XI5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.51Å | 1.52Å | |
| C04 | C03 | doub | 1.40Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.37Å | 1.38Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | N07 | sing | 1.35Å | 1.46Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C12 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C09 | sing | 1.53Å | 1.51Å | |
| N13 | C09 | sing | 1.47Å | 1.48Å | |
| C14 | N13 | sing | 1.35Å | 1.45Å | |
| O17 | P16 | doub | 1.48Å | 1.52Å | |
| O18 | P16 | sing | 1.61Å | 1.52Å | |
| O19 | P16 | sing | 1.61Å | 1.53Å | |
| P16 | C15 | sing | 1.82Å | 1.88Å | |
| C20 | C15 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C23 | C21 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| O24 | C14 | doub | 1.21Å | 1.14Å | |
| C09 | C08 | sing | 1.51Å | 1.56Å | |
| O25 | C08 | doub | 1.21Å | 1.18Å | |
| N07 | C06 | sing | 1.39Å | 1.45Å | |
| C26 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.37Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.47Å | 1.53Å | |
| O28 | C02 | doub | 1.21Å | 1.19Å | |
| C03 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| O18 | H1 | sing | 0.97Å | 0.95Å | |
| O19 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 120.1° | 120.0° |
| C01 | C02 | O28 | 120.0° | 120.0° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C03 | C04 | C05 | 119.8° | 119.9° |
| C04 | C03 | C02 | 119.7° | 120.1° |
| C04 | C03 | C27 | 120.0° | 119.8° |
| C03 | C04 | H041 | 120.1° | 120.1° |
| C04 | C05 | C06 | 120.4° | 120.1° |
| C05 | C04 | H041 | 120.1° | 120.1° |
| C04 | C05 | H051 | 119.8° | 119.9° |
| C05 | C06 | N07 | 117.5° | 119.9° |
| C05 | C06 | C26 | 120.0° | 120.3° |
| C06 | C05 | H051 | 119.8° | 120.0° |
| N07 | C08 | C09 | 117.9° | 120.0° |
| N07 | C08 | O25 | 120.3° | 120.0° |
| C08 | N07 | C06 | 124.3° | 120.0° |
| C08 | N07 | H071 | 117.8° | 120.0° |
| C11 | C10 | C12 | 110.4° | 109.5° |
| C11 | C10 | C09 | 114.7° | 109.5° |
| C11 | C10 | H101 | 108.1° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.4° |
| C10 | C11 | H113 | 109.5° | 109.4° |
| C12 | C10 | C09 | 107.3° | 109.5° |
| C12 | C10 | H101 | 107.8° | 109.5° |
| C10 | C12 | H123 | 109.5° | 109.5° |
| C10 | C12 | H121 | 109.5° | 109.5° |
| C10 | C12 | H122 | 109.5° | 109.5° |
| C10 | C09 | N13 | 115.5° | 109.5° |
| C10 | C09 | C08 | 112.5° | 109.5° |
| C10 | C09 | H091 | 108.0° | 109.5° |
| C09 | C10 | H101 | 108.2° | 109.5° |
| C09 | N13 | C14 | 117.2° | 119.9° |
| N13 | C09 | C08 | 104.5° | 109.4° |
| N13 | C09 | H091 | 108.5° | 109.5° |
| C09 | N13 | H131 | 121.4° | 120.1° |
| N13 | C14 | C15 | 127.1° | 120.0° |
| N13 | C14 | O24 | 117.9° | 120.1° |
