Obsolete: LBT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| C3 | C2 | sing | 1.53Å | 1.49Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C5 | O5 | sing | 1.43Å | 1.41Å | |
| O2 | C2 | sing | 1.43Å | 1.44Å | |
| C6 | O6 | sing | 1.43Å | 1.41Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | O5 | sing | 1.43Å | 1.45Å | |
| C1 | O1 | sing | 1.43Å | 1.38Å | |
| O6' | C6' | sing | 1.43Å | 1.40Å | |
| C6' | C5' | sing | 1.53Å | 1.52Å | |
| O1 | C4' | sing | 1.43Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | C3' | sing | 1.53Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| O5' | C1' | sing | 1.43Å | 1.47Å | |
| O3' | C3' | sing | 1.43Å | 1.46Å | |
| C3' | C2' | sing | 1.53Å | 1.48Å | |
| C2' | C1' | sing | 1.53Å | 1.51Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C1' | O1' | sing | 1.43Å | 1.38Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6C2 | sing | 1.09Å | 1.10Å | |
| C6 | H6C1 | sing | 1.09Å | 1.10Å | |
| O2 | HA | sing | 0.97Å | 0.95Å | |
| O3 | HB | sing | 0.97Å | 0.95Å | |
| O4 | HC | sing | 0.97Å | 0.95Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C6' | H6'2 | sing | 1.09Å | 1.10Å | |
| C6' | H6'1 | sing | 1.09Å | 1.10Å | |
| O1' | HD | sing | 0.97Å | 0.95Å | |
| O2' | HE | sing | 0.97Å | 0.95Å | |
| O3' | HF | sing | 0.97Å | 0.95Å | |
| O6' | H6' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 110.0° | 109.6° |
| O3 | C3 | C2 | 108.3° | 109.6° |
| O3 | C3 | H3 | 108.8° | 109.6° |
| C3 | O3 | HB | 109.5° | 114.0° |
| C4 | C3 | C2 | 112.8° | 109.0° |
| C3 | C4 | O4 | 109.4° | 109.5° |
| C3 | C4 | C5 | 111.4° | 109.2° |
| C4 | C3 | H3 | 108.5° | 109.5° |
| C3 | C4 | H4 | 110.3° | 109.5° |
| C3 | C2 | O2 | 111.3° | 109.6° |
| C3 | C2 | C1 | 111.7° | 109.2° |
| C3 | C2 | H2 | 108.4° | 109.5° |
| C2 | C3 | H3 | 108.4° | 109.5° |
| O4 | C4 | C5 | 104.4° | 109.5° |
| O4 | C4 | H4 | 111.3° | 109.5° |
| C4 | O4 | HC | 109.5° | 114.0° |
| C4 | C5 | C6 | 118.4° | 109.5° |
| C4 | C5 | O5 | 114.6° | 109.4° |
| C5 | C4 | H4 | 109.9° | 109.6° |
| C4 | C5 | H5 | 101.2° | 109.5° |
| C6 | C5 | O5 | 115.4° | 109.5° |
| C5 | C6 | O6 | 112.5° | 109.5° |
| C6 | C5 | H5 | 101.3° | 109.5° |
| C5 | C6 | H6C2 | 108.7° | 109.5° |
| C5 | C6 | H6C1 | 108.7° | 109.5° |
| C5 | O5 | C1 | 115.2° | 114.1° |
| O5 | C5 | H5 | 102.0° | 109.5° |
| O2 | C2 | C1 | 108.4° | 109.5° |
| O2 | C2 | H2 | 109.0° | 109.5° |
