YV8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | S17 | doub | 1.42Å | 1.45Å | |
| S17 | O19 | doub | 1.42Å | 1.47Å | |
| S17 | C18 | sing | 1.81Å | 1.81Å | |
| S17 | C16 | sing | 1.81Å | 1.82Å | |
| C16 | C15 | sing | 1.51Å | 1.54Å | |
| C15 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| F14 | C13 | sing | 1.35Å | 1.37Å | |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C11 | doub | 1.40Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.51Å | |
| O08 | C07 | doub | 1.22Å | 1.27Å | |
| C07 | C06 | sing | 1.47Å | 1.49Å | |
| C07 | O09 | sing | 1.35Å | 1.27Å | |
| C10 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C23 | sing | 1.47Å | 1.41Å | Aromatic |
| C06 | N05 | sing | 1.38Å | 1.30Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.41Å | 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 | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
| O36 | C35 | doub | 1.22Å | 1.21Å | |
| C03 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.53Å | |
| C35 | O34 | sing | 1.34Å | 1.39Å | |
| C35 | N27 | sing | 1.34Å | 1.41Å | |
| O34 | C29 | sing | 1.46Å | 1.46Å | |
| C02 | N27 | sing | 1.46Å | 1.46Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| N27 | C28 | sing | 1.47Å | 1.43Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.54Å | 1.51Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C32 | N33 | sing | 1.47Å | 1.45Å | |
| 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 | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | 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 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N33 | H331 | sing | 1.01Å | 1.00Å | |
| N33 | H1 | 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 | 110.8° | 119.2° |
| O20 | S17 | C18 | 108.5° | 108.6° |
| O20 | S17 | C16 | 111.8° | 108.6° |
| O19 | S17 | C18 | 111.4° | 108.6° |
| O19 | S17 | C16 | 107.6° | 108.6° |
| C18 | S17 | C16 | 106.7° | 101.9° |
| S17 | C18 | H182 | 109.5° | 109.4° |
| S17 | C18 | H181 | 109.5° | 109.5° |
| S17 | C18 | H183 | 109.5° | 109.4° |
| S17 | C16 | C15 | 111.3° | 109.5° |
| S17 | C16 | H161 | 109.0° | 109.5° |
| S17 | C16 | H162 | 109.0° | 109.5° |
| C16 | C15 | C21 | 119.9° | 119.9° |
| C16 | C15 | C13 | 120.2° | 119.8° |
| C15 | C16 | H161 | 109.0° | 109.5° |
| C15 | C16 | H162 | 109.0° | 109.5° |
| C21 | C15 | C13 | 119.9° | 120.3° |
| C15 | C21 | C22 | 120.2° | 120.2° |
| C15 | C21 | H211 | 119.9° | 119.9° |
| C15 | C13 | F14 | 122.0° | 120.0° |
| C15 | C13 | C12 | 120.1° | 120.1° |
| F14 | C13 | C12 | 117.9° | 119.9° |
| C21 | C22 | C11 | 119.8° | 119.9° |
| C22 | C21 | H211 | 119.9° | 119.9° |
| C21 | C22 | H221 | 120.1° | 120.1° |
| C13 | C12 | C11 | 119.7° | 119.8° |
