T6Q
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | N02 | sing | 1.47Å | 1.44Å | |
N02 | C03 | sing | 1.38Å | 1.41Å | |
C03 | N04 | doub | 1.30Å | 1.33Å | Aromatic |
C03 | S33 | sing | 1.71Å | 1.71Å | Aromatic |
N04 | C05 | sing | 1.31Å | 1.36Å | Aromatic |
C05 | C06 | sing | 1.51Å | 1.52Å | |
C05 | C07 | doub | 1.35Å | 1.41Å | Aromatic |
C07 | C08 | sing | 1.47Å | 1.41Å | |
C07 | S33 | sing | 1.76Å | 1.68Å | Aromatic |
C08 | N09 | sing | 1.33Å | 1.39Å | Aromatic |
C08 | C30 | doub | 1.42Å | 1.41Å | Aromatic |
N09 | C10 | doub | 1.32Å | 1.39Å | Aromatic |
C10 | N11 | sing | 1.38Å | 1.46Å | |
C10 | N28 | sing | 1.33Å | 1.36Å | Aromatic |
N11 | C12 | sing | 1.40Å | 1.46Å | |
C12 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
C12 | C27 | doub | 1.39Å | 1.44Å | Aromatic |
C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.43Å | Aromatic |
C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
C16 | N17 | sing | 1.40Å | 1.48Å | |
C16 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
N17 | C18 | sing | 1.46Å | 1.43Å | |
N17 | C26 | sing | 1.41Å | 1.44Å | |
C18 | C19 | sing | 1.51Å | 1.49Å | |
C19 | C20 | sing | 1.54Å | 1.49Å | |
C20 | N21 | sing | 1.48Å | 1.44Å | |
N21 | C22 | sing | 1.35Å | 1.49Å | |
N21 | C25 | sing | 1.45Å | 1.46Å | |
C22 | C23 | sing | 1.51Å | 1.52Å | |
C22 | O24 | doub | 1.21Å | 1.23Å | |
C25 | C26 | sing | 1.55Å | 1.52Å | |
N28 | C29 | doub | 1.32Å | 1.39Å | Aromatic |
C29 | C30 | sing | 1.40Å | 1.41Å | Aromatic |
C30 | C31 | sing | 1.43Å | 1.47Å | |
C31 | N32 | trip | 1.14Å | 1.17Å | |
C01 | H011 | sing | 1.09Å | 1.10Å | |
C01 | H012 | sing | 1.09Å | 1.10Å | |
C01 | H013 | sing | 1.09Å | 1.10Å | |
N02 | H02 | sing | 0.97Å | 1.00Å | |
C06 | H061 | sing | 1.09Å | 1.10Å | |
C06 | H062 | sing | 1.09Å | 1.10Å | |
C06 | H063 | sing | 1.09Å | 1.10Å | |
N11 | H11 | sing | 0.97Å | 1.00Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C27 | H27 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C18 | H181 | sing | 1.09Å | 1.10Å | |
C18 | H182 | sing | 1.09Å | 1.10Å | |
C26 | H261 | sing | 1.09Å | 1.10Å | |
C26 | H262 | sing | 1.09Å | 1.10Å | |
C19 | H191 | sing | 1.09Å | 1.10Å | |
C19 | H192 | sing | 1.09Å | 1.10Å | |
C20 | H201 | sing | 1.09Å | 1.10Å | |
C20 | H202 | sing | 1.09Å | 1.10Å | |
C25 | H251 | sing | 1.09Å | 1.10Å | |
C25 | H252 | sing | 1.09Å | 1.10Å | |
C23 | H231 | sing | 1.09Å | 1.10Å | |
C23 | H232 | sing | 1.09Å | 1.10Å | |
