YRF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | S17 | doub | 1.42Å | 1.40Å | |
| S17 | O20 | doub | 1.42Å | 1.50Å | |
| S17 | C18 | sing | 1.81Å | 1.79Å | |
| S17 | N16 | sing | 1.66Å | 1.73Å | |
| N16 | C15 | sing | 1.40Å | 1.44Å | |
| C15 | C21 | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.45Å | Aromatic |
| F14 | C13 | sing | 1.35Å | 1.39Å | |
| C13 | C12 | doub | 1.38Å | 1.34Å | Aromatic |
| C22 | C11 | doub | 1.40Å | 1.35Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.50Å | |
| O09 | C07 | doub | 1.22Å | 1.23Å | |
| C07 | C06 | sing | 1.46Å | 1.49Å | |
| C07 | O08 | sing | 1.35Å | 1.27Å | |
| C10 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C23 | sing | 1.47Å | 1.40Å | Aromatic |
| C06 | N05 | sing | 1.38Å | 1.34Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C04 | sing | 1.41Å | 1.43Å | Aromatic |
| C24 | C25 | sing | 1.37Å | 1.38Å | Aromatic |
| N05 | C04 | sing | 1.37Å | 1.36Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.42Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.42Å | Aromatic |
| O38 | C37 | doub | 1.22Å | 1.16Å | |
| C03 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.56Å | |
| C37 | O36 | sing | 1.34Å | 1.41Å | |
| C37 | N27 | sing | 1.34Å | 1.43Å | |
| O36 | C29 | sing | 1.46Å | 1.35Å | |
| N27 | C02 | sing | 1.47Å | 1.47Å | |
| N27 | C28 | sing | 1.47Å | 1.45Å | |
| C02 | C01 | sing | 1.53Å | 1.50Å | |
| C29 | C30 | sing | 1.53Å | 1.49Å | |
| C29 | C28 | sing | 1.54Å | 1.42Å | |
| C30 | N31 | sing | 1.47Å | 1.40Å | |
| N31 | C32 | sing | 1.48Å | 1.51Å | |
| N31 | C35 | sing | 1.48Å | 1.47Å | |
| C32 | C33 | sing | 1.54Å | 1.46Å | |
| N34 | C33 | sing | 1.47Å | 1.45Å | |
| C35 | C33 | sing | 1.54Å | 1.50Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H1 | sing | 1.09Å | 1.10Å | |
| C29 | H2 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| N34 | H341 | sing | 1.01Å | 1.00Å | |
| N34 | H4 | sing | 1.01Å | 1.00Å | |
| O08 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | S17 | O20 | 109.7° | 121.1° |
| O19 | S17 | C18 | 104.9° | 110.5° |
| O19 | S17 | N16 | 113.4° | 104.3° |
| O20 | S17 | C18 | 113.8° | 110.5° |
| O20 | S17 | N16 | 106.4° | 104.3° |
| C18 | S17 | N16 | 108.8° | 104.4° |
| S17 | C18 | H183 | 109.5° | 109.5° |
| S17 | C18 | H182 | 109.5° | 109.5° |
| S17 | C18 | H181 | 109.4° | 109.5° |
| S17 | N16 | C15 | 119.1° | 120.0° |
| S17 | N16 | H161 | 107.0° | 120.0° |
| N16 | C15 | C21 | 118.2° | 119.9° |
