YU8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | S14 | doub | 1.42Å | 1.45Å | |
| S14 | O16 | doub | 1.42Å | 1.46Å | |
| S14 | C15 | sing | 1.81Å | 1.81Å | |
| S14 | C13 | sing | 1.81Å | 1.81Å | |
| C13 | C12 | sing | 1.51Å | 1.55Å | |
| F19 | C18 | sing | 1.35Å | 1.36Å | |
| C12 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C09 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.48Å | 1.42Å | |
| O23 | C22 | doub | 1.22Å | 1.28Å | |
| C22 | C21 | sing | 1.47Å | 1.51Å | |
| C22 | O24 | sing | 1.35Å | 1.26Å | |
| C08 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C08 | C07 | sing | 1.47Å | 1.43Å | Aromatic |
| C21 | N25 | sing | 1.38Å | 1.32Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
| C07 | C26 | sing | 1.41Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.37Å | 1.40Å | Aromatic |
| N25 | C26 | sing | 1.38Å | 1.33Å | Aromatic |
| C26 | C03 | doub | 1.39Å | 1.41Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| O37 | C36 | doub | 1.22Å | 1.18Å | |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.55Å | |
| C36 | O35 | sing | 1.34Å | 1.40Å | |
| C36 | N27 | sing | 1.35Å | 1.43Å | |
| O35 | C29 | sing | 1.45Å | 1.42Å | |
| C34 | C29 | sing | 1.53Å | 1.52Å | |
| C34 | C31 | sing | 1.54Å | 1.49Å | |
| N27 | C02 | sing | 1.46Å | 1.44Å | |
| N27 | C28 | sing | 1.47Å | 1.43Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.50Å | |
| C29 | C30 | sing | 1.53Å | 1.49Å | |
| C31 | C32 | sing | 1.53Å | 1.48Å | |
| C31 | C30 | sing | 1.54Å | 1.51Å | |
| C32 | N33 | sing | 1.47Å | 1.45Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| N25 | H251 | sing | 0.97Å | 1.00Å | |
| N33 | H1 | sing | 1.01Å | 1.00Å | |
| N33 | H332 | sing | 1.01Å | 1.00Å | |
| O24 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | S14 | O16 | 110.3° | 119.3° |
| O17 | S14 | C15 | 108.3° | 108.6° |
| O17 | S14 | C13 | 113.4° | 108.6° |
| O16 | S14 | C15 | 108.6° | 108.5° |
| O16 | S14 | C13 | 109.5° | 108.6° |
| C15 | S14 | C13 | 106.6° | 101.9° |
| S14 | C15 | H151 | 109.5° | 109.5° |
| S14 | C15 | H153 | 109.5° | 109.5° |
| S14 | C15 | H152 | 109.5° | 109.5° |
| S14 | C13 | C12 | 111.5° | 109.4° |
| S14 | C13 | H131 | 109.0° | 109.5° |
| S14 | C13 | H132 | 108.9° | 109.5° |
| C13 | C12 | C18 | 122.5° | 119.8° |
| C13 | C12 | C11 | 119.2° | 119.9° |
| C12 | C13 | H131 | 108.9° | 109.5° |
| C12 | C13 | H132 | 109.0° | 109.5° |
| F19 | C18 | C12 | 120.2° | 120.0° |
| F19 | C18 | C20 | 118.5° | 119.9° |
| C18 | C12 | C11 | 118.3° | 120.3° |
