QPU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1A | C2A | sing | 1.53Å | 1.55Å | |
| C1A | C7A | sing | 1.53Å | 1.54Å | |
| C1A | N4B | sing | 1.47Å | 1.47Å | |
| C2A | C3A | sing | 1.53Å | 1.54Å | |
| C2A | O2A | sing | 1.43Å | 1.42Å | |
| C3A | C4A | sing | 1.53Å | 1.54Å | |
| C3A | O3A | sing | 1.43Å | 1.43Å | |
| C4A | C5A | sing | 1.53Å | 1.54Å | |
| C4A | O4A | sing | 1.43Å | 1.43Å | |
| C5A | C6A | sing | 1.53Å | 1.52Å | |
| C5A | C7A | sing | 1.53Å | 1.55Å | |
| C7A | O6A | sing | 1.43Å | 1.42Å | |
| C1B | C2B | sing | 1.53Å | 1.53Å | |
| C1B | O5B | sing | 1.43Å | 1.45Å | |
| C1B | O4C | sing | 1.43Å | 1.42Å | |
| C2B | C3B | sing | 1.53Å | 1.53Å | |
| C2B | O2B | sing | 1.43Å | 1.42Å | |
| C3B | C4B | sing | 1.53Å | 1.53Å | |
| C3B | O3B | sing | 1.43Å | 1.42Å | |
| C4B | C5B | sing | 1.53Å | 1.56Å | |
| C4B | N4B | sing | 1.47Å | 1.48Å | |
| C5B | C6B | sing | 1.53Å | 1.52Å | |
| C5B | O5B | sing | 1.43Å | 1.46Å | |
| C1C | C2C | sing | 1.53Å | 1.54Å | |
| C1C | O5C | sing | 1.43Å | 1.45Å | |
| C2C | C3C | sing | 1.53Å | 1.54Å | |
| C2C | O2C | sing | 1.43Å | 1.43Å | |
| C3C | C4C | sing | 1.53Å | 1.54Å | |
| C3C | O3C | sing | 1.43Å | 1.42Å | |
| C4C | C5C | sing | 1.53Å | 1.56Å | |
| C4C | O4C | sing | 1.43Å | 1.47Å | |
| C5C | C6C | sing | 1.53Å | 1.53Å | |
| C5C | O5C | sing | 1.43Å | 1.47Å | |
| C6C | O6C | sing | 1.43Å | 1.41Å | |
| C1A | H1A | sing | 1.09Å | 1.10Å | |
| C2A | H2A | sing | 1.09Å | 1.10Å | |
| C3A | H3A | sing | 1.09Å | 1.10Å | |
| C4A | H4A | sing | 1.09Å | 1.10Å | |
| C5A | H5A | sing | 1.09Å | 1.10Å | |
| C6A | H6A | sing | 1.09Å | 1.10Å | |
| C6A | H6AA | sing | 1.09Å | 1.10Å | |
| C6A | H6AB | sing | 1.09Å | 1.10Å | |
| C7A | H7A | sing | 1.09Å | 1.10Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| O3A | HO3A | sing | 0.97Å | 0.95Å | |
| O4A | HO4A | sing | 0.97Å | 0.95Å | |
| O6A | HO6A | sing | 0.97Å | 0.95Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| C5B | H5B | sing | 1.09Å | 1.10Å | |
| C6B | H6B | sing | 1.09Å | 1.10Å | |
| C6B | H6BA | sing | 1.09Å | 1.10Å | |
| C6B | H6BB | sing | 1.09Å | 1.10Å | |
| N4B | HN4B | sing | 1.01Å | 1.00Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å | |
| O3B | HO3B | sing | 0.97Å | 0.95Å | |
| C1C | H1C | sing | 1.09Å | 1.10Å | |
| C1C | H1CA | sing | 1.09Å | 1.10Å | |
| C2C | H2C | sing | 1.09Å | 1.10Å | |
| C3C | H3C | sing | 1.09Å | 1.10Å | |
| C4C | H4C | sing | 1.09Å | 1.10Å | |
| C5C | H5C | sing | 1.09Å | 1.10Å | |
| C6C | H6C | sing | 1.09Å | 1.10Å | |
