SUW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CX1 | O1A | doub | 1.22Å | 1.26Å | |
| CX1 | O1B | sing | 1.36Å | 1.27Å | |
| CX1 | CX2 | sing | 1.50Å | 1.52Å | |
| O1B | H1B | sing | 0.98Å | 0.95Å | |
| CX2 | OX2 | sing | 1.43Å | 1.40Å | |
| CX2 | CX3 | sing | 1.53Å | 1.53Å | |
| CX2 | OX6 | sing | 1.42Å | 1.43Å | |
| OX2 | CO2 | sing | 1.42Å | 69.83Å | |
| CO2 | HO21 | sing | 1.09Å | 1.11Å | |
| CO2 | HO22 | sing | 1.09Å | 1.11Å | |
| CO2 | HO23 | sing | 1.09Å | 1.11Å | |
| CX3 | CX4 | sing | 1.52Å | 1.54Å | |
| CX3 | HX31 | sing | 1.10Å | 1.10Å | |
| CX3 | HX32 | sing | 1.10Å | 1.10Å | |
| CX4 | OX4 | sing | 1.43Å | 1.42Å | |
| CX4 | CX5 | sing | 1.53Å | 1.54Å | |
| CX4 | HX4 | sing | 1.10Å | 1.10Å | |
| OX4 | HA | sing | 0.97Å | 0.99Å | |
| CX5 | NX5 | sing | 1.45Å | 1.45Å | |
| CX5 | CX6 | sing | 1.54Å | 1.54Å | |
| CX5 | HX5 | sing | 1.10Å | 1.10Å | |
| NX5 | C10 | sing | 1.38Å | 1.34Å | |
| NX5 | HB | sing | 1.02Å | 0.99Å | |
| C10 | O10 | doub | 1.23Å | 1.25Å | |
| C10 | C11 | sing | 1.49Å | 1.51Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.10Å | 1.10Å | |
| C11 | H113 | sing | 1.10Å | 1.10Å | |
| CX6 | OX6 | sing | 1.43Å | 1.46Å | |
| CX6 | CX7 | sing | 1.53Å | 1.50Å | |
| CX6 | HX6 | sing | 1.10Å | 1.10Å | |
| CX7 | OX7 | sing | 1.43Å | 1.41Å | |
| CX7 | CX8 | sing | 1.53Å | 1.53Å | |
| CX7 | HX7 | sing | 1.09Å | 1.10Å | |
| OX7 | HC | sing | 0.97Å | 0.99Å | |
| CX8 | OX8 | sing | 1.43Å | 1.43Å | |
| CX8 | CX9 | sing | 1.53Å | 1.56Å | |
| CX8 | HX8 | sing | 1.10Å | 1.10Å | |
| OX8 | HD | sing | 0.97Å | 0.99Å | |
| CX9 | NX6 | sing | 1.44Å | 1.46Å | |
| CX9 | HX91 | sing | 1.10Å | 1.10Å | |
| CX9 | HX92 | sing | 1.09Å | 1.10Å | |
| NX6 | C12 | sing | 1.39Å | 1.35Å | |
| NX6 | HE | sing | 1.02Å | 1.00Å | |
| C12 | O12 | doub | 1.23Å | 1.23Å | |
| C12 | C26 | sing | 1.49Å | 1.52Å | |
| C25 | C26 | doub | 1.38Å | 1.43Å | Aromatic |
| C25 | C2A | sing | 1.40Å | 1.42Å | Aromatic |
| C25 | H25 | sing | 1.09Å | 1.06Å | |
| C26 | C27 | sing | 1.38Å | 1.43Å | Aromatic |
| C27 | C28 | doub | 1.40Å | 1.42Å | Aromatic |
| C27 | H27 | sing | 1.09Å | 1.06Å | |
| C28 | C2B | sing | 1.40Å | 1.42Å | Aromatic |
| C28 | H28 | sing | 1.09Å | 1.06Å | |
| C2B | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| C2B | C2A | sing | 1.42Å | 1.45Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.42Å | Aromatic |
