BS7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.40Å | |
| O3 | C3 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| O5 | C1 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C06 | C01 | doub | 1.39Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.37Å | 1.37Å | Aromatic |
| O1 | C05 | sing | 1.36Å | 1.41Å | |
| C01 | C02 | sing | 1.36Å | 1.35Å | Aromatic |
| C05 | C04 | doub | 1.41Å | 1.38Å | Aromatic |
| C02 | C03 | doub | 1.40Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.42Å | 1.39Å | Aromatic |
| C04 | N19 | sing | 1.34Å | 1.36Å | Aromatic |
| C03 | C22 | sing | 1.41Å | 1.39Å | Aromatic |
| N19 | C20 | doub | 1.31Å | 1.37Å | Aromatic |
| C22 | C21 | doub | 1.37Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 111.2° | 109.4° |
| O6 | C6 | H61 | 109.0° | 109.5° |
| O6 | C6 | H62 | 109.0° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C6 | C5 | C4 | 113.4° | 109.5° |
| C6 | C5 | O5 | 108.9° | 109.5° |
| C6 | C5 | H5 | 107.3° | 109.5° |
| C5 | C6 | H61 | 109.1° | 109.5° |
| C5 | C6 | H62 | 109.0° | 109.5° |
| C5 | C4 | O4 | 111.6° | 109.5° |
| C5 | C4 | C3 | 108.0° | 109.2° |
| C4 | C5 | O5 | 110.1° | 109.4° |
| C5 | C4 | H4 | 109.2° | 109.6° |
| C4 | C5 | H5 | 107.8° | 109.5° |
| O4 | C4 | C3 | 108.8° | 109.5° |
| O4 | C4 | H4 | 110.3° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C3 | O3 | 111.5° | 109.6° |
| C4 | C3 | C2 | 109.8° | 109.1° |
| C4 | C3 | H3 | 108.6° | 109.6° |
| C3 | C4 | H4 | 109.0° | 109.5° |
| C5 | O5 | C1 | 111.9° | 114.1° |
| O5 | C5 | H5 | 109.2° | 109.5° |
| O3 | C3 | C2 | 108.2° | 109.5° |
| O3 | C3 | H3 | 109.7° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C2 | C1 | 109.2° | 109.1° |
| C3 | C2 | O2 | 107.8° | 109.5° |
| C2 | C3 | H3 | 108.9° | 109.5° |
| C3 | C2 | H2 | 109.6° | 109.5° |
| O5 | C1 | C2 | 110.5° | 109.4° |
| O5 | C1 | O1 | 105.9° | 109.5° |
| O5 | C1 | H1 | 110.9° | 109.4° |
| C1 | C2 | O2 | 110.2° | 109.5° |
| C2 | C1 | O1 | 108.6° | 109.5° |
| C2 | C1 | H1 | 109.8° | 109.5° |
| C1 | C2 | H2 | 109.7° | 109.5° |
| O2 | C2 | H2 | 110.4° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C1 | O1 | C05 | 119.6° | 117.0° |
| O1 | C1 | H1 | 110.9° | 109.5° |
| C01 | C06 | C05 | 120.2° | 121.1° |
| C06 | C01 | C02 | 120.8° | 120.9° |
| C06 | C01 | H011 | 119.6° | 119.6° |
| C01 | C06 | H061 | 119.9° | 119.5° |
| C06 | C05 | O1 | 123.3° | 120.2° |
| C06 | C05 | C04 | 118.7° | 119.6° |
| C05 | C06 | H061 | 119.9° | 119.5° |
| O1 | C05 | C04 | 118.0° | 120.2° |
| C01 | C02 | C03 | 119.4° | 119.7° |
| C02 | C01 | H011 | 119.6° | 119.5° |
| C01 | C02 | H021 | 120.3° | 120.1° |
| C05 | C04 | C03 | 121.3° | 119.1° |
| C05 | C04 | N19 | 117.4° | 121.1° |
| C02 | C03 | C04 | 119.6° | 119.6° |
| C02 | C03 | C22 | 121.3° | 121.4° |
| C03 | C02 | H021 | 120.3° | 120.1° |
| C03 | C04 | N19 | 121.3° | 119.9° |
| C04 | C03 | C22 | 119.1° | 119.0° |
| C04 | N19 | C20 | 120.2° | 121.3° |
| C03 | C22 | C21 | 119.0° | 118.1° |
| C03 | C22 | H221 | 120.5° | 120.9° |
| N19 | C20 | C21 | 120.3° | 121.8° |
