M2Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C19 | N18 | sing | 1.47Å | 1.42Å | |
C19 | C20 | sing | 1.53Å | 1.54Å | |
N18 | C17 | sing | 1.47Å | 1.42Å | |
C20 | N15 | sing | 1.47Å | 1.49Å | |
C17 | C16 | sing | 1.53Å | 1.53Å | |
N15 | C16 | sing | 1.47Å | 1.49Å | |
N15 | C14 | sing | 1.39Å | 1.49Å | |
C21 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
C22 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
C11 | C10 | sing | 1.48Å | 1.42Å | |
C24 | C23 | sing | 1.51Å | 1.50Å | |
C10 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
C10 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
C23 | C06 | sing | 1.40Å | 1.41Å | Aromatic |
C09 | N08 | doub | 1.32Å | 1.33Å | Aromatic |
N08 | C07 | sing | 1.32Å | 1.32Å | Aromatic |
C06 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
C06 | C05 | sing | 1.48Å | 1.45Å | |
C28 | O27 | sing | 1.43Å | 1.41Å | |
C25 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
C25 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
C05 | C04 | sing | 1.39Å | 1.42Å | Aromatic |
C26 | O27 | sing | 1.36Å | 1.39Å | |
C26 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
C04 | C03 | doub | 1.38Å | 1.41Å | Aromatic |
C29 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
C29 | O30 | sing | 1.36Å | 1.40Å | |
C03 | O02 | sing | 1.36Å | 1.41Å | |
C31 | O30 | sing | 1.43Å | 1.40Å | |
C01 | O02 | sing | 1.43Å | 1.41Å | |
C13 | H131 | sing | 1.08Å | 1.08Å | |
C17 | H172 | sing | 1.09Å | 1.10Å | |
C17 | H171 | 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 | H241 | sing | 1.09Å | 1.10Å | |
C24 | H242 | sing | 1.09Å | 1.10Å | |
C24 | H243 | sing | 1.09Å | 1.10Å | |
C28 | H281 | sing | 1.09Å | 1.10Å | |
C28 | H282 | sing | 1.09Å | 1.10Å | |
C28 | H283 | sing | 1.09Å | 1.10Å | |
C01 | H011 | sing | 1.09Å | 1.10Å | |
C01 | H012 | sing | 1.09Å | 1.10Å | |
C01 | H013 | 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 | |
C16 | H162 | sing | 1.09Å | 1.10Å | |
C16 | H161 | sing | 1.09Å | 1.10Å | |
C19 | H191 | sing | 1.09Å | 1.10Å | |
C19 | H192 | sing | 1.09Å | 1.10Å | |
C25 | H251 | sing | 1.08Å | 1.08Å | |
C31 | H313 | sing | 1.09Å | 1.10Å | |
C31 | H311 | sing | 1.09Å | 1.10Å | |
C31 | H312 | sing | 1.09Å | 1.10Å | |
N18 | H181 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N18 | C19 | C20 | 115.5° | 109.3° |
C19 | N18 | C17 | 114.0° | 110.9° |
N18 | C19 | H191 | 108.0° | 109.5° |
