YL9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | S17 | doub | 1.42Å | 1.48Å | |
| S17 | O20 | doub | 1.42Å | 1.48Å | |
| S17 | C18 | sing | 1.81Å | 1.82Å | |
| S17 | C16 | sing | 1.81Å | 1.92Å | |
| C16 | C15 | sing | 1.51Å | 1.57Å | |
| C15 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| F14 | C13 | sing | 1.35Å | 1.38Å | |
| C21 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.54Å | |
| O08 | C07 | doub | 1.22Å | 1.27Å | |
| C07 | C06 | sing | 1.47Å | 1.52Å | |
| C07 | O09 | sing | 1.35Å | 1.24Å | |
| C10 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C23 | sing | 1.47Å | 1.40Å | Aromatic |
| C06 | N05 | sing | 1.38Å | 1.30Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.44Å | Aromatic |
| C23 | C04 | sing | 1.41Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.37Å | 1.40Å | Aromatic |
| N05 | C04 | sing | 1.37Å | 1.33Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.42Å | Aromatic |
| O35 | C34 | doub | 1.21Å | 1.16Å | |
| C03 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.61Å | |
| C34 | O33 | sing | 1.34Å | 1.45Å | |
| C34 | N27 | sing | 1.34Å | 1.46Å | |
| O33 | C29 | sing | 1.46Å | 1.36Å | |
| N27 | C02 | sing | 1.46Å | 1.45Å | |
| N27 | C28 | sing | 1.47Å | 1.41Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.56Å | |
| C29 | C28 | sing | 1.54Å | 1.45Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C31 | N32 | sing | 1.47Å | 1.44Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | 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 | H1 | 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 | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| N32 | H322 | sing | 1.01Å | 1.00Å | |
| N32 | H3 | sing | 1.01Å | 1.00Å | |
| O09 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | S17 | O20 | 108.3° | 119.2° |
| O19 | S17 | C18 | 107.9° | 108.6° |
| O19 | S17 | C16 | 113.5° | 108.5° |
| O20 | S17 | C18 | 111.2° | 108.6° |
| O20 | S17 | C16 | 111.7° | 108.6° |
| C18 | S17 | C16 | 104.3° | 101.9° |
| S17 | C18 | H183 | 109.5° | 109.4° |
| S17 | C18 | H182 | 109.5° | 109.4° |
| S17 | C18 | H181 | 109.5° | 109.5° |
| S17 | C16 | C15 | 107.9° | 109.5° |
| S17 | C16 | H162 | 109.9° | 109.5° |
| S17 | C16 | H161 | 109.9° | 109.5° |
| C16 | C15 | C21 | 118.3° | 119.8° |
| C16 | C15 | C13 | 122.1° | 119.9° |
| C15 | C16 | H162 | 109.9° | 109.4° |
| C15 | C16 | H161 | 109.9° | 109.5° |
| C21 | C15 | C13 | 119.5° | 120.3° |
| C15 | C21 | C22 | 121.3° | 120.1° |
| C15 | C21 | H211 | 119.3° | 119.9° |
| C15 | C13 | F14 | 123.3° | 120.0° |
