HFU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | C25 | doub | 1.22Å | 1.19Å | |
| C02 | N01 | sing | 1.38Å | 1.36Å | |
| C02 | C03 | doub | 1.34Å | 1.42Å | |
| N01 | C06 | sing | 1.36Å | 1.39Å | |
| C28 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C27 | sing | 1.47Å | 1.54Å | |
| C25 | N14 | sing | 1.35Å | 1.51Å | |
| C12 | C03 | sing | 1.50Å | 1.54Å | |
| C12 | N14 | sing | 1.45Å | 1.45Å | |
| C29 | C30 | sing | 1.36Å | 1.40Å | Aromatic |
| C27 | C32 | doub | 1.42Å | 1.41Å | Aromatic |
| C03 | N04 | sing | 1.38Å | 1.36Å | |
| N14 | C15 | sing | 1.39Å | 1.49Å | |
| C06 | O10 | doub | 1.22Å | 1.19Å | |
| C06 | C05 | sing | 1.47Å | 1.46Å | |
| C30 | C31 | doub | 1.41Å | 1.43Å | Aromatic |
| C32 | C31 | sing | 1.42Å | 1.37Å | Aromatic |
| C32 | C36 | sing | 1.40Å | 1.43Å | Aromatic |
| C31 | C33 | sing | 1.41Å | 1.42Å | Aromatic |
| N04 | C05 | sing | 1.40Å | 1.36Å | Aromatic |
| N04 | C07 | sing | 1.35Å | 1.36Å | Aromatic |
| C36 | C35 | doub | 1.36Å | 1.38Å | Aromatic |
| C05 | C09 | doub | 1.37Å | 1.45Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.44Å | Aromatic |
| C15 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C33 | C34 | doub | 1.36Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | C13 | sing | 1.48Å | 1.47Å | |
| C07 | C08 | doub | 1.39Å | 1.46Å | Aromatic |
| C13 | C19 | doub | 1.40Å | 1.44Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.44Å | Aromatic |
| C09 | C11 | sing | 1.51Å | 1.54Å | |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C20 | sing | 1.51Å | 1.55Å | |
| O23 | S21 | doub | 1.42Å | 1.47Å | |
| O22 | S21 | doub | 1.42Å | 1.48Å | |
| C20 | S21 | sing | 1.81Å | 1.82Å | |
| S21 | C24 | sing | 1.81Å | 1.83Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | C25 | C27 | 112.3° | 120.0° |
| O26 | C25 | N14 | 118.9° | 120.0° |
| N01 | C02 | C03 | 116.4° | 124.0° |
| C02 | N01 | C06 | 120.8° | 121.5° |
| N01 | C02 | H1 | 121.8° | 118.1° |
| C02 | N01 | H2 | 119.6° | 119.2° |
| C02 | C03 | C12 | 106.0° | 117.6° |
| C02 | C03 | N04 | 125.5° | 118.1° |
| C03 | C02 | H1 | 121.8° | 118.0° |
| N01 | C06 | O10 | 120.1° | 122.2° |
| N01 | C06 | C05 | 120.3° | 115.5° |
| C06 | N01 | H2 | 119.6° | 119.3° |
| C29 | C28 | C27 | 120.2° | 120.6° |
| C28 | C29 | C30 | 119.7° | 121.2° |
| C29 | C28 | H281 | 119.9° | 119.7° |
| C28 | C29 | H291 | 120.2° | 119.3° |
| C28 | C27 | C25 | 122.8° | 120.4° |
| C28 | C27 | C32 | 120.2° | 119.2° |
| C27 | C28 | H281 | 119.9° | 119.6° |
| C27 | C25 | N14 | 128.7° | 120.0° |