| N19 | C20 | H201 | 119.9° | 119.1° |
| C22 | C21 | C20 | 120.2° | 119.9° |
| C22 | C21 | H211 | 119.9° | 120.0° |
| C21 | C22 | H221 | 120.5° | 121.0° |
| C21 | C20 | H201 | 119.9° | 119.2° |
| C20 | C21 | H211 | 119.9° | 120.1° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H61 | 120.3° | 120.0° |
| O6 | C6 | C5 | H62 | 120.3° | 120.0° |
| O6 | C6 | C5 | C4 | 74.7° | 175.0° |
| O6 | C6 | C5 | O5 | 48.3° | 65.1° |
| O6 | C6 | C5 | H5 | 166.4° | 55.0° |
| O6 | C6 | H61 | H62 | 119.2° | 120.0° |
| C6 | C5 | C4 | O5 | 122.4° | 120.0° |
| C6 | C5 | C4 | H5 | 118.6° | 120.0° |
| C6 | C5 | C4 | O4 | 61.2° | 57.7° |
| C6 | C5 | C4 | C3 | 179.3° | 177.6° |
| C6 | C5 | O5 | H5 | 116.9° | 120.1° |
| C6 | C5 | O5 | C1 | 172.3° | 178.9° |
| C6 | C5 | C4 | H4 | 61.0° | 62.5° |
| C5 | C6 | H61 | H62 | 119.2° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C5 | C4 | O4 | C3 | 119.0° | 119.6° |
| C5 | C4 | O4 | H4 | 121.5° | 120.2° |
| C5 | C4 | C3 | H4 | 118.5° | 119.9° |
| C4 | C5 | O5 | H5 | 118.1° | 120.0° |
| C5 | C4 | C3 | O3 | 175.6° | 176.9° |
| C5 | C4 | C3 | C2 | 55.6° | 57.0° |
| C4 | C5 | O5 | C1 | 62.7° | 61.1° |
| C5 | C4 | C3 | H3 | 63.4° | 62.9° |
| C4 | C5 | C6 | H61 | 45.5° | 55.0° |
| C4 | C5 | C6 | H62 | 165.0° | 65.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 180.0° |
| O4 | C4 | C3 | H4 | 120.3° | 120.2° |
| O4 | C4 | C5 | O5 | 61.2° | 62.3° |
| O4 | C4 | C3 | O3 | 54.3° | 57.1° |
| O4 | C4 | C3 | C2 | 65.7° | 62.9° |
| O4 | C4 | C3 | H3 | 175.3° | 177.2° |
| O4 | C4 | C5 | H5 | 179.7° | 177.8° |
| C3 | C4 | C5 | O5 | 58.3° | 57.6° |
| C4 | C3 | O3 | C2 | 120.9° | 119.7° |
| C4 | C3 | O3 | H3 | 120.3° | 120.2° |
| C4 | C3 | C2 | H3 | 118.8° | 119.9° |
| C4 | C3 | C2 | C1 | 55.9° | 57.0° |
| C4 | C3 | C2 | O2 | 175.5° | 176.9° |
| C4 | C3 | C2 | H2 | 64.3° | 62.9° |
| C3 | C4 | C5 | H5 | 60.8° | 62.4° |
| C3 | C4 | O4 | HO4 | 61.0° | 60.4° |
| C4 | C3 | O3 | HO3 | 180.0° | 179.6° |
| C5 | O5 | C1 | C2 | 62.5° | 61.2° |
| C5 | O5 | C1 | O1 | 180.0° | 178.8° |
| C5 | O5 | C1 | H1 | 59.6° | 58.8° |
| O5 | C5 | C4 | H4 | 176.6° | 177.5° |
| O5 | C5 | C6 | H61 | 168.6° | 174.9° |
| O5 | C5 | C6 | H62 | 71.9° | 54.9° |
| O3 | C3 | C2 | H3 | 119.2° | 120.1° |
| O3 | C3 | C2 | C1 | 177.9° | 177.0° |
| O3 | C3 | C2 | O2 | 62.5° | 63.1° |
| O3 | C3 | C2 | H2 | 57.6° | 57.1° |
| O3 | C3 | C4 | H4 | 66.0° | 63.2° |
| C3 | C2 | C1 | O5 | 58.2° | 57.6° |
| C3 | C2 | C1 | O2 | 118.2° | 119.9° |
| C3 | C2 | C1 | H2 | 120.2° | 119.9° |
| C3 | C2 | O2 | H2 | 119.7° | 120.2° |
| C3 | C2 | C1 | O1 | 174.1° | 177.6° |
| C3 | C2 | C1 | H1 | 64.5° | 62.4° |
| C2 | C3 | C4 | H4 | 174.1° | 176.9° |
| C2 | C3 | O3 | HO3 | 59.1° | 60.0° |
| C3 | C2 | O2 | HO2 | 180.0° | 179.9° |
| O5 | C1 | C2 | O1 | 115.8° | 120.0° |
| O5 | C1 | C2 | H1 | 122.7° | 119.9° |
| O5 | C1 | C2 | O2 | 176.4° | 177.5° |
| O5 | C1 | O1 | H1 | 120.4° | 120.0° |
| O5 | C1 | O1 | C05 | 72.4° | 65.0° |
| O5 | C1 | C2 | H2 | 61.9° | 62.3° |
| C1 | O5 | C5 | H5 | 55.5° | 58.8° |
