9HB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | O09 | sing | 1.45Å | 1.40Å | |
| O08 | C07 | doub | 1.21Å | 1.21Å | |
| O09 | C07 | sing | 1.34Å | 1.37Å | |
| C07 | C06 | sing | 1.51Å | 1.48Å | |
| C06 | C05 | sing | 1.53Å | 1.49Å | |
| C05 | C03 | sing | 1.51Å | 1.50Å | |
| C03 | O02 | sing | 1.34Å | 1.37Å | |
| C03 | O04 | doub | 1.21Å | 1.23Å | |
| O02 | C01 | sing | 1.45Å | 1.38Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | O09 | C07 | 116.8° | 117.0° |
| O09 | C10 | H1 | 109.5° | 109.5° |
| O09 | C10 | H2 | 109.5° | 109.4° |
| O09 | C10 | H3 | 109.5° | 109.4° |
| O08 | C07 | O09 | 117.5° | 120.0° |
| O08 | C07 | C06 | 118.4° | 120.0° |
| O09 | C07 | C06 | 122.7° | 120.0° |
| C07 | C06 | C05 | 112.4° | 109.5° |
| C07 | C06 | H9 | 108.8° | 109.5° |
| C07 | C06 | H10 | 108.7° | 109.5° |
| C06 | C05 | C03 | 115.9° | 109.5° |
| C06 | C05 | H7 | 107.8° | 109.4° |
| C06 | C05 | H8 | 107.8° | 109.4° |
| C05 | C06 | H9 | 108.7° | 109.4° |
| C05 | C06 | H10 | 108.7° | 109.4° |
| C05 | C03 | O02 | 118.1° | 120.0° |
| C05 | C03 | O04 | 120.3° | 120.0° |
| C03 | C05 | H7 | 107.8° | 109.5° |
| C03 | C05 | H8 | 107.8° | 109.5° |
| O02 | C03 | O04 | 121.3° | 120.0° |
| C03 | O02 | C01 | 122.7° | 117.0° |
| O02 | C01 | H4 | 109.5° | 109.5° |
| O02 | C01 | H5 | 109.4° | 109.4° |
| O02 | C01 | H6 | 109.5° | 109.4° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.4° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H7 | C05 | H8 | 109.4° | 109.5° |
| H9 | C06 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | O09 | C07 | O08 | 5.7° | 0.0° |
| C10 | O09 | C07 | C06 | 172.0° | 180.0° |
| O09 | C10 | H1 | H2 | 120.0° | 120.0° |
| O09 | C10 | H1 | H3 | 120.0° | 120.0° |
| O09 | C10 | H2 | H3 | 120.0° | 120.0° |
| O08 | C07 | O09 | C06 | 166.3° | 180.0° |
| O08 | C07 | C06 | C05 | 22.3° | 0.0° |
| O08 | C07 | C06 | H9 | 142.7° | 120.0° |
| O08 | C07 | C06 | H10 | 98.1° | 120.0° |
| O09 | C07 | C06 | C05 | 171.5° | 180.0° |
| C07 | O09 | C10 | H1 | 180.0° | 180.0° |
| C07 | O09 | C10 | H2 | 60.0° | 60.0° |
| C07 | O09 | C10 | H3 | 60.0° | 60.0° |
| O09 | C07 | C06 | H9 | 51.1° | 60.0° |
| O09 | C07 | C06 | H10 | 68.1° | 60.0° |
| C07 | C06 | C05 | H9 | 120.4° | 120.0° |
| C07 | C06 | C05 | H10 | 120.4° | 120.0° |
| C07 | C06 | C05 | C03 | 66.6° | 180.0° |
| C07 | C06 | C05 | H7 | 172.5° | 60.0° |
| C07 | C06 | C05 | H8 | 54.4° | 60.0° |
| C07 | C06 | H9 | H10 | 118.7° | 120.1° |
| C06 | C05 | C03 | H7 | 120.9° | 120.0° |
| C06 | C05 | C03 | H8 | 121.0° | 120.0° |
| C06 | C05 | C03 | O02 | 155.4° | 180.0° |
| C06 | C05 | C03 | O04 | 18.7° | 0.0° |
| C06 | C05 | H7 | H8 | 117.1° | 120.0° |
| C05 | C06 | H9 | H10 | 118.7° | 120.0° |
| C05 | C03 | O02 | O04 | 174.0° | 180.0° |
| C05 | C03 | O02 | C01 | 176.3° | 180.0° |
| C03 | C05 | H7 | H8 | 117.1° | 120.1° |
| C03 | C05 | C06 | H9 | 53.8° | 60.0° |
| C03 | C05 | C06 | H10 | 173.0° | 60.0° |
| C03 | O02 | C01 | H4 | 180.0° | 180.0° |
| C03 | O02 | C01 | H5 | 60.0° | 60.0° |
| C03 | O02 | C01 | H6 | 60.0° | 60.0° |
| O02 | C03 | C05 | H7 | 83.7° | 60.0° |
| O02 | C03 | C05 | H8 | 34.4° | 60.0° |
| O04 | C03 | O02 | C01 | 2.3° | 0.0° |
| O04 | C03 | C05 | H7 | 102.2° | 120.0° |
| O04 | C03 | C05 | H8 | 139.7° | 120.0° |
| O02 | C01 | H4 | H5 | 120.0° | 120.0° |
| O02 | C01 | H4 | H6 | 120.0° | 120.0° |
| O02 | C01 | H5 | H6 | 120.0° | 120.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H7 | C05 | C06 | H9 | 67.1° | 180.0° |
| H7 | C05 | C06 | H10 | 52.0° | 60.0° |
| H8 | C05 | C06 | H9 | 174.8° | 60.0° |
| H8 | C05 | C06 | H10 | 66.0° | 180.0° |
