XQE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | S16 | doub | 1.42Å | 1.46Å | |
| S16 | O18 | doub | 1.42Å | 1.47Å | |
| S16 | C17 | sing | 1.81Å | 1.81Å | |
| S16 | C15 | sing | 1.81Å | 1.83Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| F21 | C20 | sing | 1.35Å | 1.36Å | |
| C14 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.52Å | |
| O08 | C07 | doub | 1.22Å | 1.27Å | |
| C07 | O09 | sing | 1.35Å | 1.25Å | |
| C07 | C06 | sing | 1.47Å | 1.52Å | |
| C10 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C23 | sing | 1.47Å | 1.41Å | Aromatic |
| C06 | N05 | sing | 1.38Å | 1.32Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C23 | C04 | sing | 1.41Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.37Å | 1.39Å | Aromatic |
| N05 | C04 | sing | 1.38Å | 1.34Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| O33 | C32 | doub | 1.21Å | 1.19Å | |
| C03 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.54Å | |
| C28 | C29 | doub | 1.35Å | 1.43Å | Aromatic |
| C28 | N27 | sing | 1.35Å | 1.33Å | Aromatic |
| C32 | N31 | sing | 1.35Å | 1.45Å | |
| C32 | C34 | sing | 1.51Å | 1.53Å | |
| C30 | N31 | sing | 1.46Å | 1.45Å | |
| C30 | C29 | sing | 1.51Å | 1.52Å | |
| N35 | C34 | sing | 1.47Å | 1.45Å | |
| C34 | C36 | sing | 1.53Å | 1.52Å | |
| C29 | N38 | sing | 1.34Å | 1.33Å | Aromatic |
| C02 | N27 | sing | 1.46Å | 1.45Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| N27 | N39 | sing | 1.29Å | 1.32Å | Aromatic |
| N38 | N39 | doub | 1.29Å | 1.32Å | Aromatic |
| C36 | O37 | sing | 1.43Å | 1.40Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | 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 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | 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 | H281 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å | |
| N35 | H352 | sing | 1.01Å | 1.00Å | |
| N35 | H351 | sing | 1.01Å | 1.00Å | |
| O09 | H2 | sing | 0.97Å | 0.95Å | |
| O37 | H371 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | S16 | O18 | 102.8° | 119.2° |
| O19 | S16 | C17 | 112.7° | 108.6° |
| O19 | S16 | C15 | 112.3° | 108.6° |
| O18 | S16 | C17 | 110.1° | 108.6° |
| O18 | S16 | C15 | 111.2° | 108.5° |
| C17 | S16 | C15 | 107.7° | 101.9° |
| S16 | C17 | H171 | 109.5° | 109.5° |
| S16 | C17 | H172 | 109.4° | 109.5° |
| S16 | C17 | H173 | 109.5° | 109.5° |
| S16 | C15 | C14 | 108.6° | 109.5° |
| S16 | C15 | H151 | 109.7° | 109.4° |
| S16 | C15 | H152 | 109.7° | 109.5° |
| C15 | C14 | C20 | 120.8° | 119.8° |
| C15 | C14 | C13 | 120.5° | 119.9° |
| C14 | C15 | H151 | 109.7° | 109.5° |
| C14 | C15 | H152 | 109.7° | 109.5° |
| F21 | C20 | C14 | 119.3° | 119.9° |
| F21 | C20 | C22 | 118.7° | 120.0° |
