3 | C4 | O4 | 63.4° | 63.2° |
| C3 | O3 | C3B | O3C | 17.2° | 0.1° |
| C3 | O3 | C3B | C3D | 179.5° | 180.0° |
| O3 | C3 | C2 | H2 | 58.6° | 57.0° |
| O3 | C3 | C4 | H4 | 47.1° | 56.9° |
| C5 | C4 | O4 | H4 | 114.4° | 120.1° |
| C4 | C5 | C6 | H5 | 120.7° | 120.1° |
| C5 | C4 | O4 | C4B | 136.9° | 90.2° |
| C4 | C5 | C6 | O6 | 57.2° | 175.0° |
| C5 | C4 | C3 | H3 | 84.3° | 62.9° |
| C4 | C5 | C6 | H61 | 177.2° | 55.1° |
| C4 | C5 | C6 | H62 | 62.8° | 64.9° |
| O4 | C4 | C5 | C6 | 59.6° | 62.5° |
| C4 | O4 | C4B | O4C | 1.0° | 0.1° |
| C4 | O4 | C4B | C4D | 177.7° | 180.0° |
| O4 | C4 | C3 | H3 | 49.0° | 57.1° |
| O4 | C4 | C5 | H5 | 57.0° | 57.6° |
| C5 | C6 | O6 | H61 | 120.0° | 119.9° |
| C5 | C6 | O6 | H62 | 120.0° | 120.0° |
| C5 | C6 | O6 | S5C | 135.5° | 180.0° |
| C6 | C5 | C4 | H4 | 50.5° | 57.6° |
| C5 | C6 | H61 | H62 | 119.5° | 119.9° |
| O2 | C2B | O2C | C2D | 156.9° | 180.0° |
| O2 | C2B | C2D | C2E | 107.5° | 180.0° |
| C2B | O2 | C2 | H2 | 25.0° | 30.1° |
| O2 | C2B | C2D | H2D | 12.5° | 60.0° |
| O2 | C2B | C2D | H2DA | 132.5° | 60.0° |
| O2C | C2B | C2D | C2E | 50.0° | 0.0° |
| O2C | C2B | C2D | H2D | 170.0° | 120.0° |
| O2C | C2B | C2D | H2DA | 70.0° | 120.0° |
| C2B | C2D | C2E | H2D | 120.0° | 120.0° |
| C2B | C2D | C2E | H2DA | 120.0° | 120.0° |
| C2B | C2D | H2D | H2DA | 116.6° | 120.0° |
| C2B | C2D | C2E | H2E | 180.0° | 60.0° |
| C2B | C2D | C2E | H2EA | 60.0° | 60.0° |
| C2B | C2D | C2E | H2EB | 60.0° | 180.0° |
| C2E | C2D | H2D | H2DA | 116.6° | 120.0° |
| C2D | C2E | H2E | H2EA | 120.0° | 120.0° |
| C2D | C2E | H2E | H2EB | 120.0° | 119.9° |
| C2D | C2E | H2EA | H2EB | 120.0° | 119.9° |
| O3 | C3B | O3C | C3D | 162.7° | 180.0° |
| O3 | C3B | C3D | C3E | 156.8° | 180.0° |
| C3B | O3 | C3 | H3 | 5.0° | 30.3° |
| O3 | C3B | C3D | H3D | 36.8° | 60.0° |
| O3 | C3B | C3D | H3DA | 83.2° | 60.0° |
| O3C | C3B | C3D | C3E | 6.4° | 0.0° |
| O3C | C3B | C3D | H3D | 126.3° | 120.0° |
| O3C | C3B | C3D | H3DA | 113.6° | 119.9° |
| C3B | C3D | C3E | H3D | 120.0° | 120.0° |
| C3B | C3D | C3E | H3DA | 120.0° | 120.0° |
| C3B | C3D | H3D | H3DA | 116.6° | 120.1° |
| C3B | C3D | C3E | H3E | 180.0° | 180.0° |
| C3B | C3D | C3E | H3EA | 60.0° | 60.0° |
| C3B | C3D | C3E | H3EB | 60.0° | 60.0° |
| C3E | C3D | H3D | H3DA | 116.6° | 119.9° |
| C3D | C3E | H3E | H3EA | 120.0° | 120.0° |
| C3D | C3E | H3E | H3EB | 120.0° | 120.0° |
| C3D | C3E | H3EA | H3EB | 120.0° | 120.0° |
| O4 | C4B | O4C | C4D | 176.6° | 179.9° |
| O4 | C4B | C4D | C4E | 52.7° | 180.0° |
| C4B | O4 | C4 | H4 | 22.5° | 29.9° |
| O4 | C4B | C4D | H4D | 172.7° | 60.1° |
