YJF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | C30 | sing | 1.43Å | 1.43Å | |
| C30 | C29 | sing | 1.53Å | 1.55Å | |
| C29 | O32 | sing | 1.43Å | 1.43Å | |
| C29 | C27 | sing | 1.53Å | 1.52Å | |
| N05 | N06 | doub | 1.29Å | 1.29Å | Aromatic |
| N05 | N04 | sing | 1.29Å | 1.36Å | Aromatic |
| O32 | C22 | sing | 1.43Å | 1.44Å | |
| O19 | C18 | sing | 1.43Å | 1.41Å | |
| N06 | C07 | sing | 1.34Å | 1.37Å | Aromatic |
| O28 | C27 | sing | 1.43Å | 1.38Å | |
| C27 | C25 | sing | 1.53Å | 1.54Å | |
| C03 | N04 | sing | 1.47Å | 1.45Å | |
| C03 | C18 | sing | 1.53Å | 1.50Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C20 | C18 | sing | 1.53Å | 1.54Å | |
| C20 | S21 | sing | 1.81Å | 1.83Å | |
| C20 | O33 | sing | 1.43Å | 1.43Å | |
| N04 | C17 | sing | 1.35Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | S21 | sing | 1.81Å | 1.80Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C34 | C02 | sing | 1.53Å | 1.53Å | |
| C34 | O33 | sing | 1.43Å | 1.43Å | |
| C34 | C35 | sing | 1.53Å | 1.47Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | O01 | sing | 1.43Å | 1.42Å | |
| C07 | C17 | doub | 1.35Å | 1.39Å | Aromatic |
| C07 | S08 | sing | 1.76Å | 1.66Å | |
| C25 | C23 | sing | 1.53Å | 1.53Å | |
| C25 | O26 | sing | 1.43Å | 1.43Å | |
| O36 | C35 | sing | 1.43Å | 1.44Å | |
| C10 | S08 | sing | 1.76Å | 1.76Å | |
| C10 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| O16 | S08 | doub | 1.42Å | 1.46Å | |
| C23 | O24 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| S08 | O09 | doub | 1.42Å | 1.42Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| O31 | H311 | sing | 0.97Å | 0.95Å | |
| O36 | H361 | sing | 0.97Å | 0.95Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O19 | H191 | sing | 0.97Å | 0.95Å | |
| O24 | H241 | sing | 0.97Å | 0.95Å | |
| O26 | H261 | sing | 0.97Å | 0.95Å | |
| O28 | H281 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | C30 | C29 | 110.1° | 109.5° |
| C30 | O31 | H311 | 109.5° | 114.0° |
| O31 | C30 | H301 | 109.3° | 109.5° |
| O31 | C30 | H302 | 109.3° | 109.4° |
| C30 | C29 | O32 | 108.0° | 109.5° |
| C30 | C29 | C27 | 112.8° | 109.5° |
| C30 | C29 | H291 | 108.3° | 109.5° |
| C29 | C30 | H301 | 109.3° | 109.5° |
| C29 | C30 | H302 | 109.3° | 109.5° |
| O32 | C29 | C27 | 109.5° | 109.4° |
| C29 | O32 | C22 | 113.0° | 114.1° |
| O32 | C29 | H291 | 109.8° | 109.5° |
| C29 | C27 | O28 | 110.8° | 109.6° |
| C29 | C27 | C25 | 105.3° | 109.2° |