| C20 | C14 | C13 | 118.7° | 120.3° |
| C14 | C20 | C22 | 122.0° | 120.1° |
| C14 | C13 | C12 | 119.7° | 120.2° |
| C14 | C13 | H131 | 120.1° | 119.9° |
| C20 | C22 | C11 | 119.0° | 119.9° |
| C20 | C22 | H221 | 120.5° | 120.1° |
| C13 | C12 | C11 | 120.7° | 119.9° |
| C13 | C12 | H121 | 119.6° | 120.1° |
| C12 | C13 | H131 | 120.1° | 119.9° |
| C22 | C11 | C12 | 119.8° | 119.7° |
| C22 | C11 | C10 | 121.2° | 120.2° |
| C11 | C22 | H221 | 120.5° | 120.0° |
| C12 | C11 | C10 | 119.0° | 120.1° |
| C11 | C12 | H121 | 119.6° | 120.0° |
| C11 | C10 | C06 | 125.6° | 126.7° |
| C11 | C10 | C23 | 127.7° | 126.8° |
| O08 | C07 | O09 | 120.9° | 120.0° |
| O08 | C07 | C06 | 119.8° | 120.0° |
| O09 | C07 | C06 | 119.3° | 120.0° |
| C07 | O09 | H2 | 109.5° | 114.0° |
| C07 | C06 | C10 | 125.9° | 125.5° |
| C07 | C06 | N05 | 125.8° | 125.5° |
| C06 | C10 | C23 | 106.7° | 106.5° |
| C10 | C06 | N05 | 108.4° | 109.0° |
| C10 | C23 | C24 | 134.0° | 133.6° |
| C10 | C23 | C04 | 106.1° | 106.5° |
| C06 | N05 | C04 | 110.6° | 110.1° |
| C06 | N05 | H051 | 124.7° | 124.9° |
| C24 | C23 | C04 | 119.8° | 120.0° |
| C23 | C24 | C25 | 119.8° | 119.8° |
| C23 | C24 | H241 | 120.1° | 120.1° |
| C23 | C04 | N05 | 108.2° | 108.0° |
| C23 | C04 | C03 | 120.6° | 119.2° |
| C24 | C25 | C26 | 120.4° | 120.5° |
| C25 | C24 | H241 | 120.1° | 120.1° |
| C24 | C25 | H251 | 119.8° | 119.8° |
| N05 | C04 | C03 | 131.2° | 132.8° |
| C04 | N05 | H051 | 124.7° | 125.0° |
| C04 | C03 | C26 | 119.5° | 119.8° |
| C04 | C03 | C02 | 119.2° | 120.1° |
| C25 | C26 | C03 | 119.9° | 120.7° |
| C26 | C25 | H251 | 119.8° | 119.7° |
| C25 | C26 | H261 | 120.0° | 119.6° |
| O33 | C32 | N31 | 120.9° | 120.0° |
| O33 | C32 | C34 | 120.7° | 120.0° |
| C26 | C03 | C02 | 121.3° | 120.1° |
| C03 | C26 | H261 | 120.1° | 119.7° |
| C03 | C02 | N27 | 110.2° | 109.5° |
| C03 | C02 | C01 | 111.0° | 109.5° |
| C03 | C02 | H021 | 108.1° | 109.5° |
| C29 | C28 | N27 | 105.4° | 106.2° |
| C28 | C29 | C30 | 126.2° | 126.8° |
| C28 | C29 | N38 | 106.7° | 106.5° |
| C29 | C28 | H281 | 127.3° | 126.9° |
| C28 | N27 | C02 | 125.0° | 125.9° |
| C28 | N27 | N39 | 109.0° | 108.2° |
| N27 | C28 | H281 | 127.3° | 126.9° |
| N31 | C32 | C34 | 118.4° | 120.0° |
| C32 | N31 | C30 | 122.9° | 120.0° |
| C32 | N31 | H311 | 118.5° | 120.0° |
| C32 | C34 | N35 | 109.0° | 109.4° |
| C32 | C34 | C36 | 112.3° | 109.4° |
| C32 | C34 | H341 | 107.9° | 109.5° |
| N31 | C30 | C29 | 114.3° | 109.5° |
| N31 | C30 | H301 | 108.3° | 109.5° |
| N31 | C30 | H302 | 108.2° | 109.5° |
| C30 | N31 | H311 | 118.5° | 120.0° |
| C30 | C29 | N38 | 127.1° | 126.7° |
| C29 | C30 | H301 | 108.2° | 109.5° |
| C29 | C30 | H302 | 108.2° | 109.4° |