| C12 | C18 | C20 | 121.3° | 120.1° |
| C12 | C11 | C10 | 120.7° | 120.2° |
| C12 | C11 | H111 | 119.6° | 119.9° |
| C18 | C20 | C09 | 120.3° | 119.8° |
| C18 | C20 | H201 | 119.9° | 120.1° |
| C11 | C10 | C09 | 122.1° | 119.9° |
| C11 | C10 | H101 | 119.0° | 120.0° |
| C10 | C11 | H111 | 119.6° | 119.9° |
| C20 | C09 | C10 | 117.4° | 119.7° |
| C20 | C09 | C08 | 123.2° | 120.1° |
| C09 | C20 | H201 | 119.9° | 120.1° |
| C10 | C09 | C08 | 119.4° | 120.1° |
| C09 | C10 | H101 | 119.0° | 120.1° |
| C09 | C08 | C21 | 127.5° | 126.8° |
| C09 | C08 | C07 | 129.7° | 126.8° |
| O23 | C22 | C21 | 114.2° | 120.0° |
| O23 | C22 | O24 | 123.1° | 120.0° |
| C21 | C22 | O24 | 121.5° | 120.0° |
| C22 | C21 | C08 | 129.6° | 125.5° |
| C22 | C21 | N25 | 118.9° | 125.5° |
| C22 | O24 | H2 | 109.5° | 114.0° |
| C21 | C08 | C07 | 102.7° | 106.4° |
| C08 | C21 | N25 | 111.3° | 109.0° |
| C08 | C07 | C06 | 133.7° | 133.6° |
| C08 | C07 | C26 | 108.1° | 106.5° |
| C21 | N25 | C26 | 109.5° | 110.1° |
| C21 | N25 | H251 | 125.3° | 125.0° |
| C06 | C07 | C26 | 118.2° | 120.0° |
| C07 | C06 | C05 | 119.1° | 119.8° |
| C07 | C06 | H061 | 120.4° | 120.1° |
| C07 | C26 | N25 | 108.4° | 108.0° |
| C07 | C26 | C03 | 123.3° | 119.2° |
| C06 | C05 | C04 | 121.6° | 120.4° |
| C06 | C05 | H051 | 119.2° | 119.8° |
| C05 | C06 | H061 | 120.5° | 120.0° |
| N25 | C26 | C03 | 128.2° | 132.8° |
| C26 | N25 | H251 | 125.2° | 124.9° |
| C26 | C03 | C04 | 117.4° | 119.8° |
| C26 | C03 | C02 | 119.4° | 120.0° |
| C05 | C04 | C03 | 120.4° | 120.7° |
| C05 | C04 | H041 | 119.8° | 119.6° |
| C04 | C05 | H051 | 119.2° | 119.8° |
| O37 | C36 | O35 | 125.7° | 123.1° |
| O37 | C36 | N27 | 126.6° | 123.0° |
| C04 | C03 | C02 | 123.2° | 120.1° |
| C03 | C04 | H041 | 119.8° | 119.6° |
| C03 | C02 | N27 | 106.1° | 109.5° |
| C03 | C02 | C01 | 113.0° | 109.5° |
| C03 | C02 | H021 | 108.5° | 109.5° |
| O35 | C36 | N27 | 107.6° | 113.9° |
| C36 | O35 | C29 | 110.4° | 109.0° |
| C36 | N27 | C02 | 121.0° | 125.6° |
| C36 | N27 | C28 | 109.2° | 108.6° |
| O35 | C29 | C34 | 116.2° | 116.2° |
| O35 | C29 | C28 | 105.6° | 105.0° |
| O35 | C29 | C30 | 114.6° | 116.2° |
| C29 | C34 | C31 | 88.9° | 86.8° |
| C34 | C29 | C28 | 116.3° | 115.7° |
| C34 | C29 | C30 | 88.3° | 88.1° |
| C29 | C34 | H342 | 114.4° | 113.6° |
| C29 | C34 | H341 | 114.4° | 113.6° |
| C34 | C31 | C32 | 112.9° | 113.6° |
| C34 | C31 | C30 | 88.2° | 87.3° |
| C34 | C31 | H311 | 112.9° | 113.7° |
| C31 | C34 | H342 | 114.3° | 113.7° |
