YUQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | S16 | doub | 1.42Å | 1.46Å | |
| O19 | S16 | doub | 1.42Å | 1.46Å | |
| S16 | C17 | sing | 1.81Å | 1.81Å | |
| S16 | N15 | sing | 1.66Å | 1.70Å | |
| N15 | C14 | sing | 1.40Å | 1.45Å | |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C20 | sing | 1.39Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| F21 | C20 | sing | 1.35Å | 1.37Å | |
| C20 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.36Å | Aromatic |
| C22 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.51Å | |
| O09 | C07 | doub | 1.22Å | 1.27Å | |
| C07 | C06 | sing | 1.46Å | 1.48Å | |
| C07 | O08 | sing | 1.35Å | 1.24Å | |
| C10 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C23 | sing | 1.47Å | 1.41Å | Aromatic |
| C06 | N05 | sing | 1.38Å | 1.31Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | C04 | sing | 1.41Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.37Å | 1.38Å | Aromatic |
| N05 | C04 | sing | 1.38Å | 1.35Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
| O37 | C36 | doub | 1.22Å | 1.19Å | |
| C03 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.55Å | |
| C36 | O35 | sing | 1.35Å | 1.39Å | |
| C36 | N27 | sing | 1.34Å | 1.40Å | |
| O35 | C29 | sing | 1.45Å | 1.42Å | |
| C30 | C29 | sing | 1.53Å | 1.50Å | |
| C30 | C31 | sing | 1.54Å | 1.51Å | |
| N27 | C02 | sing | 1.46Å | 1.45Å | |
| N27 | C28 | sing | 1.47Å | 1.46Å | |
| C02 | C01 | sing | 1.53Å | 1.48Å | |
| C29 | C28 | sing | 1.53Å | 1.50Å | |
| C29 | C34 | sing | 1.53Å | 1.50Å | |
| C31 | C34 | sing | 1.54Å | 1.50Å | |
| C31 | C32 | sing | 1.53Å | 1.49Å | |
| N33 | C32 | sing | 1.47Å | 1.45Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | 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 | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | 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 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | 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 | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N33 | H332 | sing | 1.01Å | 1.00Å | |
| N33 | H1 | sing | 1.01Å | 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 | 105.4° | 121.0° |
| O18 | S16 | C17 | 109.9° | 110.5° |
| O18 | S16 | N15 | 111.5° | 104.3° |
| O19 | S16 | C17 | 113.0° | 110.5° |
| O19 | S16 | N15 | 109.9° | 104.3° |
| C17 | S16 | N15 | 107.2° | 104.4° |
| S16 | C17 | H173 | 109.5° | 109.4° |
| S16 | C17 | H172 | 109.4° | 109.5° |
| S16 | C17 | H171 | 109.4° | 109.5° |