N18 | C19 | H192 | 107.9° | 109.5° |
C19 | N18 | H181 | 108.3° | 111.0° |
C19 | C20 | N15 | 114.8° | 109.4° |
C19 | C20 | H201 | 108.1° | 109.5° |
C19 | C20 | H202 | 108.1° | 109.5° |
C20 | C19 | H191 | 108.0° | 109.5° |
C20 | C19 | H192 | 107.9° | 109.5° |
N18 | C17 | C16 | 112.5° | 109.4° |
N18 | C17 | H172 | 108.7° | 109.5° |
N18 | C17 | H171 | 108.7° | 109.5° |
C17 | N18 | H181 | 108.3° | 111.0° |
C20 | N15 | C16 | 105.8° | 110.9° |
C20 | N15 | C14 | 121.0° | 111.1° |
N15 | C20 | H201 | 108.1° | 109.5° |
N15 | C20 | H202 | 108.1° | 109.5° |
C17 | C16 | N15 | 111.4° | 109.4° |
C16 | C17 | H172 | 108.7° | 109.5° |
C16 | C17 | H171 | 108.7° | 109.5° |
C17 | C16 | H162 | 109.0° | 109.5° |
C17 | C16 | H161 | 109.0° | 109.5° |
C16 | N15 | C14 | 119.7° | 111.0° |
N15 | C16 | H162 | 109.0° | 109.5° |
N15 | C16 | H161 | 109.0° | 109.5° |
N15 | C14 | C21 | 119.8° | 120.0° |
N15 | C14 | C13 | 121.3° | 119.9° |
C14 | C21 | C22 | 120.7° | 120.0° |
C21 | C14 | C13 | 118.9° | 120.1° |
C14 | C21 | H211 | 119.7° | 120.0° |
C21 | C22 | C11 | 121.3° | 120.0° |
C22 | C21 | H211 | 119.6° | 120.0° |
C21 | C22 | H221 | 119.4° | 120.0° |
C14 | C13 | C12 | 119.9° | 120.1° |
C14 | C13 | H131 | 120.1° | 119.9° |
C22 | C11 | C12 | 118.1° | 119.9° |
C22 | C11 | C10 | 127.1° | 120.0° |
C11 | C22 | H221 | 119.3° | 120.0° |
C13 | C12 | C11 | 120.9° | 119.9° |
C12 | C13 | H131 | 120.0° | 120.0° |
C13 | C12 | H121 | 119.6° | 120.0° |
C12 | C11 | C10 | 114.4° | 120.1° |
C11 | C12 | H121 | 119.6° | 120.0° |
C11 | C10 | C23 | 124.5° | 120.5° |
C11 | C10 | C09 | 116.6° | 120.5° |
C24 | C23 | C10 | 120.6° | 120.9° |
C24 | C23 | C06 | 121.2° | 120.9° |
C23 | C24 | H241 | 109.5° | 109.5° |
C23 | C24 | H242 | 109.5° | 109.5° |
C23 | C24 | H243 | 109.5° | 109.4° |
C23 | C10 | C09 | 118.8° | 119.0° |
C10 | C23 | C06 | 118.3° | 118.2° |
C10 | C09 | N08 | 121.8° | 120.9° |
C10 | C09 | H091 | 119.1° | 119.5° |
C23 | C06 | C07 | 118.4° | 119.1° |
C23 | C06 | C05 | 125.7° | 120.5° |
C09 | N08 | C07 | 120.5° | 122.0° |
N08 | C09 | H091 | 119.1° | 119.6° |
N08 | C07 | C06 | 122.1° | 120.9° |
N08 | C07 | H071 | 119.0° | 119.6° |
C07 | C06 | C05 | 115.4° | 120.5° |
C06 | C07 | H071 | 119.0° | 119.6° |
C06 | C05 | C25 | 125.7° | 120.0° |
C06 | C05 | C04 | 114.8° | 120.0° |
C28 | O27 | C26 | 116.5° | 117.0° |
O27 | C28 | H281 | 109.5° | 109.4° |
O27 | C28 | H282 | 109.4° | 109.4° |
O27 | C28 | H283 | 109.4° | 109.5° |