| C31 | C34 | H341 | 114.3° | 113.7° |
| C02 | N27 | C28 | 129.1° | 125.8° |
| N27 | C02 | C01 | 110.4° | 109.4° |
| N27 | C02 | H021 | 109.9° | 109.5° |
| N27 | C28 | C29 | 105.7° | 103.5° |
| N27 | C28 | H282 | 110.4° | 110.6° |
| N27 | C28 | H281 | 110.4° | 110.6° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.5° |
| C01 | C02 | H021 | 108.9° | 109.5° |
| C28 | C29 | C30 | 115.7° | 115.7° |
| C29 | C28 | H282 | 110.4° | 110.7° |
| C29 | C28 | H281 | 110.4° | 110.7° |
| C29 | C30 | C31 | 89.0° | 86.8° |
| C29 | C30 | H301 | 114.3° | 113.7° |
| C29 | C30 | H302 | 114.3° | 113.7° |
| C32 | C31 | C30 | 115.0° | 113.6° |
| C31 | C32 | N33 | 111.6° | 109.5° |
| C32 | C31 | H311 | 113.0° | 112.8° |
| C31 | C32 | H322 | 108.9° | 109.4° |
| C31 | C32 | H321 | 108.9° | 109.5° |
| C31 | C30 | H301 | 114.3° | 113.7° |
| C31 | C30 | H302 | 114.3° | 113.7° |
| C30 | C31 | H311 | 112.5° | 113.6° |
| N33 | C32 | H322 | 109.0° | 109.4° |
| N33 | C32 | H321 | 108.9° | 109.5° |
| C32 | N33 | H1 | 109.5° | 111.0° |
| C32 | N33 | H332 | 109.5° | 111.0° |
| H282 | C28 | H281 | 109.5° | 110.6° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.4° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.4° | 109.5° |
| H153 | C15 | H152 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 112.8° |
| H322 | C32 | H321 | 109.4° | 109.5° |
| H342 | C34 | H341 | 109.5° | 113.0° |
| H1 | N33 | H332 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | S14 | O16 | C15 | 118.5° | 125.0° |
| O17 | S14 | O16 | C13 | 125.5° | 125.0° |
| O17 | S14 | C15 | C13 | 122.4° | 114.5° |
| O17 | S14 | C13 | C12 | 177.4° | 65.5° |
| O17 | S14 | C13 | H131 | 57.1° | 54.5° |
| O17 | S14 | C13 | H132 | 62.3° | 174.4° |
| O17 | S14 | C15 | H151 | 180.0° | 54.5° |
| O17 | S14 | C15 | H153 | 60.0° | 174.5° |
| O17 | S14 | C15 | H152 | 60.0° | 65.5° |
| O16 | S14 | C15 | C13 | 117.9° | 114.5° |
| O16 | S14 | C13 | C12 | 53.8° | 65.6° |
| O16 | S14 | C13 | H131 | 66.5° | 174.5° |
| O16 | S14 | C13 | H132 | 174.1° | 54.5° |
| O16 | S14 | C15 | H151 | 60.2° | 174.5° |
| O16 | S14 | C15 | H153 | 179.7° | 54.4° |
| O16 | S14 | C15 | H152 | 59.7° | 65.5° |
| C15 | S14 | C13 | C12 | 63.5° | 180.0° |
| C15 | S14 | C13 | H131 | 176.2° | 60.0° |
| C15 | S14 | C13 | H132 | 56.8° | 59.9° |
| S14 | C15 | H151 | H153 | 120.0° | 120.0° |
| S14 | C15 | H151 | H152 | 120.0° | 120.0° |
| S14 | C15 | H153 | H152 | 120.0° | 120.0° |
| S14 | C13 | C12 | H131 | 120.3° | 120.0° |