| C15 | C13 | C12 | 119.6° | 120.1° |
| F14 | C13 | C12 | 117.1° | 119.9° |
| C21 | C22 | C11 | 118.5° | 119.9° |
| C22 | C21 | H211 | 119.3° | 119.9° |
| C21 | C22 | H221 | 120.7° | 120.0° |
| C13 | C12 | C11 | 120.1° | 119.8° |
| C13 | C12 | H121 | 119.9° | 120.0° |
| C22 | C11 | C12 | 120.9° | 119.7° |
| C22 | C11 | C10 | 120.7° | 120.1° |
| C11 | C22 | H221 | 120.7° | 120.0° |
| C12 | C11 | C10 | 118.4° | 120.1° |
| C11 | C12 | H121 | 119.9° | 120.1° |
| C11 | C10 | C06 | 125.3° | 126.8° |
| C11 | C10 | C23 | 128.5° | 126.7° |
| O08 | C07 | C06 | 116.5° | 120.0° |
| O08 | C07 | O09 | 121.7° | 120.0° |
| C06 | C07 | O09 | 120.9° | 120.0° |
| C07 | C06 | C10 | 129.0° | 125.5° |
| C07 | C06 | N05 | 121.2° | 125.5° |
| C07 | O09 | H4 | 109.5° | 114.0° |
| C06 | C10 | C23 | 106.2° | 106.5° |
| C10 | C06 | N05 | 109.7° | 109.0° |
| C10 | C23 | C24 | 135.2° | 133.6° |
| C10 | C23 | C04 | 105.2° | 106.4° |
| C06 | N05 | C04 | 109.9° | 110.1° |
| C06 | N05 | H051 | 125.1° | 125.0° |
| C24 | C23 | C04 | 119.6° | 120.0° |
| C23 | C24 | C25 | 119.0° | 119.8° |
| C23 | C24 | H241 | 120.5° | 120.0° |
| C23 | C04 | N05 | 109.0° | 108.1° |
| C23 | C04 | C03 | 122.1° | 119.2° |
| C24 | C25 | C26 | 120.5° | 120.4° |
| C25 | C24 | H241 | 120.5° | 120.1° |
| C24 | C25 | H251 | 119.7° | 119.8° |
| N05 | C04 | C03 | 128.8° | 132.8° |
| C04 | N05 | H051 | 125.1° | 125.0° |
| C04 | C03 | C26 | 118.2° | 119.8° |
| C04 | C03 | C02 | 118.5° | 120.1° |
| C25 | C26 | C03 | 120.5° | 120.7° |
| C26 | C25 | H251 | 119.8° | 119.7° |
| C25 | C26 | H261 | 119.8° | 119.6° |
| O35 | C34 | O33 | 124.2° | 123.1° |
| O35 | C34 | N27 | 127.4° | 123.1° |
| C26 | C03 | C02 | 123.3° | 120.1° |
| C03 | C26 | H261 | 119.7° | 119.6° |
| C03 | C02 | N27 | 107.5° | 109.5° |
| C03 | C02 | C01 | 110.8° | 109.5° |
| C03 | C02 | H021 | 107.9° | 109.5° |
| O33 | C34 | N27 | 108.4° | 113.8° |
| C34 | O33 | C29 | 105.8° | 109.4° |
| C34 | N27 | C02 | 122.4° | 125.6° |
| C34 | N27 | C28 | 107.6° | 108.9° |
| O33 | C29 | C30 | 116.7° | 110.5° |
| O33 | C29 | C28 | 112.4° | 104.1° |
| O33 | C29 | H2 | 90.1° | 110.7° |
| C02 | N27 | C28 | 130.0° | 125.5° |
| N27 | C02 | C01 | 111.6° | 109.4° |
| N27 | C02 | H021 | 110.1° | 109.5° |
| N27 | C28 | C29 | 105.8° | 103.9° |
| N27 | C28 | H281 | 110.4° | 110.6° |
| N27 | C28 | H1 | 110.4° | 110.6° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.8° | 109.5° |
| C30 | C29 | C28 | 130.9° | 110.5° |
| C29 | C30 | C31 | 114.5° | 109.5° |
| C30 | C29 | H2 | 90.1° | 110.4° |
| C29 | C30 | H301 | 108.2° | 109.5° |
| C29 | C30 | H302 | 108.2° | 109.5° |