| C14 | N13 | H131 | 121.4° | 120.0° |
| O17 | P16 | O18 | 105.6° | 109.5° |
| O17 | P16 | O19 | 111.9° | 109.5° |
| O17 | P16 | C15 | 109.4° | 109.5° |
| O18 | P16 | O19 | 110.9° | 109.4° |
| O18 | P16 | C15 | 114.2° | 109.5° |
| P16 | O18 | H1 | 109.5° | 114.0° |
| O19 | P16 | C15 | 105.1° | 109.5° |
| P16 | O19 | H2 | 109.5° | 114.0° |
| P16 | C15 | C20 | 113.5° | 109.4° |
| P16 | C15 | C14 | 106.9° | 109.4° |
| P16 | C15 | H151 | 104.9° | 109.5° |
| C15 | C20 | C21 | 112.7° | 109.5° |
| C20 | C15 | C14 | 114.0° | 109.5° |
| C20 | C15 | H151 | 108.6° | 109.5° |
| C15 | C20 | H202 | 108.7° | 109.5° |
| C15 | C20 | H201 | 108.6° | 109.5° |
| C20 | C21 | C22 | 107.9° | 109.4° |
| C20 | C21 | C23 | 112.7° | 109.4° |
| C21 | C20 | H202 | 108.7° | 109.4° |
| C21 | C20 | H201 | 108.7° | 109.4° |
| C20 | C21 | H211 | 107.7° | 109.5° |
| C22 | C21 | C23 | 112.9° | 109.5° |
| C22 | C21 | H211 | 107.6° | 109.5° |
| C21 | C22 | H221 | 109.5° | 109.5° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| C21 | C22 | H223 | 109.4° | 109.4° |
| C23 | C21 | H211 | 107.7° | 109.5° |
| C21 | C23 | H232 | 109.5° | 109.4° |
| C21 | C23 | H233 | 109.5° | 109.4° |
| C21 | C23 | H231 | 109.5° | 109.5° |
| C15 | C14 | O24 | 115.0° | 120.0° |
| C14 | C15 | H151 | 108.4° | 109.5° |
| C09 | C08 | O25 | 121.8° | 120.0° |
| C08 | C09 | H091 | 107.5° | 109.5° |
| N07 | C06 | C26 | 122.5° | 119.9° |
| C06 | N07 | H071 | 117.8° | 120.0° |
| C06 | C26 | C27 | 119.6° | 120.1° |
| C06 | C26 | H261 | 120.2° | 120.0° |
| C26 | C27 | C03 | 120.3° | 119.9° |
| C27 | C26 | H261 | 120.2° | 119.9° |
| C26 | C27 | H271 | 119.9° | 120.0° |
| C03 | C02 | O28 | 119.9° | 120.0° |
| C02 | C03 | C27 | 120.4° | 120.1° |
| C03 | C27 | H271 | 119.9° | 120.1° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H112 | C11 | H111 | 109.4° | 109.5° |
| H112 | C11 | H113 | 109.4° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H123 | C12 | H121 | 109.4° | 109.5° |
| H123 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.4° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.4° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.5° |
| H233 | C23 | H231 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C04 | 102.6° | 4.5° |
| C01 | C02 | C03 | O28 | 179.9° | 180.0° |
| C01 | C02 | C03 | C27 | 77.8° | 175.7° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.0° | 0.1° |
| C04 | C03 | C27 | C26 | 0.3° | 0.5° |
| C04 | C03 | C02 | C27 | 179.6° | 179.7° |
| C04 | C03 | C02 | O28 | 77.4° | 175.5° |
| C03 | C04 | C05 | H051 | 180.0° | 180.0° |
| C04 | C03 | C27 | H271 | 179.7° | 179.7° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | N07 | 179.9° | 179.9° |
