YSX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | S17 | doub | 1.42Å | 1.44Å | |
| O19 | S17 | doub | 1.42Å | 1.45Å | |
| S17 | C18 | sing | 1.81Å | 1.81Å | |
| S17 | C16 | sing | 1.81Å | 1.80Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| F14 | C13 | sing | 1.35Å | 1.36Å | |
| C15 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| O08 | C07 | doub | 1.22Å | 1.27Å | |
| C11 | C10 | sing | 1.48Å | 1.51Å | |
| C07 | O09 | sing | 1.35Å | 1.28Å | |
| C07 | C06 | sing | 1.47Å | 1.50Å | |
| C10 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C23 | sing | 1.47Å | 1.42Å | Aromatic |
| C06 | N05 | sing | 1.38Å | 1.33Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | C04 | sing | 1.41Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.37Å | 1.41Å | Aromatic |
| N05 | C04 | sing | 1.38Å | 1.37Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.42Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| O29 | C28 | doub | 1.21Å | 1.21Å | |
| C03 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.54Å | |
| C28 | C30 | sing | 1.52Å | 1.49Å | |
| C28 | N27 | sing | 1.35Å | 1.42Å | |
| C30 | N31 | sing | 1.47Å | 1.46Å | |
| N27 | C02 | sing | 1.46Å | 1.48Å | |
| N27 | C36 | sing | 1.34Å | 1.45Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| N31 | C36 | sing | 1.35Å | 1.45Å | |
| N31 | C32 | sing | 1.46Å | 1.47Å | |
| C36 | O37 | doub | 1.22Å | 1.18Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | N35 | sing | 1.47Å | 1.46Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | 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 | |
| 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 | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N35 | H352 | sing | 1.01Å | 1.00Å | |
| N35 | 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 | 109.1° | 119.2° |
| O20 | S17 | C18 | 109.0° | 108.6° |
| O20 | S17 | C16 | 112.6° | 108.6° |
| O19 | S17 | C18 | 108.2° | 108.6° |
| O19 | S17 | C16 | 109.3° | 108.6° |
| C18 | S17 | C16 | 108.6° | 102.0° |
| S17 | C18 | H183 | 109.5° | 109.5° |
| S17 | C18 | H181 | 109.4° | 109.5° |
| S17 | C18 | H182 | 109.5° | 109.5° |
| S17 | C16 | C15 | 112.8° | 109.5° |
| S17 | C16 | H161 | 108.6° | 109.4° |
| S17 | C16 | H162 | 108.6° | 109.5° |
| C16 | C15 | C13 | 120.5° | 119.9° |
| C16 | C15 | C21 | 121.1° | 119.9° |
| C15 | C16 | H161 | 108.7° | 109.5° |
| C15 | C16 | H162 | 108.7° | 109.5° |
| F14 | C13 | C15 | 119.8° | 119.9° |
| F14 | C13 | C12 | 119.0° | 119.9° |
| C13 | C15 | C21 | 118.3° | 120.2° |
| C15 | C13 | C12 | 121.2° | 120.1° |
| C15 | C21 | C22 | 121.2° | 120.2° |
| C15 | C21 | H211 | 119.4° | 119.9° |
| C13 | C12 | C11 | 120.0° | 119.8° |