C23 | H233 | sing | 1.09Å | 1.10Å | |
C29 | H29 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | N02 | C03 | 121.7° | 120.0° |
N02 | C01 | H011 | 109.5° | 109.5° |
N02 | C01 | H012 | 109.5° | 109.5° |
N02 | C01 | H013 | 109.5° | 109.4° |
C01 | N02 | H02 | 106.3° | 120.0° |
N02 | C03 | N04 | 128.9° | 124.8° |
N02 | C03 | S33 | 127.3° | 124.8° |
C03 | N02 | H02 | 106.3° | 120.0° |
N04 | C03 | S33 | 103.8° | 110.3° |
C03 | N04 | C05 | 117.5° | 117.1° |
C03 | S33 | C07 | 100.1° | 90.3° |
N04 | C05 | C06 | 118.0° | 122.9° |
N04 | C05 | C07 | 116.4° | 114.3° |
C06 | C05 | C07 | 125.5° | 122.8° |
C05 | C06 | H061 | 109.5° | 109.5° |
C05 | C06 | H062 | 109.5° | 109.4° |
C05 | C06 | H063 | 109.4° | 109.4° |
C05 | C07 | C08 | 135.2° | 126.0° |
C05 | C07 | S33 | 102.1° | 107.9° |
C08 | C07 | S33 | 122.5° | 126.0° |
C07 | C08 | N09 | 118.2° | 120.7° |
C07 | C08 | C30 | 122.7° | 120.7° |
N09 | C08 | C30 | 119.1° | 118.6° |
C08 | N09 | C10 | 120.9° | 120.7° |
C08 | C30 | C29 | 118.6° | 118.1° |
C08 | C30 | C31 | 121.0° | 121.0° |
N09 | C10 | N11 | 121.1° | 118.9° |
N09 | C10 | N28 | 121.4° | 122.1° |
N11 | C10 | N28 | 117.4° | 118.9° |
C10 | N11 | C12 | 124.3° | 120.0° |
C10 | N11 | H11 | 117.9° | 120.0° |
C10 | N28 | C29 | 118.8° | 121.2° |
N11 | C12 | C13 | 114.4° | 120.0° |
N11 | C12 | C27 | 124.4° | 120.0° |
C12 | N11 | H11 | 117.9° | 120.0° |
C13 | C12 | C27 | 121.2° | 119.9° |
C12 | C13 | C14 | 119.3° | 120.1° |
C12 | C13 | H13 | 120.3° | 119.9° |
C12 | C27 | C16 | 119.1° | 119.8° |
C12 | C27 | H27 | 120.4° | 120.1° |
C13 | C14 | C15 | 119.2° | 120.1° |
C14 | C13 | H13 | 120.3° | 120.0° |
C13 | C14 | H14 | 120.4° | 119.9° |
C14 | C15 | C16 | 122.2° | 120.1° |
C15 | C14 | H14 | 120.4° | 120.0° |
C14 | C15 | H15 | 118.9° | 119.9° |
C15 | C16 | N17 | 118.8° | 120.0° |
C15 | C16 | C27 | 118.9° | 119.9° |
C16 | C15 | H15 | 118.9° | 120.0° |
N17 | C16 | C27 | 122.3° | 120.1° |
C16 | N17 | C18 | 103.9° | 111.0° |
C16 | N17 | C26 | 134.3° | 111.0° |
C16 | C27 | H27 | 120.4° | 120.1° |
C18 | N17 | C26 | 113.0° | 116.3° |
N17 | C18 | C19 | 112.9° | 109.1° |
N17 | C18 | H181 | 108.6° | 109.5° |
N17 | C18 | H182 | 108.6° | 109.5° |
N17 | C26 | C25 | 115.4° | 110.0° |
N17 | C26 | H261 | 108.0° | 109.4° |
N17 | C26 | H262 | 108.0° | 109.4° |
C18 | C19 | C20 | 112.2° | 109.7° |
C19 | C18 | H181 | 108.6° | 109.5° |
C19 | C18 | H182 | 108.6° | 109.5° |
C18 | C19 | H191 | 108.8° | 109.5° |
C18 | C19 | H192 | 108.8° | 109.5° |
