A1JVZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.41Å | |
| O02 | C03 | sing | 1.36Å | 1.39Å | |
| C03 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
| C03 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | O05 | sing | 1.36Å | 1.40Å | |
| C07 | C04 | sing | 1.37Å | 1.38Å | Aromatic |
| O05 | C06 | sing | 1.43Å | 1.42Å | |
| C10 | C07 | doub | 1.40Å | 1.45Å | Aromatic |
| C08 | C09 | doub | 1.40Å | 1.43Å | Aromatic |
| C09 | C10 | sing | 1.42Å | 1.38Å | Aromatic |
| C09 | N33 | sing | 1.34Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.47Å | Aromatic |
| C11 | N12 | sing | 1.38Å | 1.41Å | |
| N31 | C11 | doub | 1.33Å | 1.34Å | Aromatic |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| N12 | C30 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | N15 | sing | 1.47Å | 1.44Å | |
| N15 | C16 | sing | 1.38Å | 1.37Å | |
| N15 | C29 | sing | 1.47Å | 1.47Å | |
| N17 | C16 | doub | 1.32Å | 1.36Å | Aromatic |
| C16 | N28 | sing | 1.32Å | 1.38Å | Aromatic |
| C18 | N17 | sing | 1.32Å | 1.34Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C27 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.48Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | N28 | doub | 1.32Å | 1.35Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.57Å | |
| C32 | N31 | sing | 1.32Å | 1.39Å | Aromatic |
| N33 | C32 | doub | 1.31Å | 1.36Å | Aromatic |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H063 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 116.3° | 117.0° |
| O02 | C01 | H011 | 109.5° | 109.4° |
| O02 | C01 | H012 | 109.4° | 109.4° |
| O02 | C01 | H013 | 109.5° | 109.4° |
| O02 | C03 | C04 | 118.7° | 119.6° |
| O02 | C03 | C08 | 120.5° | 119.7° |
| C04 | C03 | C08 | 120.8° | 120.7° |
| C03 | C04 | O05 | 121.1° | 119.6° |
| C03 | C04 | C07 | 122.0° | 120.8° |
| C03 | C08 | C09 | 118.2° | 119.5° |
| C03 | C08 | H081 | 120.9° | 120.2° |
| O05 | C04 | C07 | 117.0° | 119.6° |
| C04 | O05 | C06 | 116.2° | 116.9° |
| C04 | C07 | C10 | 118.5° | 119.7° |
| C04 | C07 | H071 | 120.7° | 120.2° |
| O05 | C06 | H061 | 109.5° | 109.4° |
| O05 | C06 | H062 | 109.5° | 109.5° |
| O05 | C06 | H063 | 109.4° | 109.5° |
| C07 | C10 | C09 | 118.9° | 119.9° |
| C07 | C10 | C11 | 122.8° | 122.0° |
| C10 | C07 | H071 | 120.8° | 120.1° |
| C08 | C09 | C10 | 121.7° | 119.5° |
| C08 | C09 | N33 | 115.8° | 121.8° |
| C09 | C08 | H081 | 120.9° | 120.2° |
| C10 | C09 | N33 | 122.5° | 118.7° |
| C09 | C10 | C11 | 118.3° | 118.2° |
| C09 | N33 | C32 | 116.6° | 120.5° |
| C10 | C11 | N12 | 121.4° | 120.9° |
| C10 | C11 | N31 | 118.4° | 118.2° |
| N12 | C11 | N31 | 120.3° | 120.9° |
| C11 | N12 | C13 | 117.8° | 111.0° |
| C11 | N12 | C30 | 119.5° | 111.0° |
| C11 | N31 | C32 | 120.3° | 121.5° |
| C13 | N12 | C30 | 110.8° | 110.9° |