| C6C | H6CA | sing | 1.09Å | 1.10Å | |
| O2C | HO2C | sing | 0.97Å | 0.95Å | |
| O3C | HO3C | sing | 0.97Å | 0.95Å | |
| O6C | HO6C | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2A | C1A | C7A | 108.5° | 109.5° |
| C2A | C1A | N4B | 111.3° | 109.4° |
| C1A | C2A | C3A | 109.3° | 109.5° |
| C1A | C2A | O2A | 109.6° | 109.5° |
| C2A | C1A | H1A | 108.9° | 109.4° |
| C1A | C2A | H2A | 110.3° | 109.5° |
| C7A | C1A | N4B | 109.6° | 109.5° |
| C1A | C7A | C5A | 120.6° | 109.4° |
| C1A | C7A | O6A | 108.6° | 109.4° |
| C7A | C1A | H1A | 110.7° | 109.5° |
| C1A | C7A | H7A | 102.1° | 109.5° |
| C1A | N4B | C4B | 109.4° | 111.0° |
| N4B | C1A | H1A | 107.9° | 109.5° |
| C1A | N4B | HN4B | 109.5° | 111.0° |
| C3A | C2A | O2A | 111.9° | 109.5° |
| C2A | C3A | C4A | 107.5° | 109.5° |
| C2A | C3A | O3A | 111.8° | 109.5° |
| C3A | C2A | H2A | 107.9° | 109.5° |
| C2A | C3A | H3A | 109.2° | 109.5° |
| O2A | C2A | H2A | 107.7° | 109.4° |
| C2A | O2A | HO2A | 109.5° | 114.0° |
| C4A | C3A | O3A | 109.2° | 109.5° |
| C3A | C4A | C5A | 108.6° | 109.5° |
| C3A | C4A | O4A | 108.9° | 109.5° |
| C4A | C3A | H3A | 111.7° | 109.5° |
| C3A | C4A | H4A | 111.4° | 109.5° |
| O3A | C3A | H3A | 107.5° | 109.4° |
| C3A | O3A | HO3A | 109.5° | 114.0° |
| C5A | C4A | O4A | 112.3° | 109.5° |
| C4A | C5A | C6A | 119.9° | 109.5° |
| C4A | C5A | C7A | 120.8° | 109.5° |
| C5A | C4A | H4A | 108.0° | 109.5° |
| C4A | C5A | H5A | 53.4° | 109.5° |
| O4A | C4A | H4A | 107.7° | 109.4° |
| C4A | O4A | HO4A | 109.5° | 114.0° |
| C6A | C5A | C7A | 119.3° | 109.5° |
| C6A | C5A | H5A | 133.7° | 109.5° |
| C5A | C6A | H6A | 109.5° | 109.4° |
| C5A | C6A | H6AA | 109.4° | 109.5° |
| C5A | C6A | H6AB | 109.5° | 109.4° |
| C5A | C7A | O6A | 109.5° | 109.5° |
| C7A | C5A | H5A | 85.7° | 109.4° |
| C5A | C7A | H7A | 101.0° | 109.5° |
| O6A | C7A | H7A | 115.0° | 109.5° |
| C7A | O6A | HO6A | 109.5° | 114.0° |
| C2B | C1B | O5B | 109.5° | 109.4° |
| C2B | C1B | O4C | 109.5° | 109.5° |
| C1B | C2B | C3B | 110.8° | 109.2° |
| C1B | C2B | O2B | 109.0° | 109.5° |
| C2B | C1B | H1B | 110.3° | 109.5° |
| C1B | C2B | H2B | 109.4° | 109.5° |
| O5B | C1B | O4C | 112.1° | 109.4° |
| C1B | O5B | C5B | 114.9° | 114.1° |
| O5B | C1B | H1B | 107.7° | 109.5° |
| C1B | O4C | C4C | 116.3° | 114.0° |
| O4C | C1B | H1B | 107.7° | 109.5° |
| C3B | C2B | O2B | 111.0° | 109.5° |
| C2B | C3B | C4B | 108.6° | 109.0° |
| C2B | C3B | O3B | 109.2° | 109.5° |
| C3B | C2B | H2B | 107.3° | 109.6° |
| C2B | C3B | H3B | 110.4° | 109.5° |