C19 | C20 | N21 | 116.4° | 111.3° |
C20 | C19 | H191 | 108.8° | 109.4° |
C20 | C19 | H192 | 108.8° | 109.4° |
C19 | C20 | H201 | 107.7° | 109.1° |
C19 | C20 | H202 | 107.7° | 109.2° |
C20 | N21 | C22 | 113.9° | 118.8° |
C20 | N21 | C25 | 128.5° | 122.5° |
N21 | C20 | H201 | 107.7° | 109.0° |
N21 | C20 | H202 | 107.7° | 109.1° |
C22 | N21 | C25 | 117.5° | 118.8° |
N21 | C22 | C23 | 124.1° | 120.0° |
N21 | C22 | O24 | 120.2° | 120.0° |
N21 | C25 | C26 | 119.9° | 109.7° |
N21 | C25 | H251 | 106.8° | 109.5° |
N21 | C25 | H252 | 106.8° | 109.5° |
C23 | C22 | O24 | 115.7° | 120.0° |
C22 | C23 | H231 | 109.5° | 109.4° |
C22 | C23 | H232 | 109.5° | 109.4° |
C22 | C23 | H233 | 109.5° | 109.5° |
C25 | C26 | H261 | 107.9° | 109.3° |
C25 | C26 | H262 | 108.0° | 109.4° |
C26 | C25 | H251 | 106.8° | 109.4° |
C26 | C25 | H252 | 106.8° | 109.4° |
N28 | C29 | C30 | 121.2° | 119.1° |
N28 | C29 | H29 | 119.4° | 120.4° |
C29 | C30 | C31 | 120.3° | 120.9° |
C30 | C29 | H29 | 119.4° | 120.4° |
C30 | C31 | N32 | 178.6° | 180.0° |
H011 | C01 | H012 | 109.4° | 109.5° |
H011 | C01 | H013 | 109.5° | 109.4° |
H012 | C01 | H013 | 109.5° | 109.5° |
H061 | C06 | H062 | 109.5° | 109.6° |
H061 | C06 | H063 | 109.5° | 109.5° |
H062 | C06 | H063 | 109.4° | 109.4° |
H181 | C18 | H182 | 109.5° | 109.7° |
H261 | C26 | H262 | 109.5° | 109.3° |
H191 | C19 | H192 | 109.5° | 109.4° |
H201 | C20 | H202 | 109.4° | 109.1° |
H251 | C25 | H252 | 109.5° | 109.4° |
H231 | C23 | H232 | 109.5° | 109.5° |
H231 | C23 | H233 | 109.4° | 109.5° |
H232 | C23 | H233 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C01 | N02 | C03 | H02 | 121.7° | 180.0° |
C01 | N02 | C03 | N04 | 78.0° | 0.1° |
C01 | N02 | C03 | S33 | 104.3° | 179.7° |
N02 | C01 | H011 | H012 | 120.0° | 120.0° |
N02 | C01 | H011 | H013 | 120.0° | 119.9° |
N02 | C01 | H012 | H013 | 120.0° | 119.9° |
N02 | C03 | N04 | S33 | 178.2° | 179.6° |
N02 | C03 | N04 | C05 | 178.7° | 180.0° |
N02 | C03 | S33 | C07 | 179.4° | 180.0° |
C03 | N02 | C01 | H011 | 180.0° | 179.9° |
C03 | N02 | C01 | H012 | 60.0° | 60.0° |
C03 | N02 | C01 | H013 | 60.0° | 60.0° |
C03 | N04 | C05 | C06 | 179.1° | 180.0° |
C03 | N04 | C05 | C07 | 2.0° | 0.1° |
N04 | C03 | S33 | C07 | 2.4° | 0.4° |
N04 | C03 | N02 | H02 | 160.3° | 179.9° |
S33 | C03 | N04 | C05 | 0.6° | 0.3° |
C03 | S33 | C07 | C05 | 3.3° | 0.3° |
C03 | S33 | C07 | C08 | 179.0° | 179.9° |
S33 | C03 | N02 | H02 | 17.4° | 0.3° |
N04 | C05 | C06 | C07 | 178.8° | 179.9° |