C05 | C25 | C26 | 118.9° | 119.9° |
C25 | C05 | C04 | 119.2° | 120.0° |
C05 | C25 | H251 | 120.6° | 120.0° |
C25 | C26 | O27 | 121.8° | 120.0° |
C25 | C26 | C29 | 121.9° | 120.0° |
C26 | C25 | H251 | 120.6° | 120.0° |
C05 | C04 | C03 | 121.6° | 120.0° |
C05 | C04 | H041 | 119.2° | 120.0° |
O27 | C26 | C29 | 116.3° | 120.0° |
C26 | C29 | C03 | 120.0° | 120.1° |
C26 | C29 | O30 | 119.9° | 119.9° |
C04 | C03 | C29 | 118.3° | 120.0° |
C04 | C03 | O02 | 125.2° | 120.0° |
C03 | C04 | H041 | 119.2° | 120.0° |
C03 | C29 | O30 | 120.1° | 120.0° |
C29 | C03 | O02 | 116.4° | 120.0° |
C29 | O30 | C31 | 117.1° | 117.0° |
C03 | O02 | C01 | 116.7° | 117.0° |
O30 | C31 | H313 | 109.5° | 109.4° |
O30 | C31 | H311 | 109.5° | 109.4° |
O30 | C31 | H312 | 109.5° | 109.4° |
O02 | C01 | H011 | 109.5° | 109.4° |
O02 | C01 | H012 | 109.5° | 109.5° |
O02 | C01 | H013 | 109.5° | 109.5° |
H172 | C17 | H171 | 109.4° | 109.5° |
H201 | C20 | H202 | 109.5° | 109.5° |
H241 | C24 | H242 | 109.5° | 109.4° |
H241 | C24 | H243 | 109.5° | 109.5° |
H242 | C24 | H243 | 109.5° | 109.5° |
H281 | C28 | H282 | 109.5° | 109.5° |
H281 | C28 | H283 | 109.4° | 109.5° |
H282 | C28 | H283 | 109.5° | 109.5° |
H011 | C01 | H012 | 109.5° | 109.4° |
H011 | C01 | H013 | 109.5° | 109.5° |
H012 | C01 | H013 | 109.4° | 109.5° |
H162 | C16 | H161 | 109.5° | 109.5° |
H191 | C19 | H192 | 109.5° | 109.6° |
H313 | C31 | H311 | 109.5° | 109.5° |
H313 | C31 | H312 | 109.4° | 109.5° |
H311 | C31 | H312 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N18 | C19 | C20 | H191 | 120.9° | 120.0° |
N18 | C19 | C20 | H192 | 120.9° | 119.9° |
C19 | N18 | C17 | H181 | 120.7° | 123.9° |
N18 | C19 | C20 | N15 | 44.9° | 58.4° |
C19 | N18 | C17 | C16 | 49.6° | 59.3° |
C19 | N18 | C17 | H172 | 70.9° | 179.3° |
C19 | N18 | C17 | H171 | 170.0° | 60.6° |
N18 | C19 | C20 | H201 | 75.9° | 61.6° |
N18 | C19 | C20 | H202 | 165.7° | 178.4° |
N18 | C19 | H191 | H192 | 117.2° | 120.1° |
C20 | C19 | N18 | C17 | 42.1° | 59.3° |
C19 | C20 | N15 | H201 | 120.8° | 120.0° |
C19 | C20 | N15 | H202 | 120.8° | 120.0° |
C19 | C20 | N15 | C16 | 51.9° | 59.3° |
C19 | C20 | N15 | C14 | 167.7° | 176.8° |
C19 | C20 | H201 | H202 | 117.6° | 120.0° |
C20 | C19 | H191 | H192 | 117.3° | 120.1° |
C20 | C19 | N18 | H181 | 162.7° | 176.9° |
N18 | C17 | C16 | H172 | 120.5° | 120.0° |
N18 | C17 | C16 | H171 | 120.5° | 119.9° |
N18 | C17 | C16 | N15 | 60.5° | 58.4° |