| C29 | C27 | H271 | 109.8° | 109.5° |
| C27 | C29 | H291 | 108.5° | 109.5° |
| N06 | N05 | N04 | 109.5° | 110.2° |
| N05 | N06 | C07 | 109.7° | 108.8° |
| N05 | N04 | C03 | 122.6° | 125.8° |
| N05 | N04 | C17 | 107.9° | 108.3° |
| O32 | C22 | S21 | 105.6° | 109.5° |
| O32 | C22 | C23 | 112.0° | 109.4° |
| O32 | C22 | H221 | 111.1° | 109.5° |
| O19 | C18 | C03 | 110.3° | 109.6° |
| O19 | C18 | C20 | 108.6° | 109.5° |
| O19 | C18 | H181 | 111.2° | 109.5° |
| C18 | O19 | H191 | 109.5° | 114.1° |
| N06 | C07 | C17 | 107.6° | 106.5° |
| N06 | C07 | S08 | 122.1° | 126.8° |
| O28 | C27 | C25 | 109.3° | 109.6° |
| O28 | C27 | H271 | 111.8° | 109.5° |
| C27 | O28 | H281 | 109.5° | 114.0° |
| C27 | C25 | C23 | 113.0° | 109.1° |
| C27 | C25 | O26 | 106.8° | 109.5° |
| C27 | C25 | H251 | 108.5° | 109.6° |
| C25 | C27 | H271 | 109.6° | 109.5° |
| N04 | C03 | C18 | 111.6° | 109.6° |
| N04 | C03 | C02 | 108.4° | 109.5° |
| C03 | N04 | C17 | 129.1° | 125.9° |
| N04 | C03 | H031 | 108.7° | 109.5° |
| C18 | C03 | C02 | 112.4° | 109.0° |
| C03 | C18 | C20 | 107.4° | 109.2° |
| C03 | C18 | H181 | 109.9° | 109.5° |
| C18 | C03 | H031 | 108.0° | 109.6° |
| C03 | C02 | C34 | 107.0° | 109.1° |
| C03 | C02 | O01 | 109.5° | 109.5° |
| C03 | C02 | H021 | 109.0° | 109.5° |
| C02 | C03 | H031 | 107.7° | 109.6° |
| C18 | C20 | S21 | 108.1° | 109.5° |
| C18 | C20 | O33 | 110.7° | 109.4° |
| C20 | C18 | H181 | 109.3° | 109.5° |
| C18 | C20 | H201 | 111.6° | 109.5° |
| S21 | C20 | O33 | 104.8° | 109.5° |
| C20 | S21 | C22 | 101.6° | 103.0° |
| S21 | C20 | H201 | 108.0° | 109.5° |
| C20 | O33 | C34 | 111.8° | 114.1° |
| O33 | C20 | H201 | 113.4° | 109.5° |
| N04 | C17 | C07 | 105.2° | 106.2° |
| N04 | C17 | H171 | 127.4° | 126.9° |
| C11 | C12 | C13 | 119.9° | 120.0° |
| C12 | C11 | C10 | 122.0° | 120.0° |
| C12 | C11 | H111 | 119.0° | 120.0° |
| C11 | C12 | H121 | 120.0° | 119.9° |
| C12 | C13 | C14 | 120.1° | 120.0° |
| C13 | C12 | H121 | 120.0° | 120.0° |
| C12 | C13 | H131 | 119.9° | 120.0° |
| C11 | C10 | S08 | 125.5° | 120.0° |
| C11 | C10 | C15 | 115.6° | 120.0° |
| C10 | C11 | H111 | 119.0° | 120.0° |
| S21 | C22 | C23 | 111.1° | 109.5° |
| S21 | C22 | H221 | 106.8° | 109.5° |
| C22 | C23 | C25 | 105.5° | 109.2° |
| C22 | C23 | O24 | 110.2° | 109.5° |
| C23 | C22 | H221 | 110.0° | 109.5° |
| C22 | C23 | H231 | 110.3° | 109.5° |
| C02 | C34 | O33 | 108.6° | 109.4° |
| C02 | C34 | C35 | 111.5° | 109.5° |
| C34 | C02 | O01 | 111.9° | 109.5° |