| C25 | C27 | C32 | 116.9° | 120.4° |
| C25 | N14 | C12 | 109.3° | 117.8° |
| C25 | N14 | C15 | 126.7° | 117.7° |
| C03 | C12 | N14 | 112.2° | 113.3° |
| C12 | C03 | N04 | 128.5° | 124.3° |
| C03 | C12 | H121 | 108.8° | 108.7° |
| C03 | C12 | H122 | 108.8° | 108.7° |
| C12 | N14 | C15 | 123.9° | 124.5° |
| N14 | C12 | H121 | 108.8° | 108.7° |
| N14 | C12 | H122 | 108.8° | 108.7° |
| C29 | C30 | C31 | 119.1° | 120.1° |
| C30 | C29 | H291 | 120.2° | 119.4° |
| C29 | C30 | H301 | 120.4° | 120.0° |
| C27 | C32 | C31 | 119.8° | 119.3° |
| C27 | C32 | C36 | 118.0° | 121.3° |
| C03 | N04 | C05 | 118.2° | 120.3° |
| C03 | N04 | C07 | 129.5° | 131.7° |
| N14 | C15 | C16 | 119.0° | 115.3° |
| N14 | C15 | C13 | 121.5° | 126.1° |
| O10 | C06 | C05 | 119.6° | 122.3° |
| C06 | C05 | N04 | 118.8° | 120.6° |
| C06 | C05 | C09 | 133.2° | 130.7° |
| C30 | C31 | C32 | 120.9° | 119.5° |
| C30 | C31 | C33 | 120.8° | 121.2° |
| C31 | C30 | H301 | 120.5° | 119.9° |
| C31 | C32 | C36 | 122.2° | 119.5° |
| C32 | C31 | C33 | 118.3° | 119.3° |
| C32 | C36 | C35 | 118.9° | 119.7° |
| C32 | C36 | H361 | 120.5° | 120.2° |
| C31 | C33 | C34 | 119.9° | 119.6° |
| C31 | C33 | H331 | 120.1° | 120.2° |
| C05 | N04 | C07 | 112.2° | 108.0° |
| N04 | C05 | C09 | 108.1° | 108.7° |
| N04 | C07 | C13 | 127.7° | 128.1° |
| N04 | C07 | C08 | 107.0° | 108.4° |
| C36 | C35 | C34 | 119.4° | 120.9° |
| C36 | C35 | H351 | 120.3° | 119.5° |
| C35 | C36 | H361 | 120.5° | 120.1° |
| C05 | C09 | C08 | 105.8° | 107.0° |
| C05 | C09 | C11 | 125.8° | 126.5° |
| C16 | C15 | C13 | 119.3° | 118.4° |
| C15 | C16 | C17 | 120.0° | 120.6° |
| C15 | C16 | H161 | 120.0° | 119.7° |
| C15 | C13 | C07 | 128.8° | 121.2° |
| C15 | C13 | C19 | 120.0° | 120.7° |
| C16 | C17 | C18 | 120.5° | 120.5° |
| C16 | C17 | H171 | 119.8° | 119.7° |
| C17 | C16 | H161 | 120.0° | 119.8° |
| C33 | C34 | C35 | 121.3° | 120.9° |
| C34 | C33 | H331 | 120.0° | 120.2° |
| C33 | C34 | H341 | 119.3° | 119.5° |
| C35 | C34 | H341 | 119.3° | 119.5° |
| C34 | C35 | H351 | 120.3° | 119.5° |
| C13 | C07 | C08 | 125.0° | 123.5° |
| C07 | C13 | C19 | 110.6° | 117.8° |
| C07 | C08 | C09 | 106.9° | 108.0° |
| C07 | C08 | H081 | 126.6° | 126.0° |
| C13 | C19 | C18 | 119.8° | 120.0° |
| C13 | C19 | H191 | 120.1° | 120.0° |
| C08 | C09 | C11 | 128.4° | 126.5° |
| C09 | C08 | H081 | 126.5° | 126.0° |
| C09 | C11 | H111 | 109.5° | 109.4° |
| C09 | C11 | H113 | 109.5° | 109.5° |
| C09 | C11 | H112 | 109.5° | 109.5° |
| C17 | C18 | C19 | 120.1° | 119.6° |