| C13 | C12 | H121 | 120.0° | 120.1° |
| C21 | C22 | C11 | 119.8° | 119.9° |
| C22 | C21 | H211 | 119.4° | 119.9° |
| C21 | C22 | H221 | 120.1° | 120.1° |
| C12 | C11 | C22 | 119.3° | 119.7° |
| C12 | C11 | C10 | 121.7° | 120.2° |
| C11 | C12 | H121 | 120.0° | 120.0° |
| C22 | C11 | C10 | 118.9° | 120.1° |
| C11 | C22 | H221 | 120.1° | 120.0° |
| O08 | C07 | O09 | 120.3° | 120.0° |
| O08 | C07 | C06 | 120.7° | 120.0° |
| C11 | C10 | C06 | 126.0° | 126.8° |
| C11 | C10 | C23 | 126.8° | 126.8° |
| O09 | C07 | C06 | 118.7° | 119.9° |
| C07 | O09 | H2 | 109.5° | 114.0° |
| C07 | C06 | C10 | 128.4° | 125.4° |
| C07 | C06 | N05 | 122.3° | 125.5° |
| C06 | C10 | C23 | 107.1° | 106.4° |
| C10 | C06 | N05 | 109.1° | 109.0° |
| C10 | C23 | C24 | 134.5° | 133.6° |
| C10 | C23 | C04 | 105.7° | 106.4° |
| C06 | N05 | C04 | 109.9° | 110.1° |
| C06 | N05 | H051 | 125.1° | 124.9° |
| C24 | C23 | C04 | 119.8° | 120.0° |
| C23 | C24 | C25 | 118.4° | 119.8° |
| C23 | C24 | H241 | 120.8° | 120.1° |
| C23 | C04 | N05 | 108.3° | 108.0° |
| C23 | C04 | C03 | 121.9° | 119.2° |
| C24 | C25 | C26 | 121.0° | 120.5° |
| C25 | C24 | H241 | 120.8° | 120.1° |
| C24 | C25 | H251 | 119.5° | 119.8° |
| N05 | C04 | C03 | 129.8° | 132.8° |
| C04 | N05 | H051 | 125.0° | 125.0° |
| C04 | C03 | C26 | 117.3° | 119.8° |
| C04 | C03 | C02 | 118.6° | 120.0° |
| C25 | C26 | C03 | 121.5° | 120.7° |
| C26 | C25 | H251 | 119.5° | 119.7° |
| C25 | C26 | H261 | 119.2° | 119.7° |
| O29 | C28 | C30 | 126.0° | 127.1° |
| O29 | C28 | N27 | 123.4° | 127.2° |
| C26 | C03 | C02 | 124.1° | 120.1° |
| C03 | C26 | H261 | 119.3° | 119.6° |
| C03 | C02 | N27 | 108.7° | 109.5° |
| C03 | C02 | C01 | 113.8° | 109.4° |
| C03 | C02 | H021 | 106.7° | 109.5° |
| C30 | C28 | N27 | 110.6° | 105.7° |
| C28 | C30 | N31 | 105.1° | 103.6° |
| C28 | C30 | H301 | 110.6° | 110.6° |
| C28 | C30 | H302 | 110.5° | 110.6° |
| C28 | N27 | C02 | 123.6° | 124.2° |
| C28 | N27 | C36 | 106.4° | 111.7° |
| C30 | N31 | C36 | 108.4° | 106.6° |
| C30 | N31 | C32 | 125.1° | 126.7° |
| N31 | C30 | H301 | 110.6° | 110.6° |
| N31 | C30 | H302 | 110.6° | 110.6° |
| C02 | N27 | C36 | 129.9° | 124.2° |
| N27 | C02 | C01 | 113.1° | 109.5° |
| N27 | C02 | H021 | 107.3° | 109.5° |
| N27 | C36 | N31 | 109.6° | 112.4° |
| N27 | C36 | O37 | 123.9° | 123.8° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H021 | 106.9° | 109.4° |
| C36 | N31 | C32 | 126.3° | 126.7° |
| N31 | C36 | O37 | 126.6° | 123.8° |
| N31 | C32 | C33 | 115.8° | 109.4° |
| N31 | C32 | H321 | 107.8° | 109.5° |
| N31 | C32 | H322 | 107.9° | 109.5° |
| C32 | C33 | C34 | 111.1° | 109.5° |
| C33 | C32 | H321 | 107.9° | 109.5° |
| C33 | C32 | H322 | 107.9° | 109.5° |
