XQ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | S16 | doub | 1.42Å | 1.47Å | |
| S16 | O19 | doub | 1.42Å | 1.46Å | |
| S16 | C17 | sing | 1.81Å | 1.82Å | |
| S16 | C15 | sing | 1.81Å | 1.83Å | |
| C15 | C14 | sing | 1.51Å | 1.54Å | |
| 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 | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C11 | doub | 1.40Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.54Å | |
| O09 | C07 | doub | 1.22Å | 1.28Å | |
| C07 | C06 | sing | 1.47Å | 1.51Å | |
| C07 | O08 | sing | 1.35Å | 1.25Å | |
| C10 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C23 | sing | 1.47Å | 1.41Å | Aromatic |
| C06 | N05 | sing | 1.38Å | 1.31Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C23 | C04 | sing | 1.41Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.37Å | 1.39Å | Aromatic |
| N05 | C04 | sing | 1.37Å | 1.33Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.55Å | |
| N36 | N35 | doub | 1.29Å | 1.31Å | Aromatic |
| N36 | N27 | sing | 1.29Å | 1.31Å | Aromatic |
| N35 | C29 | sing | 1.34Å | 1.33Å | Aromatic |
| N34 | C32 | doub | 1.30Å | 1.44Å | |
| C02 | N27 | sing | 1.47Å | 1.45Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| N27 | C28 | sing | 1.35Å | 1.33Å | Aromatic |
| N31 | C32 | sing | 1.37Å | 1.45Å | |
| N31 | C30 | sing | 1.47Å | 1.44Å | |
| C29 | C28 | doub | 1.35Å | 1.44Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C32 | N33 | sing | 1.37Å | 1.25Å | |
| 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 | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| 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 | |
| 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 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å | |
| N33 | H1 | sing | 0.97Å | 1.00Å | |
| N33 | H331 | sing | 0.97Å | 1.00Å | |
| N34 | H341 | sing | 0.97Å | 1.00Å | |
| O08 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | S16 | O19 | 107.7° | 119.2° |
| O18 | S16 | C17 | 107.4° | 108.6° |
| O18 | S16 | C15 | 116.8° | 108.6° |
| O19 | S16 | C17 | 109.9° | 108.6° |
| O19 | S16 | C15 | 109.2° | 108.6° |
| C17 | S16 | C15 | 105.6° | 101.9° |
| S16 | C17 | H172 | 109.5° | 109.5° |
| S16 | C17 | H173 | 109.4° | 109.5° |
| S16 | C17 | H171 | 109.5° | 109.5° |
| S16 | C15 | C14 | 109.3° | 109.5° |
| S16 | C15 | H152 | 109.5° | 109.5° |
| S16 | C15 | H151 | 109.5° | 109.5° |
| C15 | C14 | C20 | 120.9° | 119.9° |
| C15 | C14 | C13 | 120.7° | 119.8° |
| C14 | C15 | H152 | 109.5° | 109.5° |
| C14 | C15 | H151 | 109.5° | 109.5° |
| F21 | C20 | C14 | 119.3° | 119.9° |
| F21 | C20 | C22 | 119.3° | 120.0° |
| C20 | C14 | C13 | 118.5° | 120.3° |
| C14 | C20 | C22 | 121.4° | 120.1° |
| C14 | C13 | C12 | 120.1° | 120.2° |
| C14 | C13 | H131 | 119.9° | 120.0° |
| C20 | C22 | C11 | 120.1° | 119.8° |
| C20 | C22 | H221 | 119.9° | 120.1° |
| C13 | C12 | C11 | 121.0° | 119.9° |
