Q5Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N08 | C07 | doub | 1.32Å | 1.32Å | Aromatic |
N08 | C09 | sing | 1.32Å | 1.33Å | Aromatic |
C01 | O02 | sing | 1.43Å | 1.41Å | |
C07 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
C09 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
O02 | C03 | sing | 1.36Å | 1.40Å | |
C04 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
C04 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
C31 | O30 | sing | 1.43Å | 1.40Å | |
C03 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
C06 | C05 | sing | 1.48Å | 1.43Å | |
C06 | C23 | doub | 1.40Å | 1.42Å | Aromatic |
C10 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
C10 | C11 | sing | 1.48Å | 1.42Å | |
C05 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
C23 | C24 | sing | 1.51Å | 1.53Å | |
C22 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
C29 | O30 | sing | 1.36Å | 1.39Å | |
C29 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
C21 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
C26 | O27 | sing | 1.36Å | 1.39Å | |
C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
C14 | C15 | sing | 1.51Å | 1.52Å | |
C20 | C15 | sing | 1.53Å | 1.39Å | |
C20 | C19 | sing | 1.53Å | 1.64Å | |
O27 | C28 | sing | 1.43Å | 1.39Å | |
C15 | C16 | sing | 1.53Å | 1.54Å | |
C19 | N18 | sing | 1.47Å | 1.31Å | |
N18 | C17 | sing | 1.47Å | 1.60Å | |
C16 | C17 | sing | 1.53Å | 1.44Å | |
C13 | H131 | sing | 1.08Å | 1.08Å | |
C15 | H1 | sing | 1.09Å | 1.10Å | |
C17 | H171 | sing | 1.09Å | 1.10Å | |
C17 | H172 | sing | 1.09Å | 1.10Å | |
C20 | H202 | sing | 1.09Å | 1.10Å | |
C20 | H201 | sing | 1.09Å | 1.10Å | |
C21 | H211 | sing | 1.08Å | 1.08Å | |
C22 | H221 | sing | 1.08Å | 1.08Å | |
C24 | H243 | sing | 1.09Å | 1.10Å | |
C24 | H242 | sing | 1.09Å | 1.10Å | |
C24 | H241 | 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 | H013 | sing | 1.09Å | 1.10Å | |
C01 | H012 | 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 | H161 | sing | 1.09Å | 1.10Å | |
C16 | H2 | 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 | H312 | sing | 1.09Å | 1.10Å | |
C31 | H313 | sing | 1.09Å | 1.10Å | |
C31 | H311 | sing | 1.09Å | 1.10Å | |
N18 | H3 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C07 | N08 | C09 | 120.5° | 122.0° |
N08 | C07 | C06 | 123.9° | 120.9° |
N08 | C07 | H071 | 118.1° | 119.6° |
N08 | C09 | C10 | 121.7° | 120.9° |
N08 | C09 | H091 | 119.2° | 119.6° |
C01 | O02 | C03 | 116.4° | 117.0° |