| S16 | N15 | C14 | 116.2° | 120.0° |
| S16 | N15 | H151 | 107.7° | 120.0° |
| N15 | C14 | C13 | 120.9° | 119.9° |
| N15 | C14 | C20 | 118.3° | 119.9° |
| C14 | N15 | H151 | 107.8° | 120.0° |
| C13 | C14 | C20 | 120.8° | 120.1° |
| C14 | C13 | C12 | 119.3° | 120.1° |
| C14 | C13 | H131 | 120.4° | 120.0° |
| C14 | C20 | F21 | 123.1° | 120.0° |
| C14 | C20 | C22 | 118.4° | 120.0° |
| C13 | C12 | C11 | 119.2° | 120.0° |
| C13 | C12 | H121 | 120.4° | 120.0° |
| C12 | C13 | H131 | 120.4° | 120.0° |
| F21 | C20 | C22 | 118.5° | 120.0° |
| C20 | C22 | C11 | 121.8° | 119.9° |
| C20 | C22 | H221 | 119.1° | 120.1° |
| C12 | C11 | C22 | 120.4° | 119.9° |
| C12 | C11 | C10 | 125.3° | 120.1° |
| C11 | C12 | H121 | 120.4° | 120.0° |
| C22 | C11 | C10 | 114.2° | 120.0° |
| C11 | C22 | H221 | 119.1° | 120.1° |
| C11 | C10 | C06 | 124.4° | 126.8° |
| C11 | C10 | C23 | 128.8° | 126.8° |
| O09 | C07 | C06 | 115.8° | 120.0° |
| O09 | C07 | O08 | 124.6° | 120.0° |
| C06 | C07 | O08 | 118.3° | 120.0° |
| C07 | C06 | C10 | 130.3° | 125.5° |
| C07 | C06 | N05 | 119.6° | 125.5° |
| C07 | O08 | H2 | 109.5° | 114.0° |
| C06 | C10 | C23 | 106.7° | 106.4° |
| C10 | C06 | N05 | 110.0° | 108.9° |
| C10 | C23 | C24 | 134.8° | 133.5° |
| C10 | C23 | C04 | 104.9° | 106.5° |
| C06 | N05 | C04 | 109.3° | 110.1° |
| C06 | N05 | H051 | 125.3° | 124.9° |
| C24 | C23 | C04 | 120.3° | 120.0° |
| C23 | C24 | C25 | 117.7° | 119.8° |
| C23 | C24 | H241 | 121.2° | 120.1° |
| C23 | C04 | N05 | 109.0° | 108.0° |
| C23 | C04 | C03 | 122.4° | 119.2° |
| C24 | C25 | C26 | 121.6° | 120.5° |
| C25 | C24 | H241 | 121.2° | 120.1° |
| C24 | C25 | H251 | 119.2° | 119.7° |
| N05 | C04 | C03 | 128.5° | 132.8° |
| C04 | N05 | H051 | 125.3° | 125.0° |
| C04 | C03 | C26 | 116.2° | 119.8° |
| C04 | C03 | C02 | 120.0° | 120.1° |
| C25 | C26 | C03 | 121.8° | 120.7° |
| C26 | C25 | H251 | 119.2° | 119.8° |
| C25 | C26 | H261 | 119.1° | 119.6° |
| O37 | C36 | O35 | 124.9° | 123.0° |
| O37 | C36 | N27 | 126.3° | 123.2° |
| C26 | C03 | C02 | 123.8° | 120.1° |
| C03 | C26 | H261 | 119.1° | 119.7° |
| C03 | C02 | N27 | 107.2° | 109.5° |
| C03 | C02 | C01 | 113.9° | 109.4° |
| C03 | C02 | H021 | 107.0° | 109.4° |
| O35 | C36 | N27 | 108.7° | 113.8° |
| C36 | O35 | C29 | 110.4° | 108.9° |
| C36 | N27 | C02 | 121.3° | 125.6° |
| C36 | N27 | C28 | 108.0° | 108.8° |
| O35 | C29 | C30 | 114.4° | 116.2° |
| O35 | C29 | C28 | 104.8° | 105.0° |
| O35 | C29 | C34 | 114.4° | 116.2° |
| C29 | C30 | C31 | 89.6° | 86.8° |