| C13 | C12 | H121 | 120.2° | 120.1° |
| C22 | C11 | C12 | 120.2° | 119.7° |
| C22 | C11 | C10 | 122.4° | 120.1° |
| C11 | C22 | H221 | 120.1° | 120.1° |
| C12 | C11 | C10 | 117.3° | 120.1° |
| C11 | C12 | H121 | 120.1° | 120.1° |
| C11 | C10 | C06 | 126.5° | 126.8° |
| C11 | C10 | C23 | 128.3° | 126.8° |
| O08 | C07 | C06 | 115.3° | 120.0° |
| O08 | C07 | O09 | 122.9° | 120.1° |
| C06 | C07 | O09 | 120.2° | 119.9° |
| C07 | C06 | C10 | 128.9° | 125.5° |
| C07 | C06 | N05 | 120.6° | 125.5° |
| C07 | O09 | H2 | 109.5° | 113.9° |
| C06 | C10 | C23 | 105.2° | 106.5° |
| C10 | C06 | N05 | 110.0° | 109.0° |
| C10 | C23 | C24 | 134.7° | 133.6° |
| C10 | C23 | C04 | 106.2° | 106.4° |
| C06 | N05 | C04 | 110.4° | 110.1° |
| C06 | N05 | H051 | 124.8° | 124.9° |
| C24 | C23 | C04 | 119.0° | 120.0° |
| C23 | C24 | C25 | 119.1° | 119.8° |
| C23 | C24 | H241 | 120.4° | 120.1° |
| C23 | C04 | N05 | 108.2° | 108.0° |
| C23 | C04 | C03 | 122.6° | 119.2° |
| C24 | C25 | C26 | 120.9° | 120.5° |
| C25 | C24 | H241 | 120.4° | 120.1° |
| C24 | C25 | H251 | 119.5° | 119.8° |
| N05 | C04 | C03 | 129.2° | 132.8° |
| C04 | N05 | H051 | 124.8° | 124.9° |
| C04 | C03 | C26 | 117.6° | 119.8° |
| C04 | C03 | C02 | 118.6° | 120.1° |
| C25 | C26 | C03 | 120.7° | 120.7° |
| C26 | C25 | H251 | 119.6° | 119.8° |
| C25 | C26 | H261 | 119.7° | 119.6° |
| O36 | C35 | O34 | 125.5° | 123.1° |
| O36 | C35 | N27 | 125.5° | 123.1° |
| C26 | C03 | C02 | 123.7° | 120.1° |
| C03 | C26 | H261 | 119.7° | 119.6° |
| C03 | C02 | N27 | 109.6° | 109.5° |
| C03 | C02 | C01 | 110.3° | 109.5° |
| C03 | C02 | H021 | 107.8° | 109.5° |
| O34 | C35 | N27 | 109.1° | 113.8° |
| C35 | O34 | C29 | 107.4° | 109.5° |
| C35 | N27 | C02 | 118.5° | 125.6° |
| C35 | N27 | C28 | 110.2° | 108.9° |
| O34 | C29 | C30 | 108.5° | 110.6° |
| O34 | C29 | C28 | 105.5° | 104.0° |
| O34 | C29 | H291 | 109.9° | 110.5° |
| N27 | C02 | C01 | 112.3° | 109.4° |
| C02 | N27 | C28 | 131.0° | 125.6° |
| N27 | C02 | H021 | 108.7° | 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 | 107.9° | 109.5° |
| N27 | C28 | C29 | 102.8° | 103.9° |
| N27 | C28 | H281 | 111.1° | 110.6° |
| N27 | C28 | H282 | 111.1° | 110.6° |
| C29 | C30 | C31 | 112.2° | 109.5° |
| C30 | C29 | C28 | 114.3° | 110.5° |
| C30 | C29 | H291 | 109.3° | 110.5° |
| C29 | C30 | H301 | 108.8° | 109.5° |
| C29 | C30 | H302 | 108.8° | 109.5° |
| C30 | C31 | C32 | 112.7° | 109.5° |
| C31 | C30 | H301 | 108.8° | 109.5° |
| C31 | C30 | H302 | 108.8° | 109.5° |
| C30 | C31 | H311 | 108.6° | 109.5° |
| C30 | C31 | H312 | 108.7° | 109.5° |
| C29 | C28 | H281 | 111.1° | 110.6° |
| C29 | C28 | H282 | 111.1° | 110.5° |
| C28 | C29 | H291 | 109.3° | 110.5° |
