B7G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C4 | sing | 1.53Å | 1.57Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| O5 | C1 | sing | 1.42Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.43Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.41Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| O1 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C13 | H133 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C5 | C4 | 110.8° | 109.8° |
| O5 | C5 | C6 | 105.8° | 109.5° |
| O5 | C5 | H5 | 111.9° | 109.3° |
| C5 | O5 | C1 | 115.9° | 107.7° |
| C4 | C5 | C6 | 112.0° | 109.4° |
| C4 | C5 | H5 | 105.8° | 109.3° |
| C5 | C4 | C3 | 110.9° | 109.1° |
| C5 | C4 | O4 | 110.8° | 109.6° |
| C5 | C4 | H4 | 107.1° | 109.5° |
| C6 | C5 | H5 | 110.7° | 109.4° |
| C5 | C6 | O6 | 111.4° | 109.5° |
| C5 | C6 | H61 | 111.5° | 109.5° |
| C5 | C6 | H62 | 111.5° | 109.5° |
| O5 | C1 | C2 | 111.2° | 109.8° |
| O5 | C1 | O1 | 109.8° | 109.4° |
| O5 | C1 | H1 | 109.4° | 109.4° |
| C2 | C1 | O1 | 113.1° | 109.5° |
| C2 | C1 | H1 | 105.9° | 109.4° |
| C1 | C2 | C3 | 106.2° | 109.0° |
| C1 | C2 | O2 | 109.8° | 109.6° |
| C1 | C2 | H2 | 112.7° | 109.6° |
| O1 | C1 | H1 | 107.3° | 109.4° |
| C1 | O1 | C7 | 112.5° | 106.8° |
| C3 | C2 | O2 | 113.1° | 109.6° |
| C3 | C2 | H2 | 109.4° | 109.5° |
| C2 | C3 | C4 | 109.1° | 108.6° |
| C2 | C3 | O3 | 114.1° | 109.8° |
| C2 | C3 | H3 | 106.4° | 109.6° |
| O2 | C2 | H2 | 105.7° | 109.5° |
| C2 | O2 | HO2 | 109.8° | 106.8° |
| C4 | C3 | O3 | 109.0° | 109.6° |
| C4 | C3 | H3 | 111.7° | 109.6° |
| C3 | C4 | O4 | 108.1° | 109.6° |
| C3 | C4 | H4 | 109.9° | 109.5° |
| O3 | C3 | H3 | 106.6° | 109.6° |
| C3 | O3 | HO3 | 114.1° | 106.8° |
| O4 | C4 | H4 | 110.1° | 109.5° |
| C4 | O4 | HO4 | 110.7° | 106.9° |
| O6 | C6 | H61 | 111.4° | 109.5° |
| O6 | C6 | H62 | 111.4° | 109.4° |
| C6 | O6 | HO6 | 111.5° | 106.9° |
| H61 | C6 | H62 | 98.9° | 109.4° |
| O1 | C7 | C8 | 113.5° | 109.5° |
| O1 | C7 | H71 | 110.8° | 109.5° |
| O1 | C7 | H72 | 110.7° | 109.5° |
| C8 | C7 | H71 | 110.7° | 109.5° |
| C8 | C7 | H72 | 110.7° | 109.5° |
| C7 | C8 | C9 | 114.4° | 109.5° |
| C7 | C8 | H81 | 110.5° | 109.5° |
| C7 | C8 | H82 | 110.4° | 109.4° |
| H71 | C7 | H72 | 99.6° | 109.4° |
| C9 | C8 | H81 | 110.4° | 109.5° |
| C9 | C8 | H82 | 110.4° | 109.4° |
| C8 | C9 | C10 | 119.0° | 109.5° |
| C8 | C9 | H91 | 108.7° | 109.5° |
| C8 | C9 | H92 | 108.8° | 109.4° |
| H81 | C8 | H82 | 99.8° | 109.4° |
| C10 | C9 | H91 | 108.8° | 109.5° |
| C10 | C9 | H92 | 108.8° | 109.4° |
| C9 | C10 | C11 | 115.5° | 109.5° |
| C9 | C10 | H101 | 110.0° | 109.5° |
| C9 | C10 | H102 | 110.0° | 109.4° |
| H91 | C9 | H92 | 101.3° | 109.6° |