| C29 | C28 | H281 | 110.4° | 110.6° |
| C29 | C28 | H1 | 110.4° | 110.6° |
| C28 | C29 | H2 | 90.1° | 110.5° |
| C30 | C31 | N32 | 106.2° | 109.5° |
| C31 | C30 | H301 | 108.2° | 109.4° |
| C31 | C30 | H302 | 108.2° | 109.5° |
| C30 | C31 | H311 | 110.3° | 109.4° |
| C30 | C31 | H312 | 110.3° | 109.5° |
| N32 | C31 | H311 | 110.3° | 109.5° |
| N32 | C31 | H312 | 110.3° | 109.5° |
| C31 | N32 | H322 | 109.5° | 111.1° |
| C31 | N32 | H3 | 109.5° | 111.0° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H183 | C18 | H182 | 109.4° | 109.5° |
| H183 | C18 | H181 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H281 | C28 | H1 | 109.5° | 110.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.4° |
| H322 | N32 | H3 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | S17 | O20 | C18 | 118.3° | 125.0° |
| O19 | S17 | O20 | C16 | 125.7° | 124.9° |
| O19 | S17 | C18 | C16 | 121.0° | 114.4° |
| O19 | S17 | C16 | C15 | 179.7° | 65.5° |
| O19 | S17 | C16 | H162 | 60.0° | 174.5° |
| O19 | S17 | C16 | H161 | 60.5° | 54.5° |
| O19 | S17 | C18 | H183 | 180.0° | 65.6° |
| O19 | S17 | C18 | H182 | 60.0° | 174.5° |
| O19 | S17 | C18 | H181 | 60.0° | 54.5° |
| O20 | S17 | C18 | C16 | 120.5° | 114.5° |
| O20 | S17 | C16 | C15 | 57.0° | 65.5° |
| O20 | S17 | C16 | H162 | 62.8° | 54.5° |
| O20 | S17 | C16 | H161 | 176.7° | 174.5° |
| O20 | S17 | C18 | H183 | 61.4° | 65.5° |
| O20 | S17 | C18 | H182 | 178.6° | 54.5° |
| O20 | S17 | C18 | H181 | 58.6° | 174.5° |
| C18 | S17 | C16 | C15 | 63.1° | 180.0° |
| C18 | S17 | C16 | H162 | 177.1° | 60.1° |
| C18 | S17 | C16 | H161 | 56.6° | 60.0° |
| S17 | C18 | H183 | H182 | 120.0° | 119.9° |
| S17 | C18 | H183 | H181 | 120.0° | 120.0° |
| S17 | C18 | H182 | H181 | 120.0° | 120.0° |
| S17 | C16 | C15 | H162 | 119.7° | 120.0° |
| S17 | C16 | C15 | H161 | 119.7° | 120.0° |
| S17 | C16 | C15 | C21 | 87.0° | 90.0° |
| S17 | C16 | C15 | C13 | 93.1° | 89.7° |
| S17 | C16 | H162 | H161 | 120.7° | 120.0° |
| C16 | S17 | C18 | H183 | 59.0° | 180.0° |
| C16 | S17 | C18 | H182 | 60.9° | 60.0° |
| C16 | S17 | C18 | H181 | 179.1° | 60.0° |
| C16 | C15 | C21 | C13 | 180.0° | 179.7° |
| C16 | C15 | C13 | F14 | 0.3° | 0.3° |
| C16 | C15 | C21 | C22 | 179.9° | 180.0° |
| C16 | C15 | C13 | C12 | 179.7° | 179.7° |
| C15 | C16 | H162 | H161 | 120.8° | 120.0° |
| C16 | C15 | C21 | H211 | 0.1° | 0.3° |
| C21 | C15 | C13 | F14 | 179.7° | 180.0° |
| C15 | C21 | C22 | H211 | 180.0° | 179.7° |
| C21 | C15 | C13 | C12 | 0.2° | 0.1° |
| C15 | C21 | C22 | C11 | 0.5° | 0.5° |