| O2B | C2B | H2B | 109.2° | 109.5° |
| C2B | O2B | HO2B | 109.5° | 114.0° |
| C4B | C3B | O3B | 110.2° | 109.5° |
| C3B | C4B | C5B | 107.9° | 109.2° |
| C3B | C4B | N4B | 109.0° | 109.5° |
| C4B | C3B | H3B | 109.5° | 109.5° |
| C3B | C4B | H4B | 111.5° | 109.6° |
| O3B | C3B | H3B | 108.9° | 109.6° |
| C3B | O3B | HO3B | 109.5° | 114.0° |
| C5B | C4B | N4B | 111.5° | 109.5° |
| C4B | C5B | C6B | 111.5° | 109.5° |
| C4B | C5B | O5B | 109.5° | 109.4° |
| C5B | C4B | H4B | 109.0° | 109.5° |
| C4B | C5B | H5B | 107.9° | 109.5° |
| N4B | C4B | H4B | 108.0° | 109.5° |
| C4B | N4B | HN4B | 109.5° | 111.0° |
| C6B | C5B | O5B | 108.8° | 109.5° |
| C6B | C5B | H5B | 108.6° | 109.5° |
| C5B | C6B | H6B | 109.5° | 109.5° |
| C5B | C6B | H6BA | 109.5° | 109.4° |
| C5B | C6B | H6BB | 109.5° | 109.5° |
| O5B | C5B | H5B | 110.6° | 109.5° |
| C2C | C1C | O5C | 110.4° | 109.4° |
| C1C | C2C | C3C | 109.7° | 109.2° |
| C1C | C2C | O2C | 109.0° | 109.5° |
| C2C | C1C | H1C | 109.2° | 109.5° |
| C2C | C1C | H1CA | 109.0° | 109.5° |
| C1C | C2C | H2C | 110.0° | 109.6° |
| C1C | O5C | C5C | 114.5° | 114.1° |
| O5C | C1C | H1C | 109.2° | 109.5° |
| O5C | C1C | H1CA | 109.0° | 109.4° |
| C3C | C2C | O2C | 110.9° | 109.5° |
| C2C | C3C | C4C | 108.1° | 109.0° |
| C2C | C3C | O3C | 109.3° | 109.6° |
| C3C | C2C | H2C | 108.3° | 109.5° |
| C2C | C3C | H3C | 110.6° | 109.6° |
| O2C | C2C | H2C | 108.9° | 109.6° |
| C2C | O2C | HO2C | 109.5° | 114.0° |
| C4C | C3C | O3C | 109.9° | 109.5° |
| C3C | C4C | C5C | 108.5° | 109.2° |
| C3C | C4C | O4C | 110.5° | 109.5° |
| C4C | C3C | H3C | 110.1° | 109.5° |
| C3C | C4C | H4C | 109.6° | 109.6° |
| O3C | C3C | H3C | 108.8° | 109.6° |
| C3C | O3C | HO3C | 109.5° | 114.0° |
| C5C | C4C | O4C | 109.8° | 109.5° |
| C4C | C5C | C6C | 113.9° | 109.5° |
| C4C | C5C | O5C | 110.2° | 109.4° |
| C5C | C4C | H4C | 110.2° | 109.5° |
| C4C | C5C | H5C | 105.3° | 109.5° |
| O4C | C4C | H4C | 108.3° | 109.6° |
| C6C | C5C | O5C | 107.4° | 109.5° |
| C5C | C6C | O6C | 111.7° | 109.4° |
| C6C | C5C | H5C | 108.2° | 109.5° |
| C5C | C6C | H6C | 108.7° | 109.4° |
| C5C | C6C | H6CA | 108.2° | 109.4° |
| O5C | C5C | H5C | 112.0° | 109.5° |
| O6C | C6C | H6C | 108.7° | 109.5° |
| O6C | C6C | H6CA | 108.2° | 109.5° |
| C6C | O6C | HO6C | 109.5° | 114.0° |
| H6A | C6A | H6AA | 109.5° | 109.5° |
| H6A | C6A | H6AB | 109.5° | 109.5° |
| H6AA | C6A | H6AB | 109.5° | 109.5° |
| H6B | C6B | H6BA | 109.4° | 109.5° |
| H6B | C6B | H6BB | 109.4° | 109.5° |
| H6BA | C6B | H6BB | 109.5° | 109.4° |
