XZR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | S17 | doub | 1.42Å | 1.47Å | |
| S17 | O19 | doub | 1.42Å | 1.47Å | |
| S17 | C18 | sing | 1.81Å | 1.81Å | |
| S17 | C16 | sing | 1.81Å | 1.85Å | |
| C16 | C15 | sing | 1.51Å | 1.54Å | |
| C15 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| CL14 | C13 | sing | 1.74Å | 1.78Å | |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.53Å | |
| O08 | C07 | doub | 1.22Å | 1.27Å | |
| C07 | C06 | sing | 1.47Å | 1.52Å | |
| C07 | O09 | sing | 1.35Å | 1.27Å | |
| C10 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C23 | sing | 1.47Å | 1.40Å | Aromatic |
| C06 | N05 | sing | 1.38Å | 1.33Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | C04 | sing | 1.41Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.37Å | 1.38Å | Aromatic |
| N05 | C04 | sing | 1.37Å | 1.34Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.53Å | |
| C28 | O27 | sing | 1.43Å | 1.40Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| O27 | C02 | sing | 1.43Å | 1.40Å | |
| C29 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.51Å | 1.53Å | |
| C33 | N34 | sing | 1.47Å | 1.45Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N34 | H341 | sing | 1.01Å | 1.00Å | |
| N34 | H342 | sing | 1.01Å | 1.00Å | |
| O09 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | S17 | O19 | 102.5° | 119.2° |
| O20 | S17 | C18 | 111.1° | 108.6° |
| O20 | S17 | C16 | 111.6° | 108.6° |
| O19 | S17 | C18 | 111.8° | 108.6° |
| O19 | S17 | C16 | 111.6° | 108.6° |
| C18 | S17 | C16 | 108.2° | 101.9° |
| S17 | C18 | H181 | 109.5° | 109.4° |
| S17 | C18 | H183 | 109.5° | 109.5° |
| S17 | C18 | H182 | 109.5° | 109.4° |
| S17 | C16 | C15 | 112.1° | 109.5° |
| S17 | C16 | H161 | 108.8° | 109.5° |
| S17 | C16 | H162 | 108.8° | 109.5° |
| C16 | C15 | C21 | 119.9° | 119.9° |
| C16 | C15 | C13 | 121.2° | 119.9° |
| C15 | C16 | H161 | 108.8° | 109.5° |
| C15 | C16 | H162 | 108.8° | 109.4° |
| C21 | C15 | C13 | 118.8° | 120.2° |
| C15 | C21 | C22 | 120.3° | 120.2° |
| C15 | C21 | H211 | 119.8° | 119.9° |
| C15 | C13 | CL14 | 122.6° | 119.9° |
| C15 | C13 | C12 | 120.9° | 120.1° |
| CL14 | C13 | C12 | 116.5° | 119.9° |
| C21 | C22 | C11 | 119.8° | 119.9° |
| C21 | C22 | H221 | 120.1° | 120.0° |
| C22 | C21 | H211 | 119.9° | 119.9° |
| C13 | C12 | C11 | 120.5° | 119.8° |
| C13 | C12 | H121 | 119.8° | 120.1° |
| C22 | C11 | C12 | 119.7° | 119.8° |
| C22 | C11 | C10 | 121.6° | 120.1° |