| C21 | C15 | C16 | H162 | 32.8° | 150.0° |
| C21 | C15 | C16 | H161 | 153.3° | 30.0° |
| C15 | C21 | C22 | H221 | 179.5° | 179.9° |
| C15 | C13 | F14 | C12 | 179.5° | 179.9° |
| C13 | C15 | C21 | C22 | 0.1° | 0.3° |
| C15 | C13 | C12 | C11 | 0.8° | 0.1° |
| C15 | C13 | C12 | H121 | 179.2° | 180.0° |
| C13 | C15 | C16 | H162 | 147.2° | 30.3° |
| C13 | C15 | C16 | H161 | 26.7° | 150.3° |
| C13 | C15 | C21 | H211 | 179.9° | 180.0° |
| F14 | C13 | C12 | C11 | 179.7° | 180.0° |
| F14 | C13 | C12 | H121 | 0.3° | 0.1° |
| C21 | C22 | C11 | H221 | 180.0° | 179.5° |
| C21 | C22 | C11 | C12 | 1.1° | 0.5° |
| C21 | C22 | C11 | C10 | 179.1° | 179.8° |
| C13 | C12 | C11 | C22 | 1.3° | 0.3° |
| C13 | C12 | C11 | H121 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 179.3° | 180.0° |
| C22 | C11 | C12 | C10 | 178.0° | 179.7° |
| C22 | C11 | C10 | C06 | 136.0° | 115.2° |
| C22 | C11 | C10 | C23 | 46.3° | 64.4° |
| C22 | C11 | C12 | H121 | 178.7° | 179.8° |
| C11 | C22 | C21 | H211 | 179.4° | 179.8° |
| C12 | C11 | C10 | C06 | 46.0° | 65.1° |
| C12 | C11 | C10 | C23 | 131.8° | 115.3° |
| C12 | C11 | C22 | H221 | 178.9° | 179.9° |
| C11 | C10 | C06 | C07 | 5.2° | 0.3° |
| C11 | C10 | C06 | C23 | 178.1° | 179.7° |
| C11 | C10 | C06 | N05 | 178.3° | 179.7° |
| C11 | C10 | C23 | C24 | 1.9° | 0.3° |
| C11 | C10 | C23 | C04 | 179.1° | 179.7° |
| C10 | C11 | C12 | H121 | 0.7° | 0.1° |
| C10 | C11 | C22 | H221 | 0.9° | 0.2° |
| O08 | C07 | C06 | O09 | 169.5° | 180.0° |
| O08 | C07 | C06 | C10 | 38.6° | 0.0° |
| O08 | C07 | C06 | N05 | 137.6° | 180.0° |
| O08 | C07 | O09 | H4 | 0.0° | 0.0° |
| C07 | C06 | C10 | N05 | 176.5° | 180.0° |
| C07 | C06 | C10 | C23 | 176.7° | 180.0° |
| C07 | C06 | N05 | C04 | 176.0° | 180.0° |
| C07 | C06 | N05 | H051 | 4.0° | 0.0° |
| C06 | C07 | O09 | H4 | 168.9° | 180.0° |
| O09 | C07 | C06 | C10 | 152.0° | 180.0° |
| O09 | C07 | C06 | N05 | 31.9° | 0.0° |
| C06 | C10 | C23 | C24 | 180.0° | 180.0° |
| C06 | C10 | C23 | C04 | 1.0° | 0.0° |
| C10 | C06 | N05 | C04 | 0.8° | 0.0° |
| C10 | C06 | N05 | H051 | 179.2° | 180.0° |
| C23 | C10 | C06 | N05 | 0.2° | 0.0° |
| C10 | C23 | C24 | C04 | 178.9° | 180.0° |
| C10 | C23 | C24 | C25 | 178.9° | 180.0° |
| C10 | C23 | C04 | N05 | 1.5° | 0.0° |
| C10 | C23 | C04 | C03 | 179.7° | 180.0° |
| C10 | C23 | C24 | H241 | 1.1° | 0.0° |
| C06 | N05 | C04 | C23 | 1.4° | 0.0° |
| C06 | N05 | C04 | H051 | 180.0° | 180.0° |
| C06 | N05 | C04 | C03 | 179.9° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C24 | C23 | C04 | N05 | 179.3° | 180.0° |