| C30 | C29 | C28 | 119.3° | 115.6° |
| C30 | C29 | C34 | 89.2° | 88.1° |
| C29 | C30 | H302 | 114.2° | 113.7° |
| C29 | C30 | H301 | 114.2° | 113.7° |
| C30 | C31 | C34 | 88.5° | 87.2° |
| C30 | C31 | C32 | 115.2° | 113.6° |
| C31 | C30 | H302 | 114.2° | 113.7° |
| C31 | C30 | H301 | 114.2° | 113.6° |
| C30 | C31 | H311 | 111.9° | 113.6° |
| C02 | N27 | C28 | 128.5° | 125.6° |
| N27 | C02 | C01 | 112.5° | 109.5° |
| N27 | C02 | H021 | 108.1° | 109.5° |
| N27 | C28 | C29 | 104.9° | 103.5° |
| N27 | C28 | H282 | 110.6° | 110.6° |
| N27 | C28 | H281 | 110.6° | 110.7° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C01 | C02 | H021 | 107.8° | 109.5° |
| C28 | C29 | C34 | 114.8° | 115.7° |
| C29 | C28 | H282 | 110.6° | 110.6° |
| C29 | C28 | H281 | 110.6° | 110.7° |
| C29 | C34 | C31 | 89.9° | 86.8° |
| C29 | C34 | H342 | 114.1° | 113.7° |
| C29 | C34 | H341 | 114.1° | 113.7° |
| C34 | C31 | C32 | 114.9° | 113.6° |
| C34 | C31 | H311 | 112.0° | 113.6° |
| C31 | C34 | H342 | 114.1° | 113.6° |
| C31 | C34 | H341 | 114.1° | 113.6° |
| C31 | C32 | N33 | 110.6° | 109.5° |
| C32 | C31 | H311 | 112.3° | 112.8° |
| C31 | C32 | H321 | 109.2° | 109.5° |
| C31 | C32 | H322 | 109.2° | 109.4° |
| N33 | C32 | H321 | 109.1° | 109.5° |
| N33 | C32 | H322 | 109.2° | 109.5° |
| C32 | N33 | H332 | 109.5° | 111.0° |
| C32 | N33 | H1 | 109.4° | 111.0° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H173 | C17 | H172 | 109.5° | 109.4° |
| H173 | C17 | H171 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 110.6° |
| H302 | C30 | H301 | 109.4° | 112.9° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.4° | 113.0° |
| H332 | N33 | H1 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | S16 | O19 | C17 | 120.1° | 131.5° |
| O18 | S16 | O19 | N15 | 120.3° | 116.8° |
| O18 | S16 | C17 | N15 | 121.3° | 111.6° |
| O18 | S16 | N15 | C14 | 168.9° | 55.5° |
| O18 | S16 | C17 | H173 | 180.0° | 51.7° |
| O18 | S16 | C17 | H172 | 60.0° | 171.6° |
| O18 | S16 | C17 | H171 | 60.0° | 68.3° |
| O18 | S16 | N15 | H151 | 47.9° | 124.5° |
| O19 | S16 | C17 | N15 | 121.2° | 111.7° |
| O19 | S16 | N15 | C14 | 52.4° | 176.7° |
| O19 | S16 | C17 | H173 | 62.6° | 171.6° |
| O19 | S16 | C17 | H172 | 177.4° | 51.7° |
| O19 | S16 | C17 | H171 | 57.4° | 68.4° |
| O19 | S16 | N15 | H151 | 68.6° | 3.4° |
| C17 | S16 | N15 | C14 | 70.7° | 60.6° |
| S16 | C17 | H173 | H172 | 120.0° | 120.0° |
| S16 | C17 | H173 | H171 | 120.0° | 120.0° |