| C31 | C32 | N33 | 111.4° | 109.5° |
| C32 | C31 | H311 | 108.7° | 109.5° |
| C32 | C31 | H312 | 108.6° | 109.5° |
| C31 | C32 | H322 | 109.0° | 109.5° |
| C31 | C32 | H321 | 109.0° | 109.5° |
| N33 | C32 | H322 | 109.0° | 109.5° |
| N33 | C32 | H321 | 109.0° | 109.5° |
| C32 | N33 | H331 | 109.5° | 111.0° |
| C32 | N33 | H1 | 109.5° | 111.0° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 110.4° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H331 | N33 | H1 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | S17 | O19 | C18 | 120.8° | 125.0° |
| O20 | S17 | O19 | C16 | 122.5° | 125.0° |
| O20 | S17 | C18 | C16 | 120.7° | 114.6° |
| O20 | S17 | C16 | C15 | 176.8° | 65.5° |
| O20 | S17 | C16 | H161 | 56.5° | 54.5° |
| O20 | S17 | C16 | H162 | 63.0° | 174.5° |
| O20 | S17 | C18 | H182 | 180.0° | 54.5° |
| O20 | S17 | C18 | H181 | 60.0° | 174.5° |
| O20 | S17 | C18 | H183 | 60.0° | 65.5° |
| O19 | S17 | C18 | C16 | 117.2° | 114.5° |
| O19 | S17 | C16 | C15 | 54.9° | 65.5° |
| O19 | S17 | C16 | H161 | 65.4° | 174.5° |
| O19 | S17 | C16 | H162 | 175.1° | 54.5° |
| O19 | S17 | C18 | H182 | 57.8° | 174.5° |
| O19 | S17 | C18 | H181 | 177.8° | 54.5° |
| O19 | S17 | C18 | H183 | 62.2° | 65.5° |
| C18 | S17 | C16 | C15 | 64.7° | 180.0° |
| C18 | S17 | C16 | H161 | 175.0° | 60.0° |
| C18 | S17 | C16 | H162 | 55.5° | 59.9° |
| S17 | C18 | H182 | H181 | 120.0° | 120.0° |
| S17 | C18 | H182 | H183 | 120.0° | 119.9° |
| S17 | C18 | H181 | H183 | 120.0° | 120.0° |
| S17 | C16 | C15 | H161 | 120.3° | 120.0° |
| S17 | C16 | C15 | H162 | 120.3° | 120.0° |
| S17 | C16 | C15 | C21 | 88.0° | 90.0° |
| S17 | C16 | C15 | C13 | 93.6° | 89.7° |
| S17 | C16 | H161 | H162 | 119.2° | 120.0° |
| C16 | S17 | C18 | H182 | 59.4° | 60.0° |
| C16 | S17 | C18 | H181 | 60.7° | 60.0° |
| C16 | S17 | C18 | H183 | 179.4° | 180.0° |
| C16 | C15 | C21 | C13 | 178.3° | 179.7° |
| C16 | C15 | C13 | F14 | 1.2° | 0.2° |
| C16 | C15 | C21 | C22 | 179.5° | 179.9° |
| C16 | C15 | C13 | C12 | 179.0° | 179.7° |
| C15 | C16 | H161 | H162 | 119.2° | 120.0° |
| C16 | C15 | C21 | H211 | 0.5° | 0.3° |
| C21 | C15 | C13 | F14 | 179.5° | 179.9° |
| C15 | C21 | C22 | H211 | 180.0° | 179.6° |
| C21 | C15 | C13 | C12 | 0.6° | 0.0° |
| C15 | C21 | C22 | C11 | 0.2° | 0.6° |
| C21 | C15 | C16 | H161 | 32.2° | 150.0° |
| C21 | C15 | C16 | H162 | 151.7° | 30.0° |
| C15 | C21 | C22 | H221 | 179.8° | 180.0° |
| C15 | C13 | F14 | C12 | 179.9° | 179.9° |
| C13 | C15 | C21 | C22 | 1.2° | 0.3° |
| C15 | C13 | C12 | C11 | 0.8° | 0.0° |
| C15 | C13 | C12 | H121 | 179.2° | 179.9° |
| C13 | C15 | C16 | H161 | 146.1° | 30.3° |
| C13 | C15 | C16 | H162 | 26.6° | 150.3° |