O02 | C01 | H011 | 109.5° | 109.4° |
O02 | C01 | H013 | 109.5° | 109.4° |
O02 | C01 | H012 | 109.5° | 109.5° |
C07 | C06 | C05 | 119.9° | 120.5° |
C07 | C06 | C23 | 116.2° | 119.0° |
C06 | C07 | H071 | 118.0° | 119.5° |
C09 | C10 | C23 | 117.9° | 119.0° |
C09 | C10 | C11 | 118.2° | 120.5° |
C10 | C09 | H091 | 119.1° | 119.6° |
O02 | C03 | C04 | 124.3° | 120.0° |
O02 | C03 | C29 | 115.7° | 120.0° |
C03 | C04 | C05 | 120.7° | 120.0° |
C04 | C03 | C29 | 119.9° | 120.0° |
C03 | C04 | H041 | 119.6° | 120.0° |
C04 | C05 | C06 | 118.9° | 120.0° |
C04 | C05 | C25 | 118.6° | 119.9° |
C05 | C04 | H041 | 119.6° | 120.0° |
C31 | O30 | C29 | 115.5° | 117.0° |
O30 | C31 | H312 | 109.5° | 109.4° |
O30 | C31 | H313 | 109.5° | 109.4° |
O30 | C31 | H311 | 109.5° | 109.5° |
C03 | C29 | O30 | 118.7° | 120.0° |
C03 | C29 | C26 | 119.9° | 120.0° |
C05 | C06 | C23 | 123.9° | 120.4° |
C06 | C05 | C25 | 122.5° | 120.1° |
C06 | C23 | C10 | 119.8° | 118.2° |
C06 | C23 | C24 | 119.8° | 120.9° |
C23 | C10 | C11 | 123.9° | 120.5° |
C10 | C23 | C24 | 120.3° | 120.9° |
C10 | C11 | C22 | 121.8° | 120.1° |
C10 | C11 | C12 | 121.4° | 120.1° |
C05 | C25 | C26 | 120.3° | 120.0° |
C05 | C25 | H251 | 119.9° | 120.0° |
C23 | C24 | H243 | 109.5° | 109.5° |
C23 | C24 | H242 | 109.5° | 109.5° |
C23 | C24 | H241 | 109.5° | 109.5° |
C11 | C22 | C21 | 122.3° | 119.9° |
C22 | C11 | C12 | 116.8° | 119.8° |
C11 | C22 | H221 | 118.8° | 120.1° |
C22 | C21 | C14 | 120.1° | 120.1° |
C22 | C21 | H211 | 120.0° | 120.0° |
C21 | C22 | H221 | 118.8° | 120.1° |
C11 | C12 | C13 | 121.5° | 119.9° |
C11 | C12 | H121 | 119.3° | 120.0° |
O30 | C29 | C26 | 121.4° | 120.0° |
C29 | C26 | C25 | 120.5° | 120.1° |
C29 | C26 | O27 | 117.3° | 120.0° |
C21 | C14 | C13 | 118.7° | 120.2° |
C21 | C14 | C15 | 121.0° | 119.9° |
C14 | C21 | H211 | 119.9° | 119.9° |
C25 | C26 | O27 | 122.2° | 119.9° |
C26 | C25 | H251 | 119.8° | 120.0° |
C26 | O27 | C28 | 117.5° | 117.0° |
C12 | C13 | C14 | 120.6° | 120.1° |
C12 | C13 | H131 | 119.7° | 119.9° |
C13 | C12 | H121 | 119.2° | 120.1° |
C13 | C14 | C15 | 120.3° | 119.9° |
C14 | C13 | H131 | 119.7° | 119.9° |
C14 | C15 | C20 | 116.8° | 109.6° |
C14 | C15 | C16 | 115.6° | 109.5° |
C14 | C15 | H1 | 101.4° | 109.5° |
C15 | C20 | C19 | 113.2° | 109.3° |
C20 | C15 | C16 | 115.5° | 109.2° |
C20 | C15 | H1 | 102.5° | 109.5° |
C15 | C20 | H202 | 108.5° | 109.5° |
C15 | C20 | H201 | 108.5° | 109.5° |
C20 | C19 | N18 | 114.4° | 109.5° |
C19 | C20 | H202 | 108.5° | 109.5° |
