YFK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| O11 | C07 | doub | 1.21Å | 1.21Å | |
| C26 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| N31 | C24 | sing | 1.37Å | 1.38Å | Aromatic |
| N31 | C21 | sing | 1.38Å | 1.33Å | Aromatic |
| C24 | C23 | doub | 1.41Å | 1.38Å | Aromatic |
| C07 | N08 | sing | 1.34Å | 1.36Å | |
| C07 | C06 | sing | 1.51Å | 1.61Å | |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| O32 | C20 | doub | 1.22Å | 1.17Å | |
| N08 | C09 | sing | 1.47Å | 1.58Å | |
| C21 | C20 | sing | 1.47Å | 1.53Å | |
| C21 | C22 | doub | 1.36Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.41Å | 1.43Å | Aromatic |
| C23 | C22 | sing | 1.41Å | 1.42Å | Aromatic |
| C20 | N19 | sing | 1.35Å | 1.44Å | |
| C28 | O29 | sing | 1.36Å | 1.41Å | |
| C06 | C05 | sing | 1.53Å | 1.47Å | |
| C06 | C10 | sing | 1.55Å | 1.52Å | |
| C09 | C10 | sing | 1.54Å | 1.40Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| O29 | C30 | sing | 1.43Å | 1.42Å | |
| N19 | C14 | sing | 1.46Å | 1.44Å | |
| C14 | C02 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| N03 | C04 | sing | 1.46Å | 1.46Å | |
| N03 | C02 | sing | 1.35Å | 1.46Å | |
| C04 | C12 | sing | 1.51Å | 1.55Å | |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| C16 | C15 | sing | 1.53Å | 1.56Å | |
| C16 | C18 | sing | 1.53Å | 1.56Å | |
| C12 | C13 | doub | 1.31Å | 1.35Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | 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 | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C24 | 119.6° | 120.0° |
| C25 | C26 | C27 | 120.1° | 120.7° |
| C26 | C25 | H251 | 120.2° | 120.0° |
| C25 | C26 | H261 | 119.9° | 119.6° |
| C25 | C24 | N31 | 132.2° | 133.0° |
| C25 | C24 | C23 | 120.2° | 119.6° |
| C24 | C25 | H251 | 120.2° | 120.0° |
| O11 | C07 | N08 | 126.7° | 124.9° |
| O11 | C07 | C06 | 127.0° | 125.0° |
| C26 | C27 | C28 | 120.0° | 120.4° |
| C27 | C26 | H261 | 119.9° | 119.6° |
| C26 | C27 | H271 | 120.0° | 119.8° |
| C24 | N31 | C21 | 110.8° | 108.8° |
| N31 | C24 | C23 | 107.6° | 107.4° |
| C24 | N31 | H311 | 124.6° | 125.6° |
| N31 | C21 | C20 | 125.8° | 125.5° |
| N31 | C21 | C22 | 107.8° | 109.0° |
| C21 | N31 | H311 | 124.6° | 125.6° |
| C24 | C23 | C28 | 120.4° | 119.6° |
| C24 | C23 | C22 | 106.5° | 107.0° |
| N08 | C07 | C06 | 106.2° | 110.1° |
| C07 | N08 | C09 | 109.1° | 111.3° |
| C07 | N08 | H081 | 125.4° | 124.4° |
| C07 | C06 | C05 | 107.3° | 110.5° |
| C07 | C06 | C10 | 103.9° | 104.2° |
| C07 | C06 | H061 | 110.4° | 110.6° |
| C27 | C28 | C23 | 119.7° | 119.6° |
| C27 | C28 | O29 | 121.7° | 120.2° |
| C28 | C27 | H271 | 120.0° | 119.7° |
| O32 | C20 | C21 | 121.3° | 120.0° |
| O32 | C20 | N19 | 119.3° | 120.0° |