| C21 | H21 | sing | 1.09Å | 1.06Å | |
| C22 | C23 | doub | 1.39Å | 1.43Å | Aromatic |
| C22 | H22 | sing | 1.09Å | 1.06Å | |
| C23 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C23 | H23 | sing | 1.09Å | 1.06Å | |
| C24 | C2A | doub | 1.40Å | 1.42Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | CX1 | O1B | 124.2° | 124.3° |
| O1A | CX1 | CX2 | 117.8° | 125.0° |
| O1B | CX1 | CX2 | 118.0° | 110.7° |
| CX1 | O1B | H1B | 124.1° | 111.9° |
| CX1 | CX2 | OX2 | 102.4° | 104.2° |
| CX1 | CX2 | CX3 | 117.0° | 111.8° |
| CX1 | CX2 | OX6 | 110.2° | 112.6° |
| OX2 | CX2 | CX3 | 107.5° | 107.0° |
| OX2 | CX2 | OX6 | 104.1° | 110.0° |
| CX2 | OX2 | CO2 | 70.0° | 111.2° |
| CX3 | CX2 | OX6 | 114.1° | 110.9° |
| CX2 | CX3 | CX4 | 109.7° | 112.2° |
| CX2 | CX3 | HX31 | 109.4° | 111.2° |
| CX2 | CX3 | HX32 | 109.3° | 109.4° |
| CX2 | OX6 | CX6 | 114.0° | 114.9° |
| OX2 | CO2 | HO21 | 69.9° | 109.6° |
| OX2 | CO2 | HO22 | 129.5° | 109.5° |
| OX2 | CO2 | HO23 | 129.5° | 109.0° |
| HO21 | CO2 | HO22 | 129.5° | 110.1° |
| HO21 | CO2 | HO23 | 129.5° | 109.4° |
| HO22 | CO2 | HO23 | 78.0° | 109.3° |
| CX4 | CX3 | HX31 | 109.4° | 110.1° |
| CX4 | CX3 | HX32 | 109.3° | 108.9° |
| CX3 | CX4 | OX4 | 110.5° | 108.0° |
| CX3 | CX4 | CX5 | 113.5° | 110.7° |
| CX3 | CX4 | HX4 | 105.4° | 110.1° |
| HX31 | CX3 | HX32 | 109.7° | 104.8° |
| OX4 | CX4 | CX5 | 107.5° | 110.2° |
| OX4 | CX4 | HX4 | 111.6° | 107.3° |
| CX4 | OX4 | HA | 109.5° | 106.5° |
| CX5 | CX4 | HX4 | 108.5° | 110.6° |
| CX4 | CX5 | NX5 | 106.1° | 110.1° |
| CX4 | CX5 | CX6 | 108.1° | 110.6° |
| CX4 | CX5 | HX5 | 114.1° | 108.9° |
| NX5 | CX5 | CX6 | 113.8° | 111.1° |
| NX5 | CX5 | HX5 | 108.5° | 106.0° |
| CX5 | NX5 | C10 | 120.3° | 123.2° |
| CX5 | NX5 | HB | 119.8° | 118.4° |
| CX6 | CX5 | HX5 | 106.4° | 110.0° |
| CX5 | CX6 | OX6 | 110.2° | 111.0° |
| CX5 | CX6 | CX7 | 116.0° | 111.9° |
| CX5 | CX6 | HX6 | 103.8° | 110.6° |
| C10 | NX5 | HB | 119.9° | 118.5° |
| NX5 | C10 | O10 | 123.9° | 126.5° |
| NX5 | C10 | C11 | 117.5° | 114.0° |
| O10 | C10 | C11 | 118.7° | 119.5° |
| C10 | C11 | H111 | 109.5° | 112.5° |
| C10 | C11 | H112 | 109.4° | 112.4° |
| C10 | C11 | H113 | 109.5° | 115.3° |
| H111 | C11 | H112 | 109.5° | 105.3° |
| H111 | C11 | H113 | 109.5° | 105.2° |
| H112 | C11 | H113 | 109.5° | 105.2° |