| C11 | C10 | H101 | 110.0° | 109.5° |
| C11 | C10 | H102 | 110.0° | 109.4° |
| C10 | C11 | C12 | 114.9° | 109.5° |
| C10 | C11 | H111 | 110.3° | 109.5° |
| C10 | C11 | H112 | 110.3° | 109.4° |
| H101 | C10 | H102 | 100.2° | 109.5° |
| C12 | C11 | H111 | 110.2° | 109.4° |
| C12 | C11 | H112 | 110.2° | 109.5° |
| C11 | C12 | C13 | 113.5° | 109.6° |
| C11 | C12 | H121 | 110.7° | 109.4° |
| C11 | C12 | H122 | 110.8° | 109.5° |
| H111 | C11 | H112 | 100.0° | 109.4° |
| C13 | C12 | H121 | 110.7° | 109.5° |
| C13 | C12 | H122 | 110.7° | 109.5° |
| C12 | C13 | H131 | 113.6° | 109.6° |
| C12 | C13 | H132 | 110.8° | 109.4° |
| C12 | C13 | H133 | 110.7° | 109.5° |
| H121 | C12 | H122 | 99.6° | 109.4° |
| H131 | C13 | H132 | 110.7° | 109.4° |
| H131 | C13 | H133 | 110.7° | 109.5° |
| H132 | C13 | H133 | 99.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C5 | C4 | C6 | 117.8° | 120.2° |
| O5 | C5 | C4 | H5 | 121.5° | 120.0° |
| O5 | C5 | C6 | H5 | 121.5° | 119.8° |
| C5 | O5 | C1 | C2 | 57.9° | 67.6° |
| C5 | O5 | C1 | O1 | 176.1° | 172.3° |
| C5 | O5 | C1 | H1 | 58.6° | 52.5° |
| O5 | C5 | C4 | C3 | 49.8° | 61.1° |
| O5 | C5 | C4 | O4 | 169.8° | 178.9° |
| O5 | C5 | C4 | H4 | 70.1° | 58.7° |
| O5 | C5 | C6 | O6 | 29.0° | 59.9° |
| O5 | C5 | C6 | H61 | 96.2° | 180.0° |
| O5 | C5 | C6 | H62 | 154.2° | 60.1° |
| C4 | C5 | C6 | H5 | 117.8° | 119.8° |
| C4 | C5 | O5 | C1 | 50.6° | 67.5° |
| C5 | C4 | C3 | C2 | 57.6° | 53.7° |
| C5 | C4 | C3 | O4 | 121.6° | 120.0° |
| C5 | C4 | C3 | H4 | 118.3° | 119.8° |
| C5 | C4 | C3 | O3 | 177.3° | 173.6° |
| C5 | C4 | C3 | H3 | 59.8° | 66.1° |
| C5 | C4 | O4 | H4 | 118.3° | 120.2° |
| C4 | C5 | C6 | O6 | 91.7° | 179.7° |
| C4 | C5 | C6 | H61 | 143.1° | 59.6° |
| C4 | C5 | C6 | H62 | 33.5° | 60.3° |
| C5 | C4 | O4 | HO4 | 180.0° | 179.9° |
| C6 | C5 | O5 | C1 | 172.1° | 172.3° |
| C6 | C5 | C4 | C3 | 167.6° | 178.7° |
| C6 | C5 | C4 | O4 | 72.4° | 58.7° |
| C6 | C5 | C4 | H4 | 47.6° | 61.5° |
| C5 | C6 | O6 | H61 | 125.2° | 120.1° |
| C5 | C6 | O6 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 117.4° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| H5 | C5 | O5 | C1 | 67.2° | 52.5° |
| H5 | C5 | C4 | C3 | 71.7° | 58.9° |
| H5 | C5 | C4 | O4 | 48.3° | 61.2° |
| H5 | C5 | C4 | H4 | 168.4° | 178.7° |
| H5 | C5 | C6 | O6 | 150.5° | 59.9° |
| H5 | C5 | C6 | H61 | 25.3° | 60.2° |
| H5 | C5 | C6 | H62 | 84.3° | 179.9° |
| O5 | C1 | C2 | O1 | 124.1° | 120.1° |
| O5 | C1 | C2 | H1 | 118.7° | 120.0° |
| O5 | C1 | O1 | H1 | 118.8° | 119.8° |
| O5 | C1 | C2 | C3 | 61.3° | 61.3° |
| O5 | C1 | C2 | O2 | 176.0° | 178.8° |
| O5 | C1 | C2 | H2 | 58.4° | 58.6° |
| O5 | C1 | O1 | C7 | 55.8° | 59.8° |
| C2 | C1 | O1 | H1 | 116.4° | 119.9° |