| C32 | C33 | H331 | 109.0° | 109.5° |
| C32 | C33 | H332 | 109.0° | 109.5° |
| C33 | C34 | N35 | 110.9° | 109.5° |
| C34 | C33 | H331 | 109.1° | 109.5° |
| C34 | C33 | H332 | 109.1° | 109.5° |
| C33 | C34 | H342 | 109.1° | 109.5° |
| C33 | C34 | H341 | 109.1° | 109.5° |
| N35 | C34 | H342 | 109.1° | 109.5° |
| N35 | C34 | H341 | 109.1° | 109.5° |
| C34 | N35 | H352 | 109.5° | 111.0° |
| C34 | N35 | H1 | 109.5° | 111.0° |
| H161 | C16 | H162 | 109.4° | 109.4° |
| H183 | C18 | H181 | 109.5° | 109.5° |
| H183 | C18 | H182 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H301 | C30 | H302 | 109.5° | 110.6° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.5° | 109.5° |
| H352 | N35 | H1 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | S17 | O19 | C18 | 118.5° | 125.0° |
| O20 | S17 | O19 | C16 | 123.5° | 125.0° |
| O20 | S17 | C18 | C16 | 123.0° | 114.5° |
| O20 | S17 | C16 | C15 | 178.3° | 65.5° |
| O20 | S17 | C16 | H161 | 61.2° | 54.5° |
| O20 | S17 | C16 | H162 | 57.8° | 174.5° |
| O20 | S17 | C18 | H183 | 180.0° | 65.5° |
| O20 | S17 | C18 | H181 | 60.0° | 54.5° |
| O20 | S17 | C18 | H182 | 60.0° | 174.5° |
| O19 | S17 | C18 | C16 | 118.5° | 114.5° |
| O19 | S17 | C16 | C15 | 60.3° | 65.5° |
| O19 | S17 | C16 | H161 | 60.2° | 174.5° |
| O19 | S17 | C16 | H162 | 179.2° | 54.5° |
| O19 | S17 | C18 | H183 | 61.5° | 65.5° |
| O19 | S17 | C18 | H181 | 178.5° | 174.5° |
| O19 | S17 | C18 | H182 | 58.6° | 54.5° |
| C18 | S17 | C16 | C15 | 57.5° | 180.0° |
| C18 | S17 | C16 | H161 | 178.0° | 60.0° |
| C18 | S17 | C16 | H162 | 63.0° | 60.0° |
| S17 | C18 | H183 | H181 | 120.0° | 120.1° |
| S17 | C18 | H183 | H182 | 120.0° | 120.0° |
| S17 | C18 | H181 | H182 | 120.0° | 120.0° |
| S17 | C16 | C15 | H161 | 120.5° | 120.0° |
| S17 | C16 | C15 | H162 | 120.5° | 120.0° |
| S17 | C16 | C15 | C13 | 91.8° | 90.0° |
| S17 | C16 | C15 | C21 | 92.4° | 90.0° |
| S17 | C16 | H161 | H162 | 118.5° | 120.0° |
| C16 | S17 | C18 | H183 | 57.0° | 180.0° |
| C16 | S17 | C18 | H181 | 63.0° | 60.0° |
| C16 | S17 | C18 | H182 | 177.1° | 60.0° |
| C16 | C15 | C13 | F14 | 3.4° | 0.0° |
| C16 | C15 | C13 | C21 | 175.9° | 180.0° |
| C16 | C15 | C13 | C12 | 177.3° | 180.0° |
| C16 | C15 | C21 | C22 | 177.8° | 179.7° |
| C15 | C16 | H161 | H162 | 118.5° | 120.0° |
| C16 | C15 | C21 | H211 | 2.2° | 0.0° |
| F14 | C13 | C15 | C12 | 179.3° | 180.0° |
| F14 | C13 | C15 | C21 | 179.3° | 180.0° |
| F14 | C13 | C12 | C11 | 178.6° | 180.0° |
| F14 | C13 | C12 | H121 | 1.4° | 0.0° |
| C13 | C15 | C21 | C22 | 1.9° | 0.3° |
| C15 | C13 | C12 | C11 | 0.7° | 0.0° |
| C15 | C13 | C12 | H121 | 179.3° | 180.0° |
| C13 | C15 | C16 | H161 | 28.7° | 150.0° |