| OX6 | CX6 | CX7 | 107.7° | 106.6° |
| OX6 | CX6 | HX6 | 112.7° | 108.9° |
| CX7 | CX6 | HX6 | 106.5° | 107.6° |
| CX6 | CX7 | OX7 | 107.8° | 107.9° |
| CX6 | CX7 | CX8 | 112.2° | 113.8° |
| CX6 | CX7 | HX7 | 107.8° | 109.6° |
| OX7 | CX7 | CX8 | 106.3° | 108.6° |
| OX7 | CX7 | HX7 | 113.6° | 106.2° |
| CX7 | OX7 | HC | 109.5° | 106.3° |
| CX8 | CX7 | HX7 | 109.2° | 110.6° |
| CX7 | CX8 | OX8 | 113.4° | 108.7° |
| CX7 | CX8 | CX9 | 107.9° | 115.4° |
| CX7 | CX8 | HX8 | 108.9° | 109.9° |
| OX8 | CX8 | CX9 | 112.3° | 107.7° |
| OX8 | CX8 | HX8 | 104.2° | 106.2° |
| CX8 | OX8 | HD | 109.5° | 106.2° |
| CX9 | CX8 | HX8 | 110.1° | 108.6° |
| CX8 | CX9 | NX6 | 112.0° | 113.0° |
| CX8 | CX9 | HX91 | 108.8° | 110.3° |
| CX8 | CX9 | HX92 | 108.0° | 111.3° |
| NX6 | CX9 | HX91 | 108.8° | 106.3° |
| NX6 | CX9 | HX92 | 108.0° | 107.5° |
| CX9 | NX6 | C12 | 122.7° | 122.7° |
| CX9 | NX6 | HE | 118.6° | 117.4° |
| HX91 | CX9 | HX92 | 111.2° | 108.2° |
| C12 | NX6 | HE | 118.6° | 119.9° |
| NX6 | C12 | O12 | 118.1° | 124.6° |
| NX6 | C12 | C26 | 121.8° | 116.1° |
| O12 | C12 | C26 | 120.1° | 119.3° |
| C12 | C26 | C25 | 119.4° | 118.9° |
| C12 | C26 | C27 | 122.0° | 118.8° |
| C26 | C25 | C2A | 121.2° | 119.5° |
| C26 | C25 | H25 | 119.4° | 120.5° |
| C25 | C26 | C27 | 118.6° | 122.3° |
| C2A | C25 | H25 | 119.4° | 119.9° |
| C25 | C2A | C2B | 119.4° | 119.3° |
| C25 | C2A | C24 | 121.1° | 121.4° |
| C26 | C27 | C28 | 121.0° | 118.9° |
| C26 | C27 | H27 | 119.5° | 121.8° |
| C28 | C27 | H27 | 119.5° | 119.3° |
| C27 | C28 | C2B | 120.6° | 120.7° |
| C27 | C28 | H28 | 119.7° | 118.8° |
| C2B | C28 | H28 | 119.7° | 120.5° |
| C28 | C2B | C21 | 120.9° | 121.5° |
| C28 | C2B | C2A | 119.1° | 119.3° |
| C21 | C2B | C2A | 120.0° | 119.2° |
| C2B | C21 | C22 | 119.8° | 120.8° |
| C2B | C21 | H21 | 120.1° | 120.5° |
| C2B | C2A | C24 | 119.4° | 119.3° |
| C22 | C21 | H21 | 120.1° | 118.7° |
| C21 | C22 | C23 | 120.4° | 120.0° |
| C21 | C22 | H22 | 119.8° | 120.0° |
| C23 | C22 | H22 | 119.8° | 120.0° |
| C22 | C23 | C24 | 120.3° | 120.0° |
| C22 | C23 | H23 | 119.9° | 120.0° |
| C24 | C23 | H23 | 119.8° | 120.0° |
| C23 | C24 | C2A | 120.1° | 120.7° |
| C23 | C24 | H24 | 119.9° | 118.8° |
| C2A | C24 | H24 | 120.0° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | CX1 | O1B | CX2 | 179.8° | 179.9° |
| O1A | CX1 | O1B | H1B | 180.0° | 0.0° |