| C34 | C02 | H021 | 108.9° | 109.6° |
| C02 | C34 | H341 | 108.8° | 109.5° |
| O33 | C34 | C35 | 108.3° | 109.5° |
| O33 | C34 | H341 | 110.1° | 109.5° |
| C34 | C35 | O36 | 112.5° | 109.4° |
| C35 | C34 | H341 | 109.6° | 109.5° |
| C34 | C35 | H352 | 108.7° | 109.5° |
| C34 | C35 | H351 | 108.7° | 109.5° |
| C13 | C14 | C15 | 117.7° | 120.0° |
| C14 | C13 | H131 | 119.9° | 120.0° |
| C13 | C14 | H141 | 121.2° | 120.0° |
| O01 | C02 | H021 | 110.5° | 109.5° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C17 | C07 | S08 | 130.3° | 126.7° |
| C07 | C17 | H171 | 127.4° | 126.9° |
| C07 | S08 | C10 | 107.9° | 107.2° |
| C07 | S08 | O16 | 107.8° | 106.4° |
| C07 | S08 | O09 | 109.6° | 106.4° |
| C23 | C25 | O26 | 110.0° | 109.6° |
| C25 | C23 | O24 | 108.8° | 109.5° |
| C25 | C23 | H231 | 110.2° | 109.6° |
| C23 | C25 | H251 | 108.6° | 109.6° |
| O26 | C25 | H251 | 109.9° | 109.5° |
| C25 | O26 | H261 | 109.5° | 114.0° |
| C35 | O36 | H361 | 109.5° | 114.0° |
| O36 | C35 | H352 | 108.7° | 109.5° |
| O36 | C35 | H351 | 108.7° | 109.5° |
| S08 | C10 | C15 | 119.0° | 120.0° |
| C10 | S08 | O16 | 113.1° | 106.4° |
| C10 | S08 | O09 | 104.5° | 106.4° |
| C10 | C15 | C14 | 124.6° | 120.0° |
| C10 | C15 | H151 | 117.7° | 120.0° |
| O16 | S08 | O09 | 113.8° | 123.2° |
| O24 | C23 | H231 | 111.7° | 109.5° |
| C23 | O24 | H241 | 109.5° | 114.0° |
| C15 | C14 | H141 | 121.1° | 120.0° |
| C14 | C15 | H151 | 117.7° | 119.9° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H352 | C35 | H351 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | C30 | C29 | H301 | 120.1° | 120.1° |
| O31 | C30 | C29 | H302 | 120.1° | 120.0° |
| O31 | C30 | C29 | O32 | 73.3° | 65.0° |
| O31 | C30 | C29 | C27 | 165.6° | 175.0° |
| O31 | C30 | C29 | H291 | 45.4° | 55.0° |
| O31 | C30 | H301 | H302 | 119.7° | 120.0° |
| C30 | C29 | O32 | C27 | 123.2° | 120.0° |
| C30 | C29 | O32 | H291 | 117.8° | 120.1° |
| C30 | C29 | C27 | H291 | 119.9° | 120.0° |
| C30 | C29 | O32 | C22 | 174.1° | 178.9° |
| C30 | C29 | C27 | O28 | 61.9° | 62.5° |
| C30 | C29 | C27 | C25 | 179.9° | 177.6° |
| C29 | C30 | O31 | H311 | 180.0° | 179.9° |
| C30 | C29 | C27 | H271 | 62.1° | 57.7° |
| C29 | C30 | H301 | H302 | 119.7° | 120.0° |
| O32 | C29 | C27 | H291 | 119.8° | 119.9° |
| O32 | C29 | C27 | O28 | 177.9° | 177.5° |
| O32 | C29 | C27 | C25 | 59.8° | 57.6° |
| C29 | O32 | C22 | S21 | 177.9° | 178.9° |
| C29 | O32 | C22 | C23 | 61.0° | 61.1° |