| N16 | C15 | C13 | 117.1° | 119.9° |
| C15 | N16 | H161 | 107.0° | 120.0° |
| C21 | C15 | C13 | 124.6° | 120.1° |
| C15 | C21 | C22 | 118.1° | 120.1° |
| C15 | C21 | H211 | 120.9° | 120.0° |
| C15 | C13 | F14 | 125.7° | 120.0° |
| C15 | C13 | C12 | 114.8° | 120.0° |
| C21 | C22 | C11 | 115.3° | 120.0° |
| C22 | C21 | H211 | 121.0° | 120.0° |
| C21 | C22 | H221 | 122.3° | 120.0° |
| F14 | C13 | C12 | 119.3° | 119.9° |
| C13 | C12 | C11 | 123.5° | 119.9° |
| C13 | C12 | H121 | 118.3° | 120.0° |
| C22 | C11 | C12 | 123.2° | 119.8° |
| C22 | C11 | C10 | 122.0° | 120.1° |
| C11 | C22 | H221 | 122.4° | 120.0° |
| C12 | C11 | C10 | 114.8° | 120.1° |
| C11 | C12 | H121 | 118.2° | 120.0° |
| C11 | C10 | C06 | 124.7° | 126.8° |
| C11 | C10 | C23 | 129.8° | 126.8° |
| O09 | C07 | C06 | 118.6° | 120.0° |
| O09 | C07 | O08 | 121.4° | 120.0° |
| C06 | C07 | O08 | 119.3° | 120.0° |
| C07 | C06 | C10 | 130.5° | 125.6° |
| C07 | C06 | N05 | 118.5° | 125.6° |
| C07 | O08 | H5 | 109.5° | 114.0° |
| C06 | C10 | C23 | 105.4° | 106.5° |
| C10 | C06 | N05 | 110.9° | 108.9° |
| C10 | C23 | C24 | 134.3° | 133.6° |
| C10 | C23 | C04 | 107.5° | 106.5° |
| C06 | N05 | C04 | 109.2° | 110.1° |
| C06 | N05 | H051 | 125.4° | 124.9° |
| C24 | C23 | C04 | 118.1° | 120.0° |
| C23 | C24 | C25 | 119.6° | 119.8° |
| C23 | C24 | H241 | 120.2° | 120.1° |
| C23 | C04 | N05 | 106.8° | 108.0° |
| C23 | C04 | C03 | 123.6° | 119.2° |
| C24 | C25 | C26 | 121.1° | 120.5° |
| C25 | C24 | H241 | 120.2° | 120.1° |
| C24 | C25 | H251 | 119.5° | 119.7° |
| N05 | C04 | C03 | 129.5° | 132.8° |
| C04 | N05 | H051 | 125.4° | 125.0° |
| C04 | C03 | C26 | 115.4° | 119.8° |
| C04 | C03 | C02 | 118.9° | 120.1° |
| C25 | C26 | C03 | 122.2° | 120.7° |
| C26 | C25 | H251 | 119.5° | 119.7° |
| C25 | C26 | H261 | 118.9° | 119.7° |
| O38 | C37 | O36 | 125.3° | 123.1° |
| O38 | C37 | N27 | 129.4° | 123.1° |
| C26 | C03 | C02 | 125.7° | 120.1° |
| C03 | C26 | H261 | 118.9° | 119.6° |
| C03 | C02 | N27 | 108.5° | 109.4° |
| C03 | C02 | C01 | 110.3° | 109.5° |
| C03 | C02 | H021 | 107.9° | 109.5° |
| O36 | C37 | N27 | 104.9° | 113.8° |
| C37 | O36 | C29 | 109.7° | 109.5° |
| C37 | N27 | C02 | 118.7° | 125.6° |
| C37 | N27 | C28 | 110.1° | 108.9° |
| O36 | C29 | C30 | 113.2° | 110.5° |
| O36 | C29 | C28 | 112.2° | 104.0° |
| O36 | C29 | H2 | 90.4° | 110.6° |
| C02 | N27 | C28 | 130.7° | 125.5° |
| N27 | C02 | C01 | 112.4° | 109.4° |
| N27 | C02 | H021 | 109.0° | 109.5° |
| N27 | C28 | C29 | 102.9° | 103.9° |