| O1A | CX1 | CX2 | OX2 | 75.6° | 124.8° |
| O1A | CX1 | CX2 | CX3 | 41.6° | 120.0° |
| O1A | CX1 | CX2 | OX6 | 174.1° | 5.6° |
| O1B | CX1 | CX2 | OX2 | 104.2° | 55.1° |
| O1B | CX1 | CX2 | CX3 | 138.6° | 60.1° |
| O1B | CX1 | CX2 | OX6 | 6.1° | 174.3° |
| CX2 | CX1 | O1B | H1B | 0.2° | 179.9° |
| CX1 | CX2 | OX2 | CX3 | 123.8° | 118.6° |
| CX1 | CX2 | OX2 | OX6 | 114.8° | 120.9° |
| CX1 | CX2 | CX3 | OX6 | 130.7° | 126.6° |
| CX1 | CX2 | OX2 | CO2 | 48.9° | 60.1° |
| CX1 | CX2 | CX3 | CX4 | 82.2° | 73.6° |
| CX1 | CX2 | CX3 | HX31 | 157.7° | 50.1° |
| CX1 | CX2 | CX3 | HX32 | 37.6° | 165.4° |
| CX1 | CX2 | OX6 | CX6 | 78.2° | 68.4° |
| OX2 | CX2 | CX3 | OX6 | 114.9° | 119.9° |
| CX2 | OX2 | CO2 | HO21 | 180.0° | 107.0° |
| CX2 | OX2 | CO2 | HO22 | 54.7° | 132.2° |
| CX2 | OX2 | CO2 | HO23 | 54.7° | 12.7° |
| OX2 | CX2 | CX3 | CX4 | 163.4° | 172.9° |
| OX2 | CX2 | CX3 | HX31 | 43.3° | 63.4° |
| OX2 | CX2 | CX3 | HX32 | 76.8° | 51.9° |
| OX2 | CX2 | OX6 | CX6 | 172.6° | 175.9° |
| CX3 | CX2 | OX2 | CO2 | 74.9° | 178.7° |
| CX2 | CX3 | CX4 | HX31 | 120.0° | 124.4° |
| CX2 | CX3 | CX4 | HX32 | 119.9° | 121.2° |
| CX2 | CX3 | HX31 | HX32 | 119.9° | 118.1° |
| CX2 | CX3 | CX4 | OX4 | 170.0° | 171.1° |
| CX2 | CX3 | CX4 | CX5 | 49.2° | 50.5° |
| CX2 | CX3 | CX4 | HX4 | 69.4° | 72.0° |
| CX3 | CX2 | OX6 | CX6 | 55.8° | 57.8° |
| OX6 | CX2 | OX2 | CO2 | 163.7° | 60.8° |
| OX6 | CX2 | CX3 | CX4 | 48.5° | 52.9° |
| OX6 | CX2 | CX3 | HX31 | 71.5° | 176.7° |
| OX6 | CX2 | CX3 | HX32 | 168.4° | 68.0° |
| CX2 | OX6 | CX6 | CX5 | 59.9° | 58.7° |
| CX2 | OX6 | CX6 | CX7 | 172.7° | 179.1° |
| CX2 | OX6 | CX6 | HX6 | 55.6° | 63.3° |
| OX2 | CO2 | HO21 | HO22 | 125.3° | 120.4° |
| OX2 | CO2 | HO21 | HO23 | 125.3° | 119.4° |
| OX2 | CO2 | HO22 | HO23 | 132.0° | 119.3° |
| HO21 | CO2 | HO22 | HO23 | 132.0° | 120.1° |
| CX4 | CX3 | HX31 | HX32 | 119.9° | 117.0° |
| CX3 | CX4 | OX4 | CX5 | 124.3° | 121.0° |
| CX3 | CX4 | OX4 | HX4 | 116.9° | 118.6° |
| CX3 | CX4 | CX5 | HX4 | 116.7° | 122.2° |
| CX3 | CX4 | OX4 | HA | 116.9° | 14.7° |
| CX3 | CX4 | CX5 | NX5 | 176.5° | 173.7° |
| CX3 | CX4 | CX5 | CX6 | 54.1° | 50.5° |
| CX3 | CX4 | CX5 | HX5 | 64.1° | 70.5° |
| HX31 | CX3 | CX4 | OX4 | 49.9° | 64.4° |
| HX31 | CX3 | CX4 | CX5 | 70.9° | 174.9° |
| HX31 | CX3 | CX4 | HX4 | 170.6° | 52.4° |