| O4 | C4B | C4D | H4DA | 67.3° | 59.9° |
| O4C | C4B | C4D | C4E | 123.9° | 0.1° |
| O4C | C4B | C4D | H4D | 3.9° | 120.0° |
| O4C | C4B | C4D | H4DA | 116.1° | 120.0° |
| C4B | C4D | C4E | H4D | 120.0° | 120.0° |
| C4B | C4D | C4E | H4DA | 120.0° | 120.0° |
| C4B | C4D | H4D | H4DA | 117.0° | 120.0° |
| C4B | C4D | C4E | H4E | 180.0° | 60.0° |
| C4B | C4D | C4E | H4EA | 60.0° | 180.0° |
| C4B | C4D | C4E | H4EB | 60.0° | 60.1° |
| C4E | C4D | H4D | H4DA | 117.0° | 120.0° |
| C4D | C4E | H4E | H4EA | 120.0° | 120.0° |
| C4D | C4E | H4E | H4EB | 120.0° | 120.1° |
| C4D | C4E | H4EA | H4EB | 120.0° | 120.0° |
| C6 | O6 | S5C | O5D | 168.6° | 171.5° |
| C6 | O6 | S5C | O5E | 68.4° | 38.6° |
| C6 | O6 | S5C | N5F | 45.1° | 75.0° |
| O6 | C6 | C5 | H5 | 177.9° | 55.0° |
| O6 | C6 | H61 | H62 | 119.5° | 120.1° |
| O6 | S5C | O5D | O5E | 118.5° | 122.9° |
| O6 | S5C | O5D | N5F | 120.0° | 114.1° |
| O6 | S5C | O5E | N5F | 115.4° | 114.1° |
| S5C | O6 | C6 | H61 | 15.5° | 60.1° |
| S5C | O6 | C6 | H62 | 104.5° | 60.0° |
| O6 | S5C | N5F | HN5F | 180.0° | 0.0° |
| O6 | S5C | N5F | HN5A | 60.0° | 180.0° |
| O5D | S5C | O5E | N5F | 126.0° | 122.9° |
| O5D | S5C | N5F | HN5F | 60.7° | 113.6° |
| O5D | S5C | N5F | HN5A | 59.3° | 66.4° |
| O5E | S5C | N5F | HN5F | 65.5° | 113.5° |
| O5E | S5C | N5F | HN5A | 174.5° | 66.5° |
| S5C | N5F | HN5F | HN5A | 120.0° | 180.0° |
| H1 | C1 | C2 | H2 | 56.8° | 57.7° |
| H1 | C1 | O1 | HO1 | 74.6° | 60.0° |
| H2 | C2 | C3 | H3 | 169.9° | 177.3° |
| H3 | C3 | C4 | H4 | 159.5° | 177.2° |
| H4 | C4 | C5 | H5 | 167.1° | 177.7° |
| H5 | C5 | C6 | H61 | 62.1° | 65.0° |
| H5 | C5 | C6 | H62 | 57.9° | 175.0° |
| H2D | C2D | C2E | H2E | 60.0° | 180.0° |
| H2D | C2D | C2E | H2EA | 180.0° | 60.0° |
| H2D | C2D | C2E | H2EB | 60.0° | 60.0° |
| H2DA | C2D | C2E | H2E | 60.0° | 59.9° |
| H2DA | C2D | C2E | H2EA | 60.0° | 180.0° |
| H2DA | C2D | C2E | H2EB | 180.0° | 60.0° |
| H2E | C2E | H2EA | H2EB | 120.0° | 120.0° |
| H3D | C3D | C3E | H3E | 60.0° | 60.0° |
| H3D | C3D | C3E | H3EA | 180.0° | 180.0° |
| H3D | C3D | C3E | H3EB | 60.0° | 60.0° |
| H3DA | C3D | C3E | H3E | 60.0° | 60.0° |
| H3DA | C3D | C3E | H3EA | 60.0° | 60.0° |
| H3DA | C3D | C3E | H3EB | 180.0° | 180.0° |
| H3E | C3E | H3EA | H3EB | 120.0° | 120.0° |
| H4D | C4D | C4E | H4E | 60.0° | 60.0° |
| H4D | C4D | C4E | H4EA | 180.0° | 60.0° |
| H4D | C4D | C4E | H4EB | 60.0° | 179.9° |
| H4DA | C4D | C4E | H4E | 60.0° | 180.0° |
| H4DA | C4D | C4E | H4EA | 60.0° | 60.0° |
| H4DA | C4D | C4E | H4EB | 180.0° | 59.9° |
| H4E | C4E | H4EA | H4EB | 120.0° | 120.0° |