| N35 | C34 | C36 | 110.5° | 109.5° |
| N35 | C34 | H341 | 108.9° | 109.5° |
| C34 | N35 | H352 | 109.5° | 111.0° |
| C34 | N35 | H351 | 109.5° | 111.0° |
| C34 | C36 | O37 | 109.7° | 109.4° |
| C36 | C34 | H341 | 108.1° | 109.5° |
| C34 | C36 | H361 | 109.4° | 109.5° |
| C34 | C36 | H362 | 109.4° | 109.4° |
| C29 | N38 | N39 | 108.3° | 108.9° |
| N27 | C02 | C01 | 110.2° | 109.4° |
| C02 | N27 | N39 | 126.0° | 125.9° |
| N27 | C02 | H021 | 109.1° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.1° | 109.5° |
| N27 | N39 | N38 | 110.5° | 110.2° |
| O37 | C36 | H361 | 109.4° | 109.5° |
| O37 | C36 | H362 | 109.4° | 109.5° |
| C36 | O37 | H371 | 109.5° | 114.0° |
| H013 | C01 | H011 | 109.4° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H171 | C17 | H173 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.4° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H352 | N35 | H351 | 109.4° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | S16 | O18 | C17 | 120.3° | 125.0° |
| O19 | S16 | O18 | C15 | 120.4° | 125.0° |
| O19 | S16 | C17 | C15 | 124.5° | 114.5° |
| O19 | S16 | C15 | C14 | 166.6° | 65.5° |
| O19 | S16 | C15 | H151 | 46.8° | 54.5° |
| O19 | S16 | C15 | H152 | 73.5° | 174.5° |
| O19 | S16 | C17 | H171 | 180.0° | 54.5° |
| O19 | S16 | C17 | H172 | 60.0° | 174.5° |
| O19 | S16 | C17 | H173 | 60.0° | 65.6° |
| O18 | S16 | C17 | C15 | 121.4° | 114.5° |
| O18 | S16 | C15 | C14 | 52.0° | 65.5° |
| O18 | S16 | C15 | H151 | 67.8° | 174.5° |
| O18 | S16 | C15 | H152 | 171.9° | 54.5° |
| O18 | S16 | C17 | H171 | 65.9° | 174.5° |
| O18 | S16 | C17 | H172 | 174.1° | 54.5° |
| O18 | S16 | C17 | H173 | 54.1° | 65.5° |
| C17 | S16 | C15 | C14 | 68.7° | 180.0° |
| C17 | S16 | C15 | H151 | 171.5° | 60.0° |
| C17 | S16 | C15 | H152 | 51.2° | 60.0° |
| S16 | C17 | H171 | H172 | 120.0° | 120.0° |
| S16 | C17 | H171 | H173 | 120.0° | 120.1° |
| S16 | C17 | H172 | H173 | 120.0° | 120.0° |
| S16 | C15 | C14 | H151 | 119.8° | 119.9° |
| S16 | C15 | C14 | H152 | 119.8° | 120.0° |
| S16 | C15 | C14 | C20 | 90.6° | 90.0° |
| S16 | C15 | C14 | C13 | 89.4° | 89.7° |
| S16 | C15 | H151 | H152 | 120.4° | 120.0° |
| C15 | S16 | C17 | H171 | 55.5° | 60.0° |
| C15 | S16 | C17 | H172 | 64.5° | 60.0° |
| C15 | S16 | C17 | H173 | 175.5° | 179.9° |
| C15 | C14 | C20 | F21 | 0.0° | 0.2° |
| C15 | C14 | C20 | C13 | 179.9° | 179.8° |
| C15 | C14 | C20 | C22 | 179.4° | 180.0° |
| C15 | C14 | C13 | C12 | 179.6° | 179.7° |
| C15 | C14 | C13 | H131 | 0.4° | 0.3° |
| C14 | C15 | H151 | H152 | 120.4° | 120.0° |
| F21 | C20 | C14 | C22 | 179.4° | 179.8° |
| F21 | C20 | C14 | C13 | 180.0° | 180.0° |
| F21 | C20 | C22 | C11 | 179.2° | 179.7° |
| F21 | C20 | C22 | H221 | 0.8° | 0.3° |