| S14 | C13 | C12 | H132 | 120.3° | 120.0° |
| S14 | C13 | C12 | C18 | 87.0° | 90.0° |
| S14 | C13 | C12 | C11 | 92.3° | 90.3° |
| S14 | C13 | H131 | H132 | 119.0° | 120.0° |
| C13 | S14 | C15 | H151 | 57.6° | 60.0° |
| C13 | S14 | C15 | H153 | 62.4° | 60.0° |
| C13 | S14 | C15 | H152 | 177.6° | 180.0° |
| C13 | C12 | C18 | F19 | 1.4° | 0.3° |
| C13 | C12 | C18 | C11 | 179.3° | 179.7° |
| C13 | C12 | C18 | C20 | 179.3° | 179.7° |
| C13 | C12 | C11 | C10 | 179.7° | 179.7° |
| C13 | C12 | C11 | H111 | 0.3° | 0.3° |
| C12 | C13 | H131 | H132 | 119.1° | 120.1° |
| F19 | C18 | C12 | C20 | 177.9° | 180.0° |
| F19 | C18 | C12 | C11 | 179.3° | 179.9° |
| F19 | C18 | C20 | C09 | 179.5° | 179.9° |
| F19 | C18 | C20 | H201 | 0.4° | 0.0° |
| C18 | C12 | C11 | C10 | 1.0° | 0.1° |
| C12 | C18 | C20 | C09 | 1.6° | 0.1° |
| C18 | C12 | C11 | H111 | 179.0° | 180.0° |
| C18 | C12 | C13 | H131 | 33.3° | 150.0° |
| C18 | C12 | C13 | H132 | 152.7° | 30.0° |
| C12 | C18 | C20 | H201 | 178.4° | 180.0° |
| C11 | C12 | C18 | C20 | 1.4° | 0.1° |
| C12 | C11 | C10 | H111 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 0.8° | 0.1° |
| C12 | C11 | C10 | H101 | 179.2° | 180.0° |
| C11 | C12 | C13 | H131 | 147.4° | 29.7° |
| C11 | C12 | C13 | H132 | 28.0° | 149.7° |
| C18 | C20 | C09 | H201 | 180.0° | 180.0° |
| C18 | C20 | C09 | C10 | 1.3° | 0.1° |
| C18 | C20 | C09 | C08 | 179.7° | 180.0° |
| C11 | C10 | C09 | C20 | 0.9° | 0.1° |
| C11 | C10 | C09 | H101 | 180.0° | 179.9° |
| C11 | C10 | C09 | C08 | 179.4° | 180.0° |
| C20 | C09 | C10 | C08 | 178.5° | 179.9° |
| C20 | C09 | C08 | C21 | 140.5° | 115.0° |
| C20 | C09 | C08 | C07 | 42.3° | 65.4° |
| C20 | C09 | C10 | H101 | 179.1° | 180.0° |
| C10 | C09 | C08 | C21 | 41.1° | 64.9° |
| C10 | C09 | C08 | C07 | 136.1° | 114.7° |
| C09 | C10 | C11 | H111 | 179.2° | 179.9° |
| C10 | C09 | C20 | H201 | 178.7° | 180.0° |
| C09 | C08 | C21 | C22 | 6.7° | 0.3° |
| C09 | C08 | C21 | C07 | 177.8° | 179.7° |
| C09 | C08 | C21 | N25 | 178.6° | 180.0° |
| C09 | C08 | C07 | C06 | 2.4° | 0.3° |
| C09 | C08 | C07 | C26 | 179.4° | 179.7° |
| C08 | C09 | C10 | H101 | 0.6° | 0.1° |
| C08 | C09 | C20 | H201 | 0.2° | 0.0° |
| O23 | C22 | C21 | O24 | 168.1° | 180.0° |
| O23 | C22 | C21 | C08 | 38.8° | 0.0° |
| O23 | C22 | C21 | N25 | 135.6° | 179.7° |
| O23 | C22 | O24 | H2 | 0.0° | 0.0° |
| C22 | C21 | C08 | N25 | 174.8° | 179.8° |
| C22 | C21 | C08 | C07 | 175.5° | 180.0° |
| C22 | C21 | N25 | C26 | 174.9° | 179.8° |
| C22 | C21 | N25 | H251 | 5.1° | 0.2° |
