8HS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| O17 | N16 | sing | 1.42Å | 1.42Å | |
| C14 | C12 | sing | 1.53Å | 1.53Å | |
| N16 | C02 | sing | 1.35Å | 1.47Å | |
| C12 | O15 | sing | 1.43Å | 1.57Å | |
| C12 | O11 | sing | 1.44Å | 1.32Å | |
| O09 | P07 | doub | 1.48Å | 1.49Å | |
| O15 | C03 | sing | 1.44Å | 1.24Å | |
| O11 | C04 | sing | 1.45Å | 1.44Å | |
| C02 | C03 | sing | 1.51Å | 1.59Å | |
| C02 | O01 | doub | 1.21Å | 1.17Å | |
| P07 | O10 | sing | 1.61Å | 1.51Å | |
| P07 | O08 | sing | 1.61Å | 1.51Å | |
| P07 | O06 | sing | 1.61Å | 1.62Å | |
| C03 | C04 | sing | 1.55Å | 1.57Å | |
| C05 | C04 | sing | 1.53Å | 1.48Å | |
| C05 | O06 | sing | 1.43Å | 1.43Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| N16 | H11 | sing | 0.97Å | 1.00Å | |
| O08 | H12 | sing | 0.97Å | 0.95Å | |
| O10 | H13 | sing | 0.97Å | 0.95Å | |
| O17 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C14 | 107.6° | 109.6° |
| C13 | C12 | O15 | 110.5° | 109.6° |
| C13 | C12 | O11 | 110.4° | 109.5° |
| C12 | C13 | H4 | 109.5° | 109.4° |
| C12 | C13 | H5 | 109.5° | 109.4° |
| C12 | C13 | H6 | 109.5° | 109.4° |
| O17 | N16 | C02 | 120.5° | 119.9° |
| O17 | N16 | H11 | 119.7° | 120.0° |
| N16 | O17 | H14 | 109.5° | 113.9° |
| C14 | C12 | O15 | 110.3° | 109.7° |
| C14 | C12 | O11 | 110.2° | 109.7° |
| C12 | C14 | H1 | 109.5° | 109.4° |
| C12 | C14 | H2 | 109.5° | 109.5° |
| C12 | C14 | H3 | 109.5° | 109.5° |
| N16 | C02 | C03 | 119.7° | 120.0° |
| N16 | C02 | O01 | 119.9° | 120.0° |
| C02 | N16 | H11 | 119.8° | 120.1° |
| O15 | C12 | O11 | 107.9° | 108.8° |
| C12 | O15 | C03 | 108.8° | 107.3° |
| C12 | O11 | C04 | 107.2° | 104.8° |
| O09 | P07 | O10 | 109.5° | 109.4° |
| O09 | P07 | O08 | 109.4° | 109.5° |
| O09 | P07 | O06 | 109.5° | 109.4° |
| O15 | C03 | C02 | 110.3° | 110.7° |
| O15 | C03 | C04 | 106.9° | 103.1° |
| O15 | C03 | H7 | 111.8° | 110.9° |
| O11 | C04 | C03 | 106.3° | 101.7° |
| O11 | C04 | C05 | 110.4° | 111.0° |
| O11 | C04 | H8 | 109.7° | 111.0° |
| C03 | C02 | O01 | 120.4° | 120.0° |
| C02 | C03 | C04 | 113.8° | 110.6° |
| C02 | C03 | H7 | 106.9° | 110.7° |
| O10 | P07 | O08 | 109.6° | 109.5° |
| O10 | P07 | O06 | 109.3° | 109.5° |
| P07 | O10 | H13 | 109.5° | 114.0° |
| O08 | P07 | O06 | 109.6° | 109.5° |
| P07 | O08 | H12 | 109.5° | 114.0° |
| P07 | O06 | C05 | 118.5° | 123.1° |
| C03 | C04 | C05 | 113.2° | 111.0° |
| C04 | C03 | H7 | 107.1° | 110.7° |