| C11 | C22 | H221 | 120.1° | 120.1° |
| C12 | C11 | C10 | 118.7° | 120.2° |
| C11 | C12 | H121 | 119.8° | 120.1° |
| C11 | C10 | C06 | 127.3° | 126.8° |
| C11 | C10 | C23 | 126.7° | 126.8° |
| O08 | C07 | C06 | 117.7° | 120.0° |
| O08 | C07 | O09 | 122.1° | 120.0° |
| C06 | C07 | O09 | 120.1° | 120.0° |
| C07 | C06 | C10 | 127.8° | 125.5° |
| C07 | C06 | N05 | 123.6° | 125.5° |
| C07 | O09 | H2 | 109.5° | 114.0° |
| C06 | C10 | C23 | 106.0° | 106.4° |
| C10 | C06 | N05 | 108.6° | 109.0° |
| C10 | C23 | C24 | 132.4° | 133.6° |
| C10 | C23 | C04 | 107.0° | 106.5° |
| C06 | N05 | C04 | 110.7° | 110.1° |
| C06 | N05 | H051 | 124.7° | 125.0° |
| C24 | C23 | C04 | 120.6° | 120.0° |
| C23 | C24 | C25 | 119.1° | 119.8° |
| C23 | C24 | H241 | 120.4° | 120.1° |
| C23 | C04 | N05 | 107.7° | 108.0° |
| C23 | C04 | C03 | 120.0° | 119.2° |
| C24 | C25 | C26 | 120.3° | 120.5° |
| C24 | C25 | H251 | 119.8° | 119.8° |
| C25 | C24 | H241 | 120.5° | 120.1° |
| N05 | C04 | C03 | 132.3° | 132.8° |
| C04 | N05 | H051 | 124.7° | 124.9° |
| C04 | C03 | C26 | 118.8° | 119.8° |
| C04 | C03 | C02 | 125.1° | 120.1° |
| C25 | C26 | C03 | 121.2° | 120.7° |
| C26 | C25 | H251 | 119.8° | 119.7° |
| C25 | C26 | H261 | 119.4° | 119.7° |
| C26 | C03 | C02 | 116.1° | 120.1° |
| C03 | C26 | H261 | 119.4° | 119.6° |
| C03 | C02 | O27 | 114.3° | 109.5° |
| C03 | C02 | C01 | 109.5° | 109.4° |
| C03 | C02 | H021 | 107.3° | 109.5° |
| O27 | C28 | C29 | 111.7° | 109.5° |
| C28 | O27 | C02 | 115.3° | 114.0° |
| O27 | C28 | H281 | 108.9° | 109.5° |
| O27 | C28 | H282 | 108.9° | 109.4° |
| C28 | C29 | C30 | 118.7° | 120.0° |
| C28 | C29 | C36 | 121.3° | 120.0° |
| C29 | C28 | H281 | 108.9° | 109.5° |
| C29 | C28 | H282 | 108.9° | 109.5° |
| C29 | C30 | C31 | 120.3° | 120.0° |
| C30 | C29 | C36 | 120.0° | 120.0° |
| C29 | C30 | H301 | 119.9° | 120.0° |
| C30 | C31 | C32 | 119.8° | 120.0° |
| C31 | C30 | H301 | 119.9° | 120.0° |
| C30 | C31 | H311 | 120.1° | 120.0° |
| O27 | C02 | C01 | 109.1° | 109.5° |
| O27 | C02 | H021 | 109.0° | 109.5° |
| C29 | C36 | C35 | 119.8° | 120.0° |
| C29 | C36 | H361 | 120.1° | 120.0° |
| C31 | C32 | C35 | 119.5° | 120.0° |
| C31 | C32 | C33 | 119.6° | 120.0° |
| C32 | C31 | H311 | 120.1° | 120.0° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.4° | 109.4° |
| C02 | C01 | H011 | 109.4° | 109.5° |
| C01 | C02 | H021 | 107.3° | 109.5° |
| C36 | C35 | C32 | 120.6° | 120.0° |