| N12 | C13 | C14 | 113.4° | 109.4° |
| N12 | C13 | H131 | 108.5° | 109.5° |
| N12 | C13 | H132 | 108.5° | 109.5° |
| N12 | C30 | C29 | 114.4° | 109.4° |
| N12 | C30 | H301 | 108.2° | 109.5° |
| N12 | C30 | H302 | 108.2° | 109.5° |
| C13 | C14 | N15 | 110.8° | 109.4° |
| C14 | C13 | H131 | 108.5° | 109.5° |
| C14 | C13 | H132 | 108.5° | 109.5° |
| C13 | C14 | H141 | 109.1° | 109.5° |
| C13 | C14 | H142 | 109.1° | 109.5° |
| C14 | N15 | C16 | 121.4° | 111.0° |
| C14 | N15 | C29 | 114.5° | 110.9° |
| N15 | C14 | H141 | 109.1° | 109.5° |
| N15 | C14 | H142 | 109.1° | 109.5° |
| C16 | N15 | C29 | 124.0° | 111.0° |
| N15 | C16 | N17 | 120.3° | 119.2° |
| N15 | C16 | N28 | 118.2° | 119.2° |
| N15 | C29 | C30 | 112.6° | 109.4° |
| N15 | C29 | H291 | 108.7° | 109.5° |
| N15 | C29 | H292 | 108.7° | 109.5° |
| N17 | C16 | N28 | 121.6° | 121.6° |
| C16 | N17 | C18 | 118.2° | 120.8° |
| C16 | N28 | C27 | 118.1° | 120.7° |
| N17 | C18 | C19 | 124.5° | 119.2° |
| N17 | C18 | H181 | 117.7° | 120.5° |
| C18 | C19 | C20 | 122.8° | 120.7° |
| C18 | C19 | C27 | 113.8° | 118.5° |
| C19 | C18 | H181 | 117.7° | 120.4° |
| C20 | C19 | C27 | 123.4° | 120.7° |
| C19 | C20 | C21 | 115.6° | 109.5° |
| C19 | C20 | H201 | 107.9° | 109.5° |
| C19 | C20 | H202 | 107.9° | 109.5° |
| C19 | C27 | N28 | 123.8° | 119.2° |
| C19 | C27 | H271 | 118.1° | 120.4° |
| C20 | C21 | C22 | 121.1° | 120.0° |
| C20 | C21 | C26 | 120.8° | 120.0° |
| C21 | C20 | H201 | 107.9° | 109.5° |
| C21 | C20 | H202 | 107.9° | 109.4° |
| C22 | C21 | C26 | 118.1° | 120.0° |
| C21 | C22 | C23 | 121.1° | 120.0° |
| C21 | C22 | H221 | 119.5° | 120.1° |
| C21 | C26 | C25 | 120.9° | 120.0° |
| C21 | C26 | H261 | 119.5° | 120.0° |
| C22 | C23 | C24 | 119.8° | 120.0° |
| C23 | C22 | H221 | 119.5° | 119.9° |
| C22 | C23 | H231 | 120.1° | 120.0° |
| C23 | C24 | C25 | 119.9° | 120.0° |
| C23 | C24 | H241 | 120.1° | 120.0° |
| C24 | C23 | H231 | 120.1° | 120.0° |
| C24 | C25 | C26 | 120.1° | 120.0° |
| C25 | C24 | H241 | 120.1° | 120.0° |
| C24 | C25 | H251 | 119.9° | 119.9° |
| C25 | C26 | H261 | 119.5° | 120.0° |
| C26 | C25 | H251 | 119.9° | 120.0° |
| N28 | C27 | H271 | 118.1° | 120.4° |
| C30 | C29 | H291 | 108.7° | 109.5° |
| C30 | C29 | H292 | 108.7° | 109.5° |
| C29 | C30 | H301 | 108.2° | 109.5° |
| C29 | C30 | H302 | 108.2° | 109.5° |
| N31 | C32 | N33 | 124.0° | 122.9° |
| N31 | C32 | H321 | 118.0° | 118.5° |
| N33 | C32 | H321 | 118.0° | 118.5° |
| H131 | C13 | H132 | 109.4° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.4° | 109.5° |
| H061 | C06 | H063 | 109.5° | 109.5° |
| H062 | C06 | H063 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C04 | 142.2° | 180.0° |
| C01 | O02 | C03 | C08 | 38.2° | 0.1° |
| O02 | C01 | H011 | H012 | 120.0° | 119.9° |
| O02 | C01 | H011 | H013 | 120.0° | 120.0° |