| C03 | C04 | H8 | 108.0° | 110.9° |
| C04 | C05 | O06 | 109.1° | 109.5° |
| C05 | C04 | H8 | 109.1° | 110.9° |
| C04 | C05 | H9 | 109.6° | 109.4° |
| C04 | C05 | H10 | 109.6° | 109.5° |
| O06 | C05 | H9 | 109.6° | 109.4° |
| O06 | C05 | H10 | 109.6° | 109.5° |
| H1 | C14 | H2 | 109.5° | 109.4° |
| H1 | C14 | H3 | 109.5° | 109.4° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H4 | C13 | H6 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.4° | 109.6° |
| H9 | C05 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C14 | O15 | 120.6° | 120.4° |
| C13 | C12 | C14 | O11 | 120.4° | 120.2° |
| C13 | C12 | O15 | O11 | 120.8° | 119.7° |
| C13 | C12 | O15 | C03 | 102.8° | 120.4° |
| C13 | C12 | O11 | C04 | 104.9° | 144.1° |
| C13 | C12 | C14 | H1 | 180.0° | 178.9° |
| C13 | C12 | C14 | H2 | 60.0° | 61.1° |
| C13 | C12 | C14 | H3 | 60.0° | 59.0° |
| C12 | C13 | H4 | H5 | 120.0° | 120.0° |
| C12 | C13 | H4 | H6 | 120.0° | 119.9° |
| C12 | C13 | H5 | H6 | 120.0° | 120.0° |
| O17 | N16 | C02 | H11 | 180.0° | 180.0° |
| O17 | N16 | C02 | C03 | 179.6° | 174.9° |
| O17 | N16 | C02 | O01 | 1.0° | 5.2° |
| C14 | C12 | O15 | O11 | 120.4° | 119.9° |
| C14 | C12 | O15 | C03 | 138.4° | 119.2° |
| C14 | C12 | O11 | C04 | 136.4° | 95.6° |
| C12 | C14 | H1 | H2 | 120.0° | 120.0° |
| C12 | C14 | H1 | H3 | 120.0° | 120.0° |
| C12 | C14 | H2 | H3 | 120.0° | 120.1° |
| C14 | C12 | C13 | H4 | 180.0° | 60.7° |
| C14 | C12 | C13 | H5 | 60.0° | 179.3° |
| C14 | C12 | C13 | H6 | 60.0° | 59.3° |
| N16 | C02 | C03 | O15 | 16.2° | 175.1° |
| N16 | C02 | C03 | O01 | 178.7° | 180.0° |
| N16 | C02 | C03 | C04 | 103.9° | 71.3° |
| N16 | C02 | C03 | H7 | 138.0° | 51.8° |
| C02 | N16 | O17 | H14 | 0.5° | 180.0° |
| O15 | C12 | O11 | C04 | 16.0° | 24.3° |
| C12 | O15 | C03 | C02 | 113.5° | 97.0° |
| C12 | O15 | C03 | C04 | 10.7° | 21.4° |
| O15 | C12 | C14 | H1 | 59.4° | 58.6° |
| O15 | C12 | C14 | H2 | 179.4° | 178.5° |
| O15 | C12 | C14 | H3 | 60.6° | 61.4° |
| O15 | C12 | C13 | H4 | 59.5° | 178.9° |
| O15 | C12 | C13 | H5 | 60.5° | 58.9° |
| O15 | C12 | C13 | H6 | 179.6° | 61.2° |
| C12 | O15 | C03 | H7 | 127.6° | 139.9° |
| O11 | C12 | O15 | C03 | 18.0° | 0.7° |
| C12 | O11 | C04 | C03 | 10.0° | 36.1° |
| C12 | O11 | C04 | C05 | 113.1° | 154.3° |
| O11 | C12 | C14 | H1 | 59.6° | 60.8° |
| O11 | C12 | C14 | H2 | 60.4° | 59.1° |
| O11 | C12 | C14 | H3 | 179.6° | 179.2° |
| O11 | C12 | C13 | H4 | 59.7° | 59.7° |