| C29 | O32 | C22 | H221 | 62.4° | 58.8° |
| O32 | C29 | C27 | H271 | 58.1° | 62.3° |
| O32 | C29 | C30 | H301 | 46.7° | 55.0° |
| O32 | C29 | C30 | H302 | 166.5° | 175.0° |
| C27 | C29 | O32 | C22 | 62.7° | 61.1° |
| C29 | C27 | O28 | C25 | 115.6° | 119.7° |
| C29 | C27 | O28 | H271 | 122.8° | 120.2° |
| C29 | C27 | C25 | H271 | 118.0° | 119.9° |
| C29 | C27 | C25 | C23 | 60.5° | 57.0° |
| C29 | C27 | C25 | O26 | 178.5° | 176.9° |
| C29 | C27 | C25 | H251 | 60.1° | 63.0° |
| C27 | C29 | C30 | H301 | 74.4° | 64.9° |
| C27 | C29 | C30 | H302 | 45.4° | 55.0° |
| C29 | C27 | O28 | H281 | 180.0° | 179.7° |
| N06 | N05 | N04 | C03 | 177.0° | 179.9° |
| N06 | N05 | N04 | C17 | 3.2° | 0.1° |
| N05 | N06 | C07 | C17 | 1.5° | 0.2° |
| N05 | N06 | C07 | S08 | 176.7° | 179.8° |
| N04 | N05 | N06 | C07 | 2.9° | 0.0° |
| N05 | N04 | C03 | C17 | 172.4° | 179.9° |
| N05 | N04 | C03 | C18 | 127.8° | 145.0° |
| N05 | N04 | C03 | C02 | 107.9° | 95.5° |
| N05 | N04 | C17 | C07 | 2.2° | 0.3° |
| N05 | N04 | C17 | H171 | 177.8° | 179.9° |
| N05 | N04 | C03 | H031 | 8.8° | 24.7° |
| O32 | C22 | S21 | C20 | 97.5° | 65.0° |
| O32 | C22 | S21 | C23 | 121.6° | 120.0° |
| O32 | C22 | S21 | H221 | 118.4° | 120.0° |
| O32 | C22 | C23 | H221 | 124.1° | 120.0° |
| O32 | C22 | C23 | C25 | 55.2° | 57.6° |
| O32 | C22 | C23 | O24 | 172.5° | 177.5° |
| O32 | C22 | C23 | H231 | 63.8° | 62.4° |
| C22 | O32 | C29 | H291 | 56.3° | 58.8° |
| O19 | C18 | C03 | N04 | 64.7° | 63.2° |
| O19 | C18 | C03 | C20 | 118.2° | 120.0° |
| O19 | C18 | C03 | H181 | 122.9° | 120.1° |
| O19 | C18 | C03 | C02 | 173.3° | 177.0° |
| O19 | C18 | C20 | H181 | 121.5° | 120.1° |
| O19 | C18 | C20 | S21 | 70.2° | 62.4° |
| O19 | C18 | C20 | O33 | 175.6° | 177.6° |
| O19 | C18 | C20 | H201 | 48.4° | 57.6° |
| O19 | C18 | C03 | H031 | 54.7° | 57.0° |
| N06 | C07 | C17 | N04 | 0.5° | 0.3° |
| N06 | C07 | C17 | S08 | 178.0° | 180.0° |
| N06 | C07 | S08 | C10 | 82.2° | 90.0° |
| N06 | C07 | S08 | O16 | 40.3° | 23.5° |
| N06 | C07 | S08 | O09 | 164.6° | 156.5° |
| N06 | C07 | C17 | H171 | 179.5° | 179.9° |
| O28 | C27 | C25 | H271 | 122.9° | 120.1° |
| O28 | C27 | C25 | C23 | 179.6° | 176.9° |
| O28 | C27 | C25 | O26 | 59.4° | 63.1° |
| O28 | C27 | C25 | H251 | 59.0° | 57.0° |
| O28 | C27 | C29 | H291 | 58.1° | 57.6° |
| C27 | C25 | C23 | C22 | 57.6° | 57.0° |
| C27 | C25 | C23 | O26 | 119.2° | 119.9° |
| C27 | C25 | C23 | H251 | 120.5° | 119.9° |