N04 | C05 | C07 | C08 | 178.3° | 180.0° |
N04 | C05 | C07 | S33 | 3.4° | 0.2° |
N04 | C05 | C06 | H061 | 0.0° | 89.9° |
N04 | C05 | C06 | H062 | 120.0° | 150.0° |
N04 | C05 | C06 | H063 | 120.0° | 30.1° |
C06 | C05 | C07 | C08 | 2.8° | 0.1° |
C06 | C05 | C07 | S33 | 177.7° | 179.7° |
C05 | C06 | H061 | H062 | 120.0° | 120.0° |
C05 | C06 | H061 | H063 | 120.0° | 120.0° |
C05 | C06 | H062 | H063 | 119.9° | 119.9° |
C05 | C07 | C08 | S33 | 174.1° | 179.8° |
C05 | C07 | C08 | N09 | 133.6° | 0.1° |
C05 | C07 | C08 | C30 | 46.2° | 179.8° |
C07 | C05 | C06 | H061 | 178.8° | 90.0° |
C07 | C05 | C06 | H062 | 58.8° | 30.1° |
C07 | C05 | C06 | H063 | 61.2° | 150.0° |
C07 | C08 | N09 | C30 | 179.9° | 179.7° |
C07 | C08 | N09 | C10 | 179.1° | 179.9° |
C07 | C08 | C30 | C29 | 179.7° | 179.8° |
C07 | C08 | C30 | C31 | 2.9° | 0.0° |
S33 | C07 | C08 | N09 | 40.5° | 179.7° |
S33 | C07 | C08 | C30 | 139.7° | 0.0° |
C08 | N09 | C10 | N11 | 179.5° | 180.0° |
C08 | N09 | C10 | N28 | 0.7° | 0.0° |
N09 | C08 | C30 | C29 | 0.2° | 0.5° |
N09 | C08 | C30 | C31 | 177.3° | 179.7° |
C30 | C08 | N09 | C10 | 0.7° | 0.2° |
C08 | C30 | C29 | N28 | 0.4° | 0.5° |
C08 | C30 | C29 | C31 | 177.5° | 179.8° |
C08 | C30 | C31 | N32 | 90.3° | 71.3° |
C08 | C30 | C29 | H29 | 179.7° | 179.7° |
N09 | C10 | N11 | N28 | 179.8° | 180.0° |
N09 | C10 | N11 | C12 | 14.4° | 175.7° |
N09 | C10 | N28 | C29 | 0.1° | 0.0° |
N09 | C10 | N11 | H11 | 165.6° | 4.2° |
C10 | N11 | C12 | H11 | 180.0° | 179.9° |
C10 | N11 | C12 | C13 | 165.1° | 35.4° |
C10 | N11 | C12 | C27 | 15.7° | 144.9° |
N11 | C10 | N28 | C29 | 179.9° | 180.0° |
N28 | C10 | N11 | C12 | 165.4° | 4.3° |
C10 | N28 | C29 | C30 | 0.4° | 0.2° |
N28 | C10 | N11 | H11 | 14.6° | 175.7° |
C10 | N28 | C29 | H29 | 179.6° | 180.0° |
N11 | C12 | C13 | C27 | 179.3° | 179.8° |
N11 | C12 | C13 | C14 | 179.6° | 180.0° |
N11 | C12 | C27 | C16 | 180.0° | 179.7° |
N11 | C12 | C13 | H13 | 0.4° | 0.0° |
N11 | C12 | C27 | H27 | 0.1° | 0.0° |
C12 | C13 | C14 | H13 | 180.0° | 180.0° |
C12 | C13 | C14 | C15 | 0.2° | 0.0° |
C13 | C12 | C27 | C16 | 0.9° | 0.6° |
C13 | C12 | N11 | H11 | 14.9° | 144.7° |
C13 | C12 | C27 | H27 | 179.1° | 179.8° |
C12 | C13 | C14 | H14 | 179.8° | 180.0° |
C27 | C12 | C13 | C14 | 0.3° | 0.2° |
C12 | C27 | C16 | C15 | 1.2° | 0.6° |
C12 | C27 | C16 | N17 | 179.3° | 179.7° |
C12 | C27 | C16 | H27 | 180.0° | 179.7° |
C27 | C12 | N11 | H11 | 164.3° | 35.1° |
C27 | C12 | C13 | H13 | 179.7° | 179.7° |
