XU4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C27 | doub | 1.38Å | 1.32Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.52Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.52Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.32Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.32Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.52Å | Aromatic |
| C24 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | O21 | sing | 1.45Å | 1.40Å | |
| O21 | C20 | sing | 1.35Å | 1.38Å | |
| N09 | C08 | sing | 1.47Å | 1.52Å | |
| N09 | C10 | sing | 1.34Å | 1.47Å | |
| O30 | C20 | doub | 1.21Å | 1.19Å | |
| C20 | N19 | sing | 1.35Å | 1.43Å | |
| C08 | C07 | sing | 1.54Å | 1.54Å | |
| O11 | C10 | doub | 1.21Å | 1.18Å | |
| C10 | C06 | sing | 1.51Å | 1.50Å | |
| N19 | C14 | sing | 1.47Å | 1.43Å | |
| C07 | C06 | sing | 1.55Å | 1.51Å | |
| C06 | C05 | sing | 1.53Å | 1.57Å | |
| C14 | C02 | sing | 1.51Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C02 | N03 | sing | 1.35Å | 1.44Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| N03 | C04 | sing | 1.46Å | 1.45Å | |
| C17 | C16 | sing | 1.53Å | 1.50Å | |
| C04 | C12 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C12 | O13 | sing | 1.43Å | 1.19Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | 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 | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| O13 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | C25 | 120.1° | 120.0° |
| C26 | C27 | C28 | 120.4° | 120.0° |
| C27 | C26 | H261 | 120.0° | 120.0° |
| C26 | C27 | H271 | 119.8° | 119.9° |
| C26 | C25 | C24 | 119.1° | 120.0° |
| C25 | C26 | H261 | 119.9° | 120.0° |
| C26 | C25 | H251 | 120.4° | 120.0° |
| C27 | C28 | C29 | 119.8° | 120.0° |
| C27 | C28 | H281 | 120.1° | 120.0° |
| C28 | C27 | H271 | 119.8° | 120.0° |
| C25 | C24 | C29 | 121.2° | 120.0° |
| C25 | C24 | C22 | 120.6° | 120.0° |
| C24 | C25 | H251 | 120.5° | 120.0° |
| C28 | C29 | C24 | 119.4° | 120.0° |
| C29 | C28 | H281 | 120.1° | 120.0° |
| C28 | C29 | H291 | 120.3° | 120.0° |
| C29 | C24 | C22 | 118.2° | 120.0° |
| C24 | C29 | H291 | 120.3° | 120.0° |
| C24 | C22 | C23 | 109.0° | 109.5° |
| C24 | C22 | O21 | 109.9° | 109.5° |
| C24 | C22 | H221 | 110.5° | 109.4° |
| C23 | C22 | O21 | 104.7° | 109.5° |
| C23 | C22 | H221 | 110.3° | 109.5° |
| C22 | C23 | H233 | 109.5° | 109.5° |
| C22 | C23 | H231 | 109.5° | 109.5° |
| C22 | C23 | H232 | 109.5° | 109.5° |
| C22 | O21 | C20 | 116.5° | 117.0° |
| O21 | C22 | H221 | 112.3° | 109.5° |
| O21 | C20 | O30 | 123.4° | 120.0° |
| O21 | C20 | N19 | 114.0° | 120.0° |
| C08 | N09 | C10 | 108.2° | 111.3° |
| N09 | C08 | C07 | 105.5° | 105.5° |