| C20 | C14 | C13 | C12 | 0.3° | 0.0° |
| C14 | C20 | C22 | C11 | 0.2° | 0.6° |
| C20 | C14 | C13 | H131 | 179.7° | 179.9° |
| C20 | C14 | C15 | H151 | 29.3° | 150.0° |
| C20 | C14 | C15 | H152 | 149.6° | 30.0° |
| C14 | C20 | C22 | H221 | 179.8° | 180.0° |
| C13 | C14 | C20 | C22 | 0.6° | 0.3° |
| C14 | C13 | C12 | H131 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.7° | 0.0° |
| C14 | C13 | C12 | H121 | 179.3° | 180.0° |
| C13 | C14 | C15 | H151 | 150.8° | 30.2° |
| C13 | C14 | C15 | H152 | 30.5° | 150.2° |
| C20 | C22 | C11 | H221 | 180.0° | 179.4° |
| C20 | C22 | C11 | C12 | 1.3° | 0.6° |
| C20 | C22 | C11 | C10 | 179.1° | 179.7° |
| C13 | C12 | C11 | C22 | 1.6° | 0.3° |
| C13 | C12 | C11 | H121 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 179.4° | 180.0° |
| C22 | C11 | C12 | C10 | 177.9° | 179.7° |
| C22 | C11 | C10 | C06 | 142.6° | 115.3° |
| C22 | C11 | C10 | C23 | 39.1° | 64.7° |
| C22 | C11 | C12 | H121 | 178.5° | 179.7° |
| C12 | C11 | C10 | C06 | 39.6° | 65.0° |
| C12 | C11 | C10 | C23 | 138.7° | 115.0° |
| C11 | C12 | C13 | H131 | 179.3° | 180.0° |
| C12 | C11 | C22 | H221 | 178.7° | 180.0° |
| C11 | C10 | C06 | C07 | 2.0° | 0.0° |
| C11 | C10 | C06 | C23 | 178.6° | 180.0° |
| C11 | C10 | C06 | N05 | 178.6° | 180.0° |
| C11 | C10 | C23 | C24 | 2.2° | 0.0° |
| C11 | C10 | C23 | C04 | 178.9° | 180.0° |
| C10 | C11 | C12 | H121 | 0.6° | 0.1° |
| C10 | C11 | C22 | H221 | 0.9° | 0.3° |
| O08 | C07 | O09 | C06 | 177.2° | 180.0° |
| O08 | C07 | C06 | C10 | 43.5° | 0.1° |
| O08 | C07 | C06 | N05 | 135.9° | 180.0° |
| O08 | C07 | O09 | H2 | 0.0° | 0.1° |
| O09 | C07 | C06 | C10 | 139.3° | 179.9° |
| O09 | C07 | C06 | N05 | 41.4° | 0.0° |
| C07 | C06 | C10 | N05 | 179.4° | 179.9° |
| C07 | C06 | C10 | C23 | 179.4° | 180.0° |
| C07 | C06 | N05 | C04 | 179.1° | 180.0° |
| C07 | C06 | N05 | H051 | 0.9° | 0.1° |
| C06 | C07 | O09 | H2 | 177.2° | 179.9° |
| C06 | C10 | C23 | C24 | 179.3° | 180.0° |
| C06 | C10 | C23 | C04 | 0.3° | 0.0° |
| C10 | C06 | N05 | C04 | 0.4° | 0.0° |
| C10 | C06 | N05 | H051 | 179.6° | 180.0° |
| C23 | C10 | C06 | N05 | 0.0° | 0.0° |
| C10 | C23 | C24 | C04 | 178.8° | 180.0° |
| C10 | C23 | C24 | C25 | 179.3° | 180.0° |
| C10 | C23 | C04 | N05 | 0.6° | 0.0° |
| C10 | C23 | C04 | C03 | 179.5° | 180.0° |
| C10 | C23 | C24 | H241 | 0.7° | 0.0° |
| C06 | N05 | C04 | C23 | 0.6° | 0.0° |
| C06 | N05 | C04 | H051 | 180.0° | 180.0° |
| C06 | N05 | C04 | C03 | 179.4° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C24 | C23 | C04 | N05 | 179.7° | 180.0° |
| C24 | C23 | C04 | C03 | 0.3° | 0.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.1° |
| C23 | C24 | C25 | H251 | 179.8° | 180.0° |