| C13 | C12 | H121 | 119.5° | 120.0° |
| C12 | C13 | H131 | 119.9° | 119.9° |
| C22 | C11 | C12 | 119.0° | 119.7° |
| C22 | C11 | C10 | 121.6° | 120.1° |
| C11 | C22 | H221 | 120.0° | 120.1° |
| C12 | C11 | C10 | 119.4° | 120.2° |
| C11 | C12 | H121 | 119.5° | 120.1° |
| C11 | C10 | C06 | 126.3° | 126.8° |
| C11 | C10 | C23 | 128.4° | 126.7° |
| O09 | C07 | C06 | 117.3° | 120.0° |
| O09 | C07 | O08 | 122.7° | 120.0° |
| C06 | C07 | O08 | 119.1° | 120.0° |
| C07 | C06 | C10 | 128.4° | 125.5° |
| C07 | C06 | N05 | 122.0° | 125.5° |
| C07 | O08 | H2 | 109.5° | 114.0° |
| C06 | C10 | C23 | 105.3° | 106.5° |
| C10 | C06 | N05 | 109.5° | 109.0° |
| C10 | C23 | C24 | 133.9° | 133.6° |
| C10 | C23 | C04 | 106.5° | 106.4° |
| C06 | N05 | C04 | 110.3° | 110.1° |
| C06 | N05 | H051 | 124.8° | 124.9° |
| C24 | C23 | C04 | 119.6° | 120.0° |
| C23 | C24 | C25 | 119.4° | 119.8° |
| C23 | C24 | H241 | 120.3° | 120.2° |
| C23 | C04 | N05 | 108.4° | 108.0° |
| C23 | C04 | C03 | 121.5° | 119.1° |
| C24 | C25 | C26 | 120.6° | 120.5° |
| C25 | C24 | H241 | 120.3° | 120.1° |
| C24 | C25 | H251 | 119.7° | 119.8° |
| N05 | C04 | C03 | 130.1° | 132.9° |
| C04 | N05 | H051 | 124.9° | 125.0° |
| C04 | C03 | C26 | 118.3° | 119.9° |
| C04 | C03 | C02 | 119.2° | 120.1° |
| C25 | C26 | C03 | 120.6° | 120.6° |
| C26 | C25 | H251 | 119.7° | 119.7° |
| C25 | C26 | H261 | 119.7° | 119.7° |
| C26 | C03 | C02 | 122.5° | 120.0° |
| C03 | C26 | H261 | 119.7° | 119.7° |
| C03 | C02 | N27 | 110.1° | 109.5° |
| C03 | C02 | C01 | 111.1° | 109.5° |
| C03 | C02 | H021 | 106.0° | 109.5° |
| N35 | N36 | N27 | 110.9° | 110.2° |
| N36 | N35 | C29 | 108.2° | 108.9° |
| N36 | N27 | C02 | 118.8° | 125.9° |
| N36 | N27 | C28 | 109.8° | 108.3° |
| N35 | C29 | C28 | 107.0° | 106.5° |
| N35 | C29 | C30 | 124.9° | 126.8° |
| N34 | C32 | N31 | 118.6° | 119.9° |
| N34 | C32 | N33 | 118.6° | 120.0° |
| C32 | N34 | H341 | 112.0° | 120.0° |
| N27 | C02 | C01 | 115.6° | 109.5° |
| C02 | N27 | C28 | 131.3° | 125.9° |
| N27 | C02 | H021 | 107.1° | 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 | 106.3° | 109.4° |
| N27 | C28 | C29 | 104.1° | 106.2° |
| N27 | C28 | H281 | 127.9° | 126.9° |
| C32 | N31 | C30 | 120.4° | 119.9° |
| N31 | C32 | N33 | 122.7° | 120.1° |
| C32 | N31 | H311 | 119.8° | 120.0° |
| N31 | C30 | C29 | 109.9° | 109.4° |
| N31 | C30 | H302 | 109.4° | 109.5° |
| N31 | C30 | H301 | 109.4° | 109.4° |
| C30 | N31 | H311 | 119.8° | 120.0° |
| C28 | C29 | C30 | 128.0° | 126.8° |
| C29 | C28 | H281 | 128.0° | 126.9° |
| C29 | C30 | H302 | 109.4° | 109.5° |
| C29 | C30 | H301 | 109.4° | 109.5° |
| C32 | N33 | H1 | 120.0° | 119.9° |
| C32 | N33 | H331 | 120.0° | 120.0° |
| H152 | C15 | H151 | 109.5° | 109.4° |
| H172 | C17 | H173 | 109.5° | 109.4° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H173 | C17 | H171 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H1 | N33 | H331 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | S16 | O19 | C17 | 116.7° | 125.0° |