| N09 | C08 | H082 | 110.5° | 110.2° |
| N09 | C08 | H081 | 110.5° | 110.4° |
| C08 | N09 | H091 | 125.9° | 124.4° |
| N09 | C10 | O11 | 124.6° | 125.0° |
| N09 | C10 | C06 | 107.4° | 110.1° |
| C10 | N09 | H091 | 125.9° | 124.3° |
| O30 | C20 | N19 | 122.5° | 120.0° |
| C20 | N19 | C14 | 121.7° | 120.0° |
| C20 | N19 | H191 | 119.1° | 120.1° |
| C08 | C07 | C06 | 104.0° | 101.8° |
| C08 | C07 | H071 | 110.8° | 111.0° |
| C08 | C07 | H072 | 110.8° | 110.9° |
| C07 | C08 | H082 | 110.4° | 110.2° |
| C07 | C08 | H081 | 110.5° | 110.3° |
| O11 | C10 | C06 | 128.0° | 124.9° |
| C10 | C06 | C07 | 108.0° | 104.2° |
| C10 | C06 | C05 | 111.1° | 110.5° |
| C10 | C06 | H061 | 109.1° | 110.5° |
| N19 | C14 | C02 | 113.8° | 109.4° |
| N19 | C14 | C15 | 101.7° | 109.5° |
| N19 | C14 | H141 | 111.5° | 109.4° |
| C14 | N19 | H191 | 119.2° | 120.0° |
| C07 | C06 | C05 | 111.5° | 110.5° |
| C07 | C06 | H061 | 109.0° | 110.6° |
| C06 | C07 | H071 | 110.8° | 111.0° |
| C06 | C07 | H072 | 110.8° | 111.0° |
| C06 | C05 | C04 | 107.3° | 109.4° |
| C06 | C05 | H052 | 110.0° | 109.4° |
| C06 | C05 | H051 | 110.0° | 109.5° |
| C05 | C06 | H061 | 108.1° | 110.5° |
| C02 | C14 | C15 | 109.1° | 109.5° |
| C14 | C02 | O01 | 122.2° | 120.0° |
| C14 | C02 | N03 | 117.2° | 120.0° |
| C02 | C14 | H141 | 110.2° | 109.5° |
| C14 | C15 | C16 | 116.6° | 109.4° |
| C14 | C15 | H151 | 107.6° | 109.5° |
| C14 | C15 | H152 | 107.7° | 109.4° |
| C15 | C14 | H141 | 110.2° | 109.5° |
| O01 | C02 | N03 | 120.5° | 120.0° |
| C02 | N03 | C04 | 118.2° | 120.0° |
| C02 | N03 | H031 | 120.9° | 119.9° |
| C05 | C04 | N03 | 111.8° | 109.5° |
| C05 | C04 | C12 | 114.6° | 109.5° |
| C05 | C04 | H041 | 108.2° | 109.4° |
| C04 | C05 | H052 | 110.0° | 109.5° |
| C04 | C05 | H051 | 110.0° | 109.5° |
| C15 | C16 | C17 | 115.5° | 109.4° |
| C15 | C16 | C18 | 109.0° | 109.5° |
| C16 | C15 | H151 | 107.7° | 109.5° |
| C16 | C15 | H152 | 107.7° | 109.5° |
| C15 | C16 | H161 | 110.1° | 109.5° |
| N03 | C04 | C12 | 104.8° | 109.5° |
| N03 | C04 | H041 | 109.2° | 109.5° |
| C04 | N03 | H031 | 120.9° | 120.0° |
| C17 | C16 | C18 | 101.9° | 109.4° |
| C16 | C17 | H172 | 109.5° | 109.5° |
| C16 | C17 | H173 | 109.5° | 109.5° |
| C16 | C17 | H171 | 109.5° | 109.5° |
| C17 | C16 | H161 | 110.2° | 109.5° |
| C04 | C12 | O13 | 118.8° | 109.4° |
| C12 | C04 | H041 | 108.1° | 109.4° |
| C04 | C12 | H121 | 107.1° | 109.4° |
| C04 | C12 | H1 | 107.1° | 109.5° |
| C18 | C16 | H161 | 109.8° | 109.5° |
| C16 | C18 | H181 | 109.5° | 109.4° |
| C16 | C18 | H183 | 109.5° | 109.5° |
| C16 | C18 | H182 | 109.5° | 109.4° |
| O13 | C12 | H121 | 107.1° | 109.5° |
| O13 | C12 | H1 | 107.1° | 109.5° |
| C12 | O13 | H2 | 109.5° | 114.0° |
