YRX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | S16 | doub | 1.42Å | 1.47Å | |
| O19 | S16 | doub | 1.42Å | 1.47Å | |
| S16 | C17 | sing | 1.81Å | 1.83Å | |
| S16 | C15 | sing | 1.81Å | 1.83Å | |
| C15 | C14 | sing | 1.51Å | 1.55Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| F21 | C20 | sing | 1.35Å | 1.37Å | |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.55Å | |
| O09 | C07 | doub | 1.22Å | 1.26Å | |
| C07 | C06 | sing | 1.47Å | 1.53Å | |
| C07 | O08 | sing | 1.35Å | 1.26Å | |
| C10 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C23 | sing | 1.47Å | 1.42Å | Aromatic |
| C06 | N05 | sing | 1.38Å | 1.32Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | C04 | sing | 1.41Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.37Å | 1.40Å | Aromatic |
| N05 | C04 | sing | 1.37Å | 1.34Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| O39 | C38 | doub | 1.22Å | 1.19Å | |
| C03 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.55Å | |
| C38 | O37 | sing | 1.34Å | 1.48Å | |
| C38 | N27 | sing | 1.34Å | 1.49Å | |
| O37 | C29 | sing | 1.46Å | 1.41Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | C28 | sing | 1.54Å | 1.45Å | |
| N27 | C02 | sing | 1.47Å | 1.46Å | |
| N27 | C28 | sing | 1.47Å | 1.40Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C30 | N31 | sing | 1.47Å | 1.47Å | |
| N31 | C32 | sing | 1.48Å | 1.50Å | |
| N31 | C36 | sing | 1.48Å | 1.50Å | |
| C32 | C33 | sing | 1.54Å | 1.52Å | |
| C36 | C33 | sing | 1.54Å | 1.52Å | |
| C33 | N35 | sing | 1.47Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| 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 | H1 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | 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 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N35 | H351 | sing | 1.01Å | 1.00Å | |
| N35 | H352 | 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) |
| O18 | S16 | O19 | 101.6° | 119.2° |
| O18 | S16 | C17 | 111.0° | 108.6° |
| O18 | S16 | C15 | 111.6° | 108.6° |
| O19 | S16 | C17 | 111.8° | 108.6° |
| O19 | S16 | C15 | 111.4° | 108.6° |
| C17 | S16 | C15 | 109.4° | 101.9° |
| S16 | C17 | H173 | 109.5° | 109.5° |
| S16 | C17 | H171 | 109.5° | 109.5° |
| S16 | C17 | H172 | 109.5° | 109.5° |
| S16 | C15 | C14 | 111.3° | 109.5° |
| S16 | C15 | H152 | 109.0° | 109.5° |
| S16 | C15 | H151 | 109.0° | 109.4° |
| C15 | C14 | C13 | 119.3° | 119.9° |
| C15 | C14 | C20 | 121.1° | 119.8° |
| C14 | C15 | H152 | 109.0° | 109.5° |
| C14 | C15 | H151 | 109.0° | 109.4° |
| C13 | C14 | C20 | 119.6° | 120.3° |
| C14 | C13 | C12 | 120.4° | 120.2° |
| C14 | C13 | H131 | 119.8° | 120.0° |