| HX32 | CX3 | CX4 | OX4 | 70.2° | 49.9° |
| HX32 | CX3 | CX4 | CX5 | 169.0° | 70.8° |
| HX32 | CX3 | CX4 | HX4 | 50.5° | 166.7° |
| OX4 | CX4 | CX5 | HX4 | 120.8° | 118.4° |
| OX4 | CX4 | CX5 | NX5 | 61.0° | 67.0° |
| OX4 | CX4 | CX5 | CX6 | 176.6° | 169.8° |
| OX4 | CX4 | CX5 | HX5 | 58.4° | 48.8° |
| CX5 | CX4 | OX4 | HA | 118.8° | 106.3° |
| CX4 | CX5 | NX5 | CX6 | 118.7° | 122.9° |
| CX4 | CX5 | NX5 | HX5 | 123.0° | 117.6° |
| CX4 | CX5 | CX6 | HX5 | 123.0° | 120.4° |
| CX4 | CX5 | NX5 | C10 | 126.8° | 117.6° |
| CX4 | CX5 | NX5 | HB | 53.2° | 62.4° |
| CX4 | CX5 | CX6 | OX6 | 57.3° | 53.7° |
| CX4 | CX5 | CX6 | CX7 | 180.0° | 172.6° |
| CX4 | CX5 | CX6 | HX6 | 63.6° | 67.4° |
| HX4 | CX4 | OX4 | HA | 0.0° | 133.3° |
| HX4 | CX4 | CX5 | NX5 | 59.8° | 51.4° |
| HX4 | CX4 | CX5 | CX6 | 62.6° | 71.7° |
| HX4 | CX4 | CX5 | HX5 | 179.2° | 167.2° |
| NX5 | CX5 | CX6 | HX5 | 119.4° | 117.0° |
| CX5 | NX5 | C10 | HB | 180.0° | 180.0° |
| CX5 | NX5 | C10 | O10 | 7.9° | 0.0° |
| CX5 | NX5 | C10 | C11 | 171.7° | 179.9° |
| NX5 | CX5 | CX6 | OX6 | 174.9° | 176.3° |
| NX5 | CX5 | CX6 | CX7 | 62.5° | 64.8° |
| NX5 | CX5 | CX6 | HX6 | 53.9° | 55.2° |
| CX6 | CX5 | NX5 | C10 | 114.5° | 119.5° |
| CX6 | CX5 | NX5 | HB | 65.5° | 60.5° |
| CX5 | CX6 | OX6 | CX7 | 127.4° | 122.2° |
| CX5 | CX6 | OX6 | HX6 | 115.4° | 122.0° |
| CX5 | CX6 | CX7 | HX6 | 114.9° | 121.7° |
| CX5 | CX6 | CX7 | OX7 | 55.3° | 55.2° |
| CX5 | CX6 | CX7 | CX8 | 172.0° | 175.7° |
| CX5 | CX6 | CX7 | HX7 | 67.7° | 60.0° |
| HX5 | CX5 | NX5 | C10 | 3.8° | 0.0° |
| HX5 | CX5 | NX5 | HB | 176.2° | 180.0° |
| HX5 | CX5 | CX6 | OX6 | 65.7° | 66.7° |
| HX5 | CX5 | CX6 | CX7 | 57.0° | 52.2° |
| HX5 | CX5 | CX6 | HX6 | 173.4° | 172.2° |
| NX5 | C10 | O10 | C11 | 179.6° | 179.9° |
| NX5 | C10 | C11 | H111 | 13.6° | 120.8° |
| NX5 | C10 | C11 | H112 | 133.6° | 120.5° |
| NX5 | C10 | C11 | H113 | 106.4° | 0.1° |
| HB | NX5 | C10 | O10 | 172.1° | 180.0° |
| HB | NX5 | C10 | C11 | 8.3° | 0.1° |
| O10 | C10 | C11 | H111 | 166.0° | 59.3° |
| O10 | C10 | C11 | H112 | 46.1° | 59.4° |
| O10 | C10 | C11 | H113 | 74.0° | 179.9° |
| C10 | C11 | H111 | H112 | 120.0° | 122.8° |
| C10 | C11 | H111 | H113 | 120.0° | 126.3° |
| C10 | C11 | H112 | H113 | 120.0° | 126.3° |
| H111 | C11 | H112 | H113 | 120.0° | 110.9° |
| OX6 | CX6 | CX7 | HX6 | 121.1° | 116.7° |