| H151 | C15 | H152 | 109.4° | 109.5° |
| H172 | C17 | H173 | 109.4° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H173 | C17 | H171 | 109.5° | 109.4° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 110.9° |
| H082 | C08 | H081 | 109.4° | 110.2° |
| H121 | C12 | H1 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H183 | C18 | H182 | 109.4° | 109.5° |
| H233 | C23 | H231 | 109.5° | 109.5° |
| H233 | C23 | H232 | 109.4° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | C25 | H261 | 180.0° | 179.6° |
| C26 | C27 | C28 | H271 | 180.0° | 179.7° |
| C27 | C26 | C25 | C24 | 0.6° | 0.0° |
| C26 | C27 | C28 | C29 | 1.3° | 0.5° |
| C26 | C27 | C28 | H281 | 178.7° | 180.0° |
| C27 | C26 | C25 | H251 | 179.4° | 180.0° |
| C25 | C26 | C27 | C28 | 1.2° | 0.3° |
| C26 | C25 | C24 | H251 | 180.0° | 179.9° |
| C26 | C25 | C24 | C29 | 0.1° | 0.0° |
| C26 | C25 | C24 | C22 | 179.6° | 179.7° |
| C25 | C26 | C27 | H271 | 178.8° | 180.0° |
| C27 | C28 | C29 | H281 | 180.0° | 179.5° |
| C27 | C28 | C29 | C24 | 0.7° | 0.6° |
| C28 | C27 | C26 | H261 | 178.8° | 179.9° |
| C27 | C28 | C29 | H291 | 179.2° | 179.5° |
| C25 | C24 | C29 | C28 | 0.2° | 0.3° |
| C25 | C24 | C29 | C22 | 179.5° | 179.7° |
| C25 | C24 | C22 | C23 | 87.6° | 85.3° |
| C25 | C24 | C22 | O21 | 158.3° | 34.7° |
| C25 | C24 | C22 | H221 | 33.8° | 154.7° |
| C24 | C25 | C26 | H261 | 179.3° | 179.7° |
| C25 | C24 | C29 | H291 | 179.8° | 179.7° |
| C28 | C29 | C24 | H291 | 180.0° | 180.0° |
| C28 | C29 | C24 | C22 | 179.7° | 180.0° |
| C29 | C28 | C27 | H271 | 178.7° | 179.7° |
| C29 | C24 | C22 | C23 | 91.9° | 95.0° |
| C29 | C24 | C22 | O21 | 22.2° | 144.9° |
| C29 | C24 | C22 | H221 | 146.7° | 25.0° |
| C24 | C29 | C28 | H281 | 179.3° | 179.9° |
| C29 | C24 | C25 | H251 | 179.9° | 180.0° |
| C24 | C22 | C23 | O21 | 117.5° | 120.0° |
| C24 | C22 | C23 | H221 | 121.5° | 119.9° |
| C24 | C22 | O21 | H221 | 123.4° | 119.9° |
| C24 | C22 | O21 | C20 | 149.1° | 150.0° |
| C24 | C22 | C23 | H233 | 180.0° | 60.0° |
| C24 | C22 | C23 | H231 | 60.0° | 60.0° |
| C24 | C22 | C23 | H232 | 60.0° | 180.0° |
| C22 | C24 | C25 | H251 | 0.4° | 0.3° |
| C22 | C24 | C29 | H291 | 0.3° | 0.0° |
| C23 | C22 | O21 | H221 | 119.7° | 120.0° |
| C23 | C22 | O21 | C20 | 94.0° | 90.0° |
| C22 | C23 | H233 | H231 | 120.0° | 120.0° |
| C22 | C23 | H233 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 120.0° | 120.0° |
| C22 | O21 | C20 | O30 | 5.2° | 0.0° |
| C22 | O21 | C20 | N19 | 177.9° | 180.0° |
| O21 | C22 | C23 | H233 | 62.5° | 60.0° |
| O21 | C22 | C23 | H231 | 57.5° | 180.0° |
| O21 | C22 | C23 | H232 | 177.5° | 60.0° |
| O21 | C20 | O30 | N19 | 176.7° | 180.0° |
| O21 | C20 | N19 | C14 | 161.7° | 174.7° |