N18 | C17 | H172 | H171 | 118.6° | 120.0° |
N18 | C17 | C16 | H162 | 179.2° | 178.3° |
N18 | C17 | C16 | H161 | 59.8° | 61.6° |
C17 | N18 | C19 | H191 | 163.0° | 60.6° |
C17 | N18 | C19 | H192 | 78.8° | 179.2° |
C20 | N15 | C16 | C17 | 59.1° | 59.3° |
C20 | N15 | C16 | C14 | 141.1° | 123.9° |
C20 | N15 | C14 | C21 | 11.3° | 180.0° |
C20 | N15 | C14 | C13 | 166.8° | 0.0° |
N15 | C20 | H201 | H202 | 117.6° | 120.0° |
C20 | N15 | C16 | H162 | 179.4° | 179.3° |
C20 | N15 | C16 | H161 | 61.1° | 60.7° |
N15 | C20 | C19 | H191 | 165.8° | 61.5° |
N15 | C20 | C19 | H192 | 75.9° | 178.4° |
C17 | C16 | N15 | H162 | 120.3° | 120.0° |
C17 | C16 | N15 | H161 | 120.3° | 120.0° |
C17 | C16 | N15 | C14 | 159.8° | 176.8° |
C16 | C17 | H172 | H171 | 118.6° | 120.1° |
C17 | C16 | H162 | H161 | 119.1° | 120.0° |
C16 | C17 | N18 | H181 | 170.2° | 176.8° |
C16 | N15 | C14 | C21 | 146.4° | 56.1° |
C16 | N15 | C14 | C13 | 31.7° | 123.8° |
N15 | C16 | C17 | H172 | 60.0° | 178.4° |
N15 | C16 | C17 | H171 | 179.0° | 61.6° |
C16 | N15 | C20 | H201 | 68.9° | 60.7° |
C16 | N15 | C20 | H202 | 172.6° | 179.3° |
N15 | C16 | H162 | H161 | 119.1° | 120.0° |
N15 | C14 | C21 | C13 | 178.1° | 179.9° |
N15 | C14 | C21 | C22 | 179.2° | 180.0° |
N15 | C14 | C13 | C12 | 179.5° | 180.0° |
N15 | C14 | C13 | H131 | 0.5° | 0.3° |
C14 | N15 | C20 | H201 | 71.5° | 63.2° |
C14 | N15 | C20 | H202 | 46.9° | 56.8° |
N15 | C14 | C21 | H211 | 0.8° | 0.1° |
C14 | N15 | C16 | H162 | 39.5° | 56.8° |
C14 | N15 | C16 | H161 | 79.9° | 63.2° |
C14 | C21 | C22 | H211 | 180.0° | 179.9° |
C14 | C21 | C22 | C11 | 2.8° | 0.3° |
C21 | C14 | C13 | C12 | 1.4° | 0.1° |
C21 | C14 | C13 | H131 | 178.6° | 179.7° |
C14 | C21 | C22 | H221 | 177.2° | 179.9° |
C22 | C21 | C14 | C13 | 1.1° | 0.1° |
C21 | C22 | C11 | H221 | 180.0° | 179.7° |
C21 | C22 | C11 | C12 | 4.6° | 0.6° |
C21 | C22 | C11 | C10 | 177.8° | 180.0° |
C14 | C13 | C12 | H131 | 180.0° | 179.7° |
C14 | C13 | C12 | C11 | 3.3° | 0.3° |
C13 | C14 | C21 | H211 | 179.0° | 180.0° |
C14 | C13 | C12 | H121 | 176.6° | 179.8° |
C22 | C11 | C12 | C13 | 4.9° | 0.6° |
C22 | C11 | C12 | C10 | 174.0° | 179.4° |
C22 | C11 | C10 | C23 | 55.7° | 130.0° |
C22 | C11 | C10 | C09 | 127.2° | 50.3° |
C11 | C22 | C21 | H211 | 177.2° | 179.8° |
C22 | C11 | C12 | H121 | 175.1° | 179.5° |
C13 | C12 | C11 | H121 | 180.0° | 179.9° |
C13 | C12 | C11 | C10 | 178.9° | 180.0° |