| N08 | C09 | C10 | 106.5° | 105.5° |
| N08 | C09 | H091 | 110.2° | 110.2° |
| N08 | C09 | H092 | 110.2° | 110.3° |
| C09 | N08 | H081 | 125.5° | 124.3° |
| C20 | C21 | C22 | 126.2° | 125.5° |
| C21 | C20 | N19 | 119.4° | 120.0° |
| C21 | C22 | C23 | 107.3° | 107.8° |
| C21 | C22 | H221 | 126.4° | 126.1° |
| C28 | C23 | C22 | 133.1° | 133.3° |
| C23 | C28 | O29 | 118.6° | 120.2° |
| C23 | C22 | H221 | 126.4° | 126.1° |
| C20 | N19 | C14 | 121.5° | 120.0° |
| C20 | N19 | H191 | 119.2° | 120.0° |
| C28 | O29 | C30 | 117.4° | 117.0° |
| C05 | C06 | C10 | 110.9° | 110.5° |
| C06 | C05 | C04 | 111.6° | 109.5° |
| C06 | C05 | H051 | 108.9° | 109.5° |
| C06 | C05 | H052 | 108.9° | 109.5° |
| C05 | C06 | H061 | 112.4° | 110.5° |
| C06 | C10 | C09 | 105.4° | 101.8° |
| C10 | C06 | H061 | 111.6° | 110.5° |
| C06 | C10 | H101 | 110.5° | 111.0° |
| C06 | C10 | H102 | 110.5° | 111.0° |
| C10 | C09 | H091 | 110.2° | 110.3° |
| C10 | C09 | H092 | 110.2° | 110.2° |
| C09 | C10 | H101 | 110.5° | 110.9° |
| C09 | C10 | H102 | 110.5° | 110.9° |
| C05 | C04 | N03 | 110.9° | 109.4° |
| C05 | C04 | C12 | 108.5° | 109.5° |
| C05 | C04 | H041 | 109.3° | 109.5° |
| C04 | C05 | H051 | 108.9° | 109.5° |
| C04 | C05 | H052 | 108.9° | 109.5° |
| C17 | C16 | C15 | 110.9° | 109.5° |
| C17 | C16 | C18 | 109.7° | 109.4° |
| C17 | C16 | H161 | 108.5° | 109.5° |
| C16 | C17 | H172 | 109.5° | 109.5° |
| C16 | C17 | H173 | 109.5° | 109.4° |
| C16 | C17 | H171 | 109.5° | 109.5° |
| O29 | C30 | H303 | 109.5° | 109.5° |
| O29 | C30 | H301 | 109.5° | 109.4° |
| O29 | C30 | H302 | 109.5° | 109.5° |
| N19 | C14 | C02 | 107.1° | 109.5° |
| N19 | C14 | C15 | 111.3° | 109.5° |
| N19 | C14 | H141 | 110.8° | 109.5° |
| C14 | N19 | H191 | 119.2° | 120.0° |
| C02 | C14 | C15 | 108.6° | 109.5° |
| C14 | C02 | N03 | 117.3° | 120.0° |
| C14 | C02 | O01 | 119.3° | 120.0° |
| C02 | C14 | H141 | 109.7° | 109.4° |
| C14 | C15 | C16 | 113.3° | 109.5° |
| C15 | C14 | H141 | 109.3° | 109.5° |
| C14 | C15 | H151 | 108.5° | 109.5° |
| C14 | C15 | H152 | 108.5° | 109.4° |
| C04 | N03 | C02 | 121.9° | 120.0° |
| N03 | C04 | C12 | 108.2° | 109.5° |
| N03 | C04 | H041 | 110.6° | 109.4° |
| C04 | N03 | H031 | 119.0° | 120.0° |
| N03 | C02 | O01 | 123.4° | 120.0° |
| C02 | N03 | H031 | 119.1° | 119.9° |
| C04 | C12 | C13 | 109.2° | 120.0° |
| C12 | C04 | H041 | 109.3° | 109.5° |
| C04 | C12 | H2 | 125.4° | 120.0° |
| C15 | C16 | C18 | 110.8° | 109.4° |
| C16 | C15 | H151 | 108.5° | 109.5° |
| C16 | C15 | H152 | 108.5° | 109.5° |
| C15 | C16 | H161 | 108.4° | 109.5° |
| C18 | C16 | H161 | 108.4° | 109.5° |
| C16 | C18 | H182 | 109.5° | 109.5° |
| C16 | C18 | H181 | 109.4° | 109.4° |
| C16 | C18 | H183 | 109.5° | 109.5° |
| C12 | C13 | H131 | 120.0° | 120.0° |