| C24 | C23 | C04 | C03 | 0.5° | 0.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C23 | C24 | C25 | H251 | 179.9° | 180.0° |
| C04 | C23 | C24 | C25 | 0.1° | 0.0° |
| C23 | C04 | N05 | C03 | 178.7° | 180.0° |
| C23 | C04 | C03 | C26 | 1.0° | 0.0° |
| C23 | C04 | C03 | C02 | 178.5° | 180.0° |
| C23 | C04 | N05 | H051 | 178.6° | 180.0° |
| C04 | C23 | C24 | H241 | 179.9° | 180.0° |
| 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 | 179.5° | 180.0° |
| N05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C04 | C03 | C26 | C25 | 1.0° | 0.0° |
| C04 | C03 | C26 | C02 | 179.5° | 180.0° |
| C04 | C03 | C02 | N27 | 93.4° | 76.0° |
| C04 | C03 | C02 | C01 | 144.3° | 164.1° |
| C03 | C04 | N05 | H051 | 0.1° | 0.0° |
| C04 | C03 | C02 | H021 | 25.3° | 44.0° |
| C04 | C03 | C26 | H261 | 179.0° | 180.0° |
| C25 | C26 | C03 | H261 | 180.0° | 180.0° |
| C25 | C26 | C03 | C02 | 178.4° | 180.0° |
| C26 | C25 | C24 | H241 | 179.9° | 180.0° |
| O35 | C34 | O33 | N27 | 177.7° | 179.9° |
| O35 | C34 | O33 | C29 | 179.3° | 179.9° |
| O35 | C34 | N27 | C02 | 3.5° | 0.1° |
| O35 | C34 | N27 | C28 | 179.8° | 179.9° |
| C26 | C03 | C02 | N27 | 87.1° | 104.0° |
| C26 | C03 | C02 | C01 | 35.2° | 15.9° |
| C26 | C03 | C02 | H021 | 154.2° | 136.0° |
| C03 | C26 | C25 | H251 | 179.4° | 180.0° |
| C03 | C02 | N27 | C34 | 77.4° | 58.2° |
| C03 | C02 | N27 | C01 | 121.7° | 119.9° |
| C03 | C02 | N27 | H021 | 117.3° | 120.0° |
| C03 | C02 | N27 | C28 | 98.5° | 121.8° |
| C03 | C02 | C01 | H021 | 118.5° | 120.0° |
| C03 | C02 | C01 | H011 | 180.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 60.1° |
| C03 | C02 | C01 | H013 | 60.0° | 180.0° |
| C02 | C03 | C26 | H261 | 1.6° | 0.0° |
| O33 | C34 | N27 | C02 | 178.9° | 180.0° |
| O33 | C34 | N27 | C28 | 2.2° | 0.0° |
| C34 | O33 | C29 | C30 | 179.4° | 118.5° |
| C34 | O33 | C29 | C28 | 0.4° | 0.1° |
| C34 | O33 | C29 | H2 | 90.5° | 118.8° |
| N27 | C34 | O33 | C29 | 1.6° | 0.1° |
| C34 | N27 | C02 | C28 | 175.9° | 179.9° |
| C34 | N27 | C02 | C01 | 160.8° | 61.8° |
| C34 | N27 | C28 | C29 | 1.9° | 0.1° |
| C34 | N27 | C02 | H021 | 39.9° | 178.2° |
| C34 | N27 | C28 | H281 | 117.5° | 118.6° |
| C34 | N27 | C28 | H1 | 121.3° | 118.7° |
| O33 | C29 | C28 | N27 | 1.0° | 0.1° |
| O33 | C29 | C30 | C28 | 179.7° | 114.6° |
| O33 | C29 | C30 | H2 | 90.1° | 122.8° |
| O33 | C29 | C28 | H2 | 90.1° | 118.8° |
| O33 | C29 | C30 | C31 | 171.2° | 70.4° |
| O33 | C29 | C28 | H281 | 118.4° | 118.6° |
| O33 | C29 | C28 | H1 | 120.4° | 118.7° |
| O33 | C29 | C30 | H301 | 50.5° | 49.6° |
| O33 | C29 | C30 | H302 | 68.1° | 169.6° |