| C36 | C35 | H351 | 119.7° | 120.1° |
| C35 | C36 | H361 | 120.1° | 120.0° |
| C35 | C32 | C33 | 120.9° | 120.0° |
| C32 | C35 | H351 | 119.7° | 120.0° |
| C32 | C33 | N34 | 108.8° | 109.5° |
| C32 | C33 | H331 | 109.6° | 109.5° |
| C32 | C33 | H332 | 109.6° | 109.5° |
| N34 | C33 | H331 | 109.6° | 109.5° |
| N34 | C33 | H332 | 109.6° | 109.5° |
| C33 | N34 | H341 | 109.5° | 111.0° |
| C33 | N34 | H342 | 109.4° | 111.0° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.4° |
| H341 | N34 | H342 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | S17 | O19 | C18 | 119.1° | 125.0° |
| O20 | S17 | O19 | C16 | 119.5° | 125.0° |
| O20 | S17 | C18 | C16 | 122.8° | 114.5° |
| O20 | S17 | C16 | C15 | 170.2° | 65.5° |
| O20 | S17 | C18 | H181 | 180.0° | 65.5° |
| O20 | S17 | C18 | H183 | 60.0° | 174.5° |
| O20 | S17 | C18 | H182 | 60.0° | 54.4° |
| O20 | S17 | C16 | H161 | 49.8° | 174.5° |
| O20 | S17 | C16 | H162 | 69.4° | 54.5° |
| O19 | S17 | C18 | C16 | 123.3° | 114.5° |
| O19 | S17 | C16 | C15 | 56.2° | 65.6° |
| O19 | S17 | C18 | H181 | 66.1° | 65.5° |
| O19 | S17 | C18 | H183 | 173.9° | 54.5° |
| O19 | S17 | C18 | H182 | 53.9° | 174.5° |
| O19 | S17 | C16 | H161 | 64.2° | 54.5° |
| O19 | S17 | C16 | H162 | 176.6° | 174.5° |
| C18 | S17 | C16 | C15 | 67.3° | 180.0° |
| S17 | C18 | H181 | H183 | 120.0° | 120.0° |
| S17 | C18 | H181 | H182 | 120.0° | 119.9° |
| S17 | C18 | H183 | H182 | 120.0° | 120.0° |
| C18 | S17 | C16 | H161 | 172.4° | 60.0° |
| C18 | S17 | C16 | H162 | 53.2° | 60.0° |
| S17 | C16 | C15 | H161 | 120.4° | 120.0° |
| S17 | C16 | C15 | H162 | 120.4° | 120.0° |
| S17 | C16 | C15 | C21 | 87.9° | 90.0° |
| S17 | C16 | C15 | C13 | 92.9° | 90.1° |
| C16 | S17 | C18 | H181 | 57.2° | 180.0° |
| C16 | S17 | C18 | H183 | 62.8° | 60.0° |
| C16 | S17 | C18 | H182 | 177.2° | 60.1° |
| S17 | C16 | H161 | H162 | 118.8° | 120.0° |
| C16 | C15 | C21 | C13 | 179.2° | 179.9° |
| C16 | C15 | C13 | CL14 | 0.0° | 0.0° |
| C16 | C15 | C21 | C22 | 179.7° | 180.0° |
| C16 | C15 | C13 | C12 | 179.8° | 179.7° |
| C16 | C15 | C21 | H211 | 0.3° | 0.1° |
| C15 | C16 | H161 | H162 | 118.8° | 120.0° |
| C21 | C15 | C13 | CL14 | 179.1° | 179.9° |
| C15 | C21 | C22 | H211 | 180.0° | 179.9° |
| C21 | C15 | C13 | C12 | 1.0° | 0.2° |
| C15 | C21 | C22 | C11 | 0.9° | 0.1° |
| C15 | C21 | C22 | H221 | 179.1° | 179.7° |
| C21 | C15 | C16 | H161 | 32.5° | 150.0° |
