C5S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | N06 | sing | 1.35Å | 1.54Å | |
| C07 | O08 | doub | 1.21Å | 1.24Å | |
| N06 | C02 | sing | 1.47Å | 1.57Å | |
| C02 | C03 | sing | 1.51Å | 1.49Å | |
| C02 | C01 | sing | 1.53Å | 1.60Å | |
| O04 | C03 | doub | 1.21Å | 1.29Å | |
| C03 | O05 | sing | 1.34Å | 1.17Å | |
| C01 | C09 | sing | 1.51Å | 1.54Å | |
| C09 | O10 | doub | 1.21Å | 1.29Å | |
| C09 | O11 | sing | 1.34Å | 1.30Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| O05 | H4 | sing | 0.97Å | 0.95Å | |
| N06 | H5 | sing | 0.97Å | 1.00Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| O11 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N06 | C07 | O08 | 111.9° | 120.0° |
| C07 | N06 | C02 | 133.2° | 120.0° |
| C07 | N06 | H5 | 113.4° | 120.0° |
| N06 | C07 | H7 | 124.0° | 120.0° |
| O08 | C07 | H7 | 124.1° | 120.0° |
| N06 | C02 | C03 | 99.5° | 109.5° |
| N06 | C02 | C01 | 136.1° | 109.5° |
| N06 | C02 | H3 | 103.9° | 109.4° |
| C02 | N06 | H5 | 113.4° | 120.0° |
| C03 | C02 | C01 | 105.6° | 109.5° |
| C02 | C03 | O04 | 118.5° | 120.0° |
| C02 | C03 | O05 | 118.4° | 120.0° |
| C03 | C02 | H3 | 104.7° | 109.5° |
| C02 | C01 | C09 | 129.0° | 109.5° |
| C02 | C01 | H1 | 104.4° | 109.4° |
| C02 | C01 | H2 | 104.4° | 109.5° |
| C01 | C02 | H3 | 103.7° | 109.5° |
| O04 | C03 | O05 | 123.0° | 120.0° |
| C03 | O05 | H4 | 109.5° | 117.0° |
| C01 | C09 | O10 | 127.4° | 120.0° |
| C01 | C09 | O11 | 117.6° | 120.0° |
| C09 | C01 | H1 | 104.4° | 109.5° |
| C09 | C01 | H2 | 104.4° | 109.5° |
| O10 | C09 | O11 | 114.9° | 120.0° |
| C09 | O11 | H10 | 109.5° | 117.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N06 | C07 | O08 | H7 | 180.0° | 180.0° |
| C07 | N06 | C02 | H5 | 180.0° | 180.0° |
| C07 | N06 | C02 | C03 | 44.6° | 85.0° |
| C07 | N06 | C02 | C01 | 80.0° | 155.0° |
| C07 | N06 | C02 | H3 | 152.5° | 35.0° |
| O08 | C07 | N06 | C02 | 2.6° | 0.0° |
| O08 | C07 | N06 | H5 | 177.5° | 180.0° |
| N06 | C02 | C03 | C01 | 143.7° | 120.0° |
| N06 | C02 | C03 | H3 | 107.2° | 119.9° |
| N06 | C02 | C01 | H3 | 127.5° | 120.0° |
| N06 | C02 | C03 | O04 | 66.6° | 0.0° |
| N06 | C02 | C03 | O05 | 113.7° | 180.0° |
| N06 | C02 | C01 | C09 | 167.3° | 65.0° |
| N06 | C02 | C01 | H1 | 44.7° | 175.0° |
| N06 | C02 | C01 | H2 | 70.2° | 55.0° |
| C02 | N06 | C07 | H7 | 177.4° | 180.0° |
| C03 | C02 | C01 | H3 | 109.9° | 120.0° |
| C02 | C03 | O04 | O05 | 179.7° | 180.0° |
| C03 | C02 | C01 | C09 | 44.7° | 175.0° |
| C03 | C02 | C01 | H1 | 77.9° | 55.0° |
| C03 | C02 | C01 | H2 | 167.2° | 65.0° |
| C02 | C03 | O05 | H4 | 179.7° | 180.0° |
| C03 | C02 | N06 | H5 | 135.3° | 95.0° |
| C01 | C02 | C03 | O04 | 149.7° | 120.0° |
| C01 | C02 | C03 | O05 | 30.0° | 60.0° |
| C02 | C01 | C09 | H1 | 122.6° | 120.0° |
| C02 | C01 | C09 | H2 | 122.6° | 120.0° |
| C02 | C01 | C09 | O10 | 15.5° | 0.0° |
| C02 | C01 | C09 | O11 | 168.3° | 180.0° |
| C02 | C01 | H1 | H2 | 111.3° | 120.0° |
| C01 | C02 | N06 | H5 | 100.0° | 25.0° |
| O04 | C03 | C02 | H3 | 40.6° | 119.9° |
| O04 | C03 | O05 | H4 | 0.0° | 0.1° |
| O05 | C03 | C02 | H3 | 139.1° | 60.0° |
| C01 | C09 | O10 | O11 | 176.3° | 180.0° |
| C09 | C01 | H1 | H2 | 111.3° | 120.0° |
| C09 | C01 | C02 | H3 | 65.2° | 55.0° |
| C01 | C09 | O11 | H10 | 176.7° | 180.0° |
| O10 | C09 | C01 | H1 | 138.1° | 120.0° |
| O10 | C09 | C01 | H2 | 107.0° | 120.0° |
| O10 | C09 | O11 | H10 | 0.0° | 0.0° |
| O11 | C09 | C01 | H1 | 45.7° | 60.0° |
| O11 | C09 | C01 | H2 | 69.2° | 60.0° |
| H1 | C01 | C02 | H3 | 172.3° | 65.0° |
| H2 | C01 | C02 | H3 | 57.4° | 175.0° |
| H3 | C02 | N06 | H5 | 27.4° | 145.0° |
| H5 | N06 | C07 | H7 | 2.5° | 0.0° |