| H1C | C1C | H1CA | 110.1° | 109.5° |
| H6C | C6C | H6CA | 111.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2A | C1A | C7A | N4B | 121.7° | 120.0° |
| C2A | C1A | C7A | H1A | 119.5° | 120.0° |
| C2A | C1A | N4B | H1A | 119.4° | 120.0° |
| C1A | C2A | C3A | O2A | 121.6° | 120.0° |
| C1A | C2A | C3A | H2A | 120.1° | 120.1° |
| C1A | C2A | O2A | H2A | 120.0° | 120.0° |
| C1A | C2A | C3A | C4A | 78.5° | 60.0° |
| C1A | C2A | C3A | O3A | 161.7° | 60.1° |
| C2A | C1A | C7A | C5A | 17.4° | 60.0° |
| C2A | C1A | C7A | O6A | 110.1° | 180.0° |
| C2A | C1A | N4B | C4B | 135.3° | 82.2° |
| C1A | C2A | C3A | H3A | 42.9° | 180.0° |
| C2A | C1A | C7A | H7A | 128.0° | 60.0° |
| C1A | C2A | O2A | HO2A | 66.8° | 180.0° |
| C2A | C1A | N4B | HN4B | 15.3° | 41.8° |
| C7A | C1A | N4B | H1A | 120.6° | 120.1° |
| C7A | C1A | C2A | C3A | 54.4° | 60.0° |
| C7A | C1A | C2A | O2A | 177.4° | 60.0° |
| C1A | C7A | C5A | C4A | 1.2° | 60.0° |
| C1A | C7A | C5A | C6A | 179.6° | 60.0° |
| C1A | C7A | C5A | O6A | 127.1° | 119.9° |
| C1A | C7A | C5A | H7A | 111.3° | 120.0° |
| C1A | C7A | O6A | H7A | 113.6° | 120.0° |
| C7A | C1A | N4B | C4B | 104.7° | 157.8° |
| C7A | C1A | C2A | H2A | 64.2° | 179.9° |
| C1A | C7A | C5A | H5A | 40.8° | 180.0° |
| C1A | C7A | O6A | HO6A | 31.3° | 180.0° |
| C7A | C1A | N4B | HN4B | 135.3° | 78.2° |
| N4B | C1A | C2A | C3A | 66.2° | 180.0° |
| N4B | C1A | C2A | O2A | 56.8° | 60.0° |
| N4B | C1A | C7A | C5A | 104.3° | 180.0° |
| N4B | C1A | C7A | O6A | 128.2° | 60.1° |
| C1A | N4B | C4B | C3B | 110.8° | 132.5° |
| C1A | N4B | C4B | C5B | 130.1° | 107.7° |
| C1A | N4B | C4B | HN4B | 120.0° | 124.0° |
| N4B | C1A | C2A | H2A | 175.2° | 60.0° |
| N4B | C1A | C7A | H7A | 6.4° | 60.0° |
| C1A | N4B | C4B | H4B | 10.5° | 12.4° |
| C3A | C2A | O2A | H2A | 118.5° | 120.0° |
| C2A | C3A | C4A | O3A | 121.5° | 120.0° |
| C2A | C3A | C4A | H3A | 119.8° | 120.0° |
| C2A | C3A | O3A | H3A | 119.8° | 120.0° |
| C2A | C3A | C4A | C5A | 56.7° | 60.0° |
| C2A | C3A | C4A | O4A | 179.2° | 60.0° |
| C3A | C2A | C1A | H1A | 175.0° | 60.0° |
| C2A | C3A | C4A | H4A | 62.2° | 180.0° |
| C3A | C2A | O2A | HO2A | 54.7° | 60.0° |
| C2A | C3A | O3A | HO3A | 23.6° | 180.0° |
| O2A | C2A | C3A | C4A | 159.9° | 60.0° |
| O2A | C2A | C3A | O3A | 40.1° | 180.0° |
| O2A | C2A | C1A | H1A | 62.0° | 180.0° |
| O2A | C2A | C3A | H3A | 78.7° | 60.0° |
| C4A | C3A | O3A | H3A | 121.4° | 120.0° |
| C3A | C4A | C5A | O4A | 120.4° | 120.0° |
| C3A | C4A | C5A | H4A | 121.0° | 120.0° |