| C27 | C25 | O26 | H251 | 117.5° | 120.2° |
| C27 | C25 | C23 | O24 | 175.9° | 176.9° |
| C27 | C25 | C23 | H231 | 61.4° | 63.0° |
| C25 | C27 | C29 | H291 | 60.0° | 62.4° |
| C27 | C25 | O26 | H261 | 180.0° | 179.6° |
| C25 | C27 | O28 | H281 | 64.4° | 60.0° |
| N04 | C03 | C18 | C02 | 122.0° | 119.8° |
| N04 | C03 | C18 | H031 | 119.4° | 120.2° |
| N04 | C03 | C02 | H031 | 117.4° | 120.2° |
| N04 | C03 | C18 | C20 | 177.1° | 176.8° |
| N04 | C03 | C02 | C34 | 178.7° | 176.8° |
| N04 | C03 | C02 | O01 | 59.9° | 56.9° |
| C03 | N04 | C17 | C07 | 175.4° | 179.8° |
| C03 | N04 | C17 | H171 | 4.6° | 0.1° |
| N04 | C03 | C18 | H181 | 58.3° | 56.9° |
| N04 | C03 | C02 | H021 | 61.0° | 63.2° |
| C18 | C03 | C02 | H031 | 118.9° | 120.0° |
| C03 | C18 | C20 | H181 | 119.2° | 119.9° |
| C03 | C18 | C20 | S21 | 170.5° | 177.6° |
| C03 | C18 | C20 | O33 | 56.3° | 57.6° |
| C18 | C03 | N04 | C17 | 59.9° | 35.0° |
| C18 | C03 | C02 | C34 | 57.6° | 57.0° |
| C18 | C03 | C02 | O01 | 63.8° | 63.0° |
| C03 | C18 | C20 | H201 | 70.9° | 62.4° |
| C18 | C03 | C02 | H021 | 175.2° | 176.9° |
| C03 | C18 | O19 | H191 | 180.0° | 179.8° |
| C02 | C03 | C18 | C20 | 55.1° | 57.0° |
| C02 | C03 | N04 | C17 | 64.4° | 84.6° |
| C03 | C02 | C34 | O01 | 119.9° | 119.9° |
| C03 | C02 | C34 | H021 | 117.7° | 119.9° |
| C03 | C02 | C34 | O33 | 59.6° | 57.6° |
| C03 | C02 | C34 | C35 | 178.9° | 177.6° |
| C03 | C02 | O01 | H021 | 120.0° | 120.1° |
| C02 | C03 | C18 | H181 | 63.8° | 62.9° |
| C03 | C02 | C34 | H341 | 60.1° | 62.4° |
| C03 | C02 | O01 | H011 | 180.0° | 179.8° |
| C18 | C20 | S21 | O33 | 118.0° | 119.9° |
| C18 | C20 | S21 | H201 | 120.8° | 120.0° |
| C18 | C20 | O33 | H201 | 126.2° | 120.0° |
| C18 | C20 | S21 | C22 | 178.1° | 175.0° |
| C18 | C20 | O33 | C34 | 63.4° | 61.1° |
| C20 | C18 | C03 | H031 | 63.5° | 63.0° |
| C20 | C18 | O19 | H191 | 62.5° | 60.1° |
| S21 | C20 | O33 | H201 | 117.5° | 120.0° |
| C20 | S21 | C22 | C23 | 140.9° | 175.0° |
| S21 | C20 | O33 | C34 | 179.7° | 178.9° |
| S21 | C20 | C18 | H181 | 51.3° | 57.7° |
| C20 | S21 | C22 | H221 | 20.9° | 55.0° |
| O33 | C20 | S21 | C22 | 60.1° | 65.0° |
| C20 | O33 | C34 | C02 | 65.0° | 61.1° |
| C20 | O33 | C34 | C35 | 173.7° | 178.9° |
| O33 | C20 | C18 | H181 | 62.9° | 62.3° |
| C20 | O33 | C34 | H341 | 53.9° | 58.8° |
| N04 | C17 | C07 | H171 | 180.0° | 179.7° |
| N04 | C17 | C07 | S08 | 178.5° | 179.7° |