| O18 | S16 | O19 | C15 | 127.8° | 125.0° |
| O18 | S16 | C17 | C15 | 125.4° | 114.5° |
| O18 | S16 | C15 | C14 | 176.9° | 65.5° |
| O18 | S16 | C15 | H152 | 57.0° | 174.5° |
| O18 | S16 | C15 | H151 | 63.1° | 54.5° |
| O18 | S16 | C17 | H172 | 180.0° | 65.5° |
| O18 | S16 | C17 | H173 | 60.0° | 174.5° |
| O18 | S16 | C17 | H171 | 60.0° | 54.5° |
| O19 | S16 | C17 | C15 | 117.7° | 114.5° |
| O19 | S16 | C15 | C14 | 54.5° | 65.5° |
| O19 | S16 | C15 | H152 | 65.5° | 54.5° |
| O19 | S16 | C15 | H151 | 174.4° | 174.5° |
| O19 | S16 | C17 | H172 | 63.1° | 65.5° |
| O19 | S16 | C17 | H173 | 176.9° | 54.5° |
| O19 | S16 | C17 | H171 | 56.9° | 174.5° |
| C17 | S16 | C15 | C14 | 63.7° | 180.0° |
| C17 | S16 | C15 | H152 | 176.3° | 60.0° |
| C17 | S16 | C15 | H151 | 56.3° | 60.0° |
| S16 | C17 | H172 | H173 | 120.0° | 120.0° |
| S16 | C17 | H172 | H171 | 120.0° | 120.0° |
| S16 | C17 | H173 | H171 | 120.0° | 120.0° |
| S16 | C15 | C14 | H152 | 120.0° | 120.0° |
| S16 | C15 | C14 | H151 | 120.0° | 120.0° |
| S16 | C15 | C14 | C20 | 92.9° | 90.0° |
| S16 | C15 | C14 | C13 | 86.9° | 90.0° |
| S16 | C15 | H152 | H151 | 120.1° | 120.0° |
| C15 | S16 | C17 | H172 | 54.6° | 180.0° |
| C15 | S16 | C17 | H173 | 65.4° | 60.0° |
| C15 | S16 | C17 | H171 | 174.6° | 60.0° |
| C15 | C14 | C20 | F21 | 0.3° | 0.0° |
| C15 | C14 | C20 | C13 | 179.8° | 180.0° |
| C15 | C14 | C20 | C22 | 179.5° | 180.0° |
| C15 | C14 | C13 | C12 | 179.6° | 180.0° |
| C15 | C14 | C13 | H131 | 0.4° | 0.0° |
| C14 | C15 | H152 | H151 | 120.1° | 120.0° |
| F21 | C20 | C14 | C22 | 179.8° | 180.0° |
| F21 | C20 | C14 | C13 | 179.9° | 180.0° |
| F21 | C20 | C22 | C11 | 179.4° | 180.0° |
| F21 | C20 | C22 | H221 | 0.6° | 0.0° |
| C20 | C14 | C13 | C12 | 0.3° | 0.0° |
| C14 | C20 | C22 | C11 | 0.5° | 0.0° |
| C20 | C14 | C13 | H131 | 179.7° | 180.0° |
| C20 | C14 | C15 | H152 | 27.0° | 150.0° |
| C20 | C14 | C15 | H151 | 147.1° | 30.0° |
| C14 | C20 | C22 | H221 | 179.6° | 180.0° |
| C13 | C14 | C20 | C22 | 0.3° | 0.0° |
| C14 | C13 | C12 | H131 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.5° | 0.0° |
| C14 | C13 | C12 | H121 | 179.5° | 179.7° |
| C13 | C14 | C15 | H152 | 153.1° | 30.0° |
| C13 | C14 | C15 | H151 | 33.1° | 150.0° |
| C20 | C22 | C11 | H221 | 180.0° | 180.0° |
| C20 | C22 | C11 | C12 | 1.3° | 0.0° |
| C20 | C22 | C11 | C10 | 179.5° | 179.8° |
| C13 | C12 | C11 | C22 | 1.3° | 0.0° |
| C13 | C12 | C11 | H121 | 180.0° | 179.7° |
| C13 | C12 | C11 | C10 | 179.6° | 179.8° |
| C22 | C11 | C12 | C10 | 178.3° | 179.7° |
| C22 | C11 | C10 | C06 | 142.5° | 115.3° |
| C22 | C11 | C10 | C23 | 37.3° | 64.7° |
| C22 | C11 | C12 | H121 | 178.7° | 179.7° |
| C12 | C11 | C10 | C06 | 39.2° | 64.9° |
| C12 | C11 | C10 | C23 | 140.9° | 115.0° |
| C11 | C12 | C13 | H131 | 179.4° | 180.0° |