| C20 | O21 | C22 | H221 | 25.7° | 30.0° |
| O21 | C20 | N19 | H191 | 18.3° | 5.4° |
| C08 | N09 | C10 | H091 | 180.0° | 180.0° |
| N09 | C08 | C07 | H082 | 119.4° | 119.0° |
| N09 | C08 | C07 | H081 | 119.4° | 119.2° |
| C08 | N09 | C10 | O11 | 179.9° | 179.3° |
| C08 | N09 | C10 | C06 | 0.7° | 0.4° |
| N09 | C08 | C07 | C06 | 24.9° | 25.5° |
| N09 | C08 | C07 | H071 | 144.0° | 92.7° |
| N09 | C08 | C07 | H072 | 94.2° | 143.6° |
| N09 | C08 | H082 | H081 | 121.8° | 122.0° |
| C10 | N09 | C08 | C07 | 15.3° | 17.1° |
| N09 | C10 | O11 | C06 | 179.3° | 179.7° |
| N09 | C10 | C06 | C07 | 17.0° | 16.3° |
| N09 | C10 | C06 | C05 | 139.5° | 134.9° |
| N09 | C10 | C06 | H061 | 101.4° | 102.6° |
| C10 | N09 | C08 | H082 | 104.1° | 136.0° |
| C10 | N09 | C08 | H081 | 134.7° | 102.0° |
| O30 | C20 | N19 | C14 | 21.3° | 5.3° |
| O30 | C20 | N19 | H191 | 158.7° | 174.6° |
| C20 | N19 | C14 | H191 | 180.0° | 179.9° |
| C20 | N19 | C14 | C02 | 50.7° | 152.4° |
| C20 | N19 | C14 | C15 | 167.8° | 87.6° |
| C20 | N19 | C14 | H141 | 74.8° | 32.5° |
| C08 | C07 | C06 | C10 | 26.0° | 24.8° |
| C08 | C07 | C06 | H071 | 119.1° | 118.1° |
| C08 | C07 | C06 | H072 | 119.1° | 118.1° |
| C08 | C07 | C06 | C05 | 148.3° | 143.5° |
| C08 | C07 | C06 | H061 | 92.4° | 93.9° |
| C08 | C07 | H071 | H072 | 122.6° | 123.7° |
| C07 | C08 | H082 | H081 | 121.8° | 121.9° |
| C07 | C08 | N09 | H091 | 164.7° | 163.0° |
| O11 | C10 | C06 | C07 | 163.6° | 164.0° |
| O11 | C10 | C06 | C05 | 41.1° | 45.4° |
| O11 | C10 | C06 | H061 | 78.0° | 77.2° |
| O11 | C10 | N09 | H091 | 0.1° | 0.7° |
| C10 | C06 | C07 | C05 | 122.3° | 118.7° |
| C10 | C06 | C07 | H061 | 118.4° | 118.7° |
| C10 | C06 | C05 | H061 | 119.7° | 122.5° |
| C10 | C06 | C05 | C04 | 176.9° | 175.0° |
| C10 | C06 | C05 | H052 | 63.4° | 55.1° |
| C10 | C06 | C05 | H051 | 57.2° | 65.0° |
| C10 | C06 | C07 | H071 | 145.1° | 93.3° |
| C10 | C06 | C07 | H072 | 93.2° | 142.9° |
| C06 | C10 | N09 | H091 | 179.3° | 179.6° |
| N19 | C14 | C02 | C15 | 112.7° | 120.0° |
| N19 | C14 | C02 | H141 | 126.2° | 119.9° |
| N19 | C14 | C15 | H141 | 118.4° | 119.9° |
| N19 | C14 | C02 | O01 | 46.4° | 17.1° |
| N19 | C14 | C02 | N03 | 132.6° | 162.8° |
| N19 | C14 | C15 | C16 | 117.0° | 177.6° |
| N19 | C14 | C15 | H151 | 4.1° | 57.6° |
| N19 | C14 | C15 | H152 | 122.0° | 62.4° |
| C07 | C06 | C05 | H061 | 119.8° | 122.7° |
| C07 | C06 | C05 | C04 | 62.6° | 70.2° |
| C07 | C06 | C05 | H052 | 57.1° | 169.8° |
| C07 | C06 | C05 | H051 | 177.7° | 49.8° |
| C06 | C07 | H071 | H072 | 122.5° | 123.8° |
| C06 | C07 | C08 | H082 | 94.5° | 144.4° |
| C06 | C07 | C08 | H081 | 144.3° | 93.7° |
| C06 | C05 | C04 | H052 | 119.7° | 119.9° |