| S16 | C17 | H172 | H171 | 120.0° | 120.0° |
| C17 | S16 | N15 | H151 | 168.3° | 119.5° |
| S16 | N15 | C14 | H151 | 121.0° | 180.0° |
| S16 | N15 | C14 | C13 | 78.5° | 35.3° |
| S16 | N15 | C14 | C20 | 99.5° | 144.7° |
| N15 | S16 | C17 | H173 | 58.7° | 60.0° |
| N15 | S16 | C17 | H172 | 61.3° | 60.0° |
| N15 | S16 | C17 | H171 | 178.7° | 180.0° |
| N15 | C14 | C13 | C20 | 178.0° | 180.0° |
| N15 | C14 | C13 | C12 | 178.9° | 180.0° |
| N15 | C14 | C20 | F21 | 1.0° | 0.1° |
| N15 | C14 | C20 | C22 | 180.0° | 179.7° |
| N15 | C14 | C13 | H131 | 1.1° | 0.0° |
| C14 | C13 | C12 | H131 | 180.0° | 180.0° |
| C13 | C14 | C20 | F21 | 179.0° | 180.0° |
| C13 | C14 | C20 | C22 | 2.0° | 0.3° |
| C14 | C13 | C12 | C11 | 1.6° | 0.0° |
| C14 | C13 | C12 | H121 | 178.4° | 179.9° |
| C13 | C14 | N15 | H151 | 42.5° | 144.7° |
| C20 | C14 | C13 | C12 | 1.0° | 0.0° |
| C14 | C20 | F21 | C22 | 179.1° | 179.8° |
| C14 | C20 | C22 | C11 | 3.7° | 0.5° |
| C20 | C14 | C13 | H131 | 179.1° | 179.9° |
| C14 | C20 | C22 | H221 | 176.3° | 180.0° |
| C20 | C14 | N15 | H151 | 139.5° | 35.4° |
| C13 | C12 | C11 | H121 | 180.0° | 179.9° |
| C13 | C12 | C11 | C22 | 3.4° | 0.3° |
| C13 | C12 | C11 | C10 | 179.3° | 180.0° |
| F21 | C20 | C22 | C11 | 177.1° | 179.7° |
| F21 | C20 | C22 | H221 | 2.9° | 0.2° |
| C20 | C22 | C11 | C12 | 4.5° | 0.5° |
| C20 | C22 | C11 | H221 | 180.0° | 179.5° |
| C20 | C22 | C11 | C10 | 179.1° | 179.7° |
| C12 | C11 | C22 | C10 | 176.4° | 179.8° |
| C12 | C11 | C10 | C06 | 146.3° | 64.9° |
| C12 | C11 | C10 | C23 | 37.6° | 114.7° |
| C11 | C12 | C13 | H131 | 178.4° | 180.0° |
| C12 | C11 | C22 | H221 | 175.5° | 180.0° |
| C22 | C11 | C10 | C06 | 37.5° | 115.3° |
| C22 | C11 | C10 | C23 | 138.5° | 65.1° |
| C22 | C11 | C12 | H121 | 176.6° | 179.8° |
| C11 | C10 | C06 | C07 | 8.7° | 0.4° |
| C11 | C10 | C06 | C23 | 176.8° | 179.7° |
| C11 | C10 | C06 | N05 | 175.8° | 179.7° |
| C11 | C10 | C23 | C24 | 3.5° | 0.3° |
| C11 | C10 | C23 | C04 | 177.0° | 179.7° |
| C10 | C11 | C12 | H121 | 0.7° | 0.0° |
| C10 | C11 | C22 | H221 | 0.9° | 0.2° |
| O09 | C07 | C06 | O08 | 167.6° | 180.0° |
| O09 | C07 | C06 | C10 | 38.1° | 0.1° |
| O09 | C07 | C06 | N05 | 137.1° | 180.0° |
| O09 | C07 | O08 | H2 | 0.0° | 0.0° |
| C07 | C06 | C10 | N05 | 175.6° | 179.9° |
| C07 | C06 | C10 | C23 | 174.5° | 180.0° |
| C07 | C06 | N05 | C04 | 174.0° | 179.9° |
| C07 | C06 | N05 | H051 | 6.0° | 0.1° |
| C06 | C07 | O08 | H2 | 166.4° | 180.0° |
| O08 | C07 | C06 | C10 | 154.4° | 180.0° |