| C13 | C15 | C16 | H162 | 147.7° | 30.0° |
| C13 | C15 | C21 | H211 | 178.1° | 180.0° |
| C21 | C15 | C13 | C12 | 1.3° | 0.0° |
| C15 | C21 | C22 | H211 | 180.0° | 179.7° |
| C15 | C21 | C22 | C11 | 0.5° | 0.5° |
| C21 | C15 | C16 | H161 | 147.1° | 30.0° |
| C21 | C15 | C16 | H162 | 28.1° | 150.0° |
| C15 | C21 | C22 | H221 | 179.5° | 180.0° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C13 | C12 | C11 | C22 | 2.1° | 0.3° |
| C13 | C12 | C11 | C10 | 179.5° | 180.0° |
| C21 | C22 | C11 | C12 | 1.6° | 0.5° |
| C21 | C22 | C11 | H221 | 180.0° | 179.5° |
| C21 | C22 | C11 | C10 | 180.0° | 179.7° |
| C12 | C11 | C22 | C10 | 178.4° | 179.7° |
| C12 | C11 | C10 | C06 | 139.8° | 64.9° |
| C12 | C11 | C10 | C23 | 43.8° | 114.7° |
| C12 | C11 | C22 | H221 | 178.5° | 180.0° |
| C22 | C11 | C10 | C06 | 41.9° | 115.3° |
| C22 | C11 | C10 | C23 | 134.5° | 65.0° |
| C22 | C11 | C12 | H121 | 177.9° | 179.8° |
| C11 | C22 | C21 | H211 | 179.5° | 179.8° |
| O08 | C07 | O09 | C06 | 174.4° | 179.9° |
| O08 | C07 | C06 | C10 | 35.3° | 0.1° |
| O08 | C07 | C06 | N05 | 138.8° | 180.0° |
| O08 | C07 | O09 | H2 | 0.0° | 0.0° |
| C11 | C10 | C06 | C07 | 7.8° | 0.4° |
| C11 | C10 | C06 | C23 | 177.0° | 179.7° |
| C11 | C10 | C06 | N05 | 177.5° | 179.7° |
| C11 | C10 | C23 | C24 | 3.3° | 0.3° |
| C11 | C10 | C23 | C04 | 177.8° | 179.7° |
| C10 | C11 | C12 | H121 | 0.5° | 0.0° |
| C10 | C11 | C22 | H221 | 0.1° | 0.2° |
| O09 | C07 | C06 | C10 | 150.3° | 180.0° |
| O09 | C07 | C06 | N05 | 35.6° | 0.1° |
| C07 | C06 | C10 | N05 | 174.8° | 179.9° |
| C07 | C06 | C10 | C23 | 175.3° | 180.0° |
| C07 | C06 | N05 | C04 | 175.1° | 179.9° |
| C07 | C06 | N05 | H051 | 4.9° | 0.1° |
| C06 | C07 | O09 | H2 | 174.5° | 179.9° |
| C06 | C10 | C23 | C24 | 179.7° | 180.0° |
| C06 | C10 | C23 | C04 | 0.9° | 0.0° |
| C10 | C06 | N05 | C04 | 0.1° | 0.0° |
| C10 | C06 | N05 | H051 | 179.9° | 180.0° |
| C23 | C10 | C06 | N05 | 0.5° | 0.0° |
| C10 | C23 | C24 | C04 | 178.7° | 180.0° |
| C10 | C23 | C24 | C25 | 176.9° | 180.0° |
| C10 | C23 | C04 | N05 | 0.9° | 0.0° |
| C10 | C23 | C04 | C03 | 178.0° | 180.0° |
| C10 | C23 | C24 | H241 | 3.1° | 0.0° |
| C06 | N05 | C04 | C23 | 0.6° | 0.0° |
| C06 | N05 | C04 | H051 | 180.0° | 180.0° |
| C06 | N05 | C04 | C03 | 178.1° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C24 | C23 | C04 | N05 | 180.0° | 180.0° |
| C24 | C23 | C04 | C03 | 1.1° | 0.0° |
| C23 | C24 | C25 | C26 | 1.7° | 0.1° |
| C23 | C24 | C25 | H251 | 178.3° | 180.0° |
| C04 | C23 | C24 | C25 | 1.8° | 0.0° |
| C23 | C04 | N05 | C03 | 178.8° | 179.9° |
| C23 | C04 | C03 | C26 | 0.1° | 0.1° |
| C23 | C04 | C03 | C02 | 179.9° | 180.0° |