| C17 | C18 | C20 | 120.3° | 120.2° |
| C18 | C17 | H171 | 119.7° | 119.7° |
| C19 | C18 | C20 | 119.5° | 120.2° |
| C18 | C19 | H191 | 120.1° | 120.0° |
| C18 | C20 | S21 | 111.0° | 109.5° |
| C18 | C20 | H201 | 109.1° | 109.5° |
| C18 | C20 | H202 | 109.1° | 109.4° |
| O23 | S21 | O22 | 101.5° | 119.2° |
| O23 | S21 | C20 | 112.1° | 108.6° |
| O23 | S21 | C24 | 112.1° | 108.6° |
| O22 | S21 | C20 | 110.3° | 108.6° |
| O22 | S21 | C24 | 112.4° | 108.6° |
| C20 | S21 | C24 | 108.4° | 101.9° |
| S21 | C20 | H201 | 109.1° | 109.5° |
| S21 | C20 | H202 | 109.1° | 109.5° |
| S21 | C24 | H242 | 109.5° | 109.4° |
| S21 | C24 | H241 | 109.4° | 109.4° |
| S21 | C24 | H243 | 109.5° | 109.4° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H113 | C11 | H112 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 108.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | C25 | C27 | C28 | 67.5° | 125.6° |
| O26 | C25 | C27 | N14 | 177.4° | 180.0° |
| O26 | C25 | N14 | C12 | 2.1° | 175.0° |
| O26 | C25 | C27 | C32 | 108.9° | 54.4° |
| O26 | C25 | N14 | C15 | 179.9° | 4.9° |
| N01 | C02 | C03 | H1 | 180.0° | 179.9° |
| C02 | N01 | C06 | H2 | 180.0° | 180.0° |
| N01 | C02 | C03 | C12 | 179.0° | 176.5° |
| N01 | C02 | C03 | N04 | 0.1° | 1.6° |
| C02 | N01 | C06 | O10 | 179.7° | 178.0° |
| C02 | N01 | C06 | C05 | 0.1° | 2.2° |
| C03 | C02 | N01 | C06 | 0.4° | 0.4° |
| C02 | C03 | C12 | N04 | 179.0° | 178.0° |
| C02 | C03 | C12 | N14 | 141.8° | 143.2° |
| C02 | C03 | N04 | C05 | 1.0° | 0.0° |
| C02 | C03 | N04 | C07 | 178.7° | 176.3° |
| C02 | C03 | C12 | H121 | 21.4° | 95.8° |
| C02 | C03 | C12 | H122 | 97.8° | 22.2° |
| C03 | C02 | N01 | H2 | 179.6° | 179.6° |
| N01 | C06 | O10 | C05 | 179.6° | 179.8° |
| N01 | C06 | C05 | N04 | 1.0° | 3.6° |
| N01 | C06 | C05 | C09 | 179.5° | 175.7° |
| C06 | N01 | C02 | H1 | 179.6° | 179.8° |
| C29 | C28 | C27 | H281 | 180.0° | 179.7° |
| C29 | C28 | C27 | C25 | 178.6° | 180.0° |
| C28 | C29 | C30 | H291 | 180.0° | 179.9° |
| C29 | C28 | C27 | C32 | 2.4° | 0.0° |
| C28 | C29 | C30 | C31 | 0.3° | 0.0° |
| C28 | C29 | C30 | H301 | 179.7° | 180.0° |
| C28 | C27 | C25 | C32 | 176.3° | 180.0° |
| C28 | C27 | C25 | N14 | 115.1° | 54.4° |
| C27 | C28 | C29 | C30 | 1.5° | 0.0° |
| C28 | C27 | C32 | C31 | 2.1° | 0.0° |
| C28 | C27 | C32 | C36 | 178.9° | 180.0° |
| C27 | C28 | C29 | H291 | 178.5° | 179.9° |
| C27 | C25 | N14 | C12 | 179.4° | 5.0° |
| C27 | C25 | N14 | C15 | 2.6° | 175.1° |
| C25 | C27 | C32 | C31 | 178.5° | 180.0° |
| C25 | C27 | C32 | C36 | 2.5° | 0.0° |