C19 | C20 | H201 | 108.6° | 109.5° |
C20 | C19 | H192 | 108.3° | 109.5° |
C20 | C19 | H191 | 108.3° | 109.4° |
O27 | C28 | H281 | 109.5° | 109.5° |
O27 | C28 | H282 | 109.5° | 109.5° |
O27 | C28 | H283 | 109.5° | 109.4° |
C15 | C16 | C17 | 117.4° | 109.3° |
C16 | C15 | H1 | 101.2° | 109.5° |
C15 | C16 | H161 | 107.5° | 109.5° |
C15 | C16 | H2 | 107.5° | 109.5° |
C19 | N18 | C17 | 115.9° | 111.2° |
N18 | C19 | H192 | 108.2° | 109.5° |
N18 | C19 | H191 | 108.2° | 109.4° |
C19 | N18 | H3 | 107.8° | 111.0° |
N18 | C17 | C16 | 111.1° | 109.5° |
N18 | C17 | H171 | 109.1° | 109.5° |
N18 | C17 | H172 | 109.1° | 109.4° |
C17 | N18 | H3 | 107.8° | 111.0° |
C16 | C17 | H171 | 109.1° | 109.5° |
C16 | C17 | H172 | 109.1° | 109.4° |
C17 | C16 | H161 | 107.4° | 109.4° |
C17 | C16 | H2 | 107.4° | 109.5° |
H171 | C17 | H172 | 109.4° | 109.5° |
H202 | C20 | H201 | 109.5° | 109.6° |
H243 | C24 | H242 | 109.4° | 109.4° |
H243 | C24 | H241 | 109.5° | 109.5° |
H242 | C24 | H241 | 109.5° | 109.4° |
H281 | C28 | H282 | 109.5° | 109.5° |
H281 | C28 | H283 | 109.4° | 109.4° |
H282 | C28 | H283 | 109.5° | 109.5° |
H011 | C01 | H013 | 109.5° | 109.5° |
H011 | C01 | H012 | 109.4° | 109.5° |
H013 | C01 | H012 | 109.5° | 109.5° |
H161 | C16 | H2 | 109.5° | 109.6° |
H192 | C19 | H191 | 109.5° | 109.5° |
H312 | C31 | H313 | 109.5° | 109.5° |
H312 | C31 | H311 | 109.5° | 109.5° |
H313 | C31 | H311 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N08 | C07 | C06 | H071 | 180.0° | 180.0° |
C07 | N08 | C09 | C10 | 0.3° | 0.1° |
N08 | C07 | C06 | C05 | 178.5° | 180.0° |
N08 | C07 | C06 | C23 | 0.2° | 0.5° |
C07 | N08 | C09 | H091 | 179.7° | 180.0° |
C09 | N08 | C07 | C06 | 0.1° | 0.2° |
N08 | C09 | C10 | H091 | 180.0° | 180.0° |
N08 | C09 | C10 | C23 | 0.6° | 0.0° |
N08 | C09 | C10 | C11 | 179.8° | 179.7° |
C09 | N08 | C07 | H071 | 179.9° | 179.8° |
C01 | O02 | C03 | C04 | 12.1° | 0.1° |
C01 | O02 | C03 | C29 | 169.8° | 180.0° |
O02 | C01 | H011 | H013 | 120.0° | 120.0° |
O02 | C01 | H011 | H012 | 120.0° | 120.0° |
O02 | C01 | H013 | H012 | 120.0° | 120.0° |
C07 | C06 | C05 | C04 | 120.3° | 55.7° |
C07 | C06 | C05 | C23 | 178.5° | 179.5° |
C07 | C06 | C23 | C10 | 0.1° | 0.5° |
C07 | C06 | C05 | C25 | 57.7° | 123.8° |
C07 | C06 | C23 | C24 | 177.9° | 179.5° |
C09 | C10 | C23 | C06 | 0.5° | 0.3° |
C09 | C10 | C23 | C11 | 179.2° | 179.7° |
C09 | C10 | C23 | C24 | 178.2° | 179.7° |
C09 | C10 | C11 | C22 | 135.5° | 50.3° |
C09 | C10 | C11 | C12 | 42.6° | 130.0° |