C13 | C14 | C15 | H14 | 180.0° | 179.9° |
C13 | C14 | C15 | C16 | 0.6° | 0.0° |
C13 | C14 | C15 | H15 | 179.4° | 180.0° |
C14 | C15 | C16 | H15 | 180.0° | 180.0° |
C14 | C15 | C16 | N17 | 179.3° | 180.0° |
C14 | C15 | C16 | C27 | 1.1° | 0.3° |
C15 | C14 | C13 | H13 | 179.8° | 180.0° |
C15 | C16 | N17 | C27 | 179.5° | 179.7° |
C15 | C16 | N17 | C18 | 31.0° | 124.5° |
C15 | C16 | N17 | C26 | 174.4° | 6.6° |
C15 | C16 | C27 | H27 | 178.7° | 179.8° |
C16 | C15 | C14 | H14 | 179.4° | 179.9° |
C16 | N17 | C18 | C26 | 152.4° | 128.2° |
C16 | N17 | C18 | C19 | 108.8° | 144.7° |
C16 | N17 | C26 | C25 | 166.2° | 168.3° |
N17 | C16 | C27 | H27 | 0.8° | 0.1° |
N17 | C16 | C15 | H15 | 0.7° | 0.0° |
C16 | N17 | C18 | H181 | 130.7° | 95.4° |
C16 | N17 | C18 | H182 | 11.7° | 24.9° |
C16 | N17 | C26 | H261 | 45.3° | 48.2° |
C16 | N17 | C26 | H262 | 73.0° | 71.5° |
C27 | C16 | N17 | C18 | 148.5° | 55.2° |
C27 | C16 | N17 | C26 | 5.1° | 173.7° |
C27 | C16 | C15 | H15 | 178.8° | 179.7° |
N17 | C18 | C19 | H181 | 120.5° | 119.8° |
N17 | C18 | C19 | H182 | 120.5° | 119.9° |
N17 | C18 | C19 | C20 | 31.3° | 92.4° |
C18 | N17 | C26 | C25 | 52.8° | 63.5° |
N17 | C18 | H181 | H182 | 118.4° | 120.2° |
C18 | N17 | C26 | H261 | 173.6° | 176.4° |
C18 | N17 | C26 | H262 | 68.1° | 56.7° |
N17 | C18 | C19 | H191 | 151.7° | 147.6° |
N17 | C18 | C19 | H192 | 89.1° | 27.7° |
C26 | N17 | C18 | C19 | 98.8° | 87.0° |
N17 | C26 | C25 | N21 | 15.5° | 69.8° |
N17 | C26 | C25 | H261 | 120.9° | 120.1° |
N17 | C26 | C25 | H262 | 120.9° | 120.2° |
C26 | N17 | C18 | H181 | 21.7° | 32.8° |
C26 | N17 | C18 | H182 | 140.7° | 153.1° |
N17 | C26 | H261 | H262 | 117.3° | 119.8° |
N17 | C26 | C25 | H251 | 106.0° | 170.1° |
N17 | C26 | C25 | H252 | 137.0° | 50.3° |
C18 | C19 | C20 | H191 | 120.4° | 120.1° |
C18 | C19 | C20 | H192 | 120.4° | 120.1° |
C18 | C19 | C20 | N21 | 48.2° | 40.0° |
C19 | C18 | H181 | H182 | 118.4° | 120.2° |
C18 | C19 | H191 | H192 | 118.7° | 119.9° |
C18 | C19 | C20 | H201 | 169.3° | 80.3° |
C18 | C19 | C20 | H202 | 72.8° | 160.5° |
C19 | C20 | N21 | H201 | 121.0° | 120.4° |
C19 | C20 | N21 | H202 | 121.0° | 120.6° |
C19 | C20 | N21 | C22 | 126.9° | 138.3° |
C19 | C20 | N21 | C25 | 53.6° | 41.7° |
C20 | C19 | C18 | H181 | 89.2° | 27.4° |
C20 | C19 | C18 | H182 | 151.8° | 147.7° |
C20 | C19 | H191 | H192 | 118.7° | 119.9° |
C19 | C20 | H201 | H202 | 116.8° | 119.2° |
C20 | N21 | C22 | C25 | 179.5° | 180.0° |