| C21 | C15 | C16 | H162 | 151.7° | 30.0° |
| C15 | C13 | CL14 | C12 | 179.8° | 179.7° |
| C13 | C15 | C21 | C22 | 1.1° | 0.1° |
| C15 | C13 | C12 | C11 | 0.8° | 0.5° |
| C13 | C15 | C21 | H211 | 178.9° | 180.0° |
| C13 | C15 | C16 | H161 | 146.7° | 30.0° |
| C13 | C15 | C16 | H162 | 27.5° | 150.0° |
| C15 | C13 | C12 | H121 | 179.1° | 180.0° |
| CL14 | C13 | C12 | C11 | 179.3° | 179.8° |
| CL14 | C13 | C12 | H121 | 0.7° | 0.3° |
| C21 | C22 | C11 | H221 | 180.0° | 179.8° |
| C21 | C22 | C11 | C12 | 0.7° | 0.2° |
| C21 | C22 | C11 | C10 | 179.4° | 179.7° |
| C13 | C12 | C11 | C22 | 0.7° | 0.5° |
| C13 | C12 | C11 | H121 | 180.0° | 179.5° |
| C13 | C12 | C11 | C10 | 179.4° | 179.4° |
| C22 | C11 | C12 | C10 | 178.7° | 179.9° |
| C22 | C11 | C10 | C06 | 128.0° | 65.1° |
| C22 | C11 | C10 | C23 | 51.5° | 115.0° |
| C11 | C22 | C21 | H211 | 179.1° | 180.0° |
| C22 | C11 | C12 | H121 | 179.3° | 180.0° |
| C12 | C11 | C10 | C06 | 50.7° | 115.0° |
| C12 | C11 | C10 | C23 | 129.8° | 64.9° |
| C12 | C11 | C22 | H221 | 179.3° | 180.0° |
| C11 | C10 | C06 | C07 | 0.2° | 0.1° |
| C11 | C10 | C06 | C23 | 179.6° | 179.9° |
| C11 | C10 | C06 | N05 | 179.8° | 179.9° |
| C11 | C10 | C23 | C24 | 0.4° | 0.1° |
| C11 | C10 | C23 | C04 | 179.8° | 179.9° |
| C10 | C11 | C22 | H221 | 0.6° | 0.1° |
| C10 | C11 | C12 | H121 | 0.6° | 0.1° |
| O08 | C07 | C06 | O09 | 178.0° | 180.0° |
| O08 | C07 | C06 | C10 | 41.5° | 0.0° |
| O08 | C07 | C06 | N05 | 138.1° | 180.0° |
| O08 | C07 | O09 | H2 | 0.0° | 0.0° |
| C07 | C06 | C10 | N05 | 179.6° | 180.0° |
| C07 | C06 | C10 | C23 | 179.4° | 180.0° |
| C07 | C06 | N05 | C04 | 179.9° | 180.0° |
| C07 | C06 | N05 | H051 | 0.1° | 0.0° |
| C06 | C07 | O09 | H2 | 178.0° | 180.0° |
| O09 | C07 | C06 | C10 | 140.5° | 180.0° |
| O09 | C07 | C06 | N05 | 39.9° | 0.0° |
| C06 | C10 | C23 | C24 | 180.0° | 180.0° |
| C06 | C10 | C23 | C04 | 0.6° | 0.1° |
| C10 | C06 | N05 | C04 | 0.3° | 0.0° |
| C10 | C06 | N05 | H051 | 179.7° | 180.0° |
| C23 | C10 | C06 | N05 | 0.2° | 0.1° |
| C10 | C23 | C24 | C04 | 179.4° | 180.0° |
| C10 | C23 | C24 | C25 | 179.3° | 180.0° |
| C10 | C23 | C04 | N05 | 0.7° | 0.0° |
| C10 | C23 | C04 | C03 | 179.5° | 179.7° |
| 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 | 179.2° | 179.7° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C24 | C23 | C04 | N05 | 179.7° | 180.0° |
| C24 | C23 | C04 | C03 | 1.0° | 0.3° |
| C23 | C24 | C25 | C26 | 0.6° | 0.0° |
