QWQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.55Å | 1.32Å | |
| C18 | C19 | sing | 1.55Å | 1.55Å | |
| C17 | N16 | sing | 1.49Å | 1.51Å | |
| C19 | C20 | sing | 1.54Å | 1.32Å | |
| C20 | N16 | sing | 1.48Å | 1.50Å | |
| N16 | C15 | sing | 1.47Å | 1.11Å | |
| C15 | C14 | sing | 1.51Å | 1.57Å | |
| C14 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C11 | doub | 1.39Å | 1.43Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.45Å | |
| C10 | C09 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | C23 | sing | 1.40Å | 1.44Å | Aromatic |
| C09 | N08 | sing | 1.32Å | 1.32Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.59Å | |
| C23 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
| N08 | C07 | doub | 1.32Å | 1.35Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.44Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.42Å | |
| C05 | C25 | doub | 1.39Å | 1.37Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.44Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| C28 | O27 | sing | 1.43Å | 1.39Å | |
| C04 | C03 | doub | 1.38Å | 1.42Å | Aromatic |
| C26 | O27 | sing | 1.36Å | 1.39Å | |
| C26 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| C03 | C29 | sing | 1.39Å | 1.36Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.42Å | |
| C29 | O30 | sing | 1.36Å | 1.40Å | |
| C01 | O02 | sing | 1.43Å | 1.38Å | |
| O30 | C31 | sing | 1.43Å | 1.39Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 107.0° | 102.9° |
| C18 | C17 | N16 | 107.2° | 103.3° |
| C18 | C17 | H171 | 110.0° | 110.7° |
| C18 | C17 | H172 | 110.0° | 110.8° |
| C17 | C18 | H181 | 110.1° | 110.7° |
| C17 | C18 | H182 | 110.1° | 110.7° |
| C18 | C19 | C20 | 108.4° | 105.2° |
| C19 | C18 | H181 | 110.1° | 110.7° |
| C19 | C18 | H182 | 110.1° | 110.7° |
| C18 | C19 | H192 | 109.7° | 110.3° |
| C18 | C19 | H191 | 109.7° | 110.3° |
| C17 | N16 | C20 | 102.6° | 105.8° |
| C17 | N16 | C15 | 114.6° | 111.0° |
| N16 | C17 | H171 | 110.0° | 110.6° |
| N16 | C17 | H172 | 110.0° | 110.7° |
| C19 | C20 | N16 | 106.3° | 107.0° |
| C19 | C20 | H201 | 110.3° | 109.9° |
| C19 | C20 | H202 | 110.3° | 110.1° |
| C20 | C19 | H192 | 109.7° | 110.3° |
| C20 | C19 | H191 | 109.7° | 110.3° |
| C20 | N16 | C15 | 114.0° | 111.0° |
| N16 | C20 | H201 | 110.2° | 109.9° |
| N16 | C20 | H202 | 110.3° | 109.9° |
| N16 | C15 | C14 | 109.0° | 109.5° |
| N16 | C15 | H152 | 109.6° | 109.5° |
| N16 | C15 | H151 | 109.6° | 109.5° |
| C15 | C14 | C21 | 121.1° | 119.9° |
| C15 | C14 | C13 | 120.8° | 119.8° |
| C14 | C15 | H152 | 109.6° | 109.5° |
| C14 | C15 | H151 | 109.6° | 109.4° |
| C21 | C14 | C13 | 118.2° | 120.2° |
| C14 | C21 | C22 | 121.8° | 120.1° |
| C14 | C21 | H211 | 119.1° | 119.9° |
| C14 | C13 | C12 | 120.3° | 120.1° |
| C14 | C13 | H131 | 119.9° | 120.0° |
| C21 | C22 | C11 | 120.3° | 119.9° |
| C22 | C21 | H211 | 119.1° | 119.9° |
| C21 | C22 | H221 | 119.9° | 120.0° |