| C13 | C15 | C21 | H211 | 178.8° | 180.0° |
| F14 | C13 | C12 | C11 | 179.1° | 180.0° |
| F14 | C13 | C12 | H121 | 0.9° | 0.0° |
| C21 | C22 | C11 | H221 | 180.0° | 179.4° |
| C21 | C22 | C11 | C12 | 1.2° | 0.6° |
| C21 | C22 | C11 | C10 | 179.6° | 179.7° |
| C13 | C12 | C11 | C22 | 1.8° | 0.3° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 179.8° | 180.0° |
| C22 | C11 | C12 | C10 | 178.4° | 179.7° |
| C22 | C11 | C10 | C06 | 139.8° | 115.3° |
| C22 | C11 | C10 | C23 | 43.4° | 65.0° |
| C22 | C11 | C12 | H121 | 178.2° | 179.8° |
| C11 | C22 | C21 | H211 | 179.8° | 179.7° |
| C12 | C11 | C10 | C06 | 41.8° | 65.0° |
| C12 | C11 | C10 | C23 | 135.0° | 114.7° |
| C12 | C11 | C22 | H221 | 178.8° | 180.0° |
| C11 | C10 | C06 | C07 | 9.3° | 0.3° |
| C11 | C10 | C06 | C23 | 177.4° | 179.7° |
| C11 | C10 | C06 | N05 | 179.0° | 179.7° |
| C11 | C10 | C23 | C24 | 2.2° | 0.3° |
| C11 | C10 | C23 | C04 | 179.0° | 179.7° |
| C10 | C11 | C12 | H121 | 0.2° | 0.0° |
| C10 | C11 | C22 | H221 | 0.4° | 0.3° |
| O08 | C07 | C06 | O09 | 165.8° | 180.0° |
| O08 | C07 | C06 | C10 | 38.0° | 0.0° |
| O08 | C07 | C06 | N05 | 132.9° | 180.0° |
| O08 | C07 | O09 | H2 | 0.0° | 0.0° |
| C07 | C06 | C10 | N05 | 171.7° | 180.0° |
| C07 | C06 | C10 | C23 | 173.3° | 180.0° |
| C07 | C06 | N05 | C04 | 173.4° | 180.0° |
| C07 | C06 | N05 | H051 | 6.5° | 0.0° |
| C06 | C07 | O09 | H2 | 164.7° | 180.0° |
| O09 | C07 | C06 | C10 | 156.2° | 180.0° |
| O09 | C07 | C06 | N05 | 32.9° | 0.0° |
| C06 | C10 | C23 | C24 | 179.5° | 179.9° |
| C06 | C10 | C23 | C04 | 1.7° | 0.0° |
| C10 | C06 | N05 | C04 | 0.9° | 0.0° |
| C10 | C06 | N05 | H051 | 179.1° | 180.0° |
| C23 | C10 | C06 | N05 | 1.6° | 0.0° |
| C10 | C23 | C24 | C04 | 178.7° | 179.9° |
| C10 | C23 | C24 | C25 | 180.0° | 180.0° |
| C10 | C23 | C04 | N05 | 1.2° | 0.0° |
| C10 | C23 | C04 | C03 | 179.7° | 179.9° |
| C10 | C23 | C24 | H241 | 0.0° | 0.0° |
| C06 | N05 | C04 | C23 | 0.2° | 0.0° |
| C06 | N05 | C04 | H051 | 180.0° | 180.0° |
| C06 | N05 | C04 | C03 | 178.6° | 179.9° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C24 | C23 | C04 | N05 | 179.7° | 179.9° |
| C24 | C23 | C04 | C03 | 1.2° | 0.0° |
| C23 | C24 | C25 | C26 | 0.6° | 0.0° |
| C23 | C24 | C25 | H251 | 179.4° | 180.0° |
| C04 | C23 | C24 | C25 | 1.2° | 0.0° |
| C23 | C04 | N05 | C03 | 178.3° | 179.9° |
| C23 | C04 | C03 | C26 | 0.5° | 0.0° |
| C23 | C04 | C03 | C02 | 177.7° | 180.0° |
| C04 | C23 | C24 | H241 | 178.8° | 179.9° |
| C23 | C04 | N05 | H051 | 179.8° | 180.0° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | C03 | 0.1° | 0.0° |
| C24 | C25 | C26 | H261 | 179.9° | 179.9° |
| N05 | C04 | C03 | C26 | 178.7° | 179.9° |