| C17 | N04 | C03 | H031 | 178.8° | 155.2° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.4° | 0.0° |
| C12 | C11 | C10 | S08 | 177.7° | 180.0° |
| C12 | C11 | C10 | C15 | 3.1° | 0.3° |
| C11 | C12 | C13 | H131 | 178.6° | 180.0° |
| C13 | C12 | C11 | C10 | 3.5° | 0.0° |
| C12 | C13 | C14 | H131 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.8° | 0.3° |
| C13 | C12 | C11 | H111 | 176.5° | 180.0° |
| C12 | C13 | C14 | H141 | 179.2° | 180.0° |
| C11 | C10 | S08 | C07 | 97.4° | 89.7° |
| C11 | C10 | S08 | C15 | 179.2° | 179.8° |
| C11 | C10 | S08 | O16 | 21.7° | 156.7° |
| C11 | C10 | C15 | C14 | 0.9° | 0.5° |
| C11 | C10 | S08 | O09 | 146.0° | 23.8° |
| C10 | C11 | C12 | H121 | 176.5° | 180.0° |
| C11 | C10 | C15 | H151 | 179.1° | 179.7° |
| S21 | C22 | C23 | H221 | 118.1° | 120.1° |
| S21 | C22 | C23 | C25 | 173.0° | 177.6° |
| S21 | C22 | C23 | O24 | 69.7° | 62.5° |
| C22 | S21 | C20 | H201 | 61.1° | 55.0° |
| S21 | C22 | C23 | H231 | 54.1° | 57.6° |
| C22 | C23 | C25 | O24 | 118.2° | 119.9° |
| C22 | C23 | C25 | H231 | 119.0° | 120.0° |
| C22 | C23 | C25 | O26 | 176.8° | 176.9° |
| C22 | C23 | O24 | H231 | 122.9° | 120.1° |
| C22 | C23 | C25 | H251 | 62.8° | 63.0° |
| C22 | C23 | O24 | H241 | 180.0° | 60.0° |
| C02 | C34 | O33 | C35 | 121.2° | 120.0° |
| C02 | C34 | O33 | H341 | 118.9° | 120.0° |
| C02 | C34 | C35 | H341 | 120.5° | 120.0° |
| C34 | C02 | O01 | H021 | 121.6° | 120.2° |
| C02 | C34 | C35 | O36 | 179.9° | 175.0° |
| C34 | C02 | C03 | H031 | 61.3° | 63.0° |
| C02 | C34 | C35 | H352 | 59.7° | 65.0° |
| C02 | C34 | C35 | H351 | 59.4° | 55.0° |
| C34 | C02 | O01 | H011 | 61.6° | 60.2° |
| O33 | C34 | C35 | H341 | 120.1° | 120.1° |
| O33 | C34 | C02 | O01 | 60.2° | 62.3° |
| O33 | C34 | C35 | O36 | 60.5° | 65.0° |
| C34 | O33 | C20 | H201 | 62.8° | 58.8° |
| O33 | C34 | C02 | H021 | 177.3° | 177.5° |
| O33 | C34 | C35 | H352 | 179.1° | 54.9° |
| O33 | C34 | C35 | H351 | 60.0° | 175.0° |
| C35 | C34 | C02 | O01 | 59.0° | 57.7° |
| C34 | C35 | O36 | H352 | 120.4° | 120.0° |
| C34 | C35 | O36 | H351 | 120.5° | 120.0° |
| C34 | C35 | O36 | H361 | 180.0° | 180.0° |
| C35 | C34 | C02 | H021 | 63.5° | 62.5° |
| C34 | C35 | H352 | H351 | 118.6° | 120.0° |
| C13 | C14 | C15 | C10 | 1.0° | 0.5° |
| C13 | C14 | C15 | H141 | 180.0° | 179.7° |
| C14 | C13 | C12 | H121 | 178.6° | 180.0° |
| C13 | C14 | C15 | H151 | 179.0° | 179.7° |
| O01 | C02 | C03 | H031 | 177.3° | 177.1° |
| O01 | C02 | C34 | H341 | 180.0° | 177.7° |