| C13 | C12 | C11 | 122.0° | 119.8° |
| C12 | C13 | H131 | 119.8° | 119.9° |
| C13 | C12 | H121 | 119.0° | 120.1° |
| C22 | C11 | C12 | 117.4° | 119.8° |
| C22 | C11 | C10 | 120.2° | 120.1° |
| C11 | C22 | H221 | 119.8° | 120.1° |
| C12 | C11 | C10 | 122.2° | 120.1° |
| C11 | C12 | H121 | 119.0° | 120.0° |
| C11 | C10 | C09 | 117.2° | 120.5° |
| C11 | C10 | C23 | 125.6° | 120.5° |
| C09 | C10 | C23 | 117.2° | 119.0° |
| C10 | C09 | N08 | 123.0° | 120.8° |
| C10 | C09 | H091 | 118.5° | 119.6° |
| C10 | C23 | C24 | 119.8° | 120.9° |
| C10 | C23 | C06 | 118.7° | 118.2° |
| C09 | N08 | C07 | 121.4° | 122.0° |
| N08 | C09 | H091 | 118.5° | 119.6° |
| C24 | C23 | C06 | 121.5° | 120.9° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| C23 | C24 | H243 | 109.5° | 109.5° |
| C23 | C24 | H241 | 109.4° | 109.4° |
| C23 | C06 | C07 | 119.3° | 119.0° |
| C23 | C06 | C05 | 122.4° | 120.5° |
| N08 | C07 | C06 | 120.3° | 120.8° |
| N08 | C07 | H071 | 119.8° | 119.5° |
| C07 | C06 | C05 | 118.3° | 120.5° |
| C06 | C07 | H071 | 119.9° | 119.6° |
| C06 | C05 | C25 | 119.5° | 120.0° |
| C06 | C05 | C04 | 121.1° | 120.1° |
| C25 | C05 | C04 | 119.4° | 120.0° |
| C05 | C25 | C26 | 120.1° | 119.9° |
| C05 | C25 | H251 | 120.0° | 120.0° |
| C05 | C04 | C03 | 120.0° | 120.0° |
| C05 | C04 | H041 | 120.0° | 120.0° |
| C25 | C26 | O27 | 122.3° | 120.0° |
| C25 | C26 | C29 | 120.3° | 120.0° |
| C26 | C25 | H251 | 120.0° | 120.0° |
| C28 | O27 | C26 | 115.6° | 117.0° |
| O27 | C28 | H283 | 109.5° | 109.5° |
| O27 | C28 | H282 | 109.4° | 109.5° |
| O27 | C28 | H281 | 109.5° | 109.5° |
| C04 | C03 | C29 | 119.5° | 120.1° |
| C04 | C03 | O02 | 123.1° | 120.0° |
| C03 | C04 | H041 | 120.0° | 120.1° |
| O27 | C26 | C29 | 117.5° | 120.0° |
| C26 | C29 | C03 | 120.8° | 120.0° |
| C26 | C29 | O30 | 119.7° | 120.0° |
| C29 | C03 | O02 | 117.4° | 120.0° |
| C03 | C29 | O30 | 119.5° | 120.0° |
| C03 | O02 | C01 | 115.1° | 117.0° |
| C29 | O30 | C31 | 114.4° | 117.0° |
| O02 | C01 | H013 | 109.5° | 109.4° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| O02 | C01 | H011 | 109.4° | 109.5° |
| O30 | C31 | H311 | 109.5° | 109.5° |
| O30 | C31 | H312 | 109.5° | 109.4° |
| O30 | C31 | H313 | 109.4° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.4° |
| H171 | C17 | H172 | 109.5° | 110.6° |
| H201 | C20 | H202 | 109.5° | 110.0° |
| H242 | C24 | H243 | 109.5° | 109.4° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H243 | C24 | H241 | 109.5° | 109.5° |
| H283 | C28 | H282 | 109.5° | 109.5° |
| H283 | C28 | H281 | 109.4° | 109.4° |
| H282 | C28 | H281 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 110.8° |
| H192 | C19 | H191 | 109.4° | 110.3° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.5° | 109.5° |
| H312 | C31 | H313 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H181 | 119.6° | 118.3° |
| C17 | C18 | C19 | H182 | 119.6° | 118.3° |
| C18 | C17 | N16 | H171 | 119.7° | 118.5° |