| C21 | C22 | O24 | H2 | 167.1° | 180.0° |
| O24 | C22 | C21 | C08 | 153.0° | 180.0° |
| O24 | C22 | C21 | N25 | 32.6° | 0.3° |
| C21 | C08 | C07 | C06 | 179.9° | 180.0° |
| C21 | C08 | C07 | C26 | 1.7° | 0.0° |
| C08 | C21 | N25 | C26 | 0.5° | 0.4° |
| C08 | C21 | N25 | H251 | 179.5° | 180.0° |
| C07 | C08 | C21 | N25 | 0.8° | 0.3° |
| C08 | C07 | C06 | C26 | 178.1° | 180.0° |
| C08 | C07 | C06 | C05 | 179.4° | 179.9° |
| C08 | C07 | C26 | N25 | 2.1° | 0.2° |
| C08 | C07 | C26 | C03 | 179.2° | 180.0° |
| C08 | C07 | C06 | H061 | 0.7° | 0.0° |
| C21 | N25 | C26 | C07 | 1.6° | 0.4° |
| C21 | N25 | C26 | H251 | 180.0° | 179.6° |
| C21 | N25 | C26 | C03 | 178.6° | 179.9° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C06 | C07 | C26 | N25 | 179.4° | 179.8° |
| C06 | C07 | C26 | C03 | 2.3° | 0.0° |
| C07 | C06 | C05 | C04 | 1.3° | 0.1° |
| C07 | C06 | C05 | H051 | 178.7° | 180.0° |
| C26 | C07 | C06 | C05 | 1.3° | 0.1° |
| C07 | C26 | N25 | C03 | 177.0° | 179.7° |
| C07 | C26 | C03 | C04 | 3.0° | 0.0° |
| C07 | C26 | C03 | C02 | 178.9° | 180.0° |
| C26 | C07 | C06 | H061 | 178.7° | 180.0° |
| C07 | C26 | N25 | H251 | 178.4° | 180.0° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 2.1° | 0.1° |
| C06 | C05 | C04 | H041 | 177.9° | 179.9° |
| N25 | C26 | C03 | C04 | 179.6° | 179.7° |
| N25 | C26 | C03 | C02 | 2.4° | 0.3° |
| C26 | C03 | C04 | C05 | 2.8° | 0.0° |
| C26 | C03 | C04 | C02 | 178.0° | 180.0° |
| C26 | C03 | C02 | N27 | 95.6° | 76.0° |
| C26 | C03 | C02 | C01 | 143.2° | 164.1° |
| C26 | C03 | C02 | H021 | 22.4° | 44.1° |
| C26 | C03 | C04 | H041 | 177.2° | 179.9° |
| C03 | C26 | N25 | H251 | 1.4° | 0.3° |
| C05 | C04 | C03 | H041 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 179.2° | 180.0° |
| C04 | C05 | C06 | H061 | 178.8° | 180.0° |
| O37 | C36 | O35 | N27 | 177.5° | 179.9° |
| O37 | C36 | O35 | C29 | 177.1° | 180.0° |
| O37 | C36 | N27 | C02 | 2.9° | 0.1° |
| O37 | C36 | N27 | C28 | 174.7° | 179.9° |
| C04 | C03 | C02 | N27 | 82.3° | 104.0° |
| C04 | C03 | C02 | C01 | 38.8° | 15.9° |
| C04 | C03 | C02 | H021 | 159.7° | 135.9° |
| C03 | C04 | C05 | H051 | 177.9° | 180.0° |
| C03 | C02 | N27 | C36 | 84.8° | 58.1° |
| C03 | C02 | N27 | C01 | 122.8° | 120.0° |
| C03 | C02 | N27 | H021 | 117.1° | 120.1° |
| C03 | C02 | N27 | C28 | 85.2° | 121.7° |
| C03 | C02 | C01 | H021 | 120.6° | 120.0° |
| C03 | C02 | C01 | H011 | 180.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 60.0° |
| C03 | C02 | C01 | H013 | 60.0° | 180.0° |