| C17 | C07 | S08 | C10 | 100.1° | 90.0° |
| C17 | C07 | S08 | O16 | 137.5° | 156.5° |
| C17 | C07 | S08 | O09 | 13.1° | 23.6° |
| C07 | S08 | C10 | O16 | 119.2° | 113.5° |
| C07 | S08 | C10 | O09 | 116.6° | 113.5° |
| C07 | S08 | C10 | C15 | 81.8° | 90.0° |
| C07 | S08 | O16 | O09 | 121.8° | 122.9° |
| S08 | C07 | C17 | H171 | 1.5° | 0.0° |
| C23 | C25 | O26 | H251 | 119.6° | 120.2° |
| C25 | C23 | O24 | H231 | 121.8° | 120.2° |
| C25 | C23 | C22 | H221 | 68.9° | 62.4° |
| C23 | C25 | C27 | H271 | 57.5° | 62.9° |
| C25 | C23 | O24 | H241 | 64.8° | 179.7° |
| C23 | C25 | O26 | H261 | 57.1° | 60.0° |
| O26 | C25 | C23 | O24 | 64.9° | 63.2° |
| O26 | C25 | C23 | H231 | 57.8° | 56.9° |
| O26 | C25 | C27 | H271 | 63.5° | 57.0° |
| O36 | C35 | C34 | H341 | 59.6° | 55.0° |
| O36 | C35 | H352 | H351 | 118.6° | 120.0° |
| C10 | S08 | O16 | O09 | 119.1° | 123.0° |
| S08 | C10 | C15 | C14 | 179.9° | 179.7° |
| S08 | C10 | C11 | H111 | 2.3° | 0.0° |
| S08 | C10 | C15 | H151 | 0.1° | 0.1° |
| C15 | C10 | S08 | O16 | 159.1° | 23.5° |
| C10 | C15 | C14 | H151 | 180.0° | 179.8° |
| C15 | C10 | S08 | O09 | 34.8° | 156.4° |
| C15 | C10 | C11 | H111 | 176.9° | 179.8° |
| C10 | C15 | C14 | H141 | 179.0° | 179.8° |
| O24 | C23 | C22 | H221 | 48.4° | 57.6° |
| O24 | C23 | C25 | H251 | 55.4° | 56.9° |
| C15 | C14 | C13 | H131 | 179.3° | 179.8° |
| H111 | C11 | C12 | H121 | 3.5° | 0.0° |
| H121 | C12 | C13 | H131 | 1.4° | 0.0° |
| H131 | C13 | C14 | H141 | 0.7° | 0.1° |
| H141 | C14 | C15 | H151 | 1.0° | 0.0° |
| H181 | C18 | C20 | H201 | 169.9° | 177.7° |
| H181 | C18 | C03 | H031 | 177.6° | 177.1° |
| H181 | C18 | O19 | H191 | 57.8° | 60.0° |
| H221 | C22 | C23 | H231 | 172.2° | 177.7° |
| H231 | C23 | C25 | H251 | 178.1° | 177.1° |
| H231 | C23 | O24 | H241 | 57.0° | 60.2° |
| H251 | C25 | C27 | H271 | 178.1° | 177.1° |
| H251 | C25 | O26 | H261 | 62.5° | 60.2° |
| H311 | O31 | C30 | H301 | 59.9° | 59.9° |
| H311 | O31 | C30 | H302 | 59.9° | 60.0° |
| H361 | O36 | C35 | H352 | 59.6° | 60.0° |
| H361 | O36 | C35 | H351 | 59.6° | 60.0° |
| H021 | C02 | C03 | H031 | 56.3° | 57.0° |
| H021 | C02 | C34 | H341 | 57.6° | 57.5° |
| H021 | C02 | O01 | H011 | 59.9° | 60.1° |
| H271 | C27 | C29 | H291 | 177.9° | 177.7° |
| H271 | C27 | O28 | H281 | 57.2° | 60.2° |
| H291 | C29 | C30 | H301 | 165.5° | 175.1° |
| H291 | C29 | C30 | H302 | 74.7° | 65.0° |
| H341 | C34 | C35 | H352 | 60.8° | 175.0° |
| H341 | C34 | C35 | H351 | 179.9° | 65.0° |