| C18 | C17 | N16 | H172 | 119.6° | 118.7° |
| C17 | C18 | C19 | C20 | 1.7° | 21.9° |
| C18 | C17 | N16 | C20 | 27.5° | 39.2° |
| C18 | C17 | N16 | C15 | 151.5° | 159.7° |
| C18 | C17 | H171 | H172 | 121.0° | 123.2° |
| C17 | C18 | H181 | H182 | 121.1° | 123.3° |
| C17 | C18 | C19 | H192 | 118.2° | 97.0° |
| C17 | C18 | C19 | H191 | 121.5° | 140.9° |
| C19 | C18 | C17 | N16 | 16.6° | 37.4° |
| C18 | C19 | C20 | H192 | 119.9° | 119.0° |
| C18 | C19 | C20 | H191 | 119.8° | 118.9° |
| C18 | C19 | C20 | N16 | 19.2° | 1.2° |
| C19 | C18 | C17 | H171 | 103.1° | 81.0° |
| C19 | C18 | C17 | H172 | 136.2° | 156.0° |
| C18 | C19 | C20 | H201 | 138.6° | 120.5° |
| C18 | C19 | C20 | H202 | 100.3° | 118.2° |
| C19 | C18 | H181 | H182 | 121.2° | 123.3° |
| C18 | C19 | H192 | H191 | 120.5° | 122.1° |
| C17 | N16 | C20 | C19 | 28.3° | 25.3° |
| C17 | N16 | C20 | C15 | 124.4° | 120.6° |
| C17 | N16 | C15 | C14 | 174.2° | 170.0° |
| C17 | N16 | C15 | H152 | 65.9° | 50.0° |
| C17 | N16 | C15 | H151 | 54.3° | 70.0° |
| N16 | C17 | H171 | H172 | 121.0° | 123.0° |
| C17 | N16 | C20 | H201 | 147.8° | 144.6° |
| C17 | N16 | C20 | H202 | 91.2° | 94.2° |
| N16 | C17 | C18 | H181 | 103.0° | 80.9° |
| N16 | C17 | C18 | H182 | 136.2° | 155.7° |
| C19 | C20 | N16 | H201 | 119.5° | 119.3° |
| C19 | C20 | N16 | H202 | 119.5° | 119.6° |
| C19 | C20 | N16 | C15 | 152.7° | 145.9° |
| C19 | C20 | H201 | H202 | 121.5° | 121.4° |
| C20 | C19 | C18 | H181 | 121.3° | 96.4° |
| C20 | C19 | C18 | H182 | 117.9° | 140.3° |
| C20 | C19 | H192 | H191 | 120.5° | 122.1° |
| C20 | N16 | C15 | C14 | 68.1° | 72.5° |
| C20 | N16 | C15 | H152 | 51.8° | 167.4° |
| C20 | N16 | C15 | H151 | 172.0° | 47.4° |
| C20 | N16 | C17 | H171 | 92.2° | 79.3° |
| C20 | N16 | C17 | H172 | 147.1° | 157.9° |
| N16 | C20 | H201 | H202 | 121.5° | 121.1° |
| N16 | C20 | C19 | H192 | 100.7° | 120.2° |
| N16 | C20 | C19 | H191 | 139.0° | 117.7° |
| N16 | C15 | C14 | H152 | 119.9° | 120.1° |
| N16 | C15 | C14 | H151 | 119.9° | 120.0° |
| N16 | C15 | C14 | C21 | 101.0° | 89.9° |
| N16 | C15 | C14 | C13 | 77.4° | 90.0° |
| N16 | C15 | H152 | H151 | 120.2° | 120.0° |
| C15 | N16 | C17 | H171 | 31.9° | 41.3° |
| C15 | N16 | C17 | H172 | 88.8° | 81.6° |
| C15 | N16 | C20 | H201 | 87.8° | 94.8° |
| C15 | N16 | C20 | H202 | 33.2° | 26.3° |
| C15 | C14 | C21 | C13 | 178.4° | 180.0° |
| C15 | C14 | C21 | C22 | 179.1° | 180.0° |
| C15 | C14 | C13 | C12 | 179.0° | 180.0° |
| C15 | C14 | C13 | H131 | 1.0° | 0.3° |
| C14 | C15 | H152 | H151 | 120.2° | 119.9° |
| C15 | C14 | C21 | H211 | 0.9° | 0.2° |
| C14 | C21 | C22 | H211 | 180.0° | 179.8° |
| C21 | C14 | C13 | C12 | 0.6° | 0.0° |
| C14 | C21 | C22 | C11 | 0.7° | 0.2° |
| C21 | C14 | C13 | H131 | 179.4° | 179.7° |
| C21 | C14 | C15 | H152 | 18.9° | 150.0° |
| C21 | C14 | C15 | H151 | 139.1° | 30.1° |
| C14 | C21 | C22 | H221 | 179.3° | 179.8° |
| C13 | C14 | C21 | C22 | 0.7° | 0.0° |