| O02 | C01 | H012 | H013 | 120.0° | 120.0° |
| O02 | C03 | C04 | C08 | 179.6° | 179.9° |
| O02 | C03 | C04 | O05 | 0.2° | 0.1° |
| O02 | C03 | C04 | C07 | 180.0° | 180.0° |
| O02 | C03 | C08 | C09 | 179.6° | 180.0° |
| C03 | O02 | C01 | H011 | 180.0° | 180.0° |
| C03 | O02 | C01 | H012 | 60.0° | 60.0° |
| C03 | O02 | C01 | H013 | 60.0° | 60.0° |
| O02 | C03 | C08 | H081 | 0.4° | 0.1° |
| C03 | C04 | O05 | C07 | 179.8° | 179.9° |
| C03 | C04 | O05 | C06 | 158.2° | 180.0° |
| C03 | C04 | C07 | C10 | 0.2° | 0.1° |
| C04 | C03 | C08 | C09 | 0.8° | 0.1° |
| C03 | C04 | C07 | H071 | 179.8° | 180.0° |
| C04 | C03 | C08 | H081 | 179.2° | 180.0° |
| C08 | C03 | C04 | O05 | 179.4° | 180.0° |
| C08 | C03 | C04 | C07 | 0.4° | 0.1° |
| C03 | C08 | C09 | H081 | 180.0° | 180.0° |
| C03 | C08 | C09 | C10 | 0.5° | 0.0° |
| C03 | C08 | C09 | N33 | 178.7° | 180.0° |
| O05 | C04 | C07 | C10 | 180.0° | 180.0° |
| C04 | O05 | C06 | H061 | 180.0° | 179.9° |
| C04 | O05 | C06 | H062 | 60.0° | 60.0° |
| C04 | O05 | C06 | H063 | 60.0° | 60.0° |
| O05 | C04 | C07 | H071 | 0.1° | 0.1° |
| C07 | C04 | O05 | C06 | 21.6° | 0.1° |
| C04 | C07 | C10 | H071 | 180.0° | 179.9° |
| C04 | C07 | C10 | C09 | 0.5° | 0.1° |
| C04 | C07 | C10 | C11 | 179.9° | 179.7° |
| O05 | C06 | H061 | H062 | 120.0° | 120.0° |
| O05 | C06 | H061 | H063 | 120.0° | 120.0° |
| O05 | C06 | H062 | H063 | 120.0° | 120.0° |
| C07 | C10 | C09 | C08 | 0.1° | 0.0° |
| C07 | C10 | C09 | C11 | 179.6° | 179.7° |
| C07 | C10 | C09 | N33 | 178.0° | 179.9° |
| C07 | C10 | C11 | N12 | 1.9° | 0.0° |
| C07 | C10 | C11 | N31 | 179.1° | 180.0° |
| C08 | C09 | C10 | N33 | 178.1° | 180.0° |
| C08 | C09 | C10 | C11 | 179.8° | 179.7° |
| C08 | C09 | N33 | C32 | 179.9° | 180.0° |
| C09 | C10 | C11 | N12 | 178.5° | 179.7° |
| C09 | C10 | C11 | N31 | 0.5° | 0.3° |
| C10 | C09 | N33 | C32 | 1.7° | 0.0° |
| C09 | C10 | C07 | H071 | 179.5° | 179.9° |
| C10 | C09 | C08 | H081 | 179.5° | 180.0° |
| N33 | C09 | C10 | C11 | 1.7° | 0.3° |
| C09 | N33 | C32 | N31 | 0.6° | 0.3° |
| N33 | C09 | C08 | H081 | 1.3° | 0.0° |
| C09 | N33 | C32 | H321 | 179.4° | 180.0° |
| C10 | C11 | N12 | N31 | 178.9° | 180.0° |
| C10 | C11 | N12 | C13 | 60.8° | 118.1° |
| C10 | C11 | N12 | C30 | 159.9° | 118.1° |
| C10 | C11 | N31 | C32 | 0.6° | 0.0° |
| C11 | C10 | C07 | H071 | 0.1° | 0.4° |
| C11 | N12 | C13 | C30 | 142.6° | 123.8° |
| C11 | N12 | C13 | C14 | 162.7° | 176.8° |
| C11 | N12 | C30 | C29 | 170.4° | 176.8° |
| N12 | C11 | N31 | C32 | 179.5° | 180.0° |
| C11 | N12 | C13 | H131 | 76.6° | 63.2° |
| C11 | N12 | C13 | H132 | 42.2° | 56.9° |
| C11 | N12 | C30 | H301 | 49.7° | 56.8° |
| C11 | N12 | C30 | H302 | 68.9° | 63.2° |
| N31 | C11 | N12 | C13 | 118.0° | 61.8° |
| N31 | C11 | N12 | C30 | 21.2° | 61.9° |