| C2 | O2 | HA | 109.5° | 114.1° |
| O6 | C6 | H6C2 | 108.7° | 109.5° |
| O6 | C6 | H6C1 | 108.7° | 109.4° |
| C6 | O6 | H6 | 109.5° | 114.0° |
| C2 | C1 | O5 | 110.8° | 109.4° |
| C2 | C1 | O1 | 108.8° | 109.5° |
| C2 | C1 | H1 | 109.0° | 109.5° |
| C1 | C2 | H2 | 108.0° | 109.5° |
| O5 | C1 | O1 | 107.0° | 109.5° |
| O5 | C1 | H1 | 110.1° | 109.5° |
| C1 | O1 | C4' | 114.8° | 114.0° |
| O1 | C1 | H1 | 111.1° | 109.5° |
| O6' | C6' | C5' | 109.5° | 109.5° |
| O6' | C6' | H6'2 | 109.5° | 109.5° |
| O6' | C6' | H6'1 | 109.5° | 109.4° |
| C6' | O6' | H6' | 109.5° | 114.0° |
| C6' | C5' | C4' | 113.5° | 109.4° |
| C6' | C5' | O5' | 107.3° | 109.5° |
| C6' | C5' | H5' | 108.3° | 109.4° |
| C5' | C6' | H6'2 | 109.5° | 109.5° |
| C5' | C6' | H6'1 | 109.5° | 109.5° |
| O1 | C4' | C5' | 109.0° | 109.6° |
| O1 | C4' | C3' | 109.1° | 109.5° |
| O1 | C4' | H4' | 110.3° | 109.5° |
| C5' | C4' | C3' | 109.6° | 109.1° |
| C4' | C5' | O5' | 110.1° | 109.5° |
| C5' | C4' | H4' | 109.4° | 109.5° |
| C4' | C5' | H5' | 108.3° | 109.4° |
| C4' | C3' | O3' | 110.9° | 109.6° |
| C4' | C3' | C2' | 111.6° | 109.0° |
| C4' | C3' | H3' | 107.6° | 109.5° |
| C3' | C4' | H4' | 109.4° | 109.6° |
| C5' | O5' | C1' | 113.5° | 114.1° |
| O5' | C5' | H5' | 109.3° | 109.5° |
| O5' | C1' | C2' | 111.5° | 109.4° |
| O5' | C1' | O1' | 109.1° | 109.5° |
| O5' | C1' | H1' | 107.4° | 109.5° |
| O3' | C3' | C2' | 110.3° | 109.5° |
| O3' | C3' | H3' | 108.2° | 109.6° |
| C3' | O3' | HF | 109.5° | 114.0° |
| C3' | C2' | C1' | 112.3° | 109.1° |
| C3' | C2' | O2' | 110.2° | 109.5° |
| C3' | C2' | H2' | 108.4° | 109.6° |
| C2' | C3' | H3' | 108.0° | 109.6° |
| C1' | C2' | O2' | 108.8° | 109.5° |
| C2' | C1' | O1' | 113.3° | 109.5° |
| C2' | C1' | H1' | 106.9° | 109.4° |
| C1' | C2' | H2' | 108.1° | 109.5° |
| O2' | C2' | H2' | 109.0° | 109.5° |
| C2' | O2' | HE | 109.5° | 114.0° |
| O1' | C1' | H1' | 108.5° | 109.5° |
| C1' | O1' | HD | 109.5° | 114.0° |
| H6C2 | C6 | H6C1 | 109.5° | 109.4° |
| H6'2 | C6' | H6'1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C4 | C2 | 121.0° | 119.9° |
| O3 | C3 | C4 | H3 | 118.9° | 120.3° |
| O3 | C3 | C2 | H3 | 117.9° | 120.3° |
| O3 | C3 | C4 | O4 | 55.2° | 56.9° |
| O3 | C3 | C4 | C5 | 170.1° | 176.8° |
| O3 | C3 | C2 | O2 | 64.5° | 63.2° |
| O3 | C3 | C2 | C1 | 174.3° | 176.9° |
| O3 | C3 | C2 | H2 | 55.5° | 57.0° |