| C14 | C20 | F21 | 121.0° | 120.0° |
| C14 | C20 | C22 | 119.8° | 120.1° |
| F21 | C20 | C22 | 119.2° | 120.0° |
| C13 | C12 | C11 | 119.9° | 119.9° |
| C13 | C12 | H121 | 120.1° | 120.0° |
| C12 | C13 | H131 | 119.8° | 119.9° |
| C20 | C22 | C11 | 120.4° | 119.8° |
| C20 | C22 | H221 | 119.8° | 120.0° |
| C12 | C11 | C22 | 119.8° | 119.8° |
| C12 | C11 | C10 | 121.3° | 120.1° |
| C11 | C12 | H121 | 120.1° | 120.1° |
| C22 | C11 | C10 | 118.8° | 120.1° |
| C11 | C22 | H221 | 119.8° | 120.2° |
| C11 | C10 | C06 | 127.4° | 126.8° |
| C11 | C10 | C23 | 126.8° | 126.8° |
| O09 | C07 | C06 | 119.8° | 120.0° |
| O09 | C07 | O08 | 121.5° | 120.0° |
| C06 | C07 | O08 | 118.6° | 120.0° |
| C07 | C06 | C10 | 127.5° | 125.5° |
| C07 | C06 | N05 | 123.3° | 125.5° |
| C07 | O08 | H5 | 109.5° | 114.0° |
| C06 | C10 | C23 | 105.8° | 106.4° |
| C10 | C06 | N05 | 109.2° | 109.0° |
| C10 | C23 | C24 | 134.7° | 133.6° |
| C10 | C23 | C04 | 106.0° | 106.4° |
| C06 | N05 | C04 | 110.0° | 110.1° |
| C06 | N05 | H051 | 125.0° | 125.0° |
| C24 | C23 | C04 | 119.3° | 120.0° |
| C23 | C24 | C25 | 119.8° | 119.8° |
| C23 | C24 | H241 | 120.1° | 120.1° |
| C23 | C04 | N05 | 109.0° | 108.0° |
| C23 | C04 | C03 | 121.2° | 119.2° |
| C24 | C25 | C26 | 120.6° | 120.5° |
| C25 | C24 | H241 | 120.1° | 120.1° |
| C24 | C25 | H251 | 119.7° | 119.8° |
| N05 | C04 | C03 | 129.7° | 132.8° |
| C04 | N05 | H051 | 125.0° | 124.9° |
| C04 | C03 | C26 | 119.3° | 119.9° |
| C04 | C03 | C02 | 118.7° | 120.0° |
| C25 | C26 | C03 | 119.8° | 120.6° |
| C26 | C25 | H251 | 119.7° | 119.7° |
| C25 | C26 | H261 | 120.1° | 119.7° |
| O39 | C38 | O37 | 125.8° | 123.1° |
| O39 | C38 | N27 | 125.3° | 123.1° |
| C26 | C03 | C02 | 122.0° | 120.1° |
| C03 | C26 | H261 | 120.1° | 119.7° |
| C03 | C02 | N27 | 104.7° | 109.5° |
| C03 | C02 | C01 | 111.7° | 109.4° |
| C03 | C02 | H021 | 108.9° | 109.5° |
| O37 | C38 | N27 | 108.9° | 113.9° |
| C38 | O37 | C29 | 105.3° | 109.5° |
| C38 | N27 | C02 | 126.4° | 125.6° |
| C38 | N27 | C28 | 105.6° | 108.9° |
| O37 | C29 | C30 | 125.3° | 110.5° |
| O37 | C29 | C28 | 110.3° | 104.0° |
| O37 | C29 | H2 | 90.5° | 110.6° |
| C30 | C29 | C28 | 124.4° | 110.5° |
| C29 | C30 | N31 | 111.9° | 109.5° |
| C30 | C29 | H2 | 90.5° | 110.5° |
| C29 | C30 | H301 | 108.9° | 109.5° |
| C29 | C30 | H302 | 108.8° | 109.5° |
| C29 | C28 | N27 | 109.9° | 103.8° |
| C29 | C28 | H1 | 109.4° | 110.6° |
| C29 | C28 | H281 | 109.3° | 110.6° |
| C28 | C29 | H2 | 90.5° | 110.5° |
| C02 | N27 | C28 | 128.0° | 125.6° |
| N27 | C02 | C01 | 111.9° | 109.5° |
| N27 | C02 | H021 | 110.2° | 109.5° |
| N27 | C28 | H1 | 109.3° | 110.5° |