| N05 | C04 | C03 | C02 | 0.4° | 0.1° |
| C04 | C03 | C26 | C25 | 0.1° | 0.0° |
| C04 | C03 | C26 | C02 | 178.2° | 180.0° |
| C04 | C03 | C02 | N27 | 100.6° | 75.8° |
| C04 | C03 | C02 | C01 | 135.2° | 164.3° |
| C04 | C03 | C02 | H021 | 17.5° | 44.2° |
| C04 | C03 | C26 | H261 | 179.9° | 180.0° |
| C03 | C04 | N05 | H051 | 1.5° | 0.1° |
| C25 | C26 | C03 | H261 | 180.0° | 180.0° |
| C25 | C26 | C03 | C02 | 178.3° | 180.0° |
| C26 | C25 | C24 | H241 | 179.4° | 179.9° |
| O36 | C35 | O34 | N27 | 179.5° | 180.0° |
| O36 | C35 | O34 | C29 | 172.5° | 180.0° |
| O36 | C35 | N27 | C02 | 1.8° | 0.0° |
| O36 | C35 | N27 | C28 | 172.4° | 179.9° |
| C26 | C03 | C02 | N27 | 81.2° | 104.3° |
| C26 | C03 | C02 | C01 | 43.0° | 15.7° |
| C26 | C03 | C02 | H021 | 160.6° | 135.7° |
| C03 | C26 | C25 | H251 | 179.9° | 180.0° |
| C03 | C02 | N27 | C35 | 84.5° | 58.1° |
| C03 | C02 | N27 | C01 | 123.0° | 120.0° |
| C03 | C02 | N27 | H021 | 117.6° | 120.0° |
| C03 | C02 | C01 | H021 | 117.6° | 120.0° |
| C03 | C02 | N27 | C28 | 88.3° | 121.7° |
| C03 | C02 | C01 | H013 | 180.0° | 60.1° |
| C03 | C02 | C01 | H011 | 60.0° | 180.0° |
| C03 | C02 | C01 | H012 | 60.0° | 60.0° |
| C02 | C03 | C26 | H261 | 1.7° | 0.1° |
| O34 | C35 | N27 | C02 | 177.6° | 180.0° |
| O34 | C35 | N27 | C28 | 8.1° | 0.1° |
| C35 | O34 | C29 | C30 | 141.1° | 118.6° |
| C35 | O34 | C29 | C28 | 18.3° | 0.1° |
| C35 | O34 | C29 | H291 | 99.4° | 118.7° |
| N27 | C35 | O34 | C29 | 6.9° | 0.0° |
| C35 | N27 | C02 | C28 | 172.9° | 179.9° |
| C35 | N27 | C02 | C01 | 152.4° | 61.9° |
| C35 | N27 | C28 | C29 | 18.8° | 0.1° |
| C35 | N27 | C02 | H021 | 33.1° | 178.1° |
| C35 | N27 | C28 | H281 | 100.2° | 118.5° |
| C35 | N27 | C28 | H282 | 137.7° | 118.8° |
| O34 | C29 | C28 | N27 | 22.2° | 0.1° |
| O34 | C29 | C30 | C28 | 117.4° | 114.6° |
| O34 | C29 | C30 | H291 | 119.9° | 122.7° |
| O34 | C29 | C30 | C31 | 163.0° | 70.4° |
| O34 | C29 | C28 | H291 | 118.1° | 118.6° |
| O34 | C29 | C28 | H281 | 96.7° | 118.6° |
| O34 | C29 | C28 | H282 | 141.1° | 118.8° |
| O34 | C29 | C30 | H301 | 42.6° | 49.7° |
| O34 | C29 | C30 | H302 | 76.7° | 169.6° |
| N27 | C02 | C01 | H021 | 119.8° | 120.0° |
| C02 | N27 | C28 | C29 | 167.9° | 180.0° |
| N27 | C02 | C01 | H013 | 57.4° | 180.0° |
| N27 | C02 | C01 | H011 | 62.6° | 60.0° |
| N27 | C02 | C01 | H012 | 177.4° | 60.0° |
| C02 | N27 | C28 | H281 | 73.2° | 61.3° |
| C02 | N27 | C28 | H282 | 49.0° | 61.3° |
| C01 | C02 | N27 | C28 | 34.7° | 118.3° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.1° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N27 | C28 | C29 | C30 | 141.3° | 118.6° |
| N27 | C28 | C29 | H281 | 118.9° | 118.7° |
| N27 | C28 | C29 | H282 | 118.9° | 118.7° |