| C3A | C4A | O4A | H4A | 121.0° | 120.0° |
| C3A | C4A | C5A | C6A | 160.2° | 60.0° |
| C3A | C4A | C5A | C7A | 20.6° | 60.0° |
| C4A | C3A | C2A | H2A | 41.6° | 180.0° |
| C3A | C4A | C5A | H5A | 35.8° | 180.0° |
| C4A | C3A | O3A | HO3A | 142.5° | 59.9° |
| C3A | C4A | O4A | HO4A | 59.6° | 60.0° |
| O3A | C3A | C4A | C5A | 178.1° | 60.1° |
| O3A | C3A | C4A | O4A | 59.3° | 179.9° |
| O3A | C3A | C2A | H2A | 78.3° | 60.0° |
| O3A | C3A | C4A | H4A | 59.3° | 60.0° |
| C5A | C4A | O4A | H4A | 118.8° | 120.0° |
| C4A | C5A | C6A | C7A | 179.2° | 120.0° |
| C4A | C5A | C6A | H5A | 66.2° | 120.0° |
| C4A | C5A | C7A | H5A | 42.1° | 120.0° |
| C4A | C5A | C7A | O6A | 125.8° | 180.0° |
| C5A | C4A | C3A | H3A | 63.1° | 180.0° |
| C4A | C5A | C6A | H6A | 84.5° | 70.9° |
| C4A | C5A | C6A | H6AA | 155.5° | 169.0° |
| C4A | C5A | C6A | H6AB | 35.5° | 49.0° |
| C4A | C5A | C7A | H7A | 112.5° | 59.9° |
| C5A | C4A | O4A | HO4A | 179.9° | 180.0° |
| O4A | C4A | C5A | C6A | 39.7° | 180.0° |
| O4A | C4A | C5A | C7A | 141.1° | 60.0° |
| O4A | C4A | C3A | H3A | 59.4° | 60.0° |
| O4A | C4A | C5A | H5A | 84.7° | 60.0° |
| C6A | C5A | C7A | H5A | 138.7° | 120.0° |
| C6A | C5A | C7A | O6A | 53.3° | 59.9° |
| C6A | C5A | C4A | H4A | 78.8° | 60.0° |
| C5A | C6A | H6A | H6AA | 120.0° | 120.0° |
| C5A | C6A | H6A | H6AB | 120.0° | 119.9° |
| C5A | C6A | H6AA | H6AB | 120.0° | 120.0° |
| C6A | C5A | C7A | H7A | 68.3° | 180.0° |
| C5A | C7A | O6A | H7A | 112.8° | 120.1° |
| C5A | C7A | C1A | H1A | 136.9° | 60.0° |
| C7A | C5A | C4A | H4A | 100.4° | 180.0° |
| C7A | C5A | C6A | H6A | 94.7° | 49.1° |
| C7A | C5A | C6A | H6AA | 25.3° | 70.9° |
| C7A | C5A | C6A | H6AB | 145.3° | 169.1° |
| C5A | C7A | O6A | HO6A | 102.3° | 60.1° |
| O6A | C7A | C1A | H1A | 9.4° | 60.0° |
| O6A | C7A | C5A | H5A | 167.9° | 60.0° |
| C2B | C1B | O5B | O4C | 121.8° | 120.0° |
| C2B | C1B | O5B | H1B | 120.0° | 120.0° |
| C2B | C1B | O4C | H1B | 120.0° | 120.1° |
| C1B | C2B | C3B | O2B | 121.3° | 119.9° |
| C1B | C2B | C3B | H2B | 119.4° | 120.0° |
| C1B | C2B | O2B | H2B | 119.5° | 120.1° |
| C1B | C2B | C3B | C4B | 59.1° | 57.0° |
| C1B | C2B | C3B | O3B | 179.3° | 176.9° |
| C2B | C1B | O5B | C5B | 56.7° | 61.1° |
| C2B | C1B | O4C | C4C | 129.7° | 167.3° |
| C1B | C2B | C3B | H3B | 61.0° | 62.9° |
| C1B | C2B | O2B | HO2B | 29.1° | 60.0° |
| O5B | C1B | O4C | H1B | 118.2° | 120.0° |
| O5B | C1B | C2B | C3B | 55.8° | 57.6° |
| O5B | C1B | C2B | O2B | 178.3° | 177.5° |
| C1B | O5B | C5B | C4B | 58.9° | 61.1° |