| O08 | C07 | C06 | N05 | 30.4° | 0.1° |
| C06 | C10 | C23 | C24 | 179.9° | 180.0° |
| C06 | C10 | C23 | C04 | 0.4° | 0.0° |
| C10 | C06 | N05 | C04 | 2.2° | 0.0° |
| C10 | C06 | N05 | H051 | 177.9° | 180.0° |
| C23 | C10 | C06 | N05 | 1.0° | 0.0° |
| C10 | C23 | C24 | C04 | 179.4° | 179.9° |
| C10 | C23 | C24 | C25 | 178.3° | 179.9° |
| C10 | C23 | C04 | N05 | 1.7° | 0.0° |
| C10 | C23 | C04 | C03 | 178.8° | 180.0° |
| C10 | C23 | C24 | H241 | 1.8° | 0.0° |
| C06 | N05 | C04 | C23 | 2.4° | 0.0° |
| C06 | N05 | C04 | H051 | 180.0° | 180.0° |
| C06 | N05 | C04 | C03 | 178.2° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C24 | C23 | C04 | N05 | 178.7° | 180.0° |
| C24 | C23 | C04 | C03 | 0.7° | 0.0° |
| C23 | C24 | C25 | C26 | 0.9° | 0.0° |
| C23 | C24 | C25 | H251 | 179.2° | 180.0° |
| C04 | C23 | C24 | C25 | 1.1° | 0.0° |
| C23 | C04 | N05 | C03 | 179.4° | 180.0° |
| C23 | C04 | C03 | C26 | 0.0° | 0.1° |
| C23 | C04 | C03 | C02 | 179.7° | 180.0° |
| C04 | C23 | C24 | H241 | 178.9° | 180.0° |
| C23 | C04 | N05 | H051 | 177.6° | 179.9° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | C03 | 0.2° | 0.0° |
| C24 | C25 | C26 | H261 | 179.8° | 180.0° |
| N05 | C04 | C03 | C26 | 179.4° | 180.0° |
| N05 | C04 | C03 | C02 | 1.0° | 0.0° |
| C04 | C03 | C26 | C25 | 0.3° | 0.0° |
| C04 | C03 | C26 | C02 | 179.6° | 180.0° |
| C04 | C03 | C02 | N27 | 96.5° | 76.1° |
| C04 | C03 | C02 | C01 | 138.4° | 163.9° |
| C04 | C03 | C02 | H021 | 19.4° | 43.9° |
| C04 | C03 | C26 | H261 | 179.7° | 180.0° |
| C03 | C04 | N05 | H051 | 1.8° | 0.0° |
| C25 | C26 | C03 | H261 | 180.0° | 180.0° |
| C25 | C26 | C03 | C02 | 179.9° | 180.0° |
| C26 | C25 | C24 | H241 | 179.1° | 180.0° |
| O37 | C36 | O35 | N27 | 177.3° | 180.0° |
| O37 | C36 | O35 | C29 | 178.6° | 180.0° |
| O37 | C36 | N27 | C02 | 5.1° | 0.1° |
| O37 | C36 | N27 | C28 | 169.5° | 179.9° |
| C26 | C03 | C02 | N27 | 83.1° | 103.9° |
| C26 | C03 | C02 | C01 | 42.0° | 16.1° |
| C26 | C03 | C02 | H021 | 161.0° | 136.1° |
| C03 | C26 | C25 | H251 | 179.9° | 180.0° |
| C03 | C02 | N27 | C36 | 82.6° | 61.0° |
| C03 | C02 | N27 | C01 | 126.0° | 120.0° |
| C03 | C02 | N27 | H021 | 115.1° | 120.0° |
| C03 | C02 | N27 | C28 | 78.4° | 119.0° |
| C03 | C02 | C01 | H021 | 118.6° | 119.9° |
| C03 | C02 | C01 | H011 | 180.0° | 60.0° |
| C03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 180.0° |
| C02 | C03 | C26 | H261 | 0.1° | 0.0° |
| C36 | O35 | C29 | C30 | 146.2° | 129.1° |