| C11 | N31 | C32 | N33 | 0.5° | 0.3° |
| C11 | N31 | C32 | H321 | 179.5° | 180.0° |
| N12 | C13 | C14 | H131 | 120.6° | 120.0° |
| N12 | C13 | C14 | H132 | 120.6° | 120.0° |
| N12 | C13 | C14 | N15 | 57.3° | 58.4° |
| C13 | N12 | C30 | C29 | 47.7° | 59.3° |
| N12 | C13 | H131 | H132 | 118.2° | 120.1° |
| N12 | C13 | C14 | H141 | 177.5° | 178.4° |
| N12 | C13 | C14 | H142 | 62.9° | 61.6° |
| C13 | N12 | C30 | H301 | 168.5° | 179.4° |
| C13 | N12 | C30 | H302 | 73.0° | 60.6° |
| C30 | N12 | C13 | C14 | 54.7° | 59.3° |
| N12 | C30 | C29 | N15 | 44.1° | 58.4° |
| N12 | C30 | C29 | H301 | 120.7° | 120.0° |
| N12 | C30 | C29 | H302 | 120.7° | 120.0° |
| C30 | N12 | C13 | H131 | 65.9° | 60.6° |
| C30 | N12 | C13 | H132 | 175.3° | 179.3° |
| N12 | C30 | C29 | H291 | 164.5° | 61.6° |
| N12 | C30 | C29 | H292 | 76.4° | 178.4° |
| N12 | C30 | H301 | H302 | 117.8° | 120.0° |
| C13 | C14 | N15 | H141 | 120.2° | 120.1° |
| C13 | C14 | N15 | H142 | 120.2° | 119.9° |
| C13 | C14 | N15 | C16 | 129.8° | 176.8° |
| C13 | C14 | N15 | C29 | 52.9° | 59.3° |
| C14 | C13 | H131 | H132 | 118.2° | 120.0° |
| C13 | C14 | H141 | H142 | 119.4° | 120.0° |
| C14 | N15 | C16 | C29 | 177.0° | 123.8° |
| C14 | N15 | C16 | N17 | 172.6° | 0.3° |
| C14 | N15 | C16 | N28 | 7.2° | 180.0° |
| C14 | N15 | C29 | C30 | 46.6° | 59.3° |
| N15 | C14 | C13 | H131 | 63.3° | 61.6° |
| N15 | C14 | C13 | H132 | 177.9° | 178.4° |
| N15 | C14 | H141 | H142 | 119.4° | 120.0° |
| C14 | N15 | C29 | H291 | 167.1° | 60.6° |
| C14 | N15 | C29 | H292 | 73.8° | 179.3° |
| N15 | C16 | N17 | N28 | 179.8° | 179.7° |
| N15 | C16 | N17 | C18 | 179.7° | 179.8° |
| N15 | C16 | N28 | C27 | 179.7° | 180.0° |
| C16 | N15 | C29 | C30 | 136.2° | 176.8° |
| C16 | N15 | C14 | H141 | 9.6° | 56.8° |
| C16 | N15 | C14 | H142 | 110.0° | 63.2° |
| C16 | N15 | C29 | H291 | 15.7° | 63.2° |
| C16 | N15 | C29 | H292 | 103.3° | 56.9° |
| C29 | N15 | C16 | N17 | 10.4° | 123.5° |
| C29 | N15 | C16 | N28 | 169.8° | 56.2° |
| N15 | C29 | C30 | H291 | 120.5° | 120.0° |
| N15 | C29 | C30 | H292 | 120.5° | 120.0° |
| C29 | N15 | C14 | H141 | 173.1° | 179.4° |
| C29 | N15 | C14 | H142 | 67.3° | 60.6° |
| N15 | C29 | H291 | H292 | 118.6° | 120.1° |
| N15 | C29 | C30 | H301 | 164.8° | 178.4° |
| N15 | C29 | C30 | H302 | 76.6° | 61.6° |
| C16 | N17 | C18 | C19 | 1.1° | 0.1° |
| N17 | C16 | N28 | C27 | 0.5° | 0.3° |
| C16 | N17 | C18 | H181 | 178.9° | 180.0° |
| N28 | C16 | N17 | C18 | 0.1° | 0.0° |
| C16 | N28 | C27 | C19 | 0.1° | 0.5° |
| C16 | N28 | C27 | H271 | 179.9° | 180.0° |
| N17 | C18 | C19 | H181 | 180.0° | 179.9° |
| N17 | C18 | C19 | C20 | 179.5° | 180.0° |
| N17 | C18 | C19 | C27 | 1.4° | 0.3° |
| C18 | C19 | C20 | C27 | 179.0° | 179.8° |
| C18 | C19 | C20 | C21 | 62.5° | 90.0° |
| C18 | C19 | C27 | N28 | 0.8° | 0.5° |