| C1B | O5B | C5B | C6B | 179.0° | 178.9° |
| O5B | C1B | O4C | C4C | 108.5° | 72.7° |
| O5B | C1B | C2B | H2B | 62.3° | 62.4° |
| C1B | O5B | C5B | H5B | 59.8° | 58.8° |
| O4C | C1B | C2B | C3B | 67.5° | 62.3° |
| O4C | C1B | C2B | O2B | 55.0° | 57.6° |
| O4C | C1B | O5B | C5B | 65.0° | 58.8° |
| C1B | O4C | C4C | C3C | 100.8° | 85.4° |
| C1B | O4C | C4C | C5C | 139.6° | 154.9° |
| O4C | C1B | C2B | H2B | 174.4° | 177.7° |
| C1B | O4C | C4C | H4C | 19.2° | 34.8° |
| C3B | C2B | O2B | H2B | 118.2° | 120.2° |
| C2B | C3B | C4B | O3B | 119.6° | 119.8° |
| C2B | C3B | C4B | H3B | 120.7° | 119.9° |
| C2B | C3B | O3B | H3B | 120.7° | 120.2° |
| C2B | C3B | C4B | C5B | 59.5° | 57.0° |
| C2B | C3B | C4B | N4B | 179.2° | 176.9° |
| C3B | C2B | C1B | H1B | 174.1° | 177.6° |
| C2B | C3B | C4B | H4B | 60.1° | 62.9° |
| C3B | C2B | O2B | HO2B | 93.3° | 179.7° |
| C2B | C3B | O3B | HO3B | 83.2° | 60.1° |
| O2B | C2B | C3B | C4B | 179.7° | 176.9° |
| O2B | C2B | C3B | O3B | 59.5° | 63.3° |
| O2B | C2B | C1B | H1B | 63.4° | 62.5° |
| O2B | C2B | C3B | H3B | 60.2° | 57.0° |
| C4B | C3B | O3B | H3B | 120.1° | 120.2° |
| C3B | C4B | C5B | N4B | 119.7° | 119.9° |
| C3B | C4B | C5B | H4B | 121.3° | 120.0° |
| C3B | C4B | N4B | H4B | 121.3° | 120.2° |
| C3B | C4B | C5B | C6B | 179.1° | 177.6° |
| C3B | C4B | C5B | O5B | 58.6° | 57.6° |
| C4B | C3B | C2B | H2B | 60.3° | 63.0° |
| C3B | C4B | C5B | H5B | 61.8° | 62.3° |
| C3B | C4B | N4B | HN4B | 9.2° | 8.6° |
| C4B | C3B | O3B | HO3B | 157.6° | 179.6° |
| O3B | C3B | C4B | C5B | 179.1° | 176.8° |
| O3B | C3B | C4B | N4B | 59.6° | 63.3° |
| O3B | C3B | C2B | H2B | 59.8° | 56.9° |
| O3B | C3B | C4B | H4B | 59.5° | 56.9° |
| C5B | C4B | N4B | H4B | 119.7° | 120.1° |
| C4B | C5B | C6B | O5B | 120.8° | 119.9° |
| C4B | C5B | C6B | H5B | 118.7° | 120.0° |
| C4B | C5B | O5B | H5B | 118.7° | 119.9° |
| C5B | C4B | C3B | H3B | 61.1° | 62.9° |
| C4B | C5B | C6B | H6B | 27.5° | 59.0° |
| C4B | C5B | C6B | H6BA | 147.5° | 179.0° |
| C4B | C5B | C6B | H6BB | 92.5° | 61.0° |
| C5B | C4B | N4B | HN4B | 109.9° | 128.3° |
| N4B | C4B | C5B | C6B | 61.3° | 62.5° |
| N4B | C4B | C5B | O5B | 178.3° | 177.5° |
| C4B | N4B | C1A | H1A | 15.9° | 37.8° |
| N4B | C4B | C3B | H3B | 60.1° | 57.1° |
| N4B | C4B | C5B | H5B | 57.9° | 57.6° |
| C6B | C5B | O5B | H5B | 119.2° | 120.1° |
| C6B | C5B | C4B | H4B | 57.8° | 57.6° |
| C5B | C6B | H6B | H6BA | 120.0° | 120.0° |
| C5B | C6B | H6B | H6BB | 120.0° | 120.0° |
| C5B | C6B | H6BA | H6BB | 120.0° | 119.9° |