| C12 | C11 | C22 | H221 | 178.8° | 180.0° |
| C11 | C10 | C06 | C07 | 3.5° | 0.1° |
| C11 | C10 | C06 | C23 | 179.9° | 180.0° |
| C11 | C10 | C06 | N05 | 179.4° | 180.0° |
| C11 | C10 | C23 | C24 | 0.1° | 0.0° |
| C11 | C10 | C23 | C04 | 179.9° | 180.0° |
| C10 | C11 | C12 | H121 | 0.4° | 0.1° |
| C10 | C11 | C22 | H221 | 0.5° | 0.2° |
| O09 | C07 | C06 | O08 | 170.0° | 180.0° |
| O09 | C07 | C06 | C10 | 42.1° | 0.1° |
| O09 | C07 | C06 | N05 | 134.6° | 180.0° |
| O09 | C07 | O08 | H2 | 0.0° | 0.0° |
| C07 | C06 | C10 | N05 | 177.1° | 180.0° |
| C07 | C06 | C10 | C23 | 176.4° | 180.0° |
| C07 | C06 | N05 | C04 | 176.4° | 180.0° |
| C07 | C06 | N05 | H051 | 3.6° | 0.0° |
| C06 | C07 | O08 | H2 | 169.4° | 180.0° |
| O08 | C07 | C06 | C10 | 147.9° | 179.9° |
| O08 | C07 | C06 | N05 | 35.3° | 0.0° |
| C06 | C10 | C23 | C24 | 179.9° | 180.0° |
| C06 | C10 | C23 | C04 | 0.2° | 0.0° |
| C10 | C06 | N05 | C04 | 0.9° | 0.0° |
| C10 | C06 | N05 | H051 | 179.1° | 180.0° |
| C23 | C10 | C06 | N05 | 0.7° | 0.0° |
| C10 | C23 | C24 | C04 | 179.8° | 179.9° |
| C10 | C23 | C24 | C25 | 179.3° | 179.9° |
| C10 | C23 | C04 | N05 | 0.3° | 0.0° |
| C10 | C23 | C04 | C03 | 179.4° | 180.0° |
| C10 | C23 | C24 | H241 | 0.7° | 0.1° |
| C06 | N05 | C04 | C23 | 0.7° | 0.0° |
| C06 | N05 | C04 | H051 | 180.0° | 180.0° |
| C06 | N05 | C04 | C03 | 179.8° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C24 | C23 | C04 | N05 | 179.6° | 180.0° |
| C24 | C23 | C04 | C03 | 0.4° | 0.0° |
| C23 | C24 | C25 | C26 | 0.3° | 0.0° |
| C23 | C24 | C25 | H251 | 179.7° | 180.0° |
| C04 | C23 | C24 | C25 | 0.5° | 0.0° |
| C23 | C04 | N05 | C03 | 179.0° | 180.0° |
| C23 | C04 | C03 | C26 | 0.1° | 0.1° |
| C23 | C04 | C03 | C02 | 178.7° | 179.7° |
| C04 | C23 | C24 | H241 | 179.5° | 180.0° |
| C23 | C04 | N05 | H051 | 179.3° | 180.0° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | C03 | 0.0° | 0.1° |
| C24 | C25 | C26 | H261 | 179.9° | 179.7° |
| N05 | C04 | C03 | C26 | 179.1° | 179.9° |
| N05 | C04 | C03 | C02 | 0.2° | 0.2° |
| C04 | C03 | C26 | C25 | 0.1° | 0.1° |
| C04 | C03 | C26 | C02 | 178.8° | 179.7° |
| C04 | C03 | C02 | N27 | 96.1° | 120.3° |
| C04 | C03 | C02 | C01 | 134.5° | 119.7° |
| C04 | C03 | C02 | H021 | 19.5° | 0.3° |
| C04 | C03 | C26 | H261 | 179.8° | 179.7° |
| C03 | C04 | N05 | H051 | 0.2° | 0.0° |
| C25 | C26 | C03 | H261 | 180.0° | 179.8° |
| C25 | C26 | C03 | C02 | 178.9° | 179.8° |
| C26 | C25 | C24 | H241 | 179.7° | 180.0° |
| C26 | C03 | C02 | N27 | 85.1° | 60.0° |
| C26 | C03 | C02 | C01 | 44.3° | 60.0° |
| C26 | C03 | C02 | H021 | 159.3° | 179.9° |
| C03 | C26 | C25 | H251 | 180.0° | 179.9° |
| C03 | C02 | N27 | N36 | 66.7° | 95.3° |
| C03 | C02 | N27 | C01 | 126.9° | 120.0° |
| C03 | C02 | N27 | H021 | 114.8° | 120.0° |
| C03 | C02 | C01 | H021 | 114.8° | 120.0° |
| C03 | C02 | N27 | C28 | 116.1° | 85.0° |
| C03 | C02 | C01 | H013 | 180.0° | 180.0° |