| C14 | C13 | C12 | H131 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 1.0° | 0.3° |
| C13 | C14 | C15 | H152 | 162.7° | 30.0° |
| C13 | C14 | C15 | H151 | 42.5° | 149.9° |
| C13 | C14 | C21 | H211 | 179.3° | 179.8° |
| C14 | C13 | C12 | H121 | 179.0° | 179.7° |
| C21 | C22 | C11 | H221 | 180.0° | 180.0° |
| C21 | C22 | C11 | C12 | 2.2° | 0.5° |
| C21 | C22 | C11 | C10 | 177.8° | 180.0° |
| C13 | C12 | C11 | C22 | 2.3° | 0.6° |
| C13 | C12 | C11 | H121 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 177.8° | 180.0° |
| C22 | C11 | C12 | C10 | 175.5° | 179.4° |
| C22 | C11 | C10 | C09 | 44.3° | 50.0° |
| C22 | C11 | C10 | C23 | 135.9° | 130.3° |
| C11 | C22 | C21 | H211 | 179.3° | 179.9° |
| C22 | C11 | C12 | H121 | 177.7° | 179.5° |
| C12 | C11 | C10 | C09 | 131.0° | 129.5° |
| C12 | C11 | C10 | C23 | 48.7° | 50.3° |
| C11 | C12 | C13 | H131 | 179.0° | 180.0° |
| C12 | C11 | C22 | H221 | 177.8° | 179.5° |
| C11 | C10 | C09 | C23 | 179.8° | 179.7° |
| C11 | C10 | C09 | N08 | 180.0° | 179.8° |
| C11 | C10 | C23 | C24 | 0.2° | 0.2° |
| C11 | C10 | C23 | C06 | 179.8° | 179.8° |
| C10 | C11 | C22 | H221 | 2.3° | 0.1° |
| C11 | C10 | C09 | H091 | 0.0° | 0.3° |
| C10 | C11 | C12 | H121 | 2.2° | 0.0° |
| C10 | C09 | N08 | H091 | 180.0° | 180.0° |
| C09 | C10 | C23 | C24 | 180.0° | 179.9° |
| C09 | C10 | C23 | C06 | 0.0° | 0.0° |
| C10 | C09 | N08 | C07 | 0.8° | 0.0° |
| C23 | C10 | C09 | N08 | 0.2° | 0.0° |
| C10 | C23 | C24 | C06 | 180.0° | 180.0° |
| C10 | C23 | C06 | C07 | 0.5° | 0.0° |
| C10 | C23 | C06 | C05 | 178.8° | 180.0° |
| C10 | C23 | C24 | H242 | 90.0° | 88.7° |
| C10 | C23 | C24 | H243 | 150.0° | 151.3° |
| C10 | C23 | C24 | H241 | 30.0° | 31.3° |
| C23 | C10 | C09 | H091 | 179.8° | 180.0° |
| C09 | N08 | C07 | C06 | 1.3° | 0.1° |
| C09 | N08 | C07 | H071 | 178.7° | 180.0° |
| C24 | C23 | C06 | C07 | 179.5° | 179.9° |
| C24 | C23 | C06 | C05 | 1.2° | 0.0° |
| C23 | C24 | H242 | H243 | 120.0° | 120.0° |
| C23 | C24 | H242 | H241 | 120.0° | 120.0° |
| C23 | C24 | H243 | H241 | 120.0° | 120.0° |
| C23 | C06 | C07 | N08 | 1.1° | 0.1° |
| C23 | C06 | C07 | C05 | 178.4° | 179.9° |
| C23 | C06 | C05 | C25 | 61.8° | 124.1° |
| C23 | C06 | C05 | C04 | 120.0° | 56.0° |
| C06 | C23 | C24 | H242 | 90.0° | 91.2° |
| C06 | C23 | C24 | H243 | 30.0° | 28.7° |
| C06 | C23 | C24 | H241 | 150.0° | 148.7° |
| C23 | C06 | C07 | H071 | 178.9° | 180.0° |
| N08 | C07 | C06 | H071 | 180.0° | 179.9° |
| N08 | C07 | C06 | C05 | 179.5° | 180.0° |
| C07 | N08 | C09 | H091 | 179.1° | 180.0° |
| C07 | C06 | C05 | C25 | 116.5° | 56.0° |
| C07 | C06 | C05 | C04 | 61.6° | 123.9° |
| C06 | C05 | C25 | C04 | 178.2° | 180.0° |
| C06 | C05 | C25 | C26 | 179.6° | 179.9° |
| C06 | C05 | C04 | C03 | 179.0° | 179.7° |
| C06 | C05 | C04 | H041 | 1.0° | 0.1° |
| C05 | C06 | C07 | H071 | 0.5° | 0.1° |
| C06 | C05 | C25 | H251 | 0.4° | 0.0° |
| C05 | C25 | C26 | H251 | 180.0° | 179.9° |