| N27 | C28 | H281 | 109.4° | 110.7° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C01 | C02 | H021 | 109.3° | 109.5° |
| C30 | N31 | C32 | 112.1° | 111.0° |
| C30 | N31 | C36 | 114.5° | 111.0° |
| N31 | C30 | H301 | 108.9° | 109.5° |
| N31 | C30 | H302 | 108.9° | 109.5° |
| C32 | N31 | C36 | 92.8° | 90.8° |
| N31 | C32 | C33 | 84.2° | 86.2° |
| N31 | C32 | H322 | 115.4° | 113.8° |
| N31 | C32 | H321 | 115.4° | 113.9° |
| N31 | C36 | C33 | 84.0° | 86.2° |
| N31 | C36 | H361 | 115.4° | 113.7° |
| N31 | C36 | H362 | 115.4° | 113.9° |
| C32 | C33 | C36 | 91.3° | 86.4° |
| C32 | C33 | N35 | 138.1° | 113.7° |
| C32 | C33 | C34 | 98.1° | 113.8° |
| C33 | C32 | H322 | 115.4° | 113.8° |
| C33 | C32 | H321 | 115.4° | 113.7° |
| C36 | C33 | N35 | 98.2° | 113.7° |
| C36 | C33 | C34 | 145.0° | 113.7° |
| C33 | C36 | H361 | 115.4° | 113.8° |
| C33 | C36 | H362 | 115.4° | 113.8° |
| N35 | C33 | C34 | 96.9° | 113.0° |
| C33 | N35 | H351 | 109.5° | 111.0° |
| C33 | N35 | H352 | 109.5° | 111.0° |
| C33 | C34 | H342 | 109.5° | 109.5° |
| C33 | C34 | H343 | 109.5° | 109.5° |
| C33 | C34 | H341 | 109.5° | 109.4° |
| H173 | C17 | H171 | 109.5° | 109.4° |
| H173 | C17 | H172 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H361 | C36 | H362 | 109.5° | 113.0° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H1 | C28 | H281 | 109.5° | 110.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.4° | 113.0° |
| H342 | C34 | H343 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.4° | 109.5° |
| H343 | C34 | H341 | 109.5° | 109.4° |
| H351 | N35 | H352 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | S16 | O19 | C17 | 118.4° | 124.9° |
| O18 | S16 | O19 | C15 | 118.9° | 125.0° |
| O18 | S16 | C17 | C15 | 123.5° | 114.5° |
| O18 | S16 | C15 | C14 | 174.2° | 65.6° |
| O18 | S16 | C17 | H173 | 180.0° | 54.5° |
| O18 | S16 | C17 | H171 | 60.0° | 174.5° |
| O18 | S16 | C17 | H172 | 60.0° | 65.5° |
| O18 | S16 | C15 | H152 | 65.5° | 54.5° |
| O18 | S16 | C15 | H151 | 53.9° | 174.5° |
| O19 | S16 | C17 | C15 | 123.8° | 114.5° |
| O19 | S16 | C15 | C14 | 73.0° | 65.5° |
| O19 | S16 | C17 | H173 | 67.3° | 174.5° |
| O19 | S16 | C17 | H171 | 172.7° | 54.5° |
| O19 | S16 | C17 | H172 | 52.7° | 65.5° |
| O19 | S16 | C15 | H152 | 47.2° | 174.5° |
| O19 | S16 | C15 | H151 | 166.7° | 54.5° |
| C17 | S16 | C15 | C14 | 51.0° | 180.0° |
| S16 | C17 | H173 | H171 | 120.0° | 120.0° |
| S16 | C17 | H173 | H172 | 120.0° | 120.1° |
| S16 | C17 | H171 | H172 | 120.0° | 120.0° |
| C17 | S16 | C15 | H152 | 171.3° | 60.0° |
| C17 | S16 | C15 | H151 | 69.2° | 60.1° |
| S16 | C15 | C14 | H152 | 120.3° | 120.0° |