| C03 | C02 | C01 | H011 | 60.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 59.9° |
| C02 | C03 | C26 | H261 | 1.1° | 0.1° |
| N35 | N36 | N27 | C02 | 179.0° | 179.8° |
| N35 | N36 | N27 | C28 | 1.2° | 0.5° |
| N36 | N35 | C29 | C28 | 0.4° | 0.3° |
| N36 | N35 | C29 | C30 | 180.0° | 179.7° |
| N27 | N36 | N35 | C29 | 0.9° | 0.5° |
| N36 | N27 | C02 | C28 | 177.2° | 179.7° |
| N36 | N27 | C02 | C01 | 166.5° | 144.7° |
| N36 | N27 | C28 | C29 | 0.8° | 0.3° |
| N36 | N27 | C02 | H021 | 48.2° | 24.7° |
| N36 | N27 | C28 | H281 | 179.2° | 179.7° |
| N35 | C29 | C28 | N27 | 0.3° | 0.0° |
| N35 | C29 | C30 | N31 | 72.5° | 85.0° |
| N35 | C29 | C28 | C30 | 179.6° | 180.0° |
| N35 | C29 | C28 | H281 | 179.7° | 180.0° |
| N35 | C29 | C30 | H302 | 47.6° | 35.0° |
| N35 | C29 | C30 | H301 | 167.5° | 155.0° |
| N34 | C32 | N31 | N33 | 179.8° | 180.0° |
| N34 | C32 | N31 | C30 | 179.5° | 180.0° |
| N34 | C32 | N31 | H311 | 0.5° | 0.1° |
| N34 | C32 | N33 | H1 | 179.8° | 179.9° |
| N34 | C32 | N33 | H331 | 0.2° | 0.0° |
| N27 | C02 | C01 | H021 | 118.7° | 120.0° |
| C02 | N27 | C28 | C29 | 178.3° | 180.0° |
| N27 | C02 | C01 | H013 | 53.6° | 59.9° |
| N27 | C02 | C01 | H011 | 66.4° | 60.0° |
| N27 | C02 | C01 | H012 | 173.6° | 180.0° |
| C02 | N27 | C28 | H281 | 1.7° | 0.0° |
| C01 | C02 | N27 | C28 | 10.8° | 35.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.1° |
| C02 | C01 | H011 | H012 | 120.0° | 120.1° |
| N27 | C28 | C29 | H281 | 180.0° | 180.0° |
| N27 | C28 | C29 | C30 | 179.4° | 180.0° |
| C28 | N27 | C02 | H021 | 129.1° | 155.0° |
| C32 | N31 | C30 | H311 | 180.0° | 179.9° |
| C32 | N31 | C30 | C29 | 173.2° | 180.0° |
| C32 | N31 | C30 | H302 | 66.7° | 59.9° |
| C32 | N31 | C30 | H301 | 53.2° | 60.1° |
| N31 | C32 | N33 | H1 | 0.0° | 0.0° |
| N31 | C32 | N33 | H331 | 180.0° | 180.0° |
| N31 | C32 | N34 | H341 | 179.8° | 180.0° |
| N31 | C30 | C29 | C28 | 107.1° | 95.0° |
| N31 | C30 | C29 | H302 | 120.1° | 120.1° |
| N31 | C30 | C29 | H301 | 120.1° | 119.9° |
| C30 | N31 | C32 | N33 | 0.6° | 0.1° |
| N31 | C30 | H302 | H301 | 119.8° | 120.0° |
| C28 | C29 | C30 | H302 | 132.8° | 145.0° |
| C28 | C29 | C30 | H301 | 12.9° | 25.0° |
| C30 | C29 | C28 | H281 | 0.6° | 0.0° |
| C29 | C30 | H302 | H301 | 119.8° | 120.0° |
| C29 | C30 | N31 | H311 | 6.8° | 0.1° |
| N33 | C32 | N31 | H311 | 179.4° | 180.0° |
| C32 | N33 | H1 | H331 | 180.0° | 180.0° |
| N33 | C32 | N34 | H341 | 0.0° | 0.0° |
| H121 | C12 | C13 | H131 | 0.6° | 0.3° |
| H172 | C17 | H173 | H171 | 120.0° | 120.0° |
| H013 | C01 | H011 | H012 | 120.0° | 119.9° |
| H013 | C01 | C02 | H021 | 65.1° | 60.1° |
| H011 | C01 | C02 | H021 | 174.8° | 180.0° |
| H012 | C01 | C02 | H021 | 54.9° | 60.0° |
| H241 | C24 | C25 | H251 | 0.3° | 0.0° |
| H251 | C25 | C26 | H261 | 0.1° | 0.3° |
| H302 | C30 | N31 | H311 | 113.3° | 120.0° |
| H301 | C30 | N31 | H311 | 126.8° | 120.0° |