| N27 | C28 | H281 | 111.1° | 110.6° |
| N27 | C28 | H1 | 111.1° | 110.6° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.7° | 109.5° |
| C30 | C29 | C28 | 134.6° | 110.5° |
| C29 | C30 | N31 | 111.7° | 109.5° |
| C30 | C29 | H2 | 90.3° | 110.5° |
| C29 | C30 | H301 | 108.9° | 109.4° |
| C29 | C30 | H302 | 108.9° | 109.5° |
| C29 | C28 | H281 | 111.1° | 110.6° |
| C29 | C28 | H1 | 111.1° | 110.5° |
| C28 | C29 | H2 | 90.3° | 110.5° |
| C30 | N31 | C32 | 110.3° | 111.0° |
| C30 | N31 | C35 | 100.1° | 111.0° |
| N31 | C30 | H301 | 108.9° | 109.4° |
| N31 | C30 | H302 | 108.9° | 109.5° |
| C32 | N31 | C35 | 90.7° | 90.8° |
| N31 | C32 | C33 | 88.8° | 86.2° |
| N31 | C32 | H321 | 114.4° | 113.8° |
| N31 | C32 | H322 | 114.3° | 113.9° |
| N31 | C35 | C33 | 88.9° | 86.2° |
| N31 | C35 | H351 | 114.3° | 113.8° |
| N31 | C35 | H352 | 114.3° | 113.9° |
| C32 | C33 | N34 | 111.3° | 113.7° |
| C32 | C33 | C35 | 91.6° | 86.3° |
| C33 | C32 | H321 | 114.3° | 113.7° |
| C33 | C32 | H322 | 114.4° | 113.7° |
| C32 | C33 | H331 | 114.0° | 113.7° |
| N34 | C33 | C35 | 110.2° | 113.8° |
| N34 | C33 | H331 | 114.3° | 113.0° |
| C33 | N34 | H341 | 109.5° | 111.0° |
| C33 | N34 | H4 | 109.5° | 111.1° |
| C35 | C33 | H331 | 113.4° | 113.7° |
| C33 | C35 | H351 | 114.3° | 113.7° |
| C33 | C35 | H352 | 114.3° | 113.7° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H183 | C18 | H181 | 109.5° | 109.4° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H281 | C28 | H1 | 109.5° | 110.5° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H321 | C32 | H322 | 109.5° | 112.9° |
| H351 | C35 | H352 | 109.5° | 113.0° |
| H341 | N34 | H4 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | S17 | O20 | C18 | 117.1° | 131.5° |
| O19 | S17 | O20 | N16 | 123.1° | 116.8° |
| O19 | S17 | C18 | N16 | 121.7° | 111.6° |
| O19 | S17 | N16 | C15 | 174.5° | 56.3° |
| O19 | S17 | C18 | H183 | 180.0° | 51.6° |
| O19 | S17 | C18 | H182 | 60.0° | 171.6° |
| O19 | S17 | C18 | H181 | 60.0° | 68.4° |
| O19 | S17 | N16 | H161 | 53.1° | 123.7° |
| O20 | S17 | C18 | N16 | 118.5° | 111.6° |
| O20 | S17 | N16 | C15 | 53.7° | 175.8° |
| O20 | S17 | C18 | H183 | 60.1° | 171.7° |
| O20 | S17 | C18 | H182 | 179.9° | 51.6° |
| O20 | S17 | C18 | H181 | 59.9° | 68.4° |
| O20 | S17 | N16 | H161 | 67.7° | 4.2° |
| C18 | S17 | N16 | C15 | 69.3° | 59.7° |
| S17 | C18 | H183 | H182 | 120.0° | 120.0° |
| S17 | C18 | H183 | H181 | 120.0° | 120.0° |