| C5B | O5B | C1B | H1B | 176.7° | 178.8° |
| O5B | C5B | C4B | H4B | 62.6° | 62.4° |
| O5B | C5B | C6B | H6B | 93.3° | 60.9° |
| O5B | C5B | C6B | H6BA | 26.7° | 59.1° |
| O5B | C5B | C6B | H6BB | 146.7° | 179.0° |
| C2C | C1C | O5C | H1C | 120.0° | 120.0° |
| C2C | C1C | O5C | H1CA | 119.7° | 120.0° |
| C1C | C2C | C3C | O2C | 120.5° | 119.9° |
| C1C | C2C | C3C | H2C | 120.1° | 120.0° |
| C1C | C2C | O2C | H2C | 120.1° | 120.2° |
| C1C | C2C | C3C | C4C | 60.1° | 57.0° |
| C1C | C2C | C3C | O3C | 179.7° | 176.9° |
| C2C | C1C | O5C | C5C | 56.3° | 61.1° |
| C2C | C1C | H1C | H1CA | 119.6° | 120.1° |
| C1C | C2C | C3C | H3C | 60.5° | 62.8° |
| C1C | C2C | O2C | HO2C | 16.7° | 60.0° |
| O5C | C1C | C2C | C3C | 57.2° | 57.6° |
| O5C | C1C | C2C | O2C | 178.8° | 177.5° |
| C1C | O5C | C5C | C4C | 56.9° | 61.1° |
| C1C | O5C | C5C | C6C | 178.6° | 178.9° |
| O5C | C1C | H1C | H1CA | 119.6° | 120.0° |
| O5C | C1C | C2C | H2C | 61.8° | 62.3° |
| C1C | O5C | C5C | H5C | 59.9° | 58.9° |
| C3C | C2C | O2C | H2C | 119.0° | 120.1° |
| C2C | C3C | C4C | O3C | 119.2° | 119.9° |
| C2C | C3C | C4C | H3C | 120.9° | 119.9° |
| C2C | C3C | O3C | H3C | 120.9° | 120.3° |
| C2C | C3C | C4C | C5C | 60.0° | 57.0° |
| C2C | C3C | C4C | O4C | 179.6° | 176.9° |
| C3C | C2C | C1C | H1C | 177.2° | 177.6° |
| C3C | C2C | C1C | H1CA | 62.5° | 62.3° |
| C2C | C3C | C4C | H4C | 60.4° | 62.9° |
| C3C | C2C | O2C | HO2C | 137.6° | 179.7° |
| C2C | C3C | O3C | HO3C | 70.2° | 60.0° |
| O2C | C2C | C3C | C4C | 179.4° | 176.9° |
| O2C | C2C | C3C | O3C | 59.8° | 63.3° |
| O2C | C2C | C1C | H1C | 61.2° | 62.5° |
| O2C | C2C | C1C | H1CA | 59.1° | 57.5° |
| O2C | C2C | C3C | H3C | 60.0° | 57.0° |
| C4C | C3C | O3C | H3C | 120.6° | 120.2° |
| C3C | C4C | C5C | O4C | 120.8° | 119.9° |
| C3C | C4C | C5C | H4C | 120.0° | 119.9° |
| C3C | C4C | O4C | H4C | 120.0° | 120.2° |
| C3C | C4C | C5C | C6C | 178.3° | 177.6° |
| C3C | C4C | C5C | O5C | 57.7° | 57.6° |
| C4C | C3C | C2C | H2C | 60.0° | 63.0° |
| C3C | C4C | C5C | H5C | 63.3° | 62.4° |
| C4C | C3C | O3C | HO3C | 171.3° | 179.5° |
| O3C | C3C | C4C | C5C | 179.2° | 176.9° |
| O3C | C3C | C4C | O4C | 60.4° | 63.3° |
| O3C | C3C | C2C | H2C | 59.6° | 56.9° |
| O3C | C3C | C4C | H4C | 58.8° | 57.0° |
| C5C | C4C | O4C | H4C | 120.4° | 120.1° |
| C4C | C5C | C6C | O5C | 122.2° | 119.9° |
| C4C | C5C | C6C | H5C | 116.7° | 120.1° |
| C4C | C5C | O5C | H5C | 116.8° | 120.0° |
| C4C | C5C | C6C | O6C | 85.8° | 176.2° |
| C5C | C4C | C3C | H3C | 60.9° | 62.9° |