| C25 | C27 | C28 | H281 | 1.4° | 0.3° |
| C25 | N14 | C12 | C03 | 115.1° | 112.3° |
| C25 | N14 | C12 | C15 | 178.0° | 180.0° |
| N14 | C25 | C27 | C32 | 68.6° | 125.6° |
| C25 | N14 | C15 | C16 | 45.1° | 43.4° |
| C25 | N14 | C15 | C13 | 140.1° | 142.1° |
| C25 | N14 | C12 | H121 | 5.3° | 126.7° |
| C25 | N14 | C12 | H122 | 124.6° | 8.7° |
| C03 | C12 | N14 | H121 | 120.4° | 121.0° |
| C03 | C12 | N14 | H122 | 120.4° | 121.0° |
| C03 | C12 | N14 | C15 | 66.9° | 67.7° |
| C12 | C03 | N04 | C05 | 177.8° | 177.9° |
| C12 | C03 | N04 | C07 | 0.1° | 5.7° |
| C12 | C03 | C02 | H1 | 1.0° | 3.3° |
| C03 | C12 | H121 | H122 | 118.7° | 118.1° |
| N14 | C12 | C03 | N04 | 39.2° | 34.7° |
| C12 | N14 | C15 | C16 | 132.6° | 136.5° |
| C12 | N14 | C15 | C13 | 42.2° | 38.0° |
| N14 | C12 | H121 | H122 | 118.8° | 118.1° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.0° | 0.0° |
| C29 | C30 | C31 | C33 | 179.7° | 180.0° |
| C30 | C29 | C28 | H281 | 178.5° | 179.7° |
| C27 | C32 | C31 | C30 | 0.9° | 0.1° |
| C27 | C32 | C31 | C36 | 179.0° | 179.9° |
| C27 | C32 | C31 | C33 | 178.9° | 180.0° |
| C27 | C32 | C36 | C35 | 179.1° | 180.0° |
| C32 | C27 | C28 | H281 | 177.6° | 179.7° |
| C27 | C32 | C36 | H361 | 0.9° | 0.0° |
| C03 | N04 | C05 | C06 | 1.5° | 2.6° |
| C03 | N04 | C05 | C07 | 178.1° | 177.2° |
| C03 | N04 | C05 | C09 | 179.7° | 176.9° |
| C03 | N04 | C07 | C13 | 6.0° | 3.5° |
| C03 | N04 | C07 | C08 | 180.0° | 175.8° |
| N04 | C03 | C02 | H1 | 179.9° | 178.6° |
| N04 | C03 | C12 | H121 | 159.6° | 86.2° |
| N04 | C03 | C12 | H122 | 81.2° | 155.7° |
| N14 | C15 | C16 | C13 | 174.9° | 175.0° |
| N14 | C15 | C16 | C17 | 178.8° | 171.2° |
| N14 | C15 | C13 | C07 | 8.1° | 18.5° |
| N14 | C15 | C13 | C19 | 179.1° | 168.7° |
| C15 | N14 | C12 | H121 | 172.7° | 53.2° |
| C15 | N14 | C12 | H122 | 53.5° | 171.2° |
| N14 | C15 | C16 | H161 | 1.3° | 8.7° |
| O10 | C06 | C05 | N04 | 179.3° | 176.5° |
| O10 | C06 | C05 | C09 | 0.8° | 4.2° |
| O10 | C06 | N01 | H2 | 0.3° | 2.0° |
| C06 | C05 | N04 | C09 | 178.8° | 179.4° |
| C06 | C05 | N04 | C07 | 179.5° | 179.7° |
| C06 | C05 | C09 | C08 | 179.0° | 178.9° |
| C06 | C05 | C09 | C11 | 0.5° | 1.2° |
| C05 | C06 | N01 | H2 | 179.9° | 177.9° |
| C30 | C31 | C32 | C33 | 179.7° | 180.0° |
| C30 | C31 | C32 | C36 | 179.8° | 180.0° |
| C30 | C31 | C33 | C34 | 179.8° | 180.0° |
| C31 | C30 | C29 | H291 | 179.7° | 179.9° |
| C30 | C31 | C33 | H331 | 0.2° | 0.1° |
| C31 | C32 | C36 | C35 | 0.1° | 0.1° |
| C32 | C31 | C33 | C34 | 0.1° | 0.0° |