| C06 | C05 | C04 | H051 | 119.7° | 120.0° |
| C06 | C05 | C04 | N03 | 71.7° | 65.0° |
| C06 | C05 | C04 | C12 | 169.2° | 174.9° |
| C06 | C05 | C04 | H041 | 48.6° | 55.0° |
| C06 | C05 | H052 | H051 | 121.0° | 120.0° |
| C05 | C06 | C07 | H071 | 92.6° | 25.3° |
| C05 | C06 | C07 | H072 | 29.2° | 98.4° |
| C02 | C14 | C15 | H141 | 121.1° | 120.1° |
| C14 | C02 | O01 | N03 | 179.0° | 180.0° |
| C02 | C14 | C15 | C16 | 122.5° | 62.4° |
| C14 | C02 | N03 | C04 | 178.6° | 175.1° |
| C02 | C14 | C15 | H151 | 116.4° | 177.5° |
| C02 | C14 | C15 | H152 | 1.5° | 57.6° |
| C14 | C02 | N03 | H031 | 1.5° | 5.0° |
| C02 | C14 | N19 | H191 | 129.3° | 27.7° |
| C15 | C14 | C02 | O01 | 66.4° | 102.9° |
| C15 | C14 | C02 | N03 | 114.6° | 77.2° |
| C14 | C15 | C16 | H151 | 121.0° | 120.0° |
| C14 | C15 | C16 | H152 | 121.1° | 119.9° |
| C14 | C15 | C16 | C17 | 39.5° | 66.5° |
| C14 | C15 | C16 | C18 | 153.4° | 173.6° |
| C14 | C15 | H151 | H152 | 116.8° | 120.0° |
| C14 | C15 | C16 | H161 | 86.0° | 53.5° |
| C15 | C14 | N19 | H191 | 12.2° | 92.4° |
| O01 | C02 | N03 | C04 | 2.4° | 4.9° |
| O01 | C02 | C14 | H141 | 172.5° | 137.0° |
| O01 | C02 | N03 | H031 | 177.6° | 175.0° |
| C02 | N03 | C04 | C05 | 119.6° | 156.9° |
| C02 | N03 | C04 | H031 | 180.0° | 179.9° |
| C02 | N03 | C04 | C12 | 115.7° | 83.1° |
| C02 | N03 | C04 | H041 | 0.1° | 36.9° |
| N03 | C02 | C14 | H141 | 6.5° | 42.9° |
| C05 | C04 | N03 | C12 | 124.7° | 120.0° |
| C05 | C04 | N03 | H041 | 119.7° | 120.0° |
| C05 | C04 | C12 | H041 | 120.7° | 119.9° |
| C05 | C04 | C12 | O13 | 60.4° | 55.1° |
| C04 | C05 | H052 | H051 | 121.0° | 120.1° |
| C04 | C05 | C06 | H061 | 57.2° | 52.5° |
| C05 | C04 | C12 | H121 | 61.0° | 175.0° |
| C05 | C04 | N03 | H031 | 60.4° | 23.2° |
| C05 | C04 | C12 | H1 | 178.3° | 65.0° |
| C15 | C16 | C17 | C18 | 117.9° | 120.0° |
| C15 | C16 | C17 | H161 | 125.5° | 120.0° |
| C15 | C16 | C18 | H161 | 120.7° | 120.1° |
| C16 | C15 | H151 | H152 | 116.8° | 120.0° |
| C15 | C16 | C17 | H172 | 180.0° | 57.7° |
| C15 | C16 | C17 | H173 | 60.0° | 62.3° |
| C15 | C16 | C17 | H171 | 60.0° | 177.7° |
| C16 | C15 | C14 | H141 | 1.4° | 57.7° |
| C15 | C16 | C18 | H181 | 180.0° | 60.0° |
| C15 | C16 | C18 | H183 | 60.0° | 179.9° |
| C15 | C16 | C18 | H182 | 60.0° | 59.9° |
| N03 | C04 | C12 | H041 | 116.4° | 120.0° |
| N03 | C04 | C12 | O13 | 176.7° | 65.0° |
| N03 | C04 | C05 | H052 | 168.6° | 55.0° |
| N03 | C04 | C05 | H051 | 47.9° | 175.0° |
| N03 | C04 | C12 | H121 | 62.0° | 54.9° |
| N03 | C04 | C12 | H1 | 55.4° | 175.0° |
| C17 | C16 | C18 | H161 | 116.7° | 120.0° |
| C17 | C16 | C15 | H151 | 81.5° | 53.5° |
| C17 | C16 | C15 | H152 | 160.6° | 173.6° |