| S17 | C18 | H182 | H181 | 120.0° | 120.0° |
| C18 | S17 | N16 | H161 | 169.3° | 120.3° |
| S17 | N16 | C15 | H161 | 121.4° | 180.0° |
| S17 | N16 | C15 | C21 | 80.8° | 35.3° |
| S17 | N16 | C15 | C13 | 95.1° | 144.4° |
| N16 | S17 | C18 | H183 | 58.4° | 60.0° |
| N16 | S17 | C18 | H182 | 61.6° | 60.0° |
| N16 | S17 | C18 | H181 | 178.4° | 180.0° |
| N16 | C15 | C21 | C13 | 175.5° | 179.7° |
| N16 | C15 | C21 | C22 | 178.0° | 180.0° |
| N16 | C15 | C13 | F14 | 3.4° | 0.2° |
| N16 | C15 | C13 | C12 | 178.7° | 179.7° |
| N16 | C15 | C21 | H211 | 2.0° | 0.2° |
| C15 | C21 | C22 | H211 | 180.0° | 179.7° |
| C21 | C15 | C13 | F14 | 179.0° | 180.0° |
| C21 | C15 | C13 | C12 | 5.7° | 0.0° |
| C15 | C21 | C22 | C11 | 1.5° | 0.5° |
| C15 | C21 | C22 | H221 | 178.5° | 180.0° |
| C21 | C15 | N16 | H161 | 40.6° | 144.7° |
| C13 | C15 | C21 | C22 | 2.4° | 0.3° |
| C15 | C13 | F14 | C12 | 175.1° | 180.0° |
| C15 | C13 | C12 | C11 | 8.4° | 0.0° |
| C15 | C13 | C12 | H121 | 171.6° | 180.0° |
| C13 | C15 | C21 | H211 | 177.6° | 180.0° |
| C13 | C15 | N16 | H161 | 143.5° | 35.6° |
| C21 | C22 | C11 | H221 | 180.0° | 179.5° |
| C21 | C22 | C11 | C12 | 4.3° | 0.5° |
| C21 | C22 | C11 | C10 | 178.1° | 179.7° |
| F14 | C13 | C12 | C11 | 175.9° | 180.0° |
| F14 | C13 | C12 | H121 | 4.1° | 0.0° |
| C13 | C12 | C11 | C22 | 8.3° | 0.2° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 173.9° | 180.0° |
| C22 | C11 | C12 | C10 | 177.8° | 179.8° |
| C22 | C11 | C10 | C06 | 140.9° | 115.2° |
| C22 | C11 | C10 | C23 | 40.9° | 64.4° |
| C22 | C11 | C12 | H121 | 171.7° | 179.8° |
| C11 | C22 | C21 | H211 | 178.5° | 179.7° |
| C12 | C11 | C10 | C06 | 41.3° | 65.0° |
| C12 | C11 | C10 | C23 | 136.9° | 115.3° |
| C12 | C11 | C22 | H221 | 175.7° | 180.0° |
| C11 | C10 | C06 | C07 | 8.4° | 0.2° |
| C11 | C10 | C06 | C23 | 178.6° | 179.7° |
| C11 | C10 | C06 | N05 | 176.3° | 179.8° |
| C11 | C10 | C23 | C24 | 3.8° | 0.3° |
| C11 | C10 | C23 | C04 | 178.7° | 179.8° |
| C10 | C11 | C12 | H121 | 6.1° | 0.0° |
| C10 | C11 | C22 | H221 | 1.8° | 0.2° |
| O09 | C07 | C06 | O08 | 170.0° | 179.9° |
| O09 | C07 | C06 | C10 | 38.1° | 0.0° |
| O09 | C07 | C06 | N05 | 136.9° | 180.0° |
| O09 | C07 | O08 | H5 | 0.0° | 0.1° |
| C07 | C06 | C10 | N05 | 175.2° | 180.0° |
| C07 | C06 | C10 | C23 | 173.0° | 180.0° |
| C07 | C06 | N05 | C04 | 172.0° | 180.0° |
| C07 | C06 | N05 | H051 | 8.0° | 0.0° |
| C06 | C07 | O08 | H5 | 169.7° | 180.0° |
| O08 | C07 | C06 | C10 | 151.9° | 180.0° |