| C12 | C13 | H1 | 120.0° | 120.0° |
| C13 | C12 | H2 | 125.4° | 120.0° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 110.2° |
| H101 | C10 | H102 | 109.5° | 110.9° |
| H131 | C13 | H1 | 120.0° | 120.0° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H172 | C17 | H173 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H173 | C17 | H171 | 109.4° | 109.4° |
| H182 | C18 | H181 | 109.5° | 109.4° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H303 | C30 | H301 | 109.5° | 109.5° |
| H303 | C30 | H302 | 109.5° | 109.4° |
| H301 | C30 | H302 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C24 | H251 | 180.0° | 180.0° |
| C25 | C26 | C27 | H261 | 180.0° | 179.9° |
| C26 | C25 | C24 | N31 | 179.8° | 179.8° |
| C26 | C25 | C24 | C23 | 1.3° | 0.0° |
| C25 | C26 | C27 | C28 | 0.5° | 0.0° |
| C25 | C26 | C27 | H271 | 179.5° | 179.9° |
| C24 | C25 | C26 | C27 | 1.0° | 0.1° |
| C25 | C24 | N31 | C23 | 178.6° | 179.8° |
| C25 | C24 | N31 | C21 | 176.7° | 180.0° |
| C25 | C24 | C23 | C28 | 1.0° | 0.0° |
| C25 | C24 | C23 | C22 | 178.5° | 179.9° |
| C24 | C25 | C26 | H261 | 179.0° | 180.0° |
| C25 | C24 | N31 | H311 | 3.2° | 0.3° |
| O11 | C07 | N08 | C06 | 179.0° | 179.9° |
| O11 | C07 | N08 | C09 | 180.0° | 179.5° |
| O11 | C07 | C06 | C05 | 45.3° | 45.1° |
| O11 | C07 | C06 | C10 | 162.8° | 163.8° |
| O11 | C07 | C06 | H061 | 77.5° | 77.5° |
| O11 | C07 | N08 | H081 | 0.0° | 0.5° |
| C26 | C27 | C28 | H271 | 180.0° | 180.0° |
| C26 | C27 | C28 | C23 | 0.1° | 0.0° |
| C26 | C27 | C28 | O29 | 180.0° | 179.9° |
| C27 | C26 | C25 | H251 | 179.0° | 180.0° |
| C24 | N31 | C21 | H311 | 180.0° | 179.7° |
| C24 | N31 | C21 | C20 | 177.9° | 180.0° |
| C24 | N31 | C21 | C22 | 2.6° | 0.3° |
| N31 | C24 | C23 | C28 | 179.8° | 179.8° |
| N31 | C24 | C23 | C22 | 0.4° | 0.0° |
| N31 | C24 | C25 | H251 | 0.2° | 0.2° |
| C21 | N31 | C24 | C23 | 1.9° | 0.2° |
| N31 | C21 | C20 | O32 | 4.7° | 179.7° |
| N31 | C21 | C20 | C22 | 174.5° | 179.7° |
| N31 | C21 | C22 | C23 | 2.3° | 0.3° |
| N31 | C21 | C20 | N19 | 174.4° | 0.4° |
| N31 | C21 | C22 | H221 | 177.7° | 179.7° |
| C24 | C23 | C28 | C27 | 0.4° | 0.1° |
| C24 | C23 | C22 | C21 | 1.2° | 0.1° |
| C24 | C23 | C28 | C22 | 179.2° | 179.8° |
| C24 | C23 | C28 | O29 | 179.8° | 179.9° |
| C23 | C24 | C25 | H251 | 178.7° | 180.0° |
| C24 | C23 | C22 | H221 | 178.8° | 179.8° |
| C23 | C24 | N31 | H311 | 178.1° | 179.9° |
| C07 | N08 | C09 | H081 | 180.0° | 180.0° |
| N08 | C07 | C06 | C05 | 133.7° | 134.9° |
| N08 | C07 | C06 | C10 | 16.2° | 16.3° |
| C07 | N08 | C09 | C10 | 19.7° | 17.0° |
| N08 | C07 | C06 | H061 | 103.5° | 102.4° |
| C07 | N08 | C09 | H091 | 99.8° | 136.0° |
| C07 | N08 | C09 | H092 | 139.2° | 102.0° |