| O3 | C3 | C4 | H4 | 67.5° | 63.2° |
| C4 | C3 | C2 | H3 | 120.2° | 119.8° |
| C3 | C4 | O4 | C5 | 119.3° | 119.7° |
| C3 | C4 | O4 | H4 | 122.1° | 120.1° |
| C3 | C4 | C5 | H4 | 122.5° | 119.9° |
| C3 | C4 | C5 | C6 | 170.2° | 177.6° |
| C3 | C4 | C5 | O5 | 48.2° | 57.6° |
| C4 | C3 | C2 | O2 | 173.6° | 176.9° |
| C4 | C3 | C2 | C1 | 52.4° | 56.9° |
| C4 | C3 | C2 | H2 | 66.5° | 63.0° |
| C3 | C4 | C5 | H5 | 60.7° | 62.4° |
| C4 | C3 | O3 | HB | 180.0° | 180.0° |
| C3 | C4 | O4 | HC | 180.0° | 60.0° |
| C2 | C3 | C4 | O4 | 65.8° | 63.0° |
| C2 | C3 | C4 | C5 | 49.2° | 56.9° |
| C3 | C2 | O2 | C1 | 123.2° | 119.8° |
| C3 | C2 | O2 | H2 | 119.6° | 120.1° |
| C3 | C2 | C1 | H2 | 119.1° | 119.9° |
| C3 | C2 | C1 | O5 | 52.4° | 57.6° |
| C3 | C2 | C1 | O1 | 169.8° | 177.6° |
| C3 | C2 | C1 | H1 | 68.9° | 62.4° |
| C2 | C3 | C4 | H4 | 171.5° | 176.9° |
| C3 | C2 | O2 | HA | 180.0° | 179.8° |
| C2 | C3 | O3 | HB | 56.4° | 60.4° |
| O4 | C4 | C5 | H4 | 119.5° | 120.2° |
| O4 | C4 | C5 | C6 | 71.8° | 57.7° |
| O4 | C4 | C5 | O5 | 69.8° | 62.3° |
| O4 | C4 | C3 | H3 | 174.1° | 177.2° |
| O4 | C4 | C5 | H5 | 178.7° | 177.7° |
| C4 | C5 | C6 | O5 | 141.2° | 119.9° |
| C4 | C5 | C6 | H5 | 109.5° | 120.0° |
| C4 | C5 | O5 | H5 | 108.4° | 120.0° |
| C4 | C5 | C6 | O6 | 174.1° | 175.0° |
| C4 | C5 | O5 | C1 | 51.2° | 61.2° |
| C5 | C4 | C3 | H3 | 71.0° | 62.9° |
| C4 | C5 | C6 | H6C2 | 53.6° | 55.0° |
| C4 | C5 | C6 | H6C1 | 65.5° | 65.0° |
| C5 | C4 | O4 | HC | 60.7° | 179.7° |
| C6 | C5 | O5 | H5 | 108.8° | 120.1° |
| C5 | C6 | O6 | H6C2 | 120.5° | 120.0° |
| C5 | C6 | O6 | H6C1 | 120.5° | 120.0° |
| C6 | C5 | O5 | C1 | 166.0° | 178.9° |
| C6 | C5 | C4 | H4 | 47.7° | 62.5° |
| C5 | C6 | H6C2 | H6C1 | 118.6° | 120.0° |
| C5 | C6 | O6 | H6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 44.7° | 65.1° |
| C5 | O5 | C1 | C2 | 52.4° | 61.2° |
| C5 | O5 | C1 | O1 | 170.9° | 178.8° |
| C5 | O5 | C1 | H1 | 68.2° | 58.8° |
| O5 | C5 | C4 | H4 | 170.7° | 177.6° |
| O5 | C5 | C6 | H6C2 | 165.1° | 174.9° |
| O5 | C5 | C6 | H6C1 | 75.8° | 54.9° |
| O2 | C2 | C1 | H2 | 118.0° | 120.1° |
| O2 | C2 | C1 | O5 | 175.3° | 177.6° |
| O2 | C2 | C1 | O1 | 67.3° | 62.4° |
| O2 | C2 | C1 | H1 | 54.1° | 57.6° |
| O2 | C2 | C3 | H3 | 53.5° | 57.1° |
| O6 | C6 | C5 | H5 | 64.6° | 55.0° |
| O6 | C6 | H6C2 | H6C1 | 118.6° | 120.0° |
| C2 | C1 | O5 | O1 | 118.5° | 120.0° |