| C4C | C5C | C6C | H6C | 34.1° | 56.2° |
| C4C | C5C | C6C | H6CA | 155.1° | 63.8° |
| O4C | C4C | C5C | C6C | 60.8° | 62.5° |
| O4C | C4C | C5C | O5C | 178.5° | 177.5° |
| C4C | O4C | C1B | H1B | 9.7° | 47.2° |
| O4C | C4C | C3C | H3C | 59.5° | 57.0° |
| O4C | C4C | C5C | H5C | 57.5° | 57.5° |
| C6C | C5C | O5C | H5C | 118.7° | 120.0° |
| C5C | C6C | O6C | H6C | 120.0° | 120.0° |
| C5C | C6C | O6C | H6CA | 119.0° | 120.0° |
| C6C | C5C | C4C | H4C | 58.4° | 57.6° |
| C5C | C6C | H6C | H6CA | 119.1° | 119.9° |
| C5C | C6C | O6C | HO6C | 6.7° | 180.0° |
| O5C | C5C | C6C | O6C | 152.0° | 63.9° |
| C5C | O5C | C1C | H1C | 176.3° | 178.8° |
| C5C | O5C | C1C | H1CA | 63.3° | 58.8° |
| O5C | C5C | C4C | H4C | 62.3° | 62.3° |
| O5C | C5C | C6C | H6C | 88.1° | 176.1° |
| O5C | C5C | C6C | H6CA | 32.9° | 56.1° |
| O6C | C6C | C5C | H5C | 30.8° | 56.1° |
| O6C | C6C | H6C | H6CA | 119.1° | 120.1° |
| H1A | C1A | C2A | H2A | 56.4° | 60.0° |
| H1A | C1A | C7A | H7A | 112.5° | 180.0° |
| H1A | C1A | N4B | HN4B | 104.1° | 161.8° |
| H2A | C2A | C3A | H3A | 163.0° | 59.9° |
| H2A | C2A | O2A | HO2A | 173.2° | 60.0° |
| H3A | C3A | C4A | H4A | 178.0° | 59.9° |
| H3A | C3A | O3A | HO3A | 96.1° | 60.0° |
| H4A | C4A | C5A | H5A | 156.7° | 60.0° |
| H4A | C4A | O4A | HO4A | 61.4° | 60.0° |
| H5A | C5A | C6A | H6A | 150.8° | 169.0° |
| H5A | C5A | C6A | H6AA | 89.2° | 49.0° |
| H5A | C5A | C6A | H6AB | 30.7° | 71.0° |
| H5A | C5A | C7A | H7A | 70.4° | 60.1° |
| H6A | C6A | H6AA | H6AB | 120.0° | 120.0° |
| H7A | C7A | O6A | HO6A | 144.9° | 60.0° |
| H1B | C1B | C2B | H2B | 56.0° | 57.6° |
| H2B | C2B | C3B | H3B | 179.6° | 177.2° |
| H2B | C2B | O2B | HO2B | 148.6° | 60.1° |
| H3B | C3B | C4B | H4B | 179.2° | 177.2° |
| H3B | C3B | O3B | HO3B | 37.5° | 60.2° |
| H4B | C4B | C5B | H5B | 176.9° | 177.7° |
| H4B | C4B | N4B | HN4B | 130.5° | 111.6° |
| H5B | C5B | C6B | H6B | 146.2° | 179.1° |
| H5B | C5B | C6B | H6BA | 93.8° | 60.9° |
| H5B | C5B | C6B | H6BB | 26.2° | 59.0° |
| H6B | C6B | H6BA | H6BB | 119.9° | 120.1° |
| H1C | C1C | C2C | H2C | 58.2° | 57.7° |
| H1CA | C1C | C2C | H2C | 178.5° | 177.7° |
| H2C | C2C | C3C | H3C | 179.4° | 177.2° |
| H2C | C2C | O2C | HO2C | 103.4° | 60.2° |
| H3C | C3C | C4C | H4C | 178.7° | 177.2° |
| H3C | C3C | O3C | HO3C | 50.7° | 60.2° |
| H4C | C4C | C5C | H5C | 176.7° | 177.7° |
| H5C | C5C | C6C | H6C | 150.8° | 63.9° |
| H5C | C5C | C6C | H6CA | 88.2° | 176.2° |
| H6C | C6C | O6C | HO6C | 113.3° | 60.0° |
| H6CA | C6C | O6C | HO6C | 125.7° | 60.0° |