| OX6 | CX6 | CX7 | OX7 | 68.7° | 66.4° |
| OX6 | CX6 | CX7 | CX8 | 48.0° | 54.1° |
| OX6 | CX6 | CX7 | HX7 | 168.4° | 178.4° |
| CX6 | CX7 | OX7 | CX8 | 120.5° | 123.7° |
| CX6 | CX7 | OX7 | HX7 | 119.4° | 117.4° |
| CX6 | CX7 | CX8 | HX7 | 119.5° | 123.8° |
| CX6 | CX7 | OX7 | HC | 76.2° | 171.8° |
| CX6 | CX7 | CX8 | OX8 | 47.7° | 55.7° |
| CX6 | CX7 | CX8 | CX9 | 172.8° | 176.8° |
| CX6 | CX7 | CX8 | HX8 | 67.8° | 60.1° |
| HX6 | CX6 | CX7 | OX7 | 170.2° | 176.9° |
| HX6 | CX6 | CX7 | CX8 | 73.1° | 62.6° |
| HX6 | CX6 | CX7 | HX7 | 47.2° | 61.7° |
| OX7 | CX7 | CX8 | HX7 | 122.9° | 116.1° |
| OX7 | CX7 | CX8 | OX8 | 165.3° | 175.8° |
| OX7 | CX7 | CX8 | CX9 | 69.6° | 63.1° |
| OX7 | CX7 | CX8 | HX8 | 49.8° | 60.0° |
| CX8 | CX7 | OX7 | HC | 44.3° | 48.1° |
| CX7 | CX8 | OX8 | CX9 | 122.7° | 125.6° |
| CX7 | CX8 | OX8 | HX8 | 118.2° | 118.1° |
| CX7 | CX8 | CX9 | HX8 | 118.7° | 123.8° |
| CX7 | CX8 | OX8 | HD | 16.5° | 69.2° |
| CX7 | CX8 | CX9 | NX6 | 171.1° | 61.3° |
| CX7 | CX8 | CX9 | HX91 | 50.7° | 179.9° |
| CX7 | CX8 | CX9 | HX92 | 70.1° | 59.8° |
| HX7 | CX7 | OX7 | HC | 164.4° | 70.8° |
| HX7 | CX7 | CX8 | OX8 | 71.8° | 68.1° |
| HX7 | CX7 | CX8 | CX9 | 53.3° | 53.0° |
| HX7 | CX7 | CX8 | HX8 | 172.7° | 176.2° |
| OX8 | CX8 | CX9 | HX8 | 115.6° | 114.6° |
| OX8 | CX8 | CX9 | NX6 | 63.2° | 60.3° |
| OX8 | CX8 | CX9 | HX91 | 176.4° | 58.5° |
| OX8 | CX8 | CX9 | HX92 | 55.6° | 178.6° |
| CX9 | CX8 | OX8 | HD | 106.2° | 165.2° |
| CX8 | CX9 | NX6 | HX91 | 120.4° | 121.1° |
| CX8 | CX9 | NX6 | HX92 | 118.8° | 123.2° |
| CX8 | CX9 | HX91 | HX92 | 118.8° | 121.9° |
| CX8 | CX9 | NX6 | C12 | 85.2° | 120.0° |
| CX8 | CX9 | NX6 | HE | 94.8° | 64.1° |
| HX8 | CX8 | OX8 | HD | 134.7° | 48.9° |
| HX8 | CX8 | CX9 | NX6 | 52.4° | 174.9° |
| HX8 | CX8 | CX9 | HX91 | 67.9° | 56.1° |
| HX8 | CX8 | CX9 | HX92 | 171.2° | 64.0° |
| NX6 | CX9 | HX91 | HX92 | 118.9° | 115.3° |
| CX9 | NX6 | C12 | HE | 180.0° | 175.8° |
| CX9 | NX6 | C12 | O12 | 24.9° | 0.0° |
| CX9 | NX6 | C12 | C26 | 155.6° | 178.8° |
| HX91 | CX9 | NX6 | C12 | 35.2° | 118.9° |
| HX91 | CX9 | NX6 | HE | 144.8° | 57.0° |
| HX92 | CX9 | NX6 | C12 | 156.0° | 3.1° |
| HX92 | CX9 | NX6 | HE | 24.0° | 172.7° |
| NX6 | C12 | O12 | C26 | 179.6° | 178.8° |
| NX6 | C12 | C26 | C25 | 0.5° | 153.0° |
| NX6 | C12 | C26 | C27 | 179.4° | 27.0° |
