HO7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | S03 | sing | 1.82Å | 1.80Å | |
| C02 | C01 | sing | 1.53Å | 1.57Å | |
| S03 | C04 | sing | 1.78Å | 1.66Å | |
| C01 | N08 | sing | 1.46Å | 1.54Å | |
| C04 | N08 | sing | 1.36Å | 1.48Å | |
| C04 | N05 | doub | 1.31Å | 1.45Å | |
| N08 | C07 | sing | 1.49Å | 1.44Å | |
| N05 | C06 | sing | 1.46Å | 1.47Å | |
| C07 | C06 | sing | 1.54Å | 1.54Å | |
| C06 | C09 | sing | 1.51Å | 1.51Å | |
| C10 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | BR1 | sing | 1.89Å | 1.93Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S03 | C02 | C01 | 108.9° | 104.4° |
| C02 | S03 | C04 | 98.3° | 96.3° |
| S03 | C02 | H5 | 109.6° | 110.4° |
| S03 | C02 | H6 | 109.6° | 110.4° |
| C02 | C01 | N08 | 101.8° | 112.6° |
| C02 | C01 | H3 | 111.3° | 108.9° |
| C02 | C01 | H4 | 111.3° | 108.8° |
| C01 | C02 | H5 | 109.6° | 110.5° |
| C01 | C02 | H6 | 109.6° | 110.4° |
| S03 | C04 | N08 | 107.7° | 109.5° |
| S03 | C04 | N05 | 137.9° | 136.5° |
| C01 | N08 | C04 | 119.1° | 117.1° |
| C01 | N08 | C07 | 133.1° | 135.0° |
| N08 | C01 | H3 | 111.3° | 108.8° |
| N08 | C01 | H4 | 111.4° | 108.8° |
| N08 | C04 | N05 | 114.4° | 113.9° |
| C04 | N08 | C07 | 107.8° | 108.0° |
| C04 | N05 | C06 | 100.4° | 110.4° |
| N08 | C07 | C06 | 103.3° | 103.6° |
| N08 | C07 | H8 | 111.0° | 110.6° |
| N08 | C07 | H9 | 111.0° | 110.7° |
| N05 | C06 | C07 | 114.0° | 104.0° |
| N05 | C06 | C09 | 106.0° | 110.5° |
| N05 | C06 | H7 | 110.1° | 110.6° |
| C07 | C06 | C09 | 107.9° | 110.6° |
| C07 | C06 | H7 | 109.1° | 110.5° |
| C06 | C07 | H8 | 111.0° | 110.6° |
| C06 | C07 | H9 | 111.0° | 110.6° |
| C06 | C09 | C10 | 123.0° | 120.0° |
| C06 | C09 | C14 | 116.0° | 120.0° |
| C09 | C06 | H7 | 109.5° | 110.5° |
| C09 | C10 | C11 | 118.7° | 120.0° |
| C10 | C09 | C14 | 121.0° | 120.0° |
| C09 | C10 | H1 | 120.7° | 120.0° |
| C10 | C11 | C12 | 119.3° | 120.0° |
| C11 | C10 | H1 | 120.6° | 120.0° |
| C10 | C11 | H10 | 120.3° | 120.0° |
| C09 | C14 | C13 | 120.5° | 120.0° |
| C09 | C14 | H11 | 119.8° | 120.0° |
| C14 | C13 | C12 | 119.3° | 120.0° |
| C14 | C13 | H2 | 120.3° | 120.0° |
| C13 | C14 | H11 | 119.8° | 120.0° |
| C11 | C12 | C13 | 121.2° | 120.0° |
| C11 | C12 | BR1 | 122.3° | 120.0° |
| C12 | C11 | H10 | 120.4° | 120.0° |
| C13 | C12 | BR1 | 116.5° | 120.0° |
| C12 | C13 | H2 | 120.4° | 120.1° |
| H3 | C01 | H4 | 109.5° | 108.8° |
| H5 | C02 | H6 | 109.5° | 110.5° |
| H8 | C07 | H9 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S03 | C02 | C01 | H5 | 119.9° | 118.7° |
| S03 | C02 | C01 | H6 | 119.9° | 118.7° |
| S03 | C02 | C01 | N08 | 19.1° | 0.0° |
| C02 | S03 | C04 | N08 | 12.3° | 0.1° |
| C02 | S03 | C04 | N05 | 168.8° | 179.9° |
| S03 | C02 | C01 | H3 | 99.7° | 120.8° |
| S03 | C02 | C01 | H4 | 137.8° | 120.8° |
| S03 | C02 | H5 | H6 | 120.3° | 122.5° |
| C01 | C02 | S03 | C04 | 19.8° | 0.0° |
| C02 | C01 | N08 | H3 | 118.7° | 120.8° |
| C02 | C01 | N08 | H4 | 118.7° | 120.7° |
| C02 | C01 | N08 | C04 | 11.9° | 0.0° |
| C02 | C01 | N08 | C07 | 167.5° | 180.0° |
| C02 | C01 | H3 | H4 | 123.5° | 118.4° |
| C01 | C02 | H5 | H6 | 120.2° | 122.5° |
| S03 | C04 | N08 | C01 | 1.5° | 0.1° |
| S03 | C04 | N08 | N05 | 179.2° | 179.9° |
| S03 | C04 | N08 | C07 | 179.0° | 179.9° |
| S03 | C04 | N05 | C06 | 178.6° | 179.9° |