| C1 | C2 | O2 | H2 | 121.3° | 120.1° |
| C2 | C1 | O1 | H1 | 120.8° | 120.0° |
| C2 | C1 | O1 | C05 | 168.9° | 175.0° |
| C1 | C2 | C3 | H3 | 62.9° | 62.9° |
| C1 | C2 | O2 | HO2 | 61.0° | 60.3° |
| O2 | C2 | C1 | O1 | 67.8° | 62.5° |
| O2 | C2 | C3 | H3 | 56.7° | 57.0° |
| O2 | C2 | C1 | H1 | 53.7° | 57.5° |
| C1 | O1 | C05 | C06 | 16.2° | 0.0° |
| C1 | O1 | C05 | C04 | 161.4° | 180.0° |
| O1 | C1 | C2 | H2 | 53.9° | 57.7° |
| C01 | C06 | C05 | H061 | 180.0° | 180.0° |
| C01 | C06 | C05 | O1 | 179.7° | 180.0° |
| C06 | C01 | C02 | H011 | 180.0° | 179.9° |
| C01 | C06 | C05 | C04 | 2.2° | 0.0° |
| C06 | C01 | C02 | C03 | 1.6° | 0.0° |
| C06 | C01 | C02 | H021 | 178.4° | 179.9° |
| C06 | C05 | O1 | C04 | 177.6° | 180.0° |
| C05 | C06 | C01 | C02 | 0.4° | 0.0° |
| C06 | C05 | C04 | C03 | 2.0° | 0.0° |
| C06 | C05 | C04 | N19 | 178.6° | 179.7° |
| C05 | C06 | C01 | H011 | 179.6° | 179.9° |
| O1 | C05 | C04 | C03 | 179.7° | 179.9° |
| O1 | C05 | C04 | N19 | 0.9° | 0.3° |
| O1 | C05 | C06 | H061 | 0.2° | 0.0° |
| C05 | O1 | C1 | H1 | 48.1° | 55.0° |
| C01 | C02 | C03 | H021 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 1.8° | 0.0° |
| C01 | C02 | C03 | C22 | 178.3° | 180.0° |
| C02 | C01 | C06 | H061 | 179.6° | 180.0° |
| C05 | C04 | C03 | C02 | 0.0° | 0.1° |
| C05 | C04 | C03 | N19 | 179.3° | 179.7° |
| C05 | C04 | C03 | C22 | 179.9° | 180.0° |
| C05 | C04 | N19 | C20 | 179.9° | 179.7° |
| C04 | C05 | C06 | H061 | 177.8° | 180.0° |
| C02 | C03 | C04 | C22 | 179.9° | 180.0° |
| C02 | C03 | C04 | N19 | 179.4° | 179.7° |
| C02 | C03 | C22 | C21 | 179.6° | 180.0° |
| C02 | C03 | C22 | H221 | 0.4° | 0.0° |
| C03 | C02 | C01 | H011 | 178.4° | 179.9° |
| C03 | C04 | N19 | C20 | 0.7° | 0.6° |
| C04 | C03 | C22 | C21 | 0.3° | 0.0° |
| C04 | C03 | C22 | H221 | 179.7° | 180.0° |
| C04 | C03 | C02 | H021 | 178.2° | 180.0° |
| N19 | C04 | C03 | C22 | 0.5° | 0.3° |
| C04 | N19 | C20 | C21 | 0.6° | 0.6° |
| C04 | N19 | C20 | H201 | 179.4° | 179.7° |
| C03 | C22 | C21 | H221 | 180.0° | 180.0° |
| C03 | C22 | C21 | C20 | 0.2° | 0.0° |
| C03 | C22 | C21 | H211 | 179.8° | 179.9° |
| C22 | C03 | C02 | H021 | 1.7° | 0.1° |
| N19 | C20 | C21 | C22 | 0.4° | 0.3° |
| N19 | C20 | C21 | H201 | 180.0° | 179.7° |
| N19 | C20 | C21 | H211 | 179.6° | 179.8° |
| C22 | C21 | C20 | H211 | 180.0° | 179.9° |
| C22 | C21 | C20 | H201 | 179.6° | 180.0° |
| C20 | C21 | C22 | H221 | 179.8° | 180.0° |
| H3 | C3 | C2 | H2 | 176.9° | 177.2° |
| H3 | C3 | C4 | H4 | 55.0° | 57.0° |
| H3 | C3 | O3 | HO3 | 59.7° | 60.2° |
| H201 | C20 | C21 | H211 | 0.4° | 0.1° |
| H211 | C21 | C22 | H221 | 0.2° | 0.1° |
| H011 | C01 | C02 | H021 | 1.6° | 0.0° |
| H011 | C01 | C06 | H061 | 0.4° | 0.1° |
| H1 | C1 | C2 | H2 | 175.4° | 177.7° |
| H2 | C2 | O2 | HO2 | 60.3° | 59.9° |
| H4 | C4 | C5 | H5 | 57.6° | 57.5° |
| H4 | C4 | O4 | HO4 | 58.5° | 59.8° |
| H5 | C5 | C6 | H61 | 73.3° | 65.0° |
| H5 | C5 | C6 | H62 | 46.2° | 175.0° |
| H61 | C6 | O6 | HO6 | 59.7° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.7° | 60.0° |