| C04 | C05 | C06 | C26 | 0.1° | 0.1° |
| C05 | C04 | C03 | C02 | 179.4° | 180.0° |
| C05 | C04 | C03 | C27 | 0.2° | 0.2° |
| C05 | C06 | N07 | C08 | 143.0° | 147.9° |
| C05 | C06 | N07 | C26 | 180.0° | 180.0° |
| C05 | C06 | C26 | C27 | 0.0° | 0.2° |
| C06 | C05 | C04 | H041 | 180.0° | 180.0° |
| C05 | C06 | C26 | H261 | 180.0° | 180.0° |
| C05 | C06 | N07 | H071 | 37.0° | 32.1° |
| N07 | C08 | C09 | C10 | 147.6° | 87.5° |
| N07 | C08 | C09 | N13 | 21.6° | 152.5° |
| N07 | C08 | C09 | O25 | 178.9° | 180.0° |
| C08 | N07 | C06 | H071 | 180.0° | 180.0° |
| C08 | N07 | C06 | C26 | 37.1° | 32.1° |
| N07 | C08 | C09 | H091 | 93.5° | 32.5° |
| C11 | C10 | C12 | C09 | 125.7° | 120.0° |
| C11 | C10 | C12 | H101 | 118.0° | 120.0° |
| C11 | C10 | C09 | H101 | 120.8° | 120.0° |
| C11 | C10 | C09 | N13 | 17.8° | 65.8° |
| C11 | C10 | C09 | C08 | 102.1° | 174.3° |
| C11 | C10 | C09 | H091 | 139.4° | 54.2° |
| C10 | C11 | H112 | H111 | 120.0° | 120.0° |
| C10 | C11 | H112 | H113 | 120.0° | 119.9° |
| C10 | C11 | H111 | H113 | 120.0° | 119.9° |
| C11 | C10 | C12 | H123 | 180.0° | 180.0° |
| C11 | C10 | C12 | H121 | 60.0° | 60.0° |
| C11 | C10 | C12 | H122 | 60.0° | 60.0° |
| C12 | C10 | C09 | H101 | 116.1° | 120.0° |
| C12 | C10 | C09 | N13 | 105.3° | 54.2° |
| C12 | C10 | C09 | C08 | 134.8° | 65.7° |
| C12 | C10 | C09 | H091 | 16.3° | 174.2° |
| C12 | C10 | C11 | H112 | 180.0° | 53.1° |
| C12 | C10 | C11 | H111 | 60.0° | 67.0° |
| C12 | C10 | C11 | H113 | 60.0° | 173.1° |
| C10 | C12 | H123 | H121 | 120.0° | 120.0° |
| C10 | C12 | H123 | H122 | 120.0° | 120.0° |
| C10 | C12 | H121 | H122 | 120.0° | 120.0° |
| C10 | C09 | N13 | C08 | 124.2° | 120.0° |
| C10 | C09 | N13 | H091 | 121.4° | 120.1° |
| C10 | C09 | N13 | C14 | 109.8° | 85.0° |
| C10 | C09 | C08 | H091 | 118.8° | 120.0° |
| C10 | C09 | C08 | O25 | 31.3° | 92.5° |
| C09 | C10 | C11 | H112 | 58.6° | 66.9° |
| C09 | C10 | C11 | H111 | 178.6° | 173.0° |
| C09 | C10 | C11 | H113 | 61.4° | 53.1° |
| C09 | C10 | C12 | H123 | 54.3° | 60.0° |
| C09 | C10 | C12 | H121 | 65.7° | 180.0° |
| C09 | C10 | C12 | H122 | 174.3° | 60.0° |
| C10 | C09 | N13 | H131 | 70.1° | 95.0° |
| C09 | N13 | C14 | H131 | 180.0° | 180.0° |
| C09 | N13 | C14 | C15 | 177.9° | 180.0° |
| C09 | N13 | C14 | O24 | 4.5° | 0.1° |
| N13 | C09 | C08 | H091 | 115.1° | 120.0° |
| N13 | C09 | C08 | O25 | 157.3° | 27.5° |
| N13 | C09 | C10 | H101 | 138.6° | 174.2° |
| N13 | C14 | C15 | P16 | 56.9° | 30.0° |
| N13 | C14 | C15 | C20 | 69.4° | 90.0° |
| N13 | C14 | C15 | O24 | 177.7° | 179.9° |
| C14 | N13 | C09 | C08 | 126.0° | 155.0° |
| C14 | N13 | C09 | H091 | 11.5° | 35.0° |
| N13 | C14 | C15 | H151 | 169.5° | 150.0° |