| C2 | C1 | O5 | H1 | 120.6° | 120.0° |
| C2 | C1 | O1 | H1 | 120.0° | 120.1° |
| C2 | C1 | O1 | C4' | 171.2° | 175.0° |
| C1 | C2 | C3 | H3 | 67.8° | 62.9° |
| C1 | C2 | O2 | HA | 56.8° | 60.0° |
| O5 | C1 | O1 | H1 | 120.2° | 120.0° |
| O5 | C1 | O1 | C4' | 69.1° | 65.0° |
| O5 | C1 | C2 | H2 | 66.7° | 62.3° |
| C1 | O5 | C5 | H5 | 57.2° | 58.8° |
| C1 | O1 | C4' | C5' | 105.5° | 150.0° |
| C1 | O1 | C4' | C3' | 134.8° | 90.4° |
| O1 | C1 | C2 | H2 | 50.7° | 57.7° |
| C1 | O1 | C4' | H4' | 14.6° | 29.9° |
| O6' | C6' | C5' | H6'2 | 120.0° | 120.0° |
| O6' | C6' | C5' | H6'1 | 120.0° | 119.9° |
| O6' | C6' | C5' | C4' | 57.8° | 175.0° |
| O6' | C6' | C5' | O5' | 64.0° | 65.0° |
| O6' | C6' | C5' | H5' | 178.1° | 55.1° |
| O6' | C6' | H6'2 | H6'1 | 120.0° | 120.0° |
| C6' | C5' | C4' | O1 | 62.4° | 62.5° |
| C6' | C5' | C4' | O5' | 120.3° | 120.0° |
| C6' | C5' | C4' | H5' | 120.3° | 119.9° |
| C6' | C5' | C4' | C3' | 178.3° | 177.6° |
| C6' | C5' | O5' | H5' | 117.2° | 120.0° |
| C6' | C5' | O5' | C1' | 177.7° | 178.8° |
| C6' | C5' | C4' | H4' | 58.3° | 57.7° |
| C5' | C6' | H6'2 | H6'1 | 120.0° | 120.0° |
| C5' | C6' | O6' | H6' | 180.0° | 180.0° |
| O1 | C4' | C5' | C3' | 119.3° | 119.9° |
| O1 | C4' | C5' | H4' | 120.7° | 120.2° |
| O1 | C4' | C3' | H4' | 120.8° | 120.2° |
| O1 | C4' | C5' | O5' | 177.4° | 177.5° |
| O1 | C4' | C3' | O3' | 61.5° | 63.2° |
| O1 | C4' | C3' | C2' | 175.0° | 176.9° |
| C4' | O1 | C1 | H1 | 51.1° | 55.0° |
| O1 | C4' | C3' | H3' | 56.7° | 57.0° |
| O1 | C4' | C5' | H5' | 57.9° | 57.4° |
| C5' | C4' | C3' | H4' | 119.9° | 119.9° |
| C4' | C5' | O5' | H5' | 118.8° | 120.0° |
| C4' | C5' | O5' | C1' | 58.3° | 61.2° |
| C5' | C4' | C3' | O3' | 179.2° | 176.9° |
| C5' | C4' | C3' | C2' | 55.7° | 57.0° |
| C5' | C4' | C3' | H3' | 62.6° | 62.9° |
| C4' | C5' | C6' | H6'2 | 62.2° | 55.0° |
| C4' | C5' | C6' | H6'1 | 177.8° | 65.1° |
| C3' | C4' | C5' | O5' | 58.1° | 57.6° |
| C4' | C3' | O3' | C2' | 124.3° | 119.6° |
| C4' | C3' | O3' | H3' | 117.8° | 120.2° |
| C4' | C3' | C2' | H3' | 118.1° | 119.9° |
| C4' | C3' | C2' | C1' | 52.1° | 57.0° |
| C4' | C3' | C2' | O2' | 173.6° | 176.9° |
| C4' | C3' | C2' | H2' | 67.2° | 62.9° |
| C3' | C4' | C5' | H5' | 61.4° | 62.5° |
| C4' | C3' | O3' | HF | 180.0° | 179.6° |
| C5' | O5' | C1' | C2' | 54.0° | 61.2° |
| C5' | O5' | C1' | O1' | 71.9° | 58.8° |