| N27 | C02 | C01 | H021 | 121.7° | 120.0° |
| C02 | N27 | C28 | C29 | 178.3° | 180.0° |
| N27 | C02 | C01 | H011 | 60.2° | 60.0° |
| N27 | C02 | C01 | H012 | 59.8° | 180.0° |
| N27 | C02 | C01 | H013 | 179.8° | 60.1° |
| C02 | N27 | C28 | H281 | 58.9° | 61.4° |
| C02 | N27 | C28 | H1 | 62.3° | 61.3° |
| C28 | N27 | C02 | C01 | 23.2° | 118.3° |
| N27 | C28 | C29 | C30 | 179.3° | 118.6° |
| N27 | C28 | C29 | H281 | 119.4° | 118.6° |
| N27 | C28 | C29 | H1 | 119.4° | 118.6° |
| C28 | N27 | C02 | H021 | 144.2° | 1.8° |
| N27 | C28 | H281 | H1 | 121.7° | 122.7° |
| N27 | C28 | C29 | H2 | 89.1° | 118.9° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C30 | C29 | C28 | H2 | 90.2° | 122.5° |
| C29 | C30 | C31 | H301 | 120.7° | 120.0° |
| C29 | C30 | C31 | H302 | 120.7° | 120.1° |
| C29 | C30 | C31 | N32 | 170.8° | 180.0° |
| C30 | C29 | C28 | H281 | 61.3° | 122.8° |
| C30 | C29 | C28 | H1 | 59.9° | 0.0° |
| C29 | C30 | H301 | H302 | 117.7° | 120.1° |
| C29 | C30 | C31 | H311 | 69.7° | 60.0° |
| C29 | C30 | C31 | H312 | 51.4° | 59.9° |
| C28 | C29 | C30 | C31 | 9.1° | 175.0° |
| C29 | C28 | H281 | H1 | 121.7° | 122.8° |
| C28 | C29 | C30 | H301 | 129.8° | 65.1° |
| C28 | C29 | C30 | H302 | 111.6° | 55.0° |
| C30 | C31 | N32 | H311 | 119.5° | 120.0° |
| C30 | C31 | N32 | H312 | 119.5° | 120.1° |
| C31 | C30 | C29 | H2 | 81.1° | 52.4° |
| C31 | C30 | H301 | H302 | 117.7° | 119.9° |
| C30 | C31 | H311 | H312 | 121.6° | 120.0° |
| C30 | C31 | N32 | H322 | 180.0° | 180.0° |
| C30 | C31 | N32 | H3 | 60.0° | 56.0° |
| N32 | C31 | C30 | H301 | 50.1° | 60.0° |
| N32 | C31 | C30 | H302 | 68.4° | 59.9° |
| N32 | C31 | H311 | H312 | 121.5° | 120.0° |
| C31 | N32 | H322 | H3 | 120.0° | 124.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 61.5° | 180.0° |
| H012 | C01 | C02 | H021 | 178.5° | 60.0° |
| H013 | C01 | C02 | H021 | 58.5° | 60.0° |
| H183 | C18 | H182 | H181 | 120.0° | 120.1° |
| H211 | C21 | C22 | H221 | 0.6° | 0.2° |
| H241 | C24 | C25 | H251 | 0.1° | 0.0° |
| H251 | C25 | C26 | H261 | 0.6° | 0.0° |
| H281 | C28 | C29 | H2 | 151.4° | 0.3° |
| H1 | C28 | C29 | H2 | 30.3° | 122.5° |
| H2 | C29 | C30 | H301 | 39.6° | 172.4° |
| H2 | C29 | C30 | H302 | 158.2° | 67.6° |
| H301 | C30 | C31 | H311 | 169.6° | 180.0° |
| H301 | C30 | C31 | H312 | 69.4° | 60.1° |
| H302 | C30 | C31 | H311 | 51.0° | 60.1° |
| H302 | C30 | C31 | H312 | 172.1° | 180.0° |
| H311 | C31 | N32 | H322 | 60.5° | 60.0° |
| H311 | C31 | N32 | H3 | 179.5° | 176.0° |
| H312 | C31 | N32 | H322 | 60.5° | 60.0° |
| H312 | C31 | N32 | H3 | 59.5° | 64.0° |