| C28 | N27 | C02 | H021 | 154.0° | 1.7° |
| N27 | C28 | H281 | H282 | 123.1° | 122.8° |
| N27 | C28 | C29 | H291 | 95.9° | 118.7° |
| C29 | C30 | C31 | H301 | 120.4° | 120.0° |
| C29 | C30 | C31 | H302 | 120.4° | 120.0° |
| C30 | C29 | C28 | H291 | 122.8° | 122.6° |
| C29 | C30 | C31 | C32 | 162.8° | 180.0° |
| C30 | C29 | C28 | H281 | 22.4° | 122.6° |
| C30 | C29 | C28 | H282 | 99.7° | 0.0° |
| C29 | C30 | H301 | H302 | 118.8° | 120.0° |
| C29 | C30 | C31 | H311 | 76.7° | 60.0° |
| C29 | C30 | C31 | H312 | 42.3° | 60.0° |
| C31 | C30 | C29 | C28 | 79.7° | 175.0° |
| C30 | C31 | C32 | H311 | 120.5° | 120.0° |
| C30 | C31 | C32 | H312 | 120.5° | 120.0° |
| C30 | C31 | C32 | N33 | 150.9° | 180.0° |
| C31 | C30 | C29 | H291 | 43.1° | 52.4° |
| C31 | C30 | H301 | H302 | 118.7° | 120.0° |
| C30 | C31 | H311 | H312 | 118.5° | 120.0° |
| C30 | C31 | C32 | H322 | 88.9° | 60.0° |
| C30 | C31 | C32 | H321 | 30.6° | 60.0° |
| C29 | C28 | H281 | H282 | 123.1° | 122.7° |
| C28 | C29 | C30 | H301 | 159.9° | 65.0° |
| C28 | C29 | C30 | H302 | 40.7° | 55.0° |
| C31 | C32 | N33 | H322 | 120.3° | 120.0° |
| C31 | C32 | N33 | H321 | 120.3° | 120.0° |
| C32 | C31 | C30 | H301 | 42.4° | 60.0° |
| C32 | C31 | C30 | H302 | 76.8° | 60.0° |
| C32 | C31 | H311 | H312 | 118.5° | 120.0° |
| C31 | C32 | H322 | H321 | 119.1° | 120.0° |
| C31 | C32 | N33 | H331 | 180.0° | 56.1° |
| C31 | C32 | N33 | H1 | 60.0° | 180.0° |
| N33 | C32 | C31 | H311 | 30.4° | 60.0° |
| N33 | C32 | C31 | H312 | 88.7° | 60.0° |
| N33 | C32 | H322 | H321 | 119.1° | 120.0° |
| C32 | N33 | H331 | H1 | 120.0° | 123.9° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H013 | C01 | C02 | H021 | 62.4° | 60.0° |
| H011 | C01 | C02 | H021 | 177.6° | 60.0° |
| H012 | C01 | C02 | H021 | 57.6° | 180.0° |
| H182 | C18 | H181 | H183 | 120.0° | 120.0° |
| H211 | C21 | C22 | H221 | 0.2° | 0.3° |
| H241 | C24 | C25 | H251 | 0.6° | 0.0° |
| H251 | C25 | C26 | H261 | 0.1° | 0.0° |
| H281 | C28 | C29 | H291 | 145.2° | 0.0° |
| H282 | C28 | C29 | H291 | 23.0° | 122.6° |
| H291 | C29 | C30 | H301 | 77.3° | 172.4° |
| H291 | C29 | C30 | H302 | 163.5° | 67.6° |
| H301 | C30 | C31 | H311 | 162.9° | 180.0° |
| H301 | C30 | C31 | H312 | 78.1° | 60.0° |
| H302 | C30 | C31 | H311 | 43.7° | 60.0° |
| H302 | C30 | C31 | H312 | 162.7° | 180.0° |
| H311 | C31 | C32 | H322 | 150.7° | 180.0° |
| H311 | C31 | C32 | H321 | 89.9° | 60.0° |
| H312 | C31 | C32 | H322 | 31.6° | 60.0° |
| H312 | C31 | C32 | H321 | 151.0° | 180.0° |
| H322 | C32 | N33 | H331 | 59.7° | 63.9° |
| H322 | C32 | N33 | H1 | 179.7° | 60.0° |
| H321 | C32 | N33 | H331 | 59.7° | 176.1° |
| H321 | C32 | N33 | H1 | 60.3° | 60.0° |