| S16 | C15 | C14 | H151 | 120.3° | 119.9° |
| S16 | C15 | C14 | C13 | 91.2° | 90.0° |
| S16 | C15 | C14 | C20 | 89.4° | 90.0° |
| C15 | S16 | C17 | H173 | 56.5° | 60.0° |
| C15 | S16 | C17 | H171 | 63.5° | 60.0° |
| C15 | S16 | C17 | H172 | 176.5° | 180.0° |
| S16 | C15 | H152 | H151 | 119.2° | 120.0° |
| C15 | C14 | C13 | C20 | 179.5° | 180.0° |
| C15 | C14 | C20 | F21 | 0.5° | 0.3° |
| C15 | C14 | C13 | C12 | 179.7° | 180.0° |
| C15 | C14 | C20 | C22 | 179.6° | 180.0° |
| C15 | C14 | C13 | H131 | 0.3° | 0.0° |
| C14 | C15 | H152 | H151 | 119.1° | 120.0° |
| C13 | C14 | C20 | F21 | 180.0° | 179.7° |
| C14 | C13 | C12 | H131 | 180.0° | 180.0° |
| C13 | C14 | C20 | C22 | 0.2° | 0.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.1° |
| C14 | C13 | C12 | H121 | 179.8° | 180.0° |
| C13 | C14 | C15 | H152 | 29.1° | 150.0° |
| C13 | C14 | C15 | H151 | 148.6° | 29.9° |
| C14 | C20 | F21 | C22 | 179.8° | 179.7° |
| C20 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C20 | C22 | C11 | 0.3° | 0.0° |
| C20 | C14 | C13 | H131 | 179.8° | 180.0° |
| C20 | C14 | C15 | H152 | 150.3° | 30.0° |
| C20 | C14 | C15 | H151 | 30.9° | 150.1° |
| C14 | C20 | C22 | H221 | 179.7° | 179.9° |
| F21 | C20 | C22 | C11 | 179.5° | 179.7° |
| F21 | C20 | C22 | H221 | 0.5° | 0.3° |
| C13 | C12 | C11 | H121 | 180.0° | 179.9° |
| C13 | C12 | C11 | C22 | 0.7° | 0.1° |
| C13 | C12 | C11 | C10 | 179.4° | 180.0° |
| C20 | C22 | C11 | C12 | 0.7° | 0.0° |
| C20 | C22 | C11 | H221 | 180.0° | 179.9° |
| C20 | C22 | C11 | C10 | 179.4° | 180.0° |
| C12 | C11 | C22 | C10 | 178.7° | 179.9° |
| C12 | C11 | C10 | C06 | 134.2° | 65.0° |
| C12 | C11 | C10 | C23 | 47.8° | 114.7° |
| C11 | C12 | C13 | H131 | 179.8° | 180.0° |
| C12 | C11 | C22 | H221 | 179.3° | 180.0° |
| C22 | C11 | C10 | C06 | 47.1° | 115.1° |
| C22 | C11 | C10 | C23 | 130.9° | 65.2° |
| C22 | C11 | C12 | H121 | 179.3° | 180.0° |
| C11 | C10 | C06 | C07 | 1.8° | 0.3° |
| C11 | C10 | C06 | C23 | 178.3° | 179.8° |
| C11 | C10 | C06 | N05 | 179.0° | 179.7° |
| C11 | C10 | C23 | C24 | 1.9° | 0.2° |
| C11 | C10 | C23 | C04 | 179.1° | 179.7° |
| C10 | C11 | C12 | H121 | 0.7° | 0.1° |
| C10 | C11 | C22 | H221 | 0.6° | 0.1° |
| O09 | C07 | C06 | O08 | 178.3° | 180.0° |
| O09 | C07 | C06 | C10 | 32.8° | 0.1° |
| O09 | C07 | C06 | N05 | 146.4° | 180.0° |
| O09 | C07 | O08 | H5 | 0.0° | 0.0° |
| C07 | C06 | C10 | N05 | 179.2° | 179.9° |
| C07 | C06 | C10 | C23 | 179.9° | 179.9° |
| C07 | C06 | N05 | C04 | 179.5° | 179.9° |
| C07 | C06 | N05 | H051 | 0.5° | 0.0° |
| C06 | C07 | O08 | H5 | 178.3° | 179.9° |
| O08 | C07 | C06 | C10 | 148.9° | 180.0° |