| C1 | C2 | C3 | O2 | 120.5° | 119.9° |
| C1 | C2 | C3 | H2 | 121.9° | 119.9° |
| C1 | C2 | O2 | H2 | 121.9° | 120.2° |
| C1 | C2 | C3 | C4 | 61.9° | 53.7° |
| C1 | C2 | C3 | O3 | 176.0° | 173.6° |
| C1 | C2 | C3 | H3 | 58.8° | 66.0° |
| C2 | C1 | O1 | C7 | 179.4° | 179.9° |
| C1 | C2 | O2 | HO2 | 179.9° | 60.4° |
| O1 | C1 | C2 | C3 | 174.6° | 178.6° |
| O1 | C1 | C2 | O2 | 52.0° | 58.7° |
| O1 | C1 | C2 | H2 | 65.6° | 61.5° |
| C1 | O1 | C7 | C8 | 174.0° | 180.0° |
| C1 | O1 | C7 | H71 | 60.8° | 60.0° |
| C1 | O1 | C7 | H72 | 48.7° | 60.0° |
| H1 | C1 | C2 | C3 | 57.4° | 58.8° |
| H1 | C1 | C2 | O2 | 65.2° | 61.2° |
| H1 | C1 | C2 | H2 | 177.2° | 178.6° |
| H1 | C1 | O1 | C7 | 63.0° | 60.0° |
| C3 | C2 | O2 | H2 | 119.7° | 120.2° |
| C2 | C3 | C4 | O3 | 125.2° | 120.0° |
| C2 | C3 | C4 | H3 | 117.3° | 119.7° |
| C2 | C3 | O3 | H3 | 117.1° | 120.4° |
| C2 | C3 | C4 | O4 | 179.2° | 173.7° |
| C2 | C3 | C4 | H4 | 60.7° | 66.2° |
| C3 | C2 | O2 | HO2 | 61.7° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.8° |
| O2 | C2 | C3 | C4 | 177.6° | 173.7° |
| O2 | C2 | C3 | O3 | 55.5° | 66.5° |
| O2 | C2 | C3 | H3 | 61.7° | 53.9° |
| H2 | C2 | C3 | C4 | 60.0° | 66.2° |
| H2 | C2 | C3 | O3 | 62.1° | 53.7° |
| H2 | C2 | C3 | H3 | 179.3° | 174.1° |
| H2 | C2 | O2 | HO2 | 58.1° | 59.8° |
| C4 | C3 | O3 | H3 | 120.7° | 120.3° |
| C3 | C4 | O4 | H4 | 120.0° | 120.1° |
| C4 | C3 | O3 | HO3 | 57.8° | 180.0° |
| C3 | C4 | O4 | HO4 | 58.3° | 60.4° |
| O3 | C3 | C4 | O4 | 55.7° | 66.4° |
| O3 | C3 | C4 | H4 | 64.5° | 53.8° |
| H3 | C3 | C4 | O4 | 61.8° | 53.9° |
| H3 | C3 | C4 | H4 | 178.0° | 174.1° |
| H3 | C3 | O3 | HO3 | 63.0° | 59.6° |
| H4 | C4 | O4 | HO4 | 61.7° | 59.7° |
| O6 | C6 | H61 | H62 | 117.3° | 119.9° |
| H61 | C6 | O6 | HO6 | 54.7° | 59.9° |
| H62 | C6 | O6 | HO6 | 54.8° | 60.0° |
| O1 | C7 | C8 | H71 | 125.3° | 120.0° |
| O1 | C7 | C8 | H72 | 125.2° | 120.0° |
| O1 | C7 | H71 | H72 | 116.6° | 120.0° |
| O1 | C7 | C8 | C9 | 167.9° | 180.0° |
| O1 | C7 | C8 | H81 | 42.7° | 59.9° |
| O1 | C7 | C8 | H82 | 66.8° | 60.0° |
| C8 | C7 | H71 | H72 | 116.6° | 120.0° |
| C7 | C8 | C9 | H81 | 125.3° | 120.1° |
| C7 | C8 | C9 | H82 | 125.3° | 119.9° |
| C7 | C8 | H81 | H82 | 116.3° | 119.9° |
| C7 | C8 | C9 | C10 | 71.2° | 180.0° |
| C7 | C8 | C9 | H91 | 163.6° | 60.0° |
| C7 | C8 | C9 | H92 | 54.1° | 60.1° |
| H71 | C7 | C8 | C9 | 66.8° | 59.9° |
| H71 | C7 | C8 | H81 | 168.0° | 180.0° |
| H71 | C7 | C8 | H82 | 58.5° | 60.0° |
| H72 | C7 | C8 | C9 | 42.7° | 60.0° |
| H72 | C7 | C8 | H81 | 82.6° | 60.1° |
| H72 | C7 | C8 | H82 | 168.0° | 180.0° |
| C9 | C8 | H81 | H82 | 116.2° | 120.0° |
| C8 | C9 | C10 | H91 | 125.2° | 120.0° |