| C02 | C03 | C04 | H041 | 0.8° | 0.0° |
| C36 | O35 | C29 | C34 | 141.5° | 129.2° |
| O35 | C36 | N27 | C02 | 174.6° | 180.0° |
| O35 | C36 | N27 | C28 | 2.8° | 0.2° |
| C36 | O35 | C29 | C28 | 10.9° | 0.0° |
| C36 | O35 | C29 | C30 | 117.6° | 129.2° |
| N27 | C36 | O35 | C29 | 5.4° | 0.1° |
| C36 | N27 | C02 | C28 | 170.0° | 179.8° |
| C36 | N27 | C02 | C01 | 152.5° | 61.9° |
| C36 | N27 | C28 | C29 | 9.3° | 0.1° |
| C36 | N27 | C28 | H282 | 110.1° | 118.5° |
| C36 | N27 | C28 | H281 | 128.7° | 118.7° |
| C36 | N27 | C02 | H021 | 32.4° | 178.2° |
| O35 | C29 | C34 | C28 | 125.3° | 123.9° |
| O35 | C29 | C34 | C30 | 116.7° | 118.5° |
| O35 | C29 | C34 | C31 | 134.6° | 143.3° |
| O35 | C29 | C28 | N27 | 12.2° | 0.1° |
| O35 | C29 | C28 | C30 | 127.9° | 129.5° |
| O35 | C29 | C30 | C31 | 135.8° | 143.3° |
| O35 | C29 | C28 | H282 | 107.2° | 118.5° |
| O35 | C29 | C28 | H281 | 131.6° | 118.6° |
| O35 | C29 | C30 | H301 | 107.8° | 102.2° |
| O35 | C29 | C30 | H302 | 19.4° | 28.8° |
| O35 | C29 | C34 | H342 | 18.3° | 28.9° |
| O35 | C29 | C34 | H341 | 109.1° | 102.2° |
| C29 | C34 | C31 | H342 | 116.3° | 114.4° |
| C29 | C34 | C31 | H341 | 116.3° | 114.4° |
| C34 | C29 | C28 | N27 | 142.7° | 129.5° |
| C34 | C29 | C28 | C30 | 101.6° | 100.9° |
| C29 | C34 | C31 | C32 | 134.1° | 139.3° |
| C29 | C34 | C31 | C30 | 17.6° | 24.7° |
| C34 | C29 | C28 | H282 | 23.3° | 112.0° |
| C34 | C29 | C28 | H281 | 97.9° | 11.0° |
| C34 | C29 | C30 | H301 | 134.0° | 139.4° |
| C34 | C29 | C30 | H302 | 98.8° | 89.7° |
| C29 | C34 | C31 | H311 | 96.2° | 90.0° |
| C29 | C34 | H342 | H341 | 129.8° | 131.4° |
| C31 | C34 | C29 | C28 | 100.1° | 92.8° |
| C34 | C31 | C32 | C30 | 99.2° | 97.7° |
| C34 | C31 | C32 | H311 | 129.7° | 131.2° |
| C34 | C31 | C30 | H311 | 114.1° | 114.7° |
| C34 | C31 | C32 | N33 | 171.2° | 87.3° |
| C34 | C31 | C30 | H301 | 134.3° | 139.2° |
| C34 | C31 | C30 | H302 | 98.5° | 89.8° |
| C34 | C31 | C32 | H322 | 68.5° | 152.7° |
| C34 | C31 | C32 | H321 | 50.8° | 32.8° |
| C31 | C34 | H342 | H341 | 129.8° | 131.5° |
| N27 | C02 | C01 | H021 | 120.7° | 119.9° |
| C02 | N27 | C28 | C29 | 179.8° | 180.0° |
| C02 | N27 | C28 | H282 | 60.8° | 61.4° |
| C02 | N27 | C28 | H281 | 60.4° | 61.5° |
| N27 | C02 | C01 | H011 | 61.3° | 60.0° |
| N27 | C02 | C01 | H012 | 58.7° | 180.0° |
| N27 | C02 | C01 | H013 | 178.6° | 60.0° |
| C28 | N27 | C02 | C01 | 37.6° | 118.3° |
| N27 | C28 | C29 | H282 | 119.4° | 118.6° |