| O17 | P16 | O18 | O19 | 121.4° | 120.0° |
| O17 | P16 | O18 | C15 | 120.1° | 120.0° |
| O17 | P16 | O19 | C15 | 118.6° | 120.0° |
| O17 | P16 | C15 | C20 | 9.1° | 57.3° |
| O17 | P16 | C15 | C14 | 117.5° | 62.7° |
| O17 | P16 | C15 | H151 | 127.6° | 177.3° |
| O17 | P16 | O18 | H1 | 0.0° | 54.8° |
| O17 | P16 | O19 | H2 | 0.0° | 59.9° |
| O18 | P16 | O19 | C15 | 123.8° | 120.0° |
| O18 | P16 | C15 | C20 | 127.1° | 62.7° |
| O18 | P16 | C15 | C14 | 0.5° | 177.3° |
| O18 | P16 | C15 | H151 | 114.4° | 57.3° |
| O18 | P16 | O19 | H2 | 117.6° | 180.0° |
| O19 | P16 | C15 | C20 | 111.2° | 177.4° |
| O19 | P16 | C15 | C14 | 122.2° | 57.4° |
| O19 | P16 | C15 | H151 | 7.3° | 62.6° |
| O19 | P16 | O18 | H1 | 121.4° | 174.8° |
| P16 | C15 | C20 | C14 | 122.7° | 120.0° |
| P16 | C15 | C20 | H151 | 116.3° | 120.0° |
| P16 | C15 | C20 | C21 | 174.0° | 177.9° |
| P16 | C15 | C14 | H151 | 112.6° | 120.0° |
| P16 | C15 | C14 | O24 | 125.4° | 150.1° |
| P16 | C15 | C20 | H202 | 65.5° | 57.9° |
| P16 | C15 | C20 | H201 | 53.5° | 62.2° |
| C15 | P16 | O18 | H1 | 120.1° | 65.2° |
| C15 | P16 | O19 | H2 | 118.6° | 60.1° |
| C15 | C20 | C21 | H202 | 120.5° | 120.0° |
| C15 | C20 | C21 | H201 | 120.4° | 120.0° |
| C15 | C20 | C21 | C22 | 132.6° | 59.1° |
| C15 | C20 | C21 | C23 | 102.0° | 179.1° |
| C20 | C15 | C14 | H151 | 121.1° | 120.0° |
| C20 | C15 | C14 | O24 | 108.3° | 90.0° |
| C15 | C20 | H202 | H201 | 118.5° | 120.1° |
| C15 | C20 | C21 | H211 | 16.7° | 60.9° |
| C20 | C21 | C22 | C23 | 125.3° | 119.9° |
| C20 | C21 | C22 | H211 | 116.0° | 120.0° |
| C20 | C21 | C23 | H211 | 118.7° | 120.0° |
| C21 | C20 | C15 | C14 | 51.3° | 62.1° |
| C21 | C20 | C15 | H151 | 69.7° | 57.9° |
| C21 | C20 | H202 | H201 | 118.5° | 119.9° |
| C20 | C21 | C22 | H221 | 180.0° | 60.7° |
| C20 | C21 | C22 | H222 | 60.0° | 179.3° |
| C20 | C21 | C22 | H223 | 60.0° | 59.3° |
| C20 | C21 | C23 | H232 | 180.0° | 60.0° |
| C20 | C21 | C23 | H233 | 60.0° | 180.0° |
| C20 | C21 | C23 | H231 | 60.0° | 60.0° |
| C22 | C21 | C23 | H211 | 118.6° | 120.0° |
| C22 | C21 | C20 | H202 | 106.9° | 60.9° |
| C22 | C21 | C20 | H201 | 12.2° | 179.1° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H223 | 120.0° | 120.0° |
| C21 | C22 | H222 | H223 | 120.0° | 120.0° |
| C22 | C21 | C23 | H232 | 57.4° | 180.0° |
| C22 | C21 | C23 | H233 | 177.4° | 60.0° |
| C22 | C21 | C23 | H231 | 62.6° | 59.9° |
| C23 | C21 | C20 | H202 | 18.5° | 59.1° |
| C23 | C21 | C20 | H201 | 137.6° | 60.9° |
| C23 | C21 | C22 | H221 | 54.8° | 59.3° |
| C23 | C21 | C22 | H222 | 65.2° | 60.8° |
| C23 | C21 | C22 | H223 | 174.7° | 179.2° |
| C21 | C23 | H232 | H233 | 120.0° | 119.9° |