| C04 | S03 | C02 | H5 | 139.8° | 118.7° |
| C04 | S03 | C02 | H6 | 100.1° | 118.7° |
| C01 | N08 | C04 | C07 | 179.5° | 180.0° |
| C01 | N08 | C04 | N05 | 179.3° | 180.0° |
| C01 | N08 | C07 | C06 | 179.4° | 180.0° |
| N08 | C01 | H3 | H4 | 123.6° | 118.5° |
| N08 | C01 | C02 | H5 | 139.0° | 118.7° |
| N08 | C01 | C02 | H6 | 100.9° | 118.7° |
| C01 | N08 | C07 | H8 | 61.6° | 61.5° |
| C01 | N08 | C07 | H9 | 60.4° | 61.4° |
| N08 | C04 | N05 | C06 | 0.2° | 0.0° |
| C04 | N08 | C07 | C06 | 0.0° | 0.0° |
| C04 | N08 | C01 | H3 | 106.9° | 120.9° |
| C04 | N08 | C01 | H4 | 130.6° | 120.7° |
| C04 | N08 | C07 | H8 | 119.0° | 118.5° |
| C04 | N08 | C07 | H9 | 119.0° | 118.6° |
| N05 | C04 | N08 | C07 | 0.2° | 0.0° |
| C04 | N05 | C06 | C07 | 0.2° | 0.0° |
| C04 | N05 | C06 | C09 | 118.4° | 118.7° |
| C04 | N05 | C06 | H7 | 123.3° | 118.7° |
| N08 | C07 | C06 | N05 | 0.1° | 0.0° |
| N08 | C07 | C06 | H8 | 119.0° | 118.5° |
| N08 | C07 | C06 | H9 | 119.0° | 118.7° |
| N08 | C07 | C06 | C09 | 117.4° | 118.6° |
| C07 | N08 | C01 | H3 | 73.8° | 59.1° |
| C07 | N08 | C01 | H4 | 48.7° | 59.3° |
| N08 | C07 | C06 | H7 | 123.7° | 118.8° |
| N08 | C07 | H8 | H9 | 122.9° | 123.0° |
| N05 | C06 | C07 | C09 | 117.5° | 118.7° |
| N05 | C06 | C07 | H7 | 123.6° | 118.7° |
| N05 | C06 | C09 | H7 | 118.7° | 122.7° |
| N05 | C06 | C09 | C10 | 9.5° | 143.5° |
| N05 | C06 | C09 | C14 | 170.8° | 36.6° |
| N05 | C06 | C07 | H8 | 119.1° | 118.5° |
| N05 | C06 | C07 | H9 | 118.9° | 118.7° |
| C07 | C06 | C09 | H7 | 118.7° | 122.6° |
| C07 | C06 | C09 | C10 | 132.1° | 101.9° |
| C07 | C06 | C09 | C14 | 48.2° | 78.0° |
| C06 | C07 | H8 | H9 | 122.8° | 122.8° |
| C06 | C09 | C10 | C14 | 179.7° | 179.9° |
| C06 | C09 | C10 | C11 | 178.5° | 179.9° |
| C06 | C09 | C14 | C13 | 178.8° | 180.0° |
| C06 | C09 | C10 | H1 | 1.6° | 0.2° |
| C09 | C06 | C07 | H8 | 1.7° | 122.8° |
| C09 | C06 | C07 | H9 | 123.6° | 0.0° |
| C06 | C09 | C14 | H11 | 1.2° | 0.1° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C10 | C09 | C14 | C13 | 0.9° | 0.1° |
| C09 | C10 | C11 | C12 | 1.2° | 0.0° |
| C10 | C09 | C06 | H7 | 109.2° | 20.8° |
| C09 | C10 | C11 | H10 | 178.8° | 180.0° |
| C10 | C09 | C14 | H11 | 179.1° | 180.0° |
| C11 | C10 | C09 | C14 | 1.3° | 0.0° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.8° | 0.0° |
| C10 | C11 | C12 | BR1 | 179.6° | 180.0° |
| C09 | C14 | C13 | H11 | 180.0° | 179.9° |
| C09 | C14 | C13 | C12 | 0.4° | 0.1° |
| C14 | C09 | C10 | H1 | 178.7° | 179.7° |
| C09 | C14 | C13 | H2 | 179.6° | 180.0° |
| C14 | C09 | C06 | H7 | 70.5° | 159.3° |
| C14 | C13 | C12 | C11 | 0.4° | 0.0° |
| C14 | C13 | C12 | H2 | 180.0° | 179.9° |
| C14 | C13 | C12 | BR1 | 180.0° | 180.0° |
| C11 | C12 | C13 | BR1 | 179.6° | 180.0° |
| C12 | C11 | C10 | H1 | 178.8° | 179.7° |
| C11 | C12 | C13 | H2 | 179.6° | 180.0° |
| C13 | C12 | C11 | H10 | 179.2° | 180.0° |
| C12 | C13 | C14 | H11 | 179.5° | 180.0° |
| BR1 | C12 | C13 | H2 | 0.0° | 0.0° |
| BR1 | C12 | C11 | H10 | 0.4° | 0.0° |
| H1 | C10 | C11 | H10 | 1.2° | 0.3° |
| H2 | C13 | C14 | H11 | 0.4° | 0.0° |
| H3 | C01 | C02 | H5 | 20.2° | 120.5° |
| H3 | C01 | C02 | H6 | 140.4° | 2.1° |
| H4 | C01 | C02 | H5 | 102.2° | 2.0° |
| H4 | C01 | C02 | H6 | 17.9° | 120.5° |
| H7 | C06 | C07 | H8 | 117.3° | 0.2° |
| H7 | C06 | C07 | H9 | 4.7° | 122.6° |