| C5' | O5' | C1' | H1' | 170.7° | 178.9° |
| O5' | C5' | C4' | H4' | 61.9° | 62.3° |
| O5' | C5' | C6' | H6'2 | 176.0° | 175.0° |
| O5' | C5' | C6' | H6'1 | 55.9° | 54.9° |
| O5' | C1' | C2' | C3' | 50.0° | 57.6° |
| O5' | C1' | C2' | O1' | 123.5° | 120.0° |
| O5' | C1' | C2' | H1' | 117.0° | 120.0° |
| O5' | C1' | C2' | O2' | 172.4° | 177.5° |
| O5' | C1' | O1' | H1' | 116.6° | 120.1° |
| O5' | C1' | C2' | H2' | 69.5° | 62.3° |
| C1' | O5' | C5' | H5' | 60.5° | 58.8° |
| O5' | C1' | O1' | HD | 180.0° | 60.0° |
| O3' | C3' | C2' | H3' | 118.0° | 120.2° |
| O3' | C3' | C2' | C1' | 176.0° | 176.9° |
| O3' | C3' | C2' | O2' | 62.5° | 63.2° |
| O3' | C3' | C2' | H2' | 56.7° | 57.0° |
| O3' | C3' | C4' | H4' | 59.3° | 57.0° |
| C3' | C2' | C1' | O2' | 122.3° | 119.9° |
| C3' | C2' | C1' | H2' | 119.5° | 120.0° |
| C3' | C2' | O2' | H2' | 118.9° | 120.2° |
| C3' | C2' | C1' | O1' | 73.5° | 62.4° |
| C3' | C2' | C1' | H1' | 167.1° | 177.6° |
| C2' | C3' | C4' | H4' | 64.2° | 62.9° |
| C3' | C2' | O2' | HE | 180.0° | 179.7° |
| C2' | C3' | O3' | HF | 55.7° | 60.0° |
| C1' | C2' | O2' | H2' | 117.6° | 120.1° |
| C2' | C1' | O1' | H1' | 118.5° | 120.0° |
| C1' | C2' | C3' | H3' | 66.0° | 62.9° |
| C2' | C1' | O1' | HD | 55.2° | 180.0° |
| C1' | C2' | O2' | HE | 56.5° | 60.0° |
| O2' | C2' | C1' | O1' | 48.8° | 57.5° |
| O2' | C2' | C1' | H1' | 70.6° | 62.5° |
| O2' | C2' | C3' | H3' | 55.5° | 57.0° |
| O1' | C1' | C2' | H2' | 167.0° | 177.7° |
| H1 | C1 | C2 | H2 | 172.1° | 177.7° |
| H2 | C2 | C3 | H3 | 173.4° | 177.2° |
| H2 | C2 | O2 | HA | 60.5° | 60.1° |
| H3 | C3 | C4 | H4 | 51.4° | 57.1° |
| H3 | C3 | O3 | HB | 61.3° | 59.8° |
| H4 | C4 | C5 | H5 | 61.8° | 57.6° |
| H4 | C4 | O4 | HC | 57.8° | 60.1° |
| H5 | C5 | C6 | H6C2 | 55.8° | 65.0° |
| H5 | C5 | C6 | H6C1 | 174.9° | 175.0° |
| H6C2 | C6 | O6 | H6 | 59.5° | 60.0° |
| H6C1 | C6 | O6 | H6 | 59.5° | 60.0° |
| H1' | C1' | C2' | H2' | 47.6° | 57.7° |
| H1' | C1' | O1' | HD | 63.3° | 60.1° |
| H2' | C2' | C3' | H3' | 174.7° | 177.2° |
| H2' | C2' | O2' | HE | 61.1° | 60.1° |
| H3' | C3' | C4' | H4' | 177.4° | 177.2° |
| H3' | C3' | O3' | HF | 62.2° | 60.2° |
| H4' | C4' | C5' | H5' | 178.6° | 177.6° |
| H5' | C5' | C6' | H6'2 | 58.1° | 65.0° |
| H5' | C5' | C6' | H6'1 | 61.9° | 175.0° |
| H6'2 | C6' | O6' | H6' | 60.0° | 60.0° |
| H6'1 | C6' | O6' | H6' | 60.0° | 60.0° |