| C04 | C23 | C24 | C25 | 0.5° | 0.0° |
| C23 | C04 | N05 | C03 | 180.0° | 180.0° |
| C23 | C04 | C03 | C26 | 0.1° | 0.0° |
| C23 | C04 | C03 | C02 | 179.3° | 179.7° |
| C04 | C23 | C24 | H241 | 179.6° | 180.0° |
| C23 | C04 | N05 | H051 | 179.4° | 180.0° |
| C24 | C25 | C26 | H251 | 180.0° | 179.9° |
| C24 | C25 | C26 | C03 | 0.2° | 0.1° |
| C24 | C25 | C26 | H261 | 179.8° | 179.8° |
| N05 | C04 | C03 | C26 | 179.9° | 180.0° |
| N05 | C04 | C03 | C02 | 0.7° | 0.3° |
| C04 | C03 | C26 | C25 | 0.3° | 0.0° |
| C04 | C03 | C26 | C02 | 179.2° | 179.7° |
| C04 | C03 | C02 | N27 | 108.1° | 120.3° |
| C04 | C03 | C02 | C01 | 129.5° | 119.8° |
| C04 | C03 | C02 | H021 | 11.1° | 0.3° |
| C04 | C03 | C26 | H261 | 179.6° | 179.7° |
| C03 | C04 | N05 | H051 | 0.6° | 0.0° |
| C25 | C26 | C03 | H261 | 180.0° | 179.7° |
| C25 | C26 | C03 | C02 | 179.5° | 179.7° |
| C26 | C25 | C24 | H241 | 179.8° | 180.0° |
| O33 | C32 | N31 | C34 | 179.4° | 179.9° |
| O33 | C32 | N31 | C30 | 1.0° | 0.0° |
| O33 | C32 | C34 | N35 | 14.4° | 19.9° |
| O33 | C32 | C34 | C36 | 137.2° | 100.0° |
| O33 | C32 | C34 | H341 | 103.8° | 139.9° |
| O33 | C32 | N31 | H311 | 179.0° | 180.0° |
| C26 | C03 | C02 | N27 | 72.7° | 60.0° |
| C26 | C03 | C02 | C01 | 49.7° | 60.0° |
| C26 | C03 | C02 | H021 | 168.1° | 180.0° |
| C03 | C26 | C25 | H251 | 179.8° | 180.0° |
| C03 | C02 | N27 | C28 | 71.2° | 85.0° |
| C03 | C02 | N27 | C01 | 122.8° | 120.0° |
| C03 | C02 | N27 | H021 | 118.6° | 120.0° |
| C03 | C02 | C01 | H021 | 118.4° | 120.0° |
| C03 | C02 | N27 | N39 | 109.9° | 95.1° |
| C03 | C02 | C01 | H013 | 180.0° | 60.0° |
| C03 | C02 | C01 | H011 | 60.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 180.0° |
| C02 | C03 | C26 | H261 | 0.5° | 0.0° |
| C29 | C28 | N27 | H281 | 180.0° | 179.7° |
| C28 | C29 | C30 | N31 | 154.6° | 95.0° |
| C28 | C29 | C30 | N38 | 178.7° | 180.0° |
| C29 | C28 | N27 | C02 | 180.0° | 180.0° |
| C29 | C28 | N27 | N39 | 0.9° | 0.0° |
| C28 | C29 | N38 | N39 | 0.6° | 0.1° |
| C28 | C29 | C30 | H301 | 33.9° | 144.9° |
| C28 | C29 | C30 | H302 | 84.7° | 25.0° |
| N27 | C28 | C29 | C30 | 179.9° | 180.0° |
| N27 | C28 | C29 | N38 | 1.0° | 0.0° |
| C28 | N27 | C02 | N39 | 178.9° | 180.0° |
| C28 | N27 | C02 | C01 | 165.9° | 35.0° |
| C28 | N27 | N39 | N38 | 0.6° | 0.0° |
| C28 | N27 | C02 | H021 | 47.3° | 155.0° |
| C32 | N31 | C30 | H311 | 180.0° | 180.0° |
| C32 | N31 | C30 | C29 | 63.9° | 180.0° |
| N31 | C32 | C34 | N35 | 166.2° | 160.0° |
| N31 | C32 | C34 | C36 | 43.3° | 80.0° |
| C32 | N31 | C30 | H301 | 56.9° | 59.9° |
| C32 | N31 | C30 | H302 | 175.4° | 60.0° |
| N31 | C32 | C34 | H341 | 75.7° | 40.0° |
| C34 | C32 | N31 | C30 | 178.4° | 179.9° |