C20 | N21 | C22 | C23 | 179.4° | 176.0° |
C20 | N21 | C22 | O24 | 0.3° | 4.1° |
C20 | N21 | C25 | C26 | 9.0° | 89.7° |
N21 | C20 | C19 | H191 | 72.2° | 160.1° |
N21 | C20 | C19 | H192 | 168.6° | 80.1° |
N21 | C20 | H201 | H202 | 116.9° | 119.1° |
C20 | N21 | C25 | H251 | 112.4° | 150.2° |
C20 | N21 | C25 | H252 | 130.5° | 30.3° |
N21 | C22 | C23 | O24 | 179.7° | 179.9° |
C22 | N21 | C25 | C26 | 170.4° | 90.3° |
C22 | N21 | C20 | H201 | 5.9° | 17.9° |
C22 | N21 | C20 | H202 | 112.0° | 101.1° |
C22 | N21 | C25 | H251 | 68.1° | 29.7° |
C22 | N21 | C25 | H252 | 48.9° | 149.7° |
N21 | C22 | C23 | H231 | 179.7° | 5.6° |
N21 | C22 | C23 | H232 | 59.7° | 125.6° |
N21 | C22 | C23 | H233 | 60.3° | 114.4° |
C25 | N21 | C22 | C23 | 0.1° | 4.0° |
C25 | N21 | C22 | O24 | 179.8° | 176.0° |
N21 | C25 | C26 | H251 | 121.5° | 120.1° |
N21 | C25 | C26 | H252 | 121.5° | 120.1° |
N21 | C25 | C26 | H261 | 105.4° | 170.1° |
N21 | C25 | C26 | H262 | 136.4° | 50.4° |
C25 | N21 | C20 | H201 | 174.6° | 162.1° |
C25 | N21 | C20 | H202 | 67.4° | 78.8° |
N21 | C25 | H251 | H252 | 115.3° | 120.0° |
C22 | C23 | H231 | H232 | 120.0° | 120.0° |
C22 | C23 | H231 | H233 | 120.0° | 120.0° |
C22 | C23 | H232 | H233 | 120.0° | 120.0° |
O24 | C22 | C23 | H231 | 0.0° | 174.3° |
O24 | C22 | C23 | H232 | 120.0° | 54.3° |
O24 | C22 | C23 | H233 | 120.0° | 65.7° |
C25 | C26 | H261 | H262 | 117.3° | 119.7° |
C26 | C25 | H251 | H252 | 115.3° | 119.8° |
N28 | C29 | C30 | H29 | 180.0° | 179.8° |
N28 | C29 | C30 | C31 | 177.9° | 179.7° |
C29 | C30 | C31 | N32 | 92.3° | 108.5° |
C31 | C30 | C29 | H29 | 2.2° | 0.1° |
H011 | C01 | H012 | H013 | 120.0° | 120.0° |
H011 | C01 | N02 | H02 | 58.3° | 0.0° |
H012 | C01 | N02 | H02 | 61.6° | 120.0° |
H013 | C01 | N02 | H02 | 178.3° | 120.0° |
H061 | C06 | H062 | H063 | 120.0° | 120.0° |
H13 | C13 | C14 | H14 | 0.2° | 0.1° |
H14 | C14 | C15 | H15 | 0.6° | 0.1° |
H181 | C18 | C19 | H191 | 31.2° | 92.6° |
H181 | C18 | C19 | H192 | 150.4° | 147.5° |
H182 | C18 | C19 | H191 | 87.8° | 27.7° |
H182 | C18 | C19 | H192 | 31.4° | 92.2° |
H261 | C26 | C25 | H251 | 133.1° | 50.0° |
H261 | C26 | C25 | H252 | 16.1° | 69.8° |
H262 | C26 | C25 | H251 | 14.9° | 69.6° |
H262 | C26 | C25 | H252 | 102.2° | 170.5° |
H191 | C19 | C20 | H201 | 48.9° | 39.7° |
H191 | C19 | C20 | H202 | 166.8° | 79.4° |
H192 | C19 | C20 | H201 | 70.3° | 159.6° |
H192 | C19 | C20 | H202 | 47.6° | 40.4° |
H231 | C23 | H232 | H233 | 119.9° | 120.0° |