| C04 | C23 | C24 | H241 | 178.2° | 180.0° |
| C23 | C04 | N05 | H051 | 179.4° | 180.0° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | C03 | 0.8° | 0.1° |
| C24 | C25 | C26 | H261 | 179.2° | 179.9° |
| N05 | C04 | C03 | C26 | 178.8° | 180.0° |
| N05 | C04 | C03 | C02 | 1.2° | 0.1° |
| C04 | C03 | C26 | C25 | 0.0° | 0.1° |
| C04 | C03 | C26 | C02 | 180.0° | 179.9° |
| C04 | C03 | C02 | N27 | 96.3° | 76.0° |
| C04 | C03 | C02 | C01 | 136.7° | 164.1° |
| C04 | C03 | C26 | H261 | 180.0° | 179.9° |
| C04 | C03 | C02 | H021 | 19.1° | 44.1° |
| C03 | C04 | N05 | H051 | 1.9° | 0.0° |
| C25 | C26 | C03 | H261 | 180.0° | 180.0° |
| C25 | C26 | C03 | C02 | 180.0° | 180.0° |
| C26 | C25 | C24 | H241 | 178.3° | 179.9° |
| O29 | C28 | C30 | N27 | 179.4° | 179.8° |
| O29 | C28 | C30 | N31 | 180.0° | 179.8° |
| O29 | C28 | N27 | C02 | 1.5° | 0.2° |
| O29 | C28 | N27 | C36 | 178.4° | 179.8° |
| O29 | C28 | C30 | H301 | 60.7° | 61.7° |
| O29 | C28 | C30 | H302 | 60.7° | 61.2° |
| C26 | C03 | C02 | N27 | 83.7° | 104.0° |
| C26 | C03 | C02 | C01 | 43.3° | 16.0° |
| C03 | C26 | C25 | H251 | 179.2° | 180.0° |
| C26 | C03 | C02 | H021 | 160.9° | 136.0° |
| C03 | C02 | N27 | C28 | 89.9° | 57.6° |
| C03 | C02 | N27 | C01 | 127.4° | 120.0° |
| C03 | C02 | N27 | H021 | 115.0° | 120.1° |
| C03 | C02 | N27 | C36 | 86.2° | 122.5° |
| C03 | C02 | C01 | H021 | 117.5° | 120.0° |
| C02 | C03 | C26 | H261 | 0.0° | 0.0° |
| C03 | C02 | C01 | H013 | 180.0° | 60.0° |
| C03 | C02 | C01 | H011 | 60.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 179.9° |
| C28 | C30 | N31 | H301 | 119.3° | 118.5° |
| C28 | C30 | N31 | H302 | 119.3° | 118.6° |
| C30 | C28 | N27 | C02 | 179.1° | 180.0° |
| C30 | C28 | N27 | C36 | 2.2° | 0.0° |
| C28 | C30 | N31 | C36 | 1.2° | 0.0° |
| C28 | C30 | N31 | C32 | 176.3° | 179.9° |
| C28 | C30 | H301 | H302 | 122.0° | 122.9° |
| N27 | C28 | C30 | N31 | 0.6° | 0.0° |
| C28 | N27 | C02 | C36 | 176.1° | 179.9° |
| C28 | N27 | C02 | C01 | 142.7° | 62.4° |
| C28 | N27 | C36 | N31 | 2.9° | 0.0° |
| C28 | N27 | C36 | O37 | 176.3° | 180.0° |
| C28 | N27 | C02 | H021 | 25.0° | 177.6° |
| N27 | C28 | C30 | H301 | 118.7° | 118.5° |
| N27 | C28 | C30 | H302 | 119.9° | 118.6° |
| C30 | N31 | C36 | N27 | 2.6° | 0.0° |
| C30 | N31 | C36 | C32 | 175.1° | 179.9° |
| C30 | N31 | C36 | O37 | 176.6° | 180.0° |
| C30 | N31 | C32 | C33 | 65.2° | 90.0° |
| N31 | C30 | H301 | H302 | 122.1° | 122.9° |
| C30 | N31 | C32 | H321 | 55.7° | 30.0° |
| C30 | N31 | C32 | H322 | 173.9° | 150.0° |
| N27 | C02 | C01 | H021 | 117.9° | 120.0° |
| C02 | N27 | C36 | N31 | 179.5° | 180.0° |
| C02 | N27 | C36 | O37 | 0.4° | 0.0° |
| N27 | C02 | C01 | H013 | 55.3° | 60.0° |