| C06 | C07 | N08 | C09 | 1.0° | 0.4° |
| C07 | C06 | C05 | C10 | 112.8° | 114.8° |
| C07 | C06 | C05 | H061 | 121.5° | 122.7° |
| C07 | C06 | C10 | H061 | 118.9° | 118.8° |
| C07 | C06 | C10 | C09 | 28.5° | 24.8° |
| C07 | C06 | C05 | C04 | 177.6° | 179.4° |
| C07 | C06 | C05 | H051 | 62.1° | 59.4° |
| C07 | C06 | C05 | H052 | 57.3° | 60.6° |
| C07 | C06 | C10 | H101 | 90.9° | 93.3° |
| C07 | C06 | C10 | H102 | 147.8° | 142.9° |
| C06 | C07 | N08 | H081 | 179.0° | 179.6° |
| C27 | C28 | C23 | O29 | 179.8° | 180.0° |
| C27 | C28 | C23 | C22 | 178.9° | 179.9° |
| C27 | C28 | O29 | C30 | 16.2° | 0.1° |
| C28 | C27 | C26 | H261 | 179.6° | 179.9° |
| O32 | C20 | C21 | N19 | 179.1° | 179.9° |
| O32 | C20 | C21 | C22 | 169.8° | 0.0° |
| O32 | C20 | N19 | C14 | 4.4° | 5.0° |
| O32 | C20 | N19 | H191 | 175.7° | 175.0° |
| N08 | C09 | C10 | C06 | 29.4° | 25.4° |
| N08 | C09 | C10 | H091 | 119.5° | 119.0° |
| N08 | C09 | C10 | H092 | 119.5° | 119.1° |
| N08 | C09 | H091 | H092 | 121.4° | 122.0° |
| N08 | C09 | C10 | H101 | 90.0° | 92.7° |
| N08 | C09 | C10 | H102 | 148.7° | 143.5° |
| C20 | C21 | C22 | C23 | 177.6° | 180.0° |
| C21 | C20 | N19 | C14 | 176.5° | 175.0° |
| C20 | C21 | C22 | H221 | 2.4° | 0.0° |
| C21 | C20 | N19 | H191 | 3.5° | 5.1° |
| C20 | C21 | N31 | H311 | 2.1° | 0.3° |
| C21 | C22 | C23 | C28 | 178.1° | 179.9° |
| C21 | C22 | C23 | H221 | 180.0° | 180.0° |
| C22 | C21 | C20 | N19 | 11.1° | 180.0° |
| C22 | C21 | N31 | H311 | 177.4° | 180.0° |
| C23 | C28 | O29 | C30 | 163.9° | 180.0° |
| C28 | C23 | C22 | H221 | 1.8° | 0.1° |
| C23 | C28 | C27 | H271 | 179.9° | 180.0° |
| C22 | C23 | C28 | O29 | 1.0° | 0.1° |
| C20 | N19 | C14 | H191 | 180.0° | 180.0° |
| C20 | N19 | C14 | C02 | 78.7° | 151.5° |
| C20 | N19 | C14 | C15 | 162.8° | 88.5° |
| C20 | N19 | C14 | H141 | 41.0° | 31.5° |
| O29 | C28 | C27 | H271 | 0.0° | 0.1° |
| C28 | O29 | C30 | H303 | 180.0° | 60.0° |
| C28 | O29 | C30 | H301 | 60.0° | 180.0° |
| C28 | O29 | C30 | H302 | 60.0° | 59.9° |
| C05 | C06 | C10 | H061 | 126.1° | 122.5° |
| C05 | C06 | C10 | C09 | 143.4° | 143.5° |
| C06 | C05 | C04 | H051 | 120.3° | 120.0° |
| C06 | C05 | C04 | H052 | 120.3° | 120.0° |
| C06 | C05 | C04 | N03 | 68.3° | 65.5° |
| C06 | C05 | C04 | C12 | 173.0° | 174.5° |
| C06 | C05 | C04 | H041 | 53.9° | 54.5° |
| C06 | C05 | H051 | H052 | 119.0° | 120.0° |
| C05 | C06 | C10 | H101 | 24.1° | 25.4° |
| C05 | C06 | C10 | H102 | 97.2° | 98.5° |
| C06 | C10 | C09 | H101 | 119.4° | 118.1° |
| C06 | C10 | C09 | H102 | 119.3° | 118.1° |
| C10 | C06 | C05 | C04 | 69.6° | 65.8° |
| C10 | C06 | C05 | H051 | 50.7° | 174.2° |
| C10 | C06 | C05 | H052 | 170.1° | 54.2° |
| C06 | C10 | C09 | H091 | 90.1° | 144.4° |