| O08 | C07 | C06 | N05 | 32.0° | 0.1° |
| C06 | C10 | C23 | C24 | 179.8° | 180.0° |
| C06 | C10 | C23 | C04 | 0.8° | 0.0° |
| C10 | C06 | N05 | C04 | 0.3° | 0.0° |
| C10 | C06 | N05 | H051 | 179.7° | 180.0° |
| C23 | C10 | C06 | N05 | 0.6° | 0.0° |
| C10 | C23 | C24 | C04 | 178.9° | 179.9° |
| C10 | C23 | C24 | C25 | 179.3° | 180.0° |
| C10 | C23 | C04 | N05 | 0.7° | 0.0° |
| C10 | C23 | C04 | C03 | 179.9° | 180.0° |
| C10 | C23 | C24 | H241 | 0.6° | 0.1° |
| C06 | N05 | C04 | C23 | 0.3° | 0.0° |
| C06 | N05 | C04 | H051 | 180.0° | 179.9° |
| C06 | N05 | C04 | C03 | 179.5° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 179.9° |
| C24 | C23 | C04 | N05 | 179.8° | 180.0° |
| C24 | C23 | C04 | C03 | 0.9° | 0.1° |
| C23 | C24 | C25 | C26 | 0.3° | 0.0° |
| C23 | C24 | C25 | H251 | 179.7° | 179.9° |
| C04 | C23 | C24 | C25 | 0.5° | 0.1° |
| C23 | C04 | N05 | C03 | 179.2° | 180.0° |
| C23 | C04 | C03 | C26 | 1.2° | 0.0° |
| C23 | C04 | C03 | C02 | 179.8° | 180.0° |
| C04 | C23 | C24 | H241 | 179.5° | 180.0° |
| C23 | C04 | N05 | H051 | 179.8° | 179.9° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | C03 | 0.6° | 0.0° |
| C24 | C25 | C26 | H261 | 179.4° | 180.0° |
| N05 | C04 | C03 | C26 | 179.7° | 180.0° |
| N05 | C04 | C03 | C02 | 1.1° | 0.0° |
| C04 | C03 | C26 | C25 | 1.0° | 0.0° |
| C04 | C03 | C26 | C02 | 178.6° | 180.0° |
| C04 | C03 | C02 | N27 | 89.1° | 76.0° |
| C04 | C03 | C02 | C01 | 149.6° | 164.1° |
| C04 | C03 | C02 | H021 | 28.8° | 44.1° |
| C04 | C03 | C26 | H261 | 179.0° | 180.0° |
| C03 | C04 | N05 | H051 | 0.5° | 0.0° |
| C25 | C26 | C03 | H261 | 180.0° | 180.0° |
| C25 | C26 | C03 | C02 | 179.6° | 179.9° |
| C26 | C25 | C24 | H241 | 179.7° | 179.9° |
| O39 | C38 | O37 | N27 | 179.6° | 179.8° |
| O39 | C38 | O37 | C29 | 179.6° | 179.8° |
| O39 | C38 | N27 | C02 | 1.9° | 0.2° |
| O39 | C38 | N27 | C28 | 179.7° | 179.8° |
| C26 | C03 | C02 | N27 | 89.5° | 104.1° |
| C26 | C03 | C02 | C01 | 31.8° | 15.9° |
| C26 | C03 | C02 | H021 | 152.6° | 135.9° |
| C03 | C26 | C25 | H251 | 179.4° | 180.0° |
| C03 | C02 | N27 | C38 | 87.7° | 58.2° |
| C03 | C02 | N27 | C01 | 121.2° | 119.9° |
| C03 | C02 | N27 | H021 | 117.0° | 120.1° |
| C03 | C02 | N27 | C28 | 89.7° | 121.8° |
| C03 | C02 | C01 | H021 | 120.6° | 120.1° |
| C03 | C02 | C01 | H011 | 180.0° | 180.0° |
| C03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 60.0° |
| C02 | C03 | C26 | H261 | 0.3° | 0.0° |
| C38 | O37 | C29 | C30 | 179.0° | 118.6° |
| C38 | O37 | C29 | C28 | 0.7° | 0.0° |
| O37 | C38 | N27 | C02 | 178.5° | 180.0° |
| O37 | C38 | N27 | C28 | 0.7° | 0.0° |
| C38 | O37 | C29 | H2 | 90.0° | 118.6° |