| N27 | C28 | C29 | H281 | 119.4° | 118.5° |
| N27 | C28 | C29 | C30 | 115.7° | 129.6° |
| N27 | C28 | H282 | H281 | 121.7° | 122.8° |
| C28 | N27 | C02 | H021 | 157.7° | 1.6° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C28 | C29 | C30 | C31 | 100.9° | 92.8° |
| C29 | C28 | H282 | H281 | 121.8° | 123.0° |
| C28 | C29 | C30 | H301 | 15.4° | 21.7° |
| C28 | C29 | C30 | H302 | 142.7° | 152.6° |
| C28 | C29 | C34 | H342 | 143.6° | 152.8° |
| C28 | C29 | C34 | H341 | 16.3° | 21.7° |
| C29 | C30 | C31 | C32 | 132.5° | 139.3° |
| C29 | C30 | C31 | H301 | 116.4° | 114.5° |
| C29 | C30 | C31 | H302 | 116.4° | 114.5° |
| C30 | C29 | C28 | H282 | 124.9° | 11.0° |
| C30 | C29 | C28 | H281 | 3.7° | 111.9° |
| C29 | C30 | H301 | H302 | 129.7° | 131.4° |
| C29 | C30 | C31 | H311 | 96.2° | 90.0° |
| C30 | C29 | C34 | H342 | 98.4° | 89.6° |
| C30 | C29 | C34 | H341 | 134.2° | 139.4° |
| C32 | C31 | C30 | H311 | 131.3° | 130.7° |
| C31 | C32 | N33 | H322 | 120.3° | 119.9° |
| C31 | C32 | N33 | H321 | 120.3° | 120.1° |
| C32 | C31 | C30 | H301 | 111.1° | 106.2° |
| C32 | C31 | C30 | H302 | 16.1° | 24.8° |
| C31 | C32 | H322 | H321 | 119.0° | 120.0° |
| C32 | C31 | C34 | H342 | 17.7° | 24.9° |
| C32 | C31 | C34 | H341 | 109.6° | 106.2° |
| C31 | C32 | N33 | H1 | 180.0° | 56.0° |
| C31 | C32 | N33 | H332 | 60.0° | 180.0° |
| C30 | C31 | C32 | N33 | 89.6° | 175.0° |
| C31 | C30 | H301 | H302 | 129.7° | 131.4° |
| C30 | C31 | C32 | H322 | 30.7° | 55.0° |
| C30 | C31 | C32 | H321 | 150.0° | 65.0° |
| C30 | C31 | C34 | H342 | 98.7° | 89.7° |
| C30 | C31 | C34 | H341 | 133.9° | 139.1° |
| N33 | C32 | C31 | H311 | 41.5° | 43.8° |
| N33 | C32 | H322 | H321 | 119.0° | 120.0° |
| C32 | N33 | H1 | H332 | 120.0° | 124.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 59.4° | 180.0° |
| H012 | C01 | C02 | H021 | 179.4° | 60.0° |
| H013 | C01 | C02 | H021 | 60.6° | 59.9° |
| H041 | C04 | C05 | H051 | 2.1° | 0.0° |
| H051 | C05 | C06 | H061 | 1.3° | 0.0° |
| H101 | C10 | C11 | H111 | 0.8° | 0.0° |
| H151 | C15 | H153 | H152 | 120.0° | 120.0° |
| H301 | C30 | C31 | H311 | 20.2° | 24.5° |
| H302 | C30 | C31 | H311 | 147.4° | 155.5° |
| H311 | C31 | C32 | H322 | 161.8° | 76.1° |
| H311 | C31 | C32 | H321 | 78.9° | 163.9° |
| H311 | C31 | C34 | H342 | 147.5° | 155.6° |
| H311 | C31 | C34 | H341 | 20.2° | 24.5° |
| H322 | C32 | N33 | H1 | 59.6° | 64.0° |
| H322 | C32 | N33 | H332 | 179.7° | 60.1° |
| H321 | C32 | N33 | H1 | 59.7° | 176.0° |
| H321 | C32 | N33 | H332 | 60.3° | 59.9° |