| C23 | C24 | C25 | H251 | 179.5° | 179.8° |
| C04 | C23 | C24 | C25 | 1.3° | 0.0° |
| C23 | C04 | N05 | C03 | 178.5° | 179.7° |
| C23 | C04 | C03 | C26 | 0.0° | 0.6° |
| C23 | C04 | C03 | C02 | 179.5° | 180.0° |
| C04 | C23 | C24 | H241 | 178.7° | 180.0° |
| C23 | C04 | N05 | H051 | 179.4° | 180.0° |
| C24 | C25 | C26 | H251 | 180.0° | 179.8° |
| C24 | C25 | C26 | C03 | 0.4° | 0.3° |
| C24 | C25 | C26 | H261 | 179.6° | 179.7° |
| N05 | C04 | C03 | C26 | 178.4° | 179.8° |
| N05 | C04 | C03 | C02 | 1.1° | 0.4° |
| C04 | C03 | C26 | C25 | 0.7° | 0.6° |
| C04 | C03 | C26 | C02 | 179.5° | 179.4° |
| C04 | C03 | C02 | O27 | 32.7° | 155.6° |
| C04 | C03 | C02 | C01 | 90.1° | 84.4° |
| C04 | C03 | C26 | H261 | 179.3° | 179.4° |
| C04 | C03 | C02 | H021 | 153.7° | 35.6° |
| C03 | C04 | N05 | H051 | 0.8° | 0.3° |
| C25 | C26 | C03 | H261 | 180.0° | 180.0° |
| C25 | C26 | C03 | C02 | 179.8° | 180.0° |
| C26 | C25 | C24 | H241 | 179.4° | 180.0° |
| C26 | C03 | C02 | O27 | 146.8° | 25.0° |
| C26 | C03 | C02 | C01 | 90.4° | 95.0° |
| C03 | C26 | C25 | H251 | 179.6° | 179.9° |
| C26 | C03 | C02 | H021 | 25.8° | 145.1° |
| C03 | C02 | O27 | C28 | 61.7° | 150.0° |
| C03 | C02 | O27 | C01 | 122.9° | 120.0° |
| C03 | C02 | O27 | H021 | 120.1° | 120.0° |
| C03 | C02 | C01 | H021 | 116.2° | 120.0° |
| C02 | C03 | C26 | H261 | 0.2° | 0.0° |
| C03 | C02 | C01 | H012 | 180.0° | 179.9° |
| C03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C03 | C02 | C01 | H011 | 60.0° | 60.0° |
| O27 | C28 | C29 | H281 | 120.3° | 120.1° |
| O27 | C28 | C29 | H282 | 120.3° | 119.9° |
| O27 | C28 | C29 | C30 | 164.1° | 89.8° |
| O27 | C28 | C29 | C36 | 15.1° | 89.9° |
| C28 | O27 | C02 | C01 | 175.4° | 90.0° |
| O27 | C28 | H281 | H282 | 119.0° | 120.0° |
| C28 | O27 | C02 | H021 | 58.4° | 30.0° |
| C28 | C29 | C30 | C36 | 179.2° | 179.8° |
| C28 | C29 | C30 | C31 | 179.7° | 180.0° |
| C29 | C28 | O27 | C02 | 74.2° | 180.0° |
| C28 | C29 | C36 | C35 | 178.9° | 179.8° |
| C29 | C28 | H281 | H282 | 119.0° | 120.0° |
| C28 | C29 | C30 | H301 | 0.3° | 0.1° |
| C28 | C29 | C36 | H361 | 1.2° | 0.0° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 1.2° | 0.0° |
| C30 | C29 | C36 | C35 | 0.3° | 0.5° |
| C30 | C29 | C28 | H281 | 75.6° | 30.3° |
| C30 | C29 | C28 | H282 | 43.7° | 150.3° |
| C29 | C30 | C31 | H311 | 178.8° | 180.0° |
| C30 | C29 | C36 | H361 | 179.7° | 179.8° |