| N27 | C38 | O37 | C29 | 0.0° | 0.0° |
| C38 | N27 | C28 | C29 | 1.1° | 0.0° |
| C38 | N27 | C02 | C28 | 177.4° | 180.0° |
| C38 | N27 | C02 | C01 | 151.1° | 61.7° |
| C38 | N27 | C02 | H021 | 29.3° | 178.3° |
| C38 | N27 | C28 | H1 | 121.2° | 118.6° |
| C38 | N27 | C28 | H281 | 119.0° | 118.7° |
| O37 | C29 | C30 | C28 | 178.1° | 114.6° |
| O37 | C29 | C30 | H2 | 90.9° | 122.8° |
| O37 | C29 | C28 | H2 | 90.7° | 118.7° |
| O37 | C29 | C28 | N27 | 1.1° | 0.0° |
| O37 | C29 | C30 | N31 | 60.9° | 65.4° |
| O37 | C29 | C28 | H1 | 121.2° | 118.6° |
| O37 | C29 | C28 | H281 | 118.9° | 118.8° |
| O37 | C29 | C30 | H301 | 59.5° | 54.6° |
| O37 | C29 | C30 | H302 | 178.7° | 174.6° |
| C30 | C29 | C28 | H2 | 90.9° | 122.6° |
| C30 | C29 | C28 | N27 | 179.5° | 118.6° |
| C29 | C30 | N31 | H301 | 120.4° | 120.0° |
| C29 | C30 | N31 | H302 | 120.3° | 120.0° |
| C29 | C30 | N31 | C32 | 168.1° | 170.0° |
| C29 | C30 | N31 | C36 | 64.1° | 90.6° |
| C30 | C29 | C28 | H1 | 60.4° | 122.8° |
| C30 | C29 | C28 | H281 | 59.5° | 0.1° |
| C29 | C30 | H301 | H302 | 118.8° | 120.0° |
| C29 | C28 | N27 | C02 | 178.9° | 180.0° |
| C29 | C28 | N27 | H1 | 120.1° | 118.6° |
| C29 | C28 | N27 | H281 | 120.0° | 118.7° |
| C28 | C29 | C30 | N31 | 120.9° | 180.0° |
| C29 | C28 | H1 | H281 | 119.8° | 122.7° |
| C28 | C29 | C30 | H301 | 118.7° | 60.0° |
| C28 | C29 | C30 | H302 | 0.5° | 60.0° |
| N27 | C02 | C01 | H021 | 122.4° | 120.0° |
| N27 | C02 | C01 | H011 | 63.0° | 60.0° |
| N27 | C02 | C01 | H013 | 57.0° | 60.0° |
| N27 | C02 | C01 | H012 | 177.0° | 180.0° |
| C02 | N27 | C28 | H1 | 61.0° | 61.4° |
| C02 | N27 | C28 | H281 | 58.9° | 61.3° |
| C28 | N27 | C02 | C01 | 31.6° | 118.3° |
| C28 | N27 | C02 | H021 | 153.4° | 1.7° |
| N27 | C28 | H1 | H281 | 119.8° | 122.9° |
| N27 | C28 | C29 | H2 | 89.6° | 118.7° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C30 | N31 | C32 | C36 | 117.9° | 112.9° |
| C30 | N31 | C32 | C33 | 138.9° | 137.6° |
| C30 | N31 | C36 | C33 | 136.9° | 137.6° |
| C30 | N31 | C36 | H361 | 21.5° | 108.1° |
| C30 | N31 | C36 | H362 | 107.8° | 23.2° |
| N31 | C30 | C29 | H2 | 30.0° | 57.4° |
| N31 | C30 | H301 | H302 | 118.9° | 120.0° |
| C30 | N31 | C32 | H322 | 105.7° | 23.2° |
| C30 | N31 | C32 | H321 | 23.5° | 108.1° |
| N31 | C32 | C33 | H322 | 115.4° | 114.3° |
| N31 | C32 | C33 | H321 | 115.4° | 114.4° |
| C32 | N31 | C36 | C33 | 21.0° | 24.7° |
| N31 | C32 | C33 | N35 | 83.1° | 90.6° |
| N31 | C32 | C33 | C34 | 166.9° | 138.1° |
| C32 | N31 | C36 | H361 | 94.3° | 139.0° |
| C32 | N31 | C36 | H362 | 136.3° | 89.6° |
| C32 | N31 | C30 | H301 | 71.5° | 50.0° |
| C32 | N31 | C30 | H302 | 47.8° | 70.0° |