| C8 | C9 | C10 | H92 | 125.3° | 119.8° |
| C8 | C9 | H91 | H92 | 114.5° | 119.9° |
| C8 | C9 | C10 | C11 | 77.5° | 180.0° |
| C8 | C9 | C10 | H101 | 157.3° | 59.9° |
| C8 | C9 | C10 | H102 | 47.8° | 60.1° |
| H81 | C8 | C9 | C10 | 54.1° | 59.9° |
| H81 | C8 | C9 | H91 | 71.1° | 179.9° |
| H81 | C8 | C9 | H92 | 179.4° | 60.0° |
| H82 | C8 | C9 | C10 | 163.5° | 60.1° |
| H82 | C8 | C9 | H91 | 38.3° | 59.9° |
| H82 | C8 | C9 | H92 | 71.2° | 180.0° |
| C10 | C9 | H91 | H92 | 114.5° | 120.0° |
| C9 | C10 | C11 | H101 | 125.3° | 120.1° |
| C9 | C10 | C11 | H102 | 125.3° | 119.9° |
| C9 | C10 | H101 | H102 | 115.9° | 119.9° |
| C9 | C10 | C11 | C12 | 170.0° | 179.9° |
| C9 | C10 | C11 | H111 | 44.7° | 59.9° |
| C9 | C10 | C11 | H112 | 64.7° | 60.0° |
| H91 | C9 | C10 | C11 | 47.8° | 60.0° |
| H91 | C9 | C10 | H101 | 77.5° | 179.9° |
| H91 | C9 | C10 | H102 | 173.0° | 60.0° |
| H92 | C9 | C10 | C11 | 157.2° | 60.1° |
| H92 | C9 | C10 | H101 | 32.0° | 60.0° |
| H92 | C9 | C10 | H102 | 77.5° | 179.9° |
| C11 | C10 | H101 | H102 | 115.8° | 120.0° |
| C10 | C11 | C12 | H111 | 125.3° | 120.0° |
| C10 | C11 | C12 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H112 | 116.1° | 119.9° |
| C10 | C11 | C12 | C13 | 173.8° | 180.0° |
| C10 | C11 | C12 | H121 | 48.6° | 59.9° |
| C10 | C11 | C12 | H122 | 60.9° | 60.0° |
| H101 | C10 | C11 | C12 | 64.8° | 60.0° |
| H101 | C10 | C11 | H111 | 170.0° | 180.0° |
| H101 | C10 | C11 | H112 | 60.5° | 60.1° |
| H102 | C10 | C11 | C12 | 44.7° | 60.0° |
| H102 | C10 | C11 | H111 | 80.6° | 60.0° |
| H102 | C10 | C11 | H112 | 170.0° | 179.9° |
| C12 | C11 | H111 | H112 | 116.0° | 120.0° |
| C11 | C12 | C13 | H121 | 125.3° | 120.0° |
| C11 | C12 | C13 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H122 | 116.6° | 119.9° |
| C11 | C12 | C13 | H131 | 180.0° | 179.9° |
| C11 | C12 | C13 | H132 | 54.7° | 59.9° |
| C11 | C12 | C13 | H133 | 54.8° | 60.0° |
| H111 | C11 | C12 | C13 | 60.9° | 60.0° |
| H111 | C11 | C12 | H121 | 173.9° | 180.0° |
| H111 | C11 | C12 | H122 | 64.4° | 60.1° |
| H112 | C11 | C12 | C13 | 48.5° | 60.0° |
| H112 | C11 | C12 | H121 | 76.7° | 60.1° |
| H112 | C11 | C12 | H122 | 173.8° | 180.0° |
| C13 | C12 | H121 | H122 | 116.5° | 120.0° |
| C12 | C13 | H131 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H133 | 125.3° | 120.1° |
| C12 | C13 | H132 | H133 | 116.6° | 119.9° |
| H121 | C12 | C13 | H131 | 54.7° | 59.9° |
| H121 | C12 | C13 | H132 | 180.0° | 60.1° |
| H121 | C12 | C13 | H133 | 70.5° | 180.0° |
| H122 | C12 | C13 | H131 | 54.8° | 60.0° |
| H122 | C12 | C13 | H132 | 70.6° | 180.0° |
| H122 | C12 | C13 | H133 | 180.0° | 60.1° |
| H131 | C13 | H132 | H133 | 116.5° | 120.0° |