| C06 | C10 | C09 | H092 | 148.9° | 93.7° |
| C06 | C10 | H101 | H102 | 121.9° | 123.9° |
| C09 | C10 | C06 | H061 | 90.4° | 94.0° |
| C10 | C09 | H091 | H092 | 121.4° | 121.9° |
| C09 | C10 | H101 | H102 | 121.9° | 123.8° |
| C10 | C09 | N08 | H081 | 160.3° | 163.0° |
| C05 | C04 | N03 | C12 | 119.0° | 120.0° |
| C05 | C04 | N03 | H041 | 121.4° | 120.0° |
| C05 | C04 | N03 | C02 | 113.5° | 156.1° |
| C05 | C04 | C12 | H041 | 119.1° | 120.0° |
| C05 | C04 | C12 | C13 | 108.9° | 124.9° |
| C04 | C05 | H051 | H052 | 119.0° | 120.0° |
| C04 | C05 | C06 | H061 | 56.1° | 56.7° |
| C05 | C04 | C12 | H2 | 71.1° | 55.0° |
| C05 | C04 | N03 | H031 | 66.5° | 23.9° |
| C17 | C16 | C15 | C14 | 69.0° | 67.0° |
| C17 | C16 | C15 | C18 | 122.1° | 119.9° |
| C17 | C16 | C15 | H161 | 119.1° | 120.1° |
| C17 | C16 | C18 | H161 | 118.4° | 120.0° |
| C17 | C16 | C15 | H151 | 170.4° | 53.1° |
| C17 | C16 | C15 | H152 | 51.5° | 173.1° |
| C16 | C17 | H172 | H173 | 120.0° | 119.9° |
| C16 | C17 | H172 | H171 | 120.0° | 120.1° |
| C16 | C17 | H173 | H171 | 120.0° | 120.0° |
| C17 | C16 | C18 | H182 | 180.0° | 180.0° |
| C17 | C16 | C18 | H181 | 60.0° | 60.0° |
| C17 | C16 | C18 | H183 | 60.0° | 60.0° |
| O29 | C30 | H303 | H301 | 120.0° | 120.0° |
| O29 | C30 | H303 | H302 | 120.0° | 120.0° |
| O29 | C30 | H301 | H302 | 120.0° | 120.0° |
| N19 | C14 | C02 | C15 | 120.3° | 120.0° |
| N19 | C14 | C02 | H141 | 120.3° | 120.0° |
| N19 | C14 | C15 | H141 | 122.6° | 120.0° |
| N19 | C14 | C02 | N03 | 139.6° | 160.0° |
| N19 | C14 | C02 | O01 | 39.9° | 20.0° |
| N19 | C14 | C15 | C16 | 67.1° | 174.1° |
| N19 | C14 | C15 | H151 | 53.5° | 54.0° |
| N19 | C14 | C15 | H152 | 172.3° | 65.9° |
| C02 | C14 | C15 | H141 | 119.7° | 119.9° |
| C14 | C02 | N03 | C04 | 179.4° | 175.0° |
| C14 | C02 | N03 | O01 | 179.5° | 180.0° |
| C02 | C14 | C15 | C16 | 175.3° | 65.9° |
| C02 | C14 | C15 | H151 | 64.2° | 174.1° |
| C02 | C14 | C15 | H152 | 54.7° | 54.1° |
| C14 | C02 | N03 | H031 | 0.6° | 5.0° |
| C02 | C14 | N19 | H191 | 101.3° | 28.5° |
| C15 | C14 | C02 | N03 | 100.1° | 80.0° |
| C15 | C14 | C02 | O01 | 80.4° | 100.0° |
| C14 | C15 | C16 | H151 | 120.6° | 120.0° |
| C14 | C15 | C16 | H152 | 120.6° | 120.0° |
| C14 | C15 | C16 | C18 | 168.8° | 173.1° |
| C14 | C15 | H151 | H152 | 118.2° | 119.9° |
| C14 | C15 | C16 | H161 | 50.0° | 53.1° |
| C15 | C14 | N19 | H191 | 17.2° | 91.5° |
| C04 | N03 | C02 | H031 | 180.0° | 179.9° |
| N03 | C04 | C12 | H041 | 120.4° | 120.0° |
| C04 | N03 | C02 | O01 | 1.2° | 4.9° |
| N03 | C04 | C12 | C13 | 130.6° | 4.9° |
| N03 | C04 | C05 | H051 | 171.4° | 54.5° |
| N03 | C04 | C05 | H052 | 52.0° | 174.5° |
| N03 | C04 | C12 | H2 | 49.4° | 175.0° |
| C02 | N03 | C04 | C12 | 127.5° | 83.9° |