| HE | NX6 | C12 | O12 | 155.1° | 175.8° |
| HE | NX6 | C12 | C26 | 24.4° | 3.0° |
| O12 | C12 | C26 | C25 | 179.0° | 25.9° |
| O12 | C12 | C26 | C27 | 1.0° | 154.1° |
| C12 | C26 | C25 | C27 | 180.0° | 180.0° |
| C12 | C26 | C25 | C2A | 180.0° | 180.0° |
| C12 | C26 | C25 | H25 | 0.0° | 0.0° |
| C12 | C26 | C27 | C28 | 179.9° | 180.0° |
| C12 | C26 | C27 | H27 | 0.1° | 0.1° |
| C26 | C25 | C2A | H25 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.0° | 0.0° |
| C25 | C26 | C27 | H27 | 180.0° | 180.0° |
| C26 | C25 | C2A | C2B | 0.1° | 0.0° |
| C26 | C25 | C2A | C24 | 180.0° | 180.0° |
| C2A | C25 | C26 | C27 | 0.0° | 0.0° |
| C25 | C2A | C2B | C28 | 0.2° | 0.0° |
| C25 | C2A | C2B | C21 | 179.9° | 180.0° |
| C25 | C2A | C2B | C24 | 179.9° | 180.0° |
| C25 | C2A | C24 | C23 | 179.9° | 180.0° |
| C25 | C2A | C24 | H24 | 0.1° | 0.0° |
| H25 | C25 | C26 | C27 | 180.0° | 180.0° |
| H25 | C25 | C2A | C2B | 179.8° | 180.0° |
| H25 | C25 | C2A | C24 | 0.1° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C2B | 0.0° | 0.0° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| C27 | C28 | C2B | H28 | 180.0° | 180.0° |
| C27 | C28 | C2B | C21 | 179.9° | 180.0° |
| C27 | C28 | C2B | C2A | 0.1° | 0.0° |
| H27 | C27 | C28 | C2B | 180.0° | 180.0° |
| H27 | C27 | C28 | H28 | 0.0° | 0.1° |
| C28 | C2B | C21 | C2A | 179.9° | 180.0° |
| C28 | C2B | C21 | C22 | 179.9° | 180.0° |
| C28 | C2B | C21 | H21 | 0.1° | 0.0° |
| C28 | C2B | C2A | C24 | 179.9° | 180.0° |
| H28 | C28 | C2B | C21 | 0.0° | 0.0° |
| H28 | C28 | C2B | C2A | 179.9° | 180.0° |
| C2B | C21 | C22 | H21 | 180.0° | 179.9° |
| C2B | C21 | C22 | C23 | 0.0° | 0.1° |
| C2B | C21 | C22 | H22 | 180.0° | 180.0° |
| C21 | C2B | C2A | C24 | 0.0° | 0.1° |
| C2A | C2B | C21 | C22 | 0.0° | 0.1° |
| C2A | C2B | C21 | H21 | 180.0° | 180.0° |
| C2B | C2A | C24 | C23 | 0.0° | 0.0° |
| C2B | C2A | C24 | H24 | 180.0° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| H21 | C21 | C22 | C23 | 180.0° | 180.0° |
| H21 | C21 | C22 | H22 | 0.0° | 0.1° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C2A | 0.1° | 0.0° |
| C22 | C23 | C24 | H24 | 179.9° | 180.0° |
| H22 | C22 | C23 | C24 | 179.9° | 179.9° |
| H22 | C22 | C23 | H23 | 0.1° | 0.1° |
| C23 | C24 | C2A | H24 | 180.0° | 180.0° |
| H23 | C23 | C24 | C2A | 179.9° | 180.0° |
| H23 | C23 | C24 | H24 | 0.1° | 0.0° |