| O35 | C36 | N27 | C02 | 172.1° | 180.0° |
| O35 | C36 | N27 | C28 | 7.7° | 0.0° |
| C36 | O35 | C29 | C28 | 13.7° | 0.0° |
| C36 | O35 | C29 | C34 | 112.9° | 129.3° |
| N27 | C36 | O35 | C29 | 4.1° | 0.0° |
| C36 | N27 | C02 | C28 | 161.0° | 180.0° |
| C36 | N27 | C02 | C01 | 151.4° | 59.0° |
| C36 | N27 | C28 | C29 | 15.7° | 0.0° |
| C36 | N27 | C02 | H021 | 32.5° | 179.1° |
| C36 | N27 | C28 | H282 | 103.6° | 118.5° |
| C36 | N27 | C28 | H281 | 135.0° | 118.6° |
| O35 | C29 | C30 | C28 | 125.2° | 123.8° |
| O35 | C29 | C30 | C34 | 116.6° | 118.4° |
| O35 | C29 | C30 | C31 | 104.1° | 93.6° |
| O35 | C29 | C28 | N27 | 17.7° | 0.0° |
| O35 | C29 | C28 | C34 | 126.3° | 129.5° |
| O35 | C29 | C34 | C31 | 104.1° | 93.6° |
| O35 | C29 | C28 | H282 | 101.6° | 118.5° |
| O35 | C29 | C28 | H281 | 136.9° | 118.6° |
| O35 | C29 | C30 | H302 | 12.4° | 20.9° |
| O35 | C29 | C30 | H301 | 139.4° | 152.0° |
| O35 | C29 | C34 | H342 | 139.4° | 152.0° |
| O35 | C29 | C34 | H341 | 12.5° | 20.9° |
| C29 | C30 | C31 | H302 | 116.5° | 114.6° |
| C29 | C30 | C31 | H301 | 116.5° | 114.5° |
| C30 | C29 | C28 | N27 | 147.3° | 129.5° |
| C30 | C29 | C28 | C34 | 104.0° | 101.0° |
| C29 | C30 | C31 | C34 | 12.5° | 24.7° |
| C29 | C30 | C31 | C32 | 129.3° | 139.3° |
| C30 | C29 | C28 | H282 | 28.0° | 112.0° |
| C30 | C29 | C28 | H281 | 93.4° | 10.9° |
| C29 | C30 | H302 | H301 | 129.4° | 131.5° |
| C29 | C30 | C31 | H311 | 100.7° | 89.9° |
| C30 | C29 | C34 | H342 | 104.0° | 89.5° |
| C30 | C29 | C34 | H341 | 129.1° | 139.3° |
| C31 | C30 | C29 | C28 | 130.8° | 142.6° |
| C30 | C31 | C34 | C32 | 117.2° | 114.6° |
| C30 | C31 | C34 | H311 | 113.1° | 114.6° |
| C30 | C31 | C32 | H311 | 129.7° | 131.2° |
| C30 | C31 | C32 | N33 | 87.3° | 175.0° |
| C31 | C30 | H302 | H301 | 129.4° | 131.3° |
| C30 | C31 | C32 | H321 | 32.9° | 55.0° |
| C30 | C31 | C32 | H322 | 152.6° | 65.0° |
| C30 | C31 | C34 | H342 | 104.1° | 89.8° |
| C30 | C31 | C34 | H341 | 129.0° | 139.2° |
| N27 | C02 | C01 | H021 | 119.1° | 120.1° |
| C02 | N27 | C28 | C29 | 178.7° | 180.0° |
| N27 | C02 | C01 | H011 | 57.7° | 60.0° |
| N27 | C02 | C01 | H013 | 62.3° | 180.0° |
| N27 | C02 | C01 | H012 | 177.7° | 60.0° |
| C02 | N27 | C28 | H282 | 59.4° | 61.5° |
| C02 | N27 | C28 | H281 | 62.0° | 61.4° |
| C28 | N27 | C02 | C01 | 47.6° | 121.0° |
| N27 | C28 | C29 | H282 | 119.3° | 118.5° |
| N27 | C28 | C29 | H281 | 119.2° | 118.6° |
| N27 | C28 | C29 | C34 | 108.7° | 129.6° |
| C28 | N27 | C02 | H021 | 166.5° | 1.0° |