| C32 | C34 | N35 | C36 | 123.9° | 119.9° |
| C32 | C34 | N35 | H341 | 117.5° | 120.0° |
| C32 | C34 | C36 | H341 | 118.9° | 120.0° |
| C32 | C34 | C36 | O37 | 80.3° | 175.0° |
| C32 | C34 | C36 | H361 | 39.7° | 64.9° |
| C32 | C34 | C36 | H362 | 159.6° | 55.1° |
| C34 | C32 | N31 | H311 | 1.5° | 0.0° |
| C32 | C34 | N35 | H352 | 180.0° | 64.0° |
| C32 | C34 | N35 | H351 | 60.0° | 60.0° |
| N31 | C30 | C29 | H301 | 120.7° | 120.1° |
| N31 | C30 | C29 | H302 | 120.7° | 120.0° |
| N31 | C30 | C29 | N38 | 26.6° | 85.0° |
| N31 | C30 | H301 | H302 | 117.8° | 120.0° |
| C30 | C29 | N38 | N39 | 179.5° | 179.9° |
| C30 | C29 | C28 | H281 | 0.1° | 0.2° |
| C29 | C30 | H301 | H302 | 117.8° | 119.9° |
| C29 | C30 | N31 | H311 | 116.2° | 0.1° |
| N35 | C34 | C36 | H341 | 119.1° | 120.1° |
| N35 | C34 | C36 | O37 | 41.7° | 65.0° |
| N35 | C34 | C36 | H361 | 161.7° | 55.0° |
| N35 | C34 | C36 | H362 | 78.4° | 175.0° |
| C34 | N35 | H352 | H351 | 120.0° | 124.0° |
| C34 | C36 | O37 | H361 | 120.0° | 120.0° |
| C34 | C36 | O37 | H362 | 120.0° | 119.9° |
| C34 | C36 | H361 | H362 | 119.9° | 120.0° |
| C36 | C34 | N35 | H352 | 56.1° | 176.0° |
| C36 | C34 | N35 | H351 | 176.1° | 59.9° |
| C34 | C36 | O37 | H371 | 180.0° | 180.0° |
| C29 | N38 | N39 | N27 | 0.0° | 0.1° |
| N38 | C29 | C28 | H281 | 179.0° | 179.8° |
| N38 | C29 | C30 | H301 | 147.4° | 35.1° |
| N38 | C29 | C30 | H302 | 94.1° | 155.0° |
| N27 | C02 | C01 | H021 | 119.2° | 120.0° |
| C02 | N27 | N39 | N38 | 179.6° | 180.0° |
| N27 | C02 | C01 | H013 | 57.6° | 60.0° |
| N27 | C02 | C01 | H011 | 62.4° | 180.0° |
| N27 | C02 | C01 | H012 | 177.6° | 60.0° |
| C02 | N27 | C28 | H281 | 0.0° | 0.2° |
| C01 | C02 | N27 | N39 | 13.0° | 145.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.1° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N39 | N27 | C02 | H021 | 131.5° | 25.0° |
| N39 | N27 | C28 | H281 | 179.1° | 179.7° |
| O37 | C36 | C34 | H341 | 160.7° | 55.0° |
| O37 | C36 | H361 | H362 | 119.9° | 120.0° |
| H013 | C01 | H011 | H012 | 120.0° | 119.9° |
| H013 | C01 | C02 | H021 | 61.6° | 180.0° |
| H011 | C01 | C02 | H021 | 178.4° | 60.0° |
| H012 | C01 | C02 | H021 | 58.4° | 60.0° |
| H121 | C12 | C13 | H131 | 0.7° | 0.1° |
| H171 | C17 | H172 | H173 | 120.0° | 119.9° |
| H241 | C24 | C25 | H251 | 0.2° | 0.0° |
| H251 | C25 | C26 | H261 | 0.2° | 0.3° |
| H301 | C30 | N31 | H311 | 123.1° | 120.1° |
| H302 | C30 | N31 | H311 | 4.5° | 120.0° |
| H341 | C34 | C36 | H361 | 79.2° | 175.1° |
| H341 | C34 | C36 | H362 | 40.7° | 64.9° |
| H341 | C34 | N35 | H352 | 62.5° | 56.0° |
| H341 | C34 | N35 | H351 | 57.5° | 180.0° |
| H361 | C36 | O37 | H371 | 59.9° | 60.0° |
| H362 | C36 | O37 | H371 | 60.0° | 60.0° |