| C21 | C23 | H232 | H231 | 120.0° | 120.0° |
| C21 | C23 | H233 | H231 | 120.0° | 120.0° |
| C14 | C15 | C20 | H202 | 171.8° | 177.9° |
| C14 | C15 | C20 | H201 | 69.2° | 57.8° |
| C15 | C14 | N13 | H131 | 2.2° | 0.0° |
| O24 | C14 | C15 | H151 | 12.8° | 30.1° |
| O24 | C14 | N13 | H131 | 175.5° | 180.0° |
| C09 | C08 | N07 | C06 | 178.7° | 178.8° |
| C08 | C09 | C10 | H101 | 18.7° | 54.3° |
| C09 | C08 | N07 | H071 | 1.3° | 1.2° |
| C08 | C09 | N13 | H131 | 54.0° | 25.0° |
| O25 | C08 | N07 | C06 | 0.3° | 1.2° |
| O25 | C08 | C09 | H091 | 87.5° | 147.5° |
| O25 | C08 | N07 | H071 | 179.7° | 178.8° |
| N07 | C06 | C26 | C27 | 180.0° | 179.8° |
| N07 | C06 | C05 | H051 | 0.1° | 0.0° |
| N07 | C06 | C26 | H261 | 0.0° | 0.0° |
| C06 | C26 | C27 | H261 | 180.0° | 179.8° |
| C06 | C26 | C27 | C03 | 0.2° | 0.5° |
| C26 | C06 | C05 | H051 | 179.9° | 180.0° |
| C06 | C26 | C27 | H271 | 179.8° | 179.7° |
| C26 | C06 | N07 | H071 | 142.9° | 147.9° |
| C26 | C27 | C03 | C02 | 179.3° | 179.7° |
| C26 | C27 | C03 | H271 | 180.0° | 179.8° |
| C03 | C02 | C01 | H013 | 179.9° | 4.9° |
| C03 | C02 | C01 | H012 | 59.9° | 115.1° |
| C03 | C02 | C01 | H011 | 60.1° | 125.0° |
| C02 | C03 | C04 | H041 | 0.6° | 0.0° |
| C02 | C03 | C27 | H271 | 0.7° | 0.0° |
| O28 | C02 | C03 | C27 | 102.3° | 4.2° |
| O28 | C02 | C01 | H013 | 0.0° | 175.1° |
| O28 | C02 | C01 | H012 | 120.0° | 64.9° |
| O28 | C02 | C01 | H011 | 120.0° | 55.1° |
| C27 | C03 | C04 | H041 | 179.8° | 179.7° |
| C03 | C27 | C26 | H261 | 179.8° | 179.7° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H041 | C04 | C05 | H051 | 0.0° | 0.1° |
| H091 | C09 | C10 | H101 | 99.7° | 65.8° |
| H091 | C09 | N13 | H131 | 168.5° | 145.0° |
| H101 | C10 | C11 | H112 | 62.2° | 173.1° |
| H101 | C10 | C11 | H111 | 57.8° | 53.0° |
| H101 | C10 | C11 | H113 | 177.8° | 67.0° |
| H101 | C10 | C12 | H123 | 62.1° | 60.0° |
| H101 | C10 | C12 | H121 | 177.9° | 60.0° |
| H101 | C10 | C12 | H122 | 58.0° | 180.0° |
| H112 | C11 | H111 | H113 | 119.9° | 120.1° |
| H123 | C12 | H121 | H122 | 120.0° | 120.0° |
| H151 | C15 | C20 | H202 | 50.8° | 62.1° |
| H151 | C15 | C20 | H201 | 169.8° | 177.8° |
| H202 | C20 | C21 | H211 | 137.2° | 179.1° |
| H201 | C20 | C21 | H211 | 103.7° | 59.1° |
| H211 | C21 | C22 | H221 | 64.0° | 179.3° |
| H211 | C21 | C22 | H222 | 176.0° | 59.3° |
| H211 | C21 | C22 | H223 | 56.0° | 60.7° |
| H211 | C21 | C23 | H232 | 61.3° | 60.0° |
| H211 | C21 | C23 | H233 | 58.7° | 60.0° |
| H211 | C21 | C23 | H231 | 178.7° | 180.0° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
| H232 | C23 | H233 | H231 | 120.0° | 120.1° |
| H261 | C26 | C27 | H271 | 0.2° | 0.1° |