| N27 | C02 | C01 | H011 | 64.7° | 180.0° |
| N27 | C02 | C01 | H012 | 175.3° | 60.0° |
| C36 | N27 | C02 | C01 | 41.2° | 117.5° |
| N27 | C36 | N31 | O37 | 179.1° | 180.0° |
| N27 | C36 | N31 | C32 | 177.6° | 179.9° |
| C36 | N27 | C02 | H021 | 158.8° | 2.4° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 119.9° |
| C36 | N31 | C32 | C33 | 120.5° | 90.1° |
| C36 | N31 | C30 | H301 | 120.5° | 118.5° |
| C36 | N31 | C30 | H302 | 118.1° | 118.6° |
| C36 | N31 | C32 | H321 | 118.6° | 149.9° |
| C36 | N31 | C32 | H322 | 0.4° | 29.9° |
| C32 | N31 | C36 | O37 | 1.5° | 0.1° |
| N31 | C32 | C33 | H321 | 120.9° | 120.0° |
| N31 | C32 | C33 | H322 | 120.9° | 120.0° |
| N31 | C32 | C33 | C34 | 158.2° | 180.0° |
| C32 | N31 | C30 | H301 | 64.4° | 61.4° |
| C32 | N31 | C30 | H302 | 57.0° | 61.5° |
| N31 | C32 | H321 | H322 | 117.1° | 120.0° |
| N31 | C32 | C33 | H331 | 38.0° | 60.0° |
| N31 | C32 | C33 | H332 | 81.5° | 60.0° |
| C32 | C33 | C34 | H331 | 120.2° | 120.0° |
| C32 | C33 | C34 | H332 | 120.2° | 120.0° |
| C32 | C33 | C34 | N35 | 167.3° | 180.0° |
| C33 | C32 | H321 | H322 | 117.1° | 120.0° |
| C32 | C33 | H331 | H332 | 119.2° | 120.0° |
| C32 | C33 | C34 | H342 | 47.0° | 60.0° |
| C32 | C33 | C34 | H341 | 72.5° | 60.0° |
| C33 | C34 | N35 | H342 | 120.2° | 120.0° |
| C33 | C34 | N35 | H341 | 120.2° | 120.0° |
| C34 | C33 | C32 | H321 | 80.9° | 60.0° |
| C34 | C33 | C32 | H322 | 37.3° | 60.0° |
| C34 | C33 | H331 | H332 | 119.3° | 120.0° |
| C33 | C34 | H342 | H341 | 119.4° | 120.0° |
| C33 | C34 | N35 | H352 | 180.0° | 56.1° |
| C33 | C34 | N35 | H1 | 60.0° | 180.0° |
| N35 | C34 | C33 | H331 | 72.5° | 60.0° |
| N35 | C34 | C33 | H332 | 47.0° | 60.0° |
| N35 | C34 | H342 | H341 | 119.3° | 120.0° |
| C34 | N35 | H352 | H1 | 120.0° | 123.9° |
| H183 | C18 | H181 | H182 | 120.0° | 119.9° |
| H211 | C21 | C22 | H221 | 0.5° | 0.3° |
| H241 | C24 | C25 | H251 | 1.7° | 0.0° |
| H251 | C25 | C26 | H261 | 0.8° | 0.0° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H013 | C01 | C02 | H021 | 62.5° | 180.0° |
| H011 | C01 | C02 | H021 | 177.5° | 60.0° |
| H012 | C01 | C02 | H021 | 57.4° | 60.0° |
| H321 | C32 | C33 | H331 | 158.9° | 60.0° |
| H321 | C32 | C33 | H332 | 39.4° | 180.0° |
| H322 | C32 | C33 | H331 | 83.0° | 180.0° |
| H322 | C32 | C33 | H332 | 157.6° | 60.0° |
| H331 | C33 | C34 | H342 | 167.3° | NaN° |
| H331 | C33 | C34 | H341 | 47.7° | 60.0° |
| H332 | C33 | C34 | H342 | 73.2° | 60.0° |
| H332 | C33 | C34 | H341 | 167.2° | 180.0° |
| H342 | C34 | N35 | H352 | 59.8° | 63.9° |
| H342 | C34 | N35 | H1 | 179.8° | 60.0° |
| H341 | C34 | N35 | H352 | 59.8° | 176.0° |
| H341 | C34 | N35 | H1 | 60.3° | 60.0° |