| C02 | N03 | C04 | H041 | 7.9° | 36.1° |
| N03 | C02 | C14 | H141 | 19.3° | 39.9° |
| C04 | C12 | C13 | H2 | 180.0° | 179.9° |
| C12 | C04 | C05 | H051 | 52.7° | 65.5° |
| C12 | C04 | C05 | H052 | 66.7° | 54.5° |
| C04 | C12 | C13 | H131 | 0.0° | 180.0° |
| C04 | C12 | C13 | H1 | 180.0° | 0.1° |
| C12 | C04 | N03 | H031 | 52.5° | 96.1° |
| O01 | C02 | C14 | H141 | 160.2° | 140.0° |
| O01 | C02 | N03 | H031 | 178.8° | 175.0° |
| C15 | C16 | C18 | H161 | 118.8° | 120.0° |
| C16 | C15 | C14 | H141 | 55.6° | 54.1° |
| C16 | C15 | H151 | H152 | 118.3° | 120.0° |
| C15 | C16 | C17 | H172 | 180.0° | 175.9° |
| C15 | C16 | C17 | H173 | 60.0° | 56.0° |
| C15 | C16 | C17 | H171 | 60.0° | 64.0° |
| C15 | C16 | C18 | H182 | 57.2° | 60.1° |
| C15 | C16 | C18 | H181 | 62.8° | 180.0° |
| C15 | C16 | C18 | H183 | 177.2° | 60.0° |
| C18 | C16 | C15 | H151 | 48.2° | 66.9° |
| C18 | C16 | C15 | H152 | 70.6° | 53.1° |
| C18 | C16 | C17 | H172 | 57.2° | 64.1° |
| C18 | C16 | C17 | H173 | 62.8° | 175.9° |
| C18 | C16 | C17 | H171 | 177.3° | 56.0° |
| C16 | C18 | H182 | H181 | 120.0° | 119.9° |
| C16 | C18 | H182 | H183 | 120.0° | 120.1° |
| C16 | C18 | H181 | H183 | 120.0° | 120.0° |
| C13 | C12 | C04 | H041 | 10.2° | 115.0° |
| C12 | C13 | H131 | H1 | 180.0° | 179.9° |
| H041 | C04 | C05 | H051 | 66.4° | 174.5° |
| H041 | C04 | C05 | H052 | 174.2° | 65.5° |
| H041 | C04 | C12 | H2 | 169.8° | 65.1° |
| H041 | C04 | N03 | H031 | 172.1° | 143.9° |
| H051 | C05 | C06 | H061 | 176.4° | 63.3° |
| H052 | C05 | C06 | H061 | 64.2° | 176.7° |
| H061 | C06 | C10 | H101 | 150.2° | 147.9° |
| H061 | C06 | C10 | H102 | 28.9° | 24.1° |
| H091 | C09 | C10 | H101 | 150.5° | 26.3° |
| H091 | C09 | C10 | H102 | 29.2° | 97.5° |
| H091 | C09 | N08 | H081 | 80.2° | 44.0° |
| H092 | C09 | C10 | H101 | 29.5° | 148.2° |
| H092 | C09 | C10 | H102 | 91.8° | 24.4° |
| H092 | C09 | N08 | H081 | 40.8° | 78.0° |
| H131 | C13 | C12 | H2 | 180.0° | 0.1° |
| H1 | C13 | C12 | H2 | 0.0° | 180.0° |
| H141 | C14 | C15 | H151 | 176.1° | 66.0° |
| H141 | C14 | C15 | H152 | 65.0° | 174.1° |
| H141 | C14 | N19 | H191 | 139.0° | 148.5° |
| H151 | C15 | C16 | H161 | 70.6° | 173.1° |
| H152 | C15 | C16 | H161 | 170.6° | 66.9° |
| H161 | C16 | C17 | H172 | 61.0° | 55.9° |
| H161 | C16 | C17 | H173 | 179.0° | 64.1° |
| H161 | C16 | C17 | H171 | 59.0° | 176.0° |
| H161 | C16 | C18 | H182 | 61.6° | 59.9° |
| H161 | C16 | C18 | H181 | 178.4° | 60.0° |
| H161 | C16 | C18 | H183 | 58.4° | 180.0° |
| H172 | C17 | H173 | H171 | 120.0° | 120.0° |
| H182 | C18 | H181 | H183 | 120.0° | 120.0° |
| H251 | C25 | C26 | H261 | 1.0° | 0.1° |
| H261 | C26 | C27 | H271 | 0.5° | 0.0° |
| H303 | C30 | H301 | H302 | 120.0° | 120.0° |