| O08 | C07 | C06 | N05 | 33.1° | 0.0° |
| C06 | C10 | C23 | C24 | 177.7° | 180.0° |
| C06 | C10 | C23 | C04 | 0.2° | 0.0° |
| C10 | C06 | N05 | C04 | 3.9° | 0.0° |
| C10 | C06 | N05 | H051 | 176.1° | 180.0° |
| C23 | C10 | C06 | N05 | 2.2° | 0.0° |
| C10 | C23 | C24 | C04 | 177.3° | 179.9° |
| C10 | C23 | C24 | C25 | 175.5° | 180.0° |
| C10 | C23 | C04 | N05 | 2.5° | 0.1° |
| C10 | C23 | C04 | C03 | 177.4° | 180.0° |
| C10 | C23 | C24 | H241 | 4.6° | 0.1° |
| C06 | N05 | C04 | C23 | 3.9° | 0.0° |
| C06 | N05 | C04 | H051 | 180.0° | 180.0° |
| C06 | N05 | C04 | C03 | 176.0° | 179.9° |
| C23 | C24 | C25 | H241 | 180.0° | 179.9° |
| C24 | C23 | C04 | N05 | 179.5° | 180.0° |
| C24 | C23 | C04 | C03 | 0.6° | 0.1° |
| C23 | C24 | C25 | C26 | 3.0° | 0.0° |
| C23 | C24 | C25 | H251 | 177.1° | 179.9° |
| C04 | C23 | C24 | C25 | 1.8° | 0.1° |
| C23 | C04 | N05 | C03 | 179.9° | 179.9° |
| C23 | C04 | C03 | C26 | 0.4° | 0.0° |
| C23 | C04 | C03 | C02 | 179.6° | 180.0° |
| C04 | C23 | C24 | H241 | 178.1° | 180.0° |
| C23 | C04 | N05 | H051 | 176.1° | 180.0° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | C03 | 2.8° | 0.0° |
| C24 | C25 | C26 | H261 | 177.2° | 179.9° |
| N05 | C04 | C03 | C26 | 179.8° | 179.9° |
| N05 | C04 | C03 | C02 | 0.2° | 0.1° |
| C04 | C03 | C26 | C25 | 1.5° | 0.0° |
| C04 | C03 | C26 | C02 | 180.0° | 180.0° |
| C04 | C03 | C02 | N27 | 96.9° | 74.3° |
| C04 | C03 | C02 | C01 | 139.6° | 165.8° |
| C04 | C03 | C02 | H021 | 21.0° | 45.7° |
| C04 | C03 | C26 | H261 | 178.5° | 179.9° |
| C03 | C04 | N05 | H051 | 4.0° | 0.1° |
| C25 | C26 | C03 | H261 | 180.0° | 179.9° |
| C25 | C26 | C03 | C02 | 178.5° | 179.9° |
| C26 | C25 | C24 | H241 | 177.0° | 179.9° |
| O38 | C37 | O36 | N27 | 173.2° | 180.0° |
| O38 | C37 | O36 | C29 | 177.2° | 180.0° |
| O38 | C37 | N27 | C02 | 11.8° | 0.0° |
| O38 | C37 | N27 | C28 | 175.2° | 180.0° |
| C26 | C03 | C02 | N27 | 83.1° | 105.7° |
| C26 | C03 | C02 | C01 | 40.4° | 14.2° |
| C26 | C03 | C02 | H021 | 159.0° | 134.2° |
| C03 | C26 | C25 | H251 | 177.2° | 180.0° |
| C03 | C02 | N27 | C37 | 78.3° | 61.8° |
| C03 | C02 | N27 | C01 | 122.2° | 120.0° |
| C03 | C02 | N27 | H021 | 117.2° | 120.0° |
| C03 | C02 | N27 | C28 | 93.0° | 118.1° |
| C03 | C02 | C01 | H021 | 118.0° | 120.1° |
| C03 | C02 | C01 | H011 | 180.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 60.1° |
| C03 | C02 | C01 | H013 | 60.0° | 180.0° |
| C02 | C03 | C26 | H261 | 1.5° | 0.1° |