| C31 | C30 | C29 | C36 | 0.5° | 0.2° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | C35 | 1.0° | 0.0° |
| C30 | C31 | C32 | C33 | 180.0° | 180.0° |
| O27 | C02 | C01 | H021 | 118.0° | 120.0° |
| C02 | O27 | C28 | H281 | 165.5° | 59.9° |
| C02 | O27 | C28 | H282 | 46.2° | 60.0° |
| O27 | C02 | C01 | H012 | 54.2° | 60.1° |
| O27 | C02 | C01 | H013 | 174.3° | 180.0° |
| O27 | C02 | C01 | H011 | 65.8° | 60.0° |
| C29 | C36 | C35 | H361 | 180.0° | 179.7° |
| C29 | C36 | C35 | C32 | 0.5° | 0.4° |
| C36 | C29 | C28 | H281 | 105.2° | 150.0° |
| C36 | C29 | C28 | H282 | 135.5° | 30.0° |
| C36 | C29 | C30 | H301 | 179.5° | 179.7° |
| C29 | C36 | C35 | H351 | 179.6° | 179.8° |
| C31 | C32 | C35 | C36 | 0.2° | 0.2° |
| C31 | C32 | C35 | C33 | 179.0° | 180.0° |
| C31 | C32 | C33 | N34 | 78.0° | 90.0° |
| C32 | C31 | C30 | H301 | 178.8° | 179.9° |
| C31 | C32 | C33 | H331 | 41.9° | 150.0° |
| C31 | C32 | C33 | H332 | 162.1° | 30.1° |
| C31 | C32 | C35 | H351 | 179.7° | 180.0° |
| C02 | C01 | H012 | H013 | 120.0° | 119.9° |
| C02 | C01 | H012 | H011 | 120.0° | 120.1° |
| C02 | C01 | H013 | H011 | 119.9° | 120.1° |
| C36 | C35 | C32 | H351 | 180.0° | 179.8° |
| C36 | C35 | C32 | C33 | 179.2° | 179.8° |
| C35 | C32 | C33 | N34 | 100.9° | 90.0° |
| C35 | C32 | C31 | H311 | 179.0° | 180.0° |
| C35 | C32 | C33 | H331 | 139.2° | 30.0° |
| C35 | C32 | C33 | H332 | 18.9° | 150.0° |
| C32 | C35 | C36 | H361 | 179.5° | 179.8° |
| C32 | C33 | N34 | H331 | 119.9° | 120.0° |
| C32 | C33 | N34 | H332 | 119.9° | 120.1° |
| C33 | C32 | C31 | H311 | 0.0° | 0.0° |
| C32 | C33 | H331 | H332 | 120.3° | 120.0° |
| C33 | C32 | C35 | H351 | 0.8° | 0.0° |
| C32 | C33 | N34 | H341 | 180.0° | 180.0° |
| C32 | C33 | N34 | H342 | 60.0° | 56.1° |
| N34 | C33 | H331 | H332 | 120.3° | 120.0° |
| C33 | N34 | H341 | H342 | 120.0° | 123.9° |
| H251 | C25 | C24 | H241 | 0.6° | 0.2° |
| H251 | C25 | C26 | H261 | 0.4° | 0.1° |
| H221 | C22 | C21 | H211 | 0.9° | 0.2° |
| H181 | C18 | H183 | H182 | 120.0° | 120.1° |
| H012 | C01 | H013 | H011 | 120.0° | 120.0° |
| H012 | C01 | C02 | H021 | 63.8° | 60.0° |
| H013 | C01 | C02 | H021 | 56.2° | 60.0° |
| H011 | C01 | C02 | H021 | 176.2° | 180.0° |
| H301 | C30 | C31 | H311 | 1.2° | 0.1° |
| H331 | C33 | N34 | H341 | 60.1° | 60.0° |
| H331 | C33 | N34 | H342 | 179.9° | 176.0° |
| H332 | C33 | N34 | H341 | 60.1° | 60.0° |
| H332 | C33 | N34 | H342 | 59.9° | 64.0° |
| H351 | C35 | C36 | H361 | 0.4° | 0.0° |