C12 | C11 | C10 | C23 | 117.7° | 50.5° |
C12 | C11 | C10 | C09 | 59.4° | 129.2° |
C11 | C12 | C13 | H131 | 176.7° | 180.0° |
C12 | C11 | C22 | H221 | 175.4° | 179.7° |
C11 | C10 | C23 | C24 | 2.9° | 0.3° |
C11 | C10 | C23 | C09 | 177.1° | 179.7° |
C11 | C10 | C23 | C06 | 178.0° | 179.7° |
C11 | C10 | C09 | N08 | 178.8° | 179.7° |
C10 | C11 | C22 | H221 | 2.2° | 0.3° |
C11 | C10 | C09 | H091 | 1.1° | 0.2° |
C10 | C11 | C12 | H121 | 1.0° | 0.1° |
C24 | C23 | C10 | C06 | 179.1° | 180.0° |
C24 | C23 | C10 | C09 | 180.0° | 180.0° |
C24 | C23 | C06 | C07 | 179.2° | 180.0° |
C24 | C23 | C06 | C05 | 7.1° | 0.0° |
C23 | C24 | H241 | H242 | 120.0° | 120.0° |
C23 | C24 | H241 | H243 | 120.0° | 120.0° |
C23 | C24 | H242 | H243 | 120.0° | 120.0° |
C23 | C10 | C09 | N08 | 1.5° | 0.0° |
C10 | C23 | C06 | C07 | 1.7° | 0.0° |
C10 | C23 | C06 | C05 | 173.9° | 180.0° |
C10 | C23 | C24 | H241 | 90.5° | 88.8° |
C10 | C23 | C24 | H242 | 149.5° | 151.2° |
C10 | C23 | C24 | H243 | 29.5° | 31.2° |
C23 | C10 | C09 | H091 | 178.4° | 179.9° |
C09 | C10 | C23 | C06 | 0.9° | 0.0° |
C10 | C09 | N08 | H091 | 180.0° | 180.0° |
C10 | C09 | N08 | C07 | 3.0° | 0.0° |
C23 | C06 | C07 | N08 | 3.2° | 0.0° |
C23 | C06 | C07 | C05 | 172.9° | 180.0° |
C23 | C06 | C05 | C25 | 124.5° | 56.2° |
C23 | C06 | C05 | C04 | 62.1° | 124.0° |
C06 | C23 | C24 | H241 | 90.5° | 91.2° |
C06 | C23 | C24 | H242 | 29.5° | 28.7° |
C06 | C23 | C24 | H243 | 149.5° | 148.8° |
C23 | C06 | C07 | H071 | 176.7° | 180.0° |
C09 | N08 | C07 | C06 | 3.9° | 0.0° |
C09 | N08 | C07 | H071 | 176.1° | 180.0° |
N08 | C07 | C06 | H071 | 180.0° | 180.0° |
N08 | C07 | C06 | C05 | 176.2° | 180.0° |
C07 | N08 | C09 | H091 | 177.0° | 180.0° |
C07 | C06 | C05 | C25 | 63.1° | 123.8° |
C07 | C06 | C05 | C04 | 110.2° | 56.0° |
C06 | C05 | C25 | C04 | 173.1° | 179.8° |
C06 | C05 | C25 | C26 | 176.4° | 179.7° |
C06 | C05 | C04 | C03 | 177.9° | 180.0° |
C06 | C05 | C04 | H041 | 2.1° | 0.2° |
C05 | C06 | C07 | H071 | 3.8° | 0.0° |
C06 | C05 | C25 | H251 | 3.6° | 0.2° |
C28 | O27 | C26 | C25 | 17.7° | 0.3° |
C28 | O27 | C26 | C29 | 162.8° | 180.0° |
O27 | C28 | H281 | H282 | 120.0° | 120.0° |
O27 | C28 | H281 | H283 | 120.0° | 120.0° |
O27 | C28 | H282 | H283 | 120.0° | 120.0° |
C05 | C25 | C26 | H251 | 180.0° | 179.9° |
C05 | C25 | C26 | O27 | 178.9° | 180.0° |
C05 | C25 | C26 | C29 | 1.6° | 0.3° |
C25 | C05 | C04 | C03 | 4.1° | 0.2° |
C25 | C05 | C04 | H041 | 175.9° | 180.0° |