| O36 | C37 | N27 | C02 | 175.5° | 180.0° |
| O36 | C37 | N27 | C28 | 2.4° | 0.0° |
| C37 | O36 | C29 | C30 | 176.7° | 118.7° |
| C37 | O36 | C29 | C28 | 4.3° | 0.1° |
| C37 | O36 | C29 | H2 | 86.2° | 118.6° |
| N27 | C37 | O36 | C29 | 4.0° | 0.0° |
| C37 | N27 | C02 | C28 | 171.4° | 179.9° |
| C37 | N27 | C02 | C01 | 159.4° | 58.1° |
| C37 | N27 | C28 | C29 | 0.0° | 0.1° |
| C37 | N27 | C02 | H021 | 38.9° | 178.1° |
| C37 | N27 | C28 | H281 | 118.9° | 118.6° |
| C37 | N27 | C28 | H1 | 119.0° | 118.7° |
| O36 | C29 | C28 | N27 | 2.6° | 0.1° |
| O36 | C29 | C30 | C28 | 178.7° | 114.5° |
| O36 | C29 | C30 | H2 | 90.5° | 122.8° |
| O36 | C29 | C28 | H2 | 90.5° | 118.8° |
| O36 | C29 | C30 | N31 | 179.0° | 70.5° |
| O36 | C29 | C28 | H281 | 121.6° | 118.5° |
| O36 | C29 | C28 | H1 | 116.4° | 118.8° |
| O36 | C29 | C30 | H301 | 60.7° | 169.6° |
| O36 | C29 | C30 | H302 | 58.7° | 49.6° |
| N27 | C02 | C01 | H021 | 120.7° | 120.0° |
| C02 | N27 | C28 | C29 | 172.0° | 180.0° |
| N27 | C02 | C01 | H011 | 58.8° | 59.9° |
| N27 | C02 | C01 | H012 | 61.2° | 180.0° |
| N27 | C02 | C01 | H013 | 178.8° | 60.0° |
| C02 | N27 | C28 | H281 | 53.0° | 61.4° |
| C02 | N27 | C28 | H1 | 69.1° | 61.4° |
| C28 | N27 | C02 | C01 | 29.2° | 122.0° |
| N27 | C28 | C29 | C30 | 178.7° | 118.7° |
| N27 | C28 | C29 | H281 | 119.0° | 118.6° |
| N27 | C28 | C29 | H1 | 119.0° | 118.7° |
| C28 | N27 | C02 | H021 | 149.8° | 2.0° |
| N27 | C28 | H281 | H1 | 123.1° | 122.8° |
| N27 | C28 | C29 | H2 | 87.9° | 118.7° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C30 | C29 | C28 | H2 | 90.7° | 122.7° |
| C29 | C30 | N31 | H301 | 120.3° | 120.0° |
| C29 | C30 | N31 | H302 | 120.3° | 120.1° |
| C29 | C30 | N31 | C32 | 177.5° | 170.0° |
| C29 | C30 | N31 | C35 | 83.0° | 90.6° |
| C30 | C29 | C28 | H281 | 59.7° | 0.0° |
| C30 | C29 | C28 | H1 | 62.4° | 122.7° |
| C29 | C30 | H301 | H302 | 119.0° | 120.0° |
| C28 | C29 | C30 | N31 | 2.3° | 175.0° |
| C29 | C28 | H281 | H1 | 123.0° | 122.7° |
| C28 | C29 | C30 | H301 | 118.1° | 55.0° |
| C28 | C29 | C30 | H302 | 122.6° | 64.9° |
| C30 | N31 | C32 | C35 | 101.1° | 112.9° |
| C30 | N31 | C32 | C33 | 100.0° | 137.6° |
| C30 | N31 | C35 | C33 | 109.6° | 137.6° |
| N31 | C30 | C29 | H2 | 88.5° | 52.3° |
| N31 | C30 | H301 | H302 | 119.0° | 120.0° |
| C30 | N31 | C32 | H321 | 16.3° | 108.1° |
| C30 | N31 | C32 | H322 | 143.7° | 23.3° |
| C30 | N31 | C35 | H351 | 134.0° | 23.3° |
| C30 | N31 | C35 | H352 | 6.7° | 108.1° |