| C32 | C31 | C30 | H301 | 180.0° | 180.0° |
| C32 | C31 | C33 | H331 | 179.9° | 179.9° |
| C31 | C32 | C36 | H361 | 179.9° | 180.0° |
| C36 | C32 | C31 | C33 | 0.1° | 0.1° |
| C32 | C36 | C35 | H361 | 180.0° | 180.0° |
| C32 | C36 | C35 | C34 | 0.3° | 0.0° |
| C32 | C36 | C35 | H351 | 179.7° | 180.0° |
| C31 | C33 | C34 | H331 | 180.0° | 179.9° |
| C31 | C33 | C34 | C35 | 0.1° | 0.0° |
| C33 | C31 | C30 | H301 | 0.3° | 0.0° |
| C31 | C33 | C34 | H341 | 179.9° | 180.0° |
| C05 | N04 | C07 | C13 | 176.2° | 179.8° |
| C05 | N04 | C07 | C08 | 2.2° | 1.0° |
| N04 | C05 | C09 | C08 | 0.4° | 0.5° |
| N04 | C05 | C09 | C11 | 179.1° | 179.4° |
| C07 | N04 | C05 | C09 | 1.6° | 0.3° |
| N04 | C07 | C13 | C15 | 16.8° | 27.7° |
| N04 | C07 | C13 | C08 | 173.0° | 179.1° |
| N04 | C07 | C13 | C19 | 171.6° | 159.2° |
| N04 | C07 | C08 | C09 | 1.8° | 1.3° |
| N04 | C07 | C08 | H081 | 178.1° | 178.6° |
| C36 | C35 | C34 | C33 | 0.3° | 0.0° |
| C36 | C35 | C34 | H351 | 180.0° | 180.0° |
| C36 | C35 | C34 | H341 | 179.7° | 180.0° |
| C05 | C09 | C08 | C07 | 0.9° | 1.1° |
| C05 | C09 | C08 | C11 | 179.5° | 179.9° |
| C05 | C09 | C08 | H081 | 179.1° | 178.8° |
| C05 | C09 | C11 | H111 | 89.7° | 90.0° |
| C05 | C09 | C11 | H113 | 150.3° | 150.0° |
| C05 | C09 | C11 | H112 | 30.3° | 30.0° |
| C15 | C16 | C17 | H161 | 180.0° | 179.9° |
| C16 | C15 | C13 | C07 | 177.1° | 167.2° |
| C16 | C15 | C13 | C19 | 6.2° | 5.7° |
| C15 | C16 | C17 | C18 | 0.9° | 0.0° |
| C15 | C16 | C17 | H171 | 179.1° | 180.0° |
| C13 | C15 | C16 | C17 | 3.8° | 3.8° |
| C15 | C13 | C07 | C19 | 171.6° | 173.1° |
| C15 | C13 | C07 | C08 | 156.2° | 153.1° |
| C15 | C13 | C19 | C18 | 5.7° | 3.9° |
| C13 | C15 | C16 | H161 | 176.2° | 176.3° |
| C15 | C13 | C19 | H191 | 174.3° | 176.2° |
| C16 | C17 | C18 | H171 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.4° | 1.9° |
| C16 | C17 | C18 | C20 | 179.4° | 178.1° |
| C33 | C34 | C35 | H341 | 180.0° | 179.9° |
| C33 | C34 | C35 | H351 | 179.7° | 179.9° |
| C35 | C34 | C33 | H331 | 179.9° | 179.9° |
| C34 | C35 | C36 | H361 | 179.7° | 180.0° |
| C13 | C07 | C08 | C09 | 176.1° | 179.4° |
| C07 | C13 | C19 | C18 | 178.1° | 169.2° |
| C13 | C07 | C08 | H081 | 3.9° | 0.7° |
| C07 | C13 | C19 | H191 | 1.9° | 10.7° |
| C08 | C07 | C13 | C19 | 15.4° | 20.0° |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C07 | C08 | C09 | C11 | 179.6° | 178.9° |
| C13 | C19 | C18 | C17 | 2.7° | 0.0° |
| C13 | C19 | C18 | H191 | 180.0° | 179.9° |
| C13 | C19 | C18 | C20 | 178.3° | 179.9° |