C26 | C25 | C05 | C04 | 3.3° | 0.0° |
C25 | C26 | O27 | C29 | 179.5° | 179.7° |
C25 | C26 | C29 | C03 | 0.6° | 0.3° |
C25 | C26 | C29 | O30 | 177.7° | 179.7° |
C05 | C04 | C03 | H041 | 180.0° | 179.8° |
C05 | C04 | C03 | C29 | 3.0° | 0.3° |
C05 | C04 | C03 | O02 | 179.5° | 179.8° |
C04 | C05 | C25 | H251 | 176.7° | 179.9° |
O27 | C26 | C29 | C03 | 180.0° | 180.0° |
O27 | C26 | C29 | O30 | 1.8° | 0.0° |
C26 | O27 | C28 | H281 | 180.0° | 60.0° |
C26 | O27 | C28 | H282 | 60.0° | 180.0° |
C26 | O27 | C28 | H283 | 60.0° | 60.0° |
O27 | C26 | C25 | H251 | 1.1° | 0.1° |
C26 | C29 | C03 | C04 | 1.2° | 0.0° |
C26 | C29 | C03 | O30 | 178.3° | 179.9° |
C26 | C29 | C03 | O02 | 179.0° | 180.0° |
C26 | C29 | O30 | C31 | 75.9° | 90.0° |
C29 | C26 | C25 | H251 | 178.4° | 179.8° |
C04 | C03 | C29 | O02 | 177.8° | 180.0° |
C04 | C03 | C29 | O30 | 177.1° | 179.9° |
C04 | C03 | O02 | C01 | 10.7° | 0.0° |
C03 | C29 | O30 | C31 | 105.8° | 90.0° |
C29 | C03 | O02 | C01 | 171.7° | 180.0° |
C29 | C03 | C04 | H041 | 177.0° | 180.0° |
O30 | C29 | C03 | O02 | 0.7° | 0.1° |
C29 | O30 | C31 | H313 | 180.0° | 60.0° |
C29 | O30 | C31 | H311 | 60.0° | 60.0° |
C29 | O30 | C31 | H312 | 60.0° | 180.0° |
C03 | O02 | C01 | H011 | 180.0° | 60.0° |
C03 | O02 | C01 | H012 | 60.0° | 59.9° |
C03 | O02 | C01 | H013 | 60.0° | 180.0° |
O02 | C03 | C04 | H041 | 0.5° | 0.0° |
O30 | C31 | H313 | H311 | 120.0° | 120.0° |
O30 | C31 | H313 | H312 | 120.0° | 119.9° |
O30 | C31 | H311 | H312 | 120.0° | 119.9° |
O02 | C01 | H011 | H012 | 120.0° | 120.0° |
O02 | C01 | H011 | H013 | 120.0° | 120.0° |
O02 | C01 | H012 | H013 | 120.0° | 120.1° |
H131 | C13 | C12 | H121 | 3.3° | 0.1° |
H172 | C17 | C16 | H162 | 60.3° | 61.7° |
H172 | C17 | C16 | H161 | 179.7° | 58.4° |
H172 | C17 | N18 | H181 | 49.8° | 56.8° |
H171 | C17 | C16 | H162 | 58.8° | 58.4° |
H171 | C17 | C16 | H161 | 60.7° | 178.4° |
H171 | C17 | N18 | H181 | 69.3° | 63.2° |
H201 | C20 | C19 | H191 | 45.0° | 178.5° |
H201 | C20 | C19 | H192 | 163.3° | 58.4° |
H202 | C20 | C19 | H191 | 73.4° | 58.4° |
H202 | C20 | C19 | H192 | 44.8° | 61.7° |
H211 | C21 | C22 | H221 | 2.8° | 0.0° |
H241 | C24 | H242 | H243 | 120.0° | 120.0° |
H281 | C28 | H282 | H283 | 120.0° | 120.0° |
H011 | C01 | H012 | H013 | 120.0° | 120.0° |
H191 | C19 | N18 | H181 | 76.3° | 63.2° |
H192 | C19 | N18 | H181 | 41.9° | 56.9° |
H313 | C31 | H311 | H312 | 120.0° | 120.1° |