| N27 | C28 | H282 | H281 | 122.1° | 122.9° |
| C02 | C01 | H011 | H013 | 120.0° | 120.1° |
| C02 | C01 | H011 | H012 | 120.0° | 119.9° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C28 | C29 | C34 | C31 | 134.7° | 142.6° |
| C29 | C28 | H282 | H281 | 122.1° | 123.0° |
| C28 | C29 | C30 | H302 | 112.7° | 102.9° |
| C28 | C29 | C30 | H301 | 14.3° | 28.1° |
| C28 | C29 | C34 | H342 | 18.2° | 28.1° |
| C28 | C29 | C34 | H341 | 108.7° | 103.0° |
| C29 | C34 | C31 | H342 | 116.6° | 114.5° |
| C29 | C34 | C31 | H341 | 116.6° | 114.5° |
| C29 | C34 | C31 | C32 | 129.6° | 139.3° |
| C34 | C29 | C28 | H282 | 132.0° | 11.1° |
| C34 | C29 | C28 | H281 | 10.6° | 111.8° |
| C34 | C29 | C30 | H302 | 129.0° | 139.4° |
| C34 | C29 | C30 | H301 | 104.0° | 89.6° |
| C29 | C34 | C31 | H311 | 100.6° | 89.9° |
| C29 | C34 | H342 | H341 | 129.3° | 131.5° |
| C34 | C31 | C32 | H311 | 129.6° | 131.1° |
| C34 | C31 | C32 | N33 | 172.1° | 87.3° |
| C34 | C31 | C30 | H302 | 128.9° | 139.2° |
| C34 | C31 | C30 | H301 | 104.1° | 89.8° |
| C34 | C31 | C32 | H321 | 67.8° | 152.7° |
| C34 | C31 | C32 | H322 | 51.9° | 32.7° |
| C31 | C34 | H342 | H341 | 129.2° | 131.4° |
| C31 | C32 | N33 | H321 | 120.2° | 120.0° |
| C31 | C32 | N33 | H322 | 120.2° | 119.9° |
| C32 | C31 | C30 | H302 | 114.2° | 106.2° |
| C32 | C31 | C30 | H301 | 12.8° | 24.8° |
| C31 | C32 | H321 | H322 | 119.5° | 119.9° |
| C32 | C31 | C34 | H342 | 13.1° | 24.8° |
| C32 | C31 | C34 | H341 | 113.8° | 106.2° |
| C31 | C32 | N33 | H332 | 180.0° | 180.0° |
| C31 | C32 | N33 | H1 | 60.0° | 56.0° |
| N33 | C32 | C31 | H311 | 42.5° | 43.8° |
| N33 | C32 | H321 | H322 | 119.5° | 120.0° |
| C32 | N33 | H332 | H1 | 120.0° | 123.9° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 61.5° | 179.9° |
| H013 | C01 | C02 | H021 | 178.5° | 59.9° |
| H012 | C01 | C02 | H021 | 58.5° | 60.1° |
| H121 | C12 | C13 | H131 | 1.6° | 0.1° |
| H173 | C17 | H172 | H171 | 120.0° | 120.0° |
| H241 | C24 | C25 | H251 | 0.9° | 0.0° |
| H251 | C25 | C26 | H261 | 0.2° | 0.0° |
| H302 | C30 | C31 | H311 | 15.7° | 24.7° |
| H301 | C30 | C31 | H311 | 142.7° | 155.6° |
| H311 | C31 | C32 | H321 | 162.6° | 76.2° |
| H311 | C31 | C32 | H322 | 77.7° | 163.8° |
| H311 | C31 | C34 | H342 | 142.8° | 155.6° |
| H311 | C31 | C34 | H341 | 16.0° | 24.5° |
| H321 | C32 | N33 | H332 | 59.8° | 60.0° |
| H321 | C32 | N33 | H1 | 179.8° | 176.0° |
| H322 | C32 | N33 | H332 | 59.8° | 60.0° |
| H322 | C32 | N33 | H1 | 60.2° | 63.9° |