| O11 | C12 | C13 | H5 | 179.7° | 60.4° |
| O11 | C12 | C13 | H6 | 60.3° | 179.6° |
| C12 | O11 | C04 | H8 | 126.6° | 82.0° |
| O09 | P07 | O10 | O08 | 119.9° | 120.0° |
| O09 | P07 | O10 | O06 | 120.0° | 119.9° |
| O09 | P07 | O08 | O06 | 120.1° | 120.0° |
| O09 | P07 | O06 | C05 | 6.4° | 55.0° |
| O09 | P07 | O08 | H12 | 0.0° | 180.0° |
| O09 | P07 | O10 | H13 | 0.0° | 60.0° |
| O15 | C03 | C04 | O11 | 1.5° | 35.5° |
| O15 | C03 | C02 | C04 | 120.1° | 113.6° |
| O15 | C03 | C02 | H7 | 121.8° | 123.3° |
| O15 | C03 | C02 | O01 | 162.5° | 4.9° |
| O15 | C03 | C04 | H7 | 120.0° | 118.6° |
| O15 | C03 | C04 | C05 | 122.9° | 153.7° |
| O15 | C03 | C04 | H8 | 116.1° | 82.6° |
| O11 | C04 | C03 | C02 | 120.5° | 82.8° |
| O11 | C04 | C03 | C05 | 121.4° | 118.2° |
| O11 | C04 | C03 | H8 | 117.6° | 118.1° |
| O11 | C04 | C05 | H8 | 120.6° | 123.8° |
| O11 | C04 | C05 | O06 | 74.7° | 72.9° |
| O11 | C04 | C03 | H7 | 121.5° | 154.1° |
| O11 | C04 | C05 | H9 | 165.4° | 167.2° |
| O11 | C04 | C05 | H10 | 45.3° | 47.2° |
| C02 | C03 | C04 | H7 | 118.0° | 123.1° |
| C02 | C03 | C04 | C05 | 0.9° | 35.3° |
| C02 | C03 | C04 | H8 | 121.9° | 159.1° |
| C03 | C02 | N16 | H11 | 0.4° | 5.1° |
| O01 | C02 | C03 | C04 | 77.4° | 108.7° |
| O01 | C02 | C03 | H7 | 40.7° | 128.2° |
| O01 | C02 | N16 | H11 | 179.0° | 174.9° |
| O10 | P07 | O08 | O06 | 119.9° | 120.1° |
| O10 | P07 | O06 | C05 | 126.4° | 175.0° |
| O10 | P07 | O08 | H12 | 120.0° | 60.0° |
| O08 | P07 | O06 | C05 | 113.5° | 65.0° |
| O08 | P07 | O10 | H13 | 119.9° | 60.0° |
| P07 | O06 | C05 | C04 | 87.2° | 180.0° |
| P07 | O06 | C05 | H9 | 152.9° | 60.0° |
| P07 | O06 | C05 | H10 | 32.8° | 59.9° |
| O06 | P07 | O08 | H12 | 120.1° | 60.0° |
| O06 | P07 | O10 | H13 | 120.0° | 180.0° |
| C03 | C04 | C05 | H8 | 120.4° | 123.8° |
| C03 | C04 | C05 | O06 | 166.3° | 174.7° |
| C03 | C04 | C05 | H9 | 46.4° | 54.8° |
| C03 | C04 | C05 | H10 | 73.7° | 65.2° |
| C04 | C05 | O06 | H9 | 119.9° | 120.0° |
| C04 | C05 | O06 | H10 | 120.0° | 120.1° |
| C05 | C04 | C03 | H7 | 117.1° | 87.7° |
| C04 | C05 | H9 | H10 | 120.2° | 120.0° |
| O06 | C05 | C04 | H8 | 46.0° | 51.0° |
| O06 | C05 | H9 | H10 | 120.2° | 120.0° |
| H1 | C14 | H2 | H3 | 120.0° | 120.0° |
| H4 | C13 | H5 | H6 | 120.0° | 120.1° |
| H7 | C03 | C04 | H8 | 3.9° | 36.0° |
| H8 | C04 | C05 | H9 | 74.0° | 69.0° |
| H8 | C04 | C05 | H10 | 165.9° | 171.0° |
| H11 | N16 | O17 | H14 | 179.5° | 0.1° |