| C08 | C09 | C11 | H111 | 89.7° | 90.1° |
| C08 | C09 | C11 | H113 | 30.4° | 29.9° |
| C08 | C09 | C11 | H112 | 150.3° | 150.0° |
| C11 | C09 | C08 | H081 | 0.4° | 1.3° |
| C09 | C11 | H111 | H113 | 120.0° | 120.0° |
| C09 | C11 | H111 | H112 | 120.0° | 120.0° |
| C09 | C11 | H113 | H112 | 120.0° | 120.1° |
| C17 | C18 | C19 | C20 | 179.0° | 180.0° |
| C17 | C18 | C20 | S21 | 68.4° | 90.0° |
| C17 | C18 | C20 | H201 | 171.4° | 150.1° |
| C17 | C18 | C20 | H202 | 51.8° | 30.0° |
| C18 | C17 | C16 | H161 | 179.1° | 179.9° |
| C17 | C18 | C19 | H191 | 177.3° | 179.9° |
| C19 | C18 | C20 | S21 | 112.6° | 90.0° |
| C19 | C18 | C17 | H171 | 179.6° | 178.1° |
| C19 | C18 | C20 | H201 | 7.6° | 30.0° |
| C19 | C18 | C20 | H202 | 127.2° | 150.0° |
| C18 | C20 | S21 | O23 | 41.3° | 65.5° |
| C18 | C20 | S21 | O22 | 71.0° | 65.5° |
| C18 | C20 | S21 | H201 | 120.2° | 120.0° |
| C18 | C20 | S21 | H202 | 120.2° | 120.0° |
| C18 | C20 | S21 | C24 | 165.6° | 180.0° |
| C20 | C18 | C17 | H171 | 0.6° | 1.8° |
| C18 | C20 | H201 | H202 | 119.3° | 120.0° |
| C20 | C18 | C19 | H191 | 1.7° | 0.1° |
| O23 | S21 | O22 | C20 | 119.0° | 124.9° |
| O23 | S21 | O22 | C24 | 119.9° | 125.0° |
| O23 | S21 | C20 | C24 | 124.3° | 114.5° |
| O23 | S21 | C20 | H201 | 78.8° | 54.5° |
| O23 | S21 | C20 | H202 | 161.6° | 174.5° |
| O23 | S21 | C24 | H242 | 180.0° | 174.5° |
| O23 | S21 | C24 | H241 | 60.0° | 65.5° |
| O23 | S21 | C24 | H243 | 60.0° | 54.5° |
| O22 | S21 | C20 | C24 | 123.4° | 114.5° |
| O22 | S21 | C20 | H201 | 168.9° | 174.6° |
| O22 | S21 | C20 | H202 | 49.3° | 54.5° |
| O22 | S21 | C24 | H242 | 66.5° | 54.5° |
| O22 | S21 | C24 | H241 | 53.6° | 65.5° |
| O22 | S21 | C24 | H243 | 173.6° | 174.5° |
| S21 | C20 | H201 | H202 | 119.3° | 120.0° |
| C20 | S21 | C24 | H242 | 55.7° | 60.0° |
| C20 | S21 | C24 | H241 | 175.7° | 180.0° |
| C20 | S21 | C24 | H243 | 64.3° | 60.0° |
| C24 | S21 | C20 | H201 | 45.4° | 60.0° |
| C24 | S21 | C20 | H202 | 74.2° | 60.0° |
| S21 | C24 | H242 | H241 | 120.0° | 119.9° |
| S21 | C24 | H242 | H243 | 120.0° | 120.0° |
| S21 | C24 | H241 | H243 | 120.0° | 119.9° |
| H171 | C17 | C16 | H161 | 0.9° | 0.0° |
| H242 | C24 | H241 | H243 | 120.0° | 120.1° |
| H281 | C28 | C29 | H291 | 1.5° | 0.2° |
| H1 | C02 | N01 | H2 | 0.4° | 0.3° |
| H111 | C11 | H113 | H112 | 120.0° | 120.0° |
| H291 | C29 | C30 | H301 | 0.3° | 0.1° |
| H331 | C33 | C34 | H341 | 0.1° | 0.0° |
| H341 | C34 | C35 | H351 | 0.3° | 0.0° |
| H351 | C35 | C36 | H361 | 0.3° | 0.0° |