| N31 | C32 | C33 | H321 | 116.3° | 114.4° |
| N31 | C32 | C33 | H322 | 116.3° | 114.5° |
| N31 | C32 | C33 | N34 | 111.3° | 138.2° |
| C32 | N31 | C35 | C33 | 1.1° | 24.7° |
| C32 | N31 | C30 | H301 | 57.1° | 70.0° |
| C32 | N31 | C30 | H302 | 62.2° | 49.9° |
| N31 | C32 | H321 | H322 | 129.8° | 131.9° |
| N31 | C32 | C33 | H331 | 117.7° | 90.6° |
| C32 | N31 | C35 | H351 | 115.3° | 89.6° |
| C32 | N31 | C35 | H352 | 117.4° | 139.0° |
| N31 | C35 | C33 | N34 | 112.3° | 138.1° |
| N31 | C35 | C33 | H351 | 116.4° | 114.3° |
| N31 | C35 | C33 | H352 | 116.3° | 114.4° |
| C35 | N31 | C30 | H301 | 37.4° | 29.4° |
| C35 | N31 | C30 | H302 | 156.7° | 149.3° |
| C35 | N31 | C32 | H321 | 117.4° | 139.0° |
| C35 | N31 | C32 | H322 | 115.2° | 89.6° |
| N31 | C35 | C33 | H331 | 118.2° | 90.6° |
| N31 | C35 | H351 | H352 | 129.7° | 131.8° |
| C32 | C33 | N34 | C35 | 100.1° | 96.8° |
| C32 | C33 | N34 | H331 | 130.8° | 131.6° |
| C32 | C33 | C35 | H331 | 117.1° | 114.3° |
| C33 | C32 | H321 | H322 | 129.8° | 131.6° |
| C32 | C33 | C35 | H351 | 115.2° | 90.6° |
| C32 | C33 | C35 | H352 | 117.5° | 138.1° |
| C32 | C33 | N34 | H341 | 180.0° | 180.0° |
| C32 | C33 | N34 | H4 | 60.0° | 56.0° |
| N34 | C33 | C35 | H331 | 129.5° | 131.3° |
| N34 | C33 | C32 | H321 | 5.0° | 107.5° |
| N34 | C33 | C32 | H322 | 132.4° | 23.7° |
| N34 | C33 | C35 | H351 | 131.3° | 23.7° |
| N34 | C33 | C35 | H352 | 4.0° | 107.5° |
| C33 | N34 | H341 | H4 | 120.0° | 124.0° |
| C35 | C33 | C32 | H321 | 117.4° | 138.1° |
| C35 | C33 | C32 | H322 | 115.2° | 90.7° |
| C33 | C35 | H351 | H352 | 129.8° | 131.6° |
| C35 | C33 | N34 | H341 | 79.8° | 83.3° |
| C35 | C33 | N34 | H4 | 40.1° | 40.7° |
| H183 | C18 | H182 | H181 | 120.0° | 120.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 62.0° | 179.9° |
| H012 | C01 | C02 | H021 | 178.1° | 60.0° |
| H013 | C01 | C02 | H021 | 58.1° | 60.0° |
| H211 | C21 | C22 | H221 | 1.5° | 0.2° |
| H241 | C24 | C25 | H251 | 2.9° | 0.0° |
| H251 | C25 | C26 | H261 | 2.8° | 0.1° |
| H281 | C28 | C29 | H2 | 31.1° | 122.7° |
| H1 | C28 | C29 | H2 | 153.1° | 0.0° |
| H2 | C29 | C30 | H301 | 151.2° | 67.7° |
| H2 | C29 | C30 | H302 | 31.8° | 172.4° |
| H321 | C32 | C33 | H331 | 126.0° | 23.7° |
| H322 | C32 | C33 | H331 | 1.4° | 154.9° |
| H331 | C33 | C35 | H351 | 1.8° | 155.0° |
| H331 | C33 | C35 | H352 | 125.5° | 23.8° |
| H331 | C33 | N34 | H341 | 49.2° | 48.4° |
| H331 | C33 | N34 | H4 | 169.2° | 172.4° |