| N31 | C32 | H322 | H321 | 132.1° | 131.8° |
| N31 | C36 | C33 | H361 | 115.3° | 114.3° |
| N31 | C36 | C33 | H362 | 115.4° | 114.4° |
| N31 | C36 | C33 | N35 | 118.4° | 90.6° |
| N31 | C36 | C33 | C34 | 126.9° | 138.1° |
| N31 | C36 | H361 | H362 | 132.2° | 131.8° |
| C36 | N31 | C30 | H301 | 175.5° | 149.3° |
| C36 | N31 | C30 | H302 | 56.2° | 29.3° |
| C36 | N31 | C32 | H322 | 136.4° | 89.6° |
| C36 | N31 | C32 | H321 | 94.3° | 139.0° |
| C32 | C33 | C36 | N35 | 139.1° | 114.3° |
| C32 | C33 | C36 | C34 | 106.1° | 114.4° |
| C32 | C33 | N35 | C34 | 110.4° | 131.7° |
| C32 | C33 | C36 | H361 | 94.6° | 138.0° |
| C32 | C33 | C36 | H362 | 136.1° | 90.7° |
| C33 | C32 | H322 | H321 | 132.1° | 131.6° |
| C32 | C33 | C34 | H342 | 180.0° | 156.7° |
| C32 | C33 | C34 | H343 | 60.0° | 83.2° |
| C32 | C33 | C34 | H341 | 60.0° | 36.7° |
| C32 | C33 | N35 | H351 | 180.0° | 83.3° |
| C32 | C33 | N35 | H352 | 60.0° | 152.8° |
| C36 | C33 | N35 | C34 | 148.4° | 131.6° |
| C33 | C36 | H361 | H362 | 132.2° | 131.7° |
| C36 | C33 | C32 | H322 | 136.1° | 90.6° |
| C36 | C33 | C32 | H321 | 94.7° | 138.1° |
| C36 | C33 | C34 | H342 | 75.9° | 59.9° |
| C36 | C33 | C34 | H343 | 164.1° | 180.0° |
| C36 | C33 | C34 | H341 | 44.1° | 60.1° |
| C36 | C33 | N35 | H351 | 78.7° | 180.0° |
| C36 | C33 | N35 | H352 | 41.2° | 56.0° |
| N35 | C33 | C36 | H361 | 126.3° | 23.6° |
| N35 | C33 | C36 | H362 | 3.0° | 155.0° |
| N35 | C33 | C32 | H322 | 32.3° | 155.1° |
| N35 | C33 | C32 | H321 | 161.5° | 23.8° |
| N35 | C33 | C34 | H342 | 39.2° | 71.7° |
| N35 | C33 | C34 | H343 | 80.8° | 48.4° |
| N35 | C33 | C34 | H341 | 159.2° | 168.4° |
| C33 | N35 | H351 | H352 | 120.0° | 123.9° |
| C34 | C33 | C36 | H361 | 11.6° | 107.6° |
| C34 | C33 | C36 | H362 | 117.8° | 23.7° |
| C34 | C33 | C32 | H322 | 77.7° | 23.8° |
| C34 | C33 | C32 | H321 | 51.6° | 107.5° |
| C33 | C34 | H342 | H343 | 120.0° | 120.1° |
| C33 | C34 | H342 | H341 | 120.0° | 120.0° |
| C33 | C34 | H343 | H341 | 120.0° | 120.0° |
| C34 | C33 | N35 | H351 | 69.6° | 48.4° |
| C34 | C33 | N35 | H352 | 170.4° | 75.6° |
| H173 | C17 | H171 | H172 | 120.0° | 120.0° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 59.4° | 60.0° |
| H013 | C01 | C02 | H021 | 179.4° | 179.9° |
| H012 | C01 | C02 | H021 | 60.6° | 60.0° |
| H121 | C12 | C13 | H131 | 0.2° | 0.1° |
| H241 | C24 | C25 | H251 | 0.3° | 0.0° |
| H251 | C25 | C26 | H261 | 0.6° | 0.1° |
| H1 | C28 | C29 | H2 | 30.5° | 0.2° |
| H281 | C28 | C29 | H2 | 150.4° | 122.5° |
| H2 | C29 | C30 | H301 | 150.4° | 177.4° |
| H2 | C29 | C30 | H302 | 90.4° | 62.6° |
| H342 | C34 | H343 | H341 | 120.0° | 120.0° |