| C16 | C17 | H172 | H173 | 120.0° | 120.0° |
| C16 | C17 | H172 | H171 | 120.0° | 120.1° |
| C16 | C17 | H173 | H171 | 120.0° | 120.0° |
| C17 | C16 | C18 | H181 | 57.5° | 180.0° |
| C17 | C16 | C18 | H183 | 62.6° | 60.0° |
| C17 | C16 | C18 | H182 | 177.5° | 60.0° |
| C04 | C12 | O13 | H121 | 121.3° | 119.9° |
| C04 | C12 | O13 | H1 | 121.3° | 120.0° |
| C12 | C04 | C05 | H052 | 49.5° | 65.1° |
| C12 | C04 | C05 | H051 | 71.1° | 55.0° |
| C04 | C12 | H121 | H1 | 115.7° | 120.0° |
| C12 | C04 | N03 | H031 | 64.4° | 96.9° |
| C04 | C12 | O13 | H2 | 180.0° | 180.0° |
| C18 | C16 | C15 | H151 | 32.4° | 66.4° |
| C18 | C16 | C15 | H152 | 85.5° | 53.6° |
| C18 | C16 | C17 | H172 | 62.0° | 177.6° |
| C18 | C16 | C17 | H173 | 178.0° | 57.6° |
| C18 | C16 | C17 | H171 | 58.0° | 62.3° |
| C16 | C18 | H181 | H183 | 120.0° | 120.0° |
| C16 | C18 | H181 | H182 | 120.0° | 119.9° |
| C16 | C18 | H183 | H182 | 120.0° | 120.0° |
| O13 | C12 | C04 | H041 | 60.3° | 175.0° |
| O13 | C12 | H121 | H1 | 115.8° | 120.1° |
| H151 | C15 | C14 | H141 | 122.4° | 62.4° |
| H151 | C15 | C16 | H161 | 152.9° | 173.5° |
| H152 | C15 | C14 | H141 | 119.7° | 177.6° |
| H152 | C15 | C16 | H161 | 35.0° | 66.4° |
| H172 | C17 | H173 | H171 | 120.0° | 120.0° |
| H172 | C17 | C16 | H161 | 54.5° | 62.3° |
| H173 | C17 | C16 | H161 | 65.5° | 177.7° |
| H171 | C17 | C16 | H161 | 174.5° | 57.7° |
| H221 | C22 | C23 | H233 | 58.5° | 179.9° |
| H221 | C22 | C23 | H231 | 178.5° | 59.9° |
| H221 | C22 | C23 | H232 | 61.5° | 60.0° |
| H261 | C26 | C25 | H251 | 0.6° | 0.4° |
| H261 | C26 | C27 | H271 | 1.2° | 0.4° |
| H281 | C28 | C27 | H271 | 1.3° | 0.2° |
| H281 | C28 | C29 | H291 | 0.8° | 0.0° |
| H041 | C04 | C05 | H052 | 71.1° | 175.0° |
| H041 | C04 | C05 | H051 | 168.2° | 65.0° |
| H041 | C04 | C12 | H121 | 178.3° | 65.1° |
| H041 | C04 | N03 | H031 | 179.9° | 143.1° |
| H041 | C04 | C12 | H1 | 61.0° | 54.9° |
| H052 | C05 | C06 | H061 | 176.8° | 67.5° |
| H051 | C05 | C06 | H061 | 62.5° | 172.5° |
| H061 | C06 | C07 | H071 | 26.7° | 148.0° |
| H061 | C06 | C07 | H072 | 148.4° | 24.2° |
| H071 | C07 | C08 | H082 | 24.6° | 26.2° |
| H071 | C07 | C08 | H081 | 96.6° | 148.1° |
| H072 | C07 | C08 | H082 | 146.4° | 97.5° |
| H072 | C07 | C08 | H081 | 25.2° | 24.4° |
| H082 | C08 | N09 | H091 | 75.9° | 44.0° |
| H081 | C08 | N09 | H091 | 45.3° | 77.9° |
| H121 | C12 | O13 | H2 | 58.7° | 60.1° |
| H141 | C14 | N19 | H191 | 105.2° | 147.6° |
| H161 | C16 | C18 | H181 | 59.3° | 60.0° |
| H161 | C16 | C18 | H183 | 179.3° | 60.0° |
| H161 | C16 | C18 | H182 | 60.7° | 180.0° |
| H181 | C18 | H183 | H182 | 120.0° | 120.0° |
| H233 | C23 | H231 | H232 | 119.9° | 120.0° |
| H1 | C12 | O13 | H2 | 58.7° | 60.0° |