| C18 | C19 | C20 | H201 | 176.5° | 30.0° |
| C18 | C19 | C20 | H202 | 58.4° | 150.0° |
| C18 | C19 | C27 | H271 | 179.3° | 180.0° |
| C19 | C20 | C21 | H201 | 120.9° | 120.0° |
| C19 | C20 | C21 | H202 | 120.9° | 120.0° |
| C19 | C20 | C21 | C22 | 127.5° | 90.0° |
| C19 | C20 | C21 | C26 | 52.1° | 90.3° |
| C20 | C19 | C27 | N28 | 179.8° | 179.7° |
| C19 | C20 | H201 | H202 | 117.1° | 120.0° |
| C20 | C19 | C18 | H181 | 0.5° | 0.0° |
| C20 | C19 | C27 | H271 | 0.2° | 0.2° |
| C27 | C19 | C20 | C21 | 116.4° | 90.2° |
| C19 | C27 | N28 | H271 | 180.0° | 179.5° |
| C27 | C19 | C20 | H201 | 4.5° | 149.8° |
| C27 | C19 | C20 | H202 | 122.7° | 29.8° |
| C27 | C19 | C18 | H181 | 178.6° | 179.8° |
| C20 | C21 | C22 | C26 | 179.6° | 179.7° |
| C20 | C21 | C22 | C23 | 179.8° | 179.9° |
| C20 | C21 | C26 | C25 | 179.8° | 180.0° |
| C21 | C20 | H201 | H202 | 117.2° | 120.0° |
| C20 | C21 | C22 | H221 | 0.2° | 0.1° |
| C20 | C21 | C26 | H261 | 0.2° | 0.0° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.3° | 0.1° |
| C22 | C21 | C26 | C25 | 0.6° | 0.3° |
| C22 | C21 | C20 | H201 | 111.6° | 150.0° |
| C22 | C21 | C20 | H202 | 6.7° | 30.0° |
| C22 | C21 | C26 | H261 | 179.4° | 179.7° |
| C21 | C22 | C23 | H231 | 179.7° | 180.0° |
| C26 | C21 | C22 | C23 | 0.6° | 0.4° |
| C21 | C26 | C25 | C24 | 0.2° | 0.0° |
| C21 | C26 | C25 | H261 | 180.0° | 180.0° |
| C26 | C21 | C20 | H201 | 68.9° | 29.7° |
| C26 | C21 | C20 | H202 | 172.9° | 149.7° |
| C26 | C21 | C22 | H221 | 179.4° | 179.7° |
| C21 | C26 | C25 | H251 | 179.8° | 179.7° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.1° | 0.2° |
| C22 | C23 | C24 | H241 | 179.9° | 179.9° |
| C23 | C24 | C25 | H241 | 180.0° | 179.7° |
| C23 | C24 | C25 | C26 | 0.1° | 0.3° |
| C24 | C23 | C22 | H221 | 179.7° | 180.0° |
| C23 | C24 | C25 | H251 | 179.9° | 180.0° |
| C24 | C25 | C26 | H251 | 180.0° | 179.7° |
| C24 | C25 | C26 | H261 | 179.8° | 180.0° |
| C25 | C24 | C23 | H231 | 179.9° | 179.7° |
| C26 | C25 | C24 | H241 | 179.9° | 180.0° |
| C30 | C29 | H291 | H292 | 118.6° | 120.0° |
| C29 | C30 | H301 | H302 | 117.7° | 120.0° |
| N31 | C32 | N33 | H321 | 180.0° | 179.7° |
| H131 | C13 | C14 | H141 | 56.9° | 58.4° |
| H131 | C13 | C14 | H142 | 176.5° | 178.4° |
| H132 | C13 | C14 | H141 | 61.9° | 61.6° |
| H132 | C13 | C14 | H142 | 57.7° | 58.4° |
| H221 | C22 | C23 | H231 | 0.3° | 0.1° |
| H241 | C24 | C23 | H231 | 0.1° | 0.0° |
| H241 | C24 | C25 | H251 | 0.1° | 0.3° |
| H261 | C26 | C25 | H251 | 0.2° | 0.3° |
| H011 | C01 | H012 | H013 | 120.0° | 120.1° |
| H061 | C06 | H062 | H063 | 120.0° | 120.0° |
| H291 | C29 | C30 | H301 | 74.7° | 58.4° |
| H291 | C29 | C30 | H302 | 43.8° | 178.4° |
| H292 | C29 | C30 | H301 | 44.3° | 61.6° |
| H292 | C29 | C30 | H302 | 162.9° | 58.4° |