| C25 | C05 | C04 | C03 | 0.9° | 0.3° |
| C05 | C25 | C26 | O27 | 178.9° | 180.0° |
| C05 | C25 | C26 | C29 | 1.0° | 0.2° |
| C25 | C05 | C04 | H041 | 179.1° | 180.0° |
| C04 | C05 | C25 | C26 | 1.5° | 0.0° |
| C05 | C04 | C03 | H041 | 180.0° | 179.7° |
| C05 | C04 | C03 | C29 | 0.3° | 0.3° |
| C05 | C04 | C03 | O02 | 179.2° | 179.7° |
| C04 | C05 | C25 | H251 | 178.6° | 180.0° |
| C25 | C26 | O27 | C28 | 23.7° | 0.2° |
| C25 | C26 | O27 | C29 | 179.9° | 179.8° |
| C25 | C26 | C29 | C03 | 0.2° | 0.2° |
| C25 | C26 | C29 | O30 | 179.3° | 179.7° |
| C28 | O27 | C26 | C29 | 156.2° | 180.0° |
| O27 | C28 | H283 | H282 | 120.0° | 120.0° |
| O27 | C28 | H283 | H281 | 120.0° | 120.0° |
| O27 | C28 | H282 | H281 | 120.0° | 120.0° |
| C04 | C03 | C29 | C26 | 0.8° | 0.0° |
| C04 | C03 | C29 | O02 | 178.9° | 180.0° |
| C04 | C03 | C29 | O30 | 178.7° | 180.0° |
| C04 | C03 | O02 | C01 | 7.2° | 0.0° |
| O27 | C26 | C29 | C03 | 179.9° | 180.0° |
| O27 | C26 | C29 | O30 | 0.6° | 0.1° |
| C26 | O27 | C28 | H283 | 180.0° | 60.0° |
| C26 | O27 | C28 | H282 | 60.0° | 60.0° |
| C26 | O27 | C28 | H281 | 60.0° | 180.0° |
| O27 | C26 | C25 | H251 | 1.1° | 0.1° |
| C26 | C29 | C03 | O30 | 179.5° | 179.9° |
| C26 | C29 | C03 | O02 | 179.7° | 180.0° |
| C26 | C29 | O30 | C31 | 87.7° | 90.0° |
| C29 | C26 | C25 | H251 | 179.1° | 179.7° |
| C29 | C03 | O02 | C01 | 171.7° | 180.0° |
| C03 | C29 | O30 | C31 | 92.8° | 90.0° |
| C29 | C03 | C04 | H041 | 179.7° | 180.0° |
| O02 | C03 | C29 | O30 | 0.2° | 0.0° |
| C03 | O02 | C01 | H013 | 180.0° | 180.0° |
| C03 | O02 | C01 | H012 | 60.0° | 60.0° |
| C03 | O02 | C01 | H011 | 60.0° | 60.0° |
| O02 | C03 | C04 | H041 | 0.9° | 0.0° |
| C29 | O30 | C31 | H311 | 180.0° | 60.0° |
| C29 | O30 | C31 | H312 | 60.0° | 60.0° |
| C29 | O30 | C31 | H313 | 60.0° | 180.0° |
| O02 | C01 | H013 | H012 | 120.0° | 120.0° |
| O02 | C01 | H013 | H011 | 120.0° | 120.0° |
| O02 | C01 | H012 | H011 | 120.0° | 120.0° |
| O30 | C31 | H311 | H312 | 120.0° | 119.9° |
| O30 | C31 | H311 | H313 | 120.0° | 120.1° |
| O30 | C31 | H312 | H313 | 120.0° | 120.0° |
| H131 | C13 | C12 | H121 | 1.0° | 0.1° |
| H171 | C17 | C18 | H181 | 137.3° | 160.7° |
| H171 | C17 | C18 | H182 | 16.5° | 37.4° |
| H172 | C17 | C18 | H181 | 16.6° | 37.6° |
| H172 | C17 | C18 | H182 | 104.2° | 85.7° |
| H201 | C20 | C19 | H192 | 18.8° | 120.5° |
| H201 | C20 | C19 | H191 | 101.5° | 1.6° |
| H202 | C20 | C19 | H192 | 139.8° | 0.8° |
| H202 | C20 | C19 | H191 | 19.5° | 122.9° |
| H211 | C21 | C22 | H221 | 0.7° | 0.0° |
| H242 | C24 | H243 | H241 | 120.0° | 120.0° |
| H283 | C28 | H282 | H281 | 120.0° | 119.9° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H181 | C18 | C19 | H192 | 1.4° | 144.7° |
| H181 | C18 | C19 | H191 | 118.9° | 22.6° |
| H182 | C18 | C19 | H192 | 122.2° | 21.4° |
| H182 | C18 | C19 | H191 | 1.9° | 100.8° |
| H311 | C31 | H312 | H313 | 120.0° | 120.0° |