O02 | C03 | C04 | C29 | 178.0° | 179.9° |
O02 | C03 | C04 | C05 | 179.9° | 179.7° |
O02 | C03 | C29 | O30 | 1.7° | 0.0° |
O02 | C03 | C29 | C26 | 178.9° | 180.0° |
C03 | O02 | C01 | H011 | 180.0° | 180.0° |
C03 | O02 | C01 | H013 | 60.0° | 60.0° |
C03 | O02 | C01 | H012 | 60.0° | 60.0° |
O02 | C03 | C04 | H041 | 0.1° | 0.1° |
C03 | C04 | C05 | H041 | 180.0° | 179.6° |
C03 | C04 | C05 | C06 | 179.1° | 180.0° |
C03 | C04 | C05 | C25 | 2.9° | 0.4° |
C04 | C03 | C29 | O30 | 179.8° | 180.0° |
C04 | C03 | C29 | C26 | 0.7° | 0.0° |
C05 | C04 | C03 | C29 | 2.2° | 0.4° |
C04 | C05 | C06 | C25 | 178.0° | 179.6° |
C04 | C05 | C06 | C23 | 58.2° | 124.8° |
C04 | C05 | C25 | C26 | 2.2° | 0.1° |
C04 | C05 | C25 | H251 | 177.8° | 179.9° |
C31 | O30 | C29 | C03 | 99.3° | 90.0° |
C31 | O30 | C29 | C26 | 81.3° | 90.0° |
O30 | C31 | H312 | H313 | 120.0° | 119.9° |
O30 | C31 | H312 | H311 | 120.0° | 120.0° |
O30 | C31 | H313 | H311 | 120.0° | 120.0° |
C03 | C29 | O30 | C26 | 179.4° | 180.0° |
C03 | C29 | C26 | C25 | 0.1° | 0.3° |
C03 | C29 | C26 | O27 | 179.7° | 180.0° |
C29 | C03 | C04 | H041 | 177.8° | 180.0° |
C05 | C06 | C23 | C10 | 178.7° | 180.0° |
C05 | C06 | C23 | C24 | 3.5° | 0.0° |
C06 | C05 | C25 | C26 | 179.9° | 179.7° |
C06 | C05 | C04 | H041 | 0.9° | 0.4° |
C05 | C06 | C07 | H071 | 1.5° | 0.0° |
C06 | C05 | C25 | H251 | 0.2° | 0.4° |
C06 | C23 | C10 | C24 | 177.7° | 180.0° |
C06 | C23 | C10 | C11 | 179.7° | 180.0° |
C23 | C06 | C05 | C25 | 123.8° | 55.6° |
C06 | C23 | C24 | H243 | 88.9° | 94.0° |
C06 | C23 | C24 | H242 | 151.1° | 26.0° |
C06 | C23 | C24 | H241 | 31.1° | 146.0° |
C23 | C06 | C07 | H071 | 179.8° | 179.5° |
C23 | C10 | C11 | C22 | 43.8° | 130.0° |
C23 | C10 | C11 | C12 | 138.2° | 49.7° |
C10 | C23 | C24 | H243 | 88.8° | 86.0° |
C10 | C23 | C24 | H242 | 31.1° | 154.0° |
C10 | C23 | C24 | H241 | 151.1° | 34.1° |
C23 | C10 | C09 | H091 | 179.4° | 180.0° |
C11 | C10 | C23 | C24 | 2.5° | 0.0° |
C10 | C11 | C22 | C12 | 178.2° | 179.7° |
C10 | C11 | C22 | C21 | 178.8° | 180.0° |
C10 | C11 | C12 | C13 | 179.4° | 179.7° |
C10 | C11 | C22 | H221 | 1.1° | 0.3° |
C11 | C10 | C09 | H091 | 0.1° | 0.3° |
C10 | C11 | C12 | H121 | 0.6° | 0.2° |
C05 | C25 | C26 | C29 | 0.8° | 0.2° |
C05 | C25 | C26 | H251 | 180.0° | 180.0° |
C05 | C25 | C26 | O27 | 179.0° | 179.9° |
C25 | C05 | C04 | H041 | 177.1° | 180.0° |
C23 | C24 | H243 | H242 | 120.0° | 120.0° |
C23 | C24 | H243 | H241 | 120.0° | 120.1° |
C23 | C24 | H242 | H241 | 120.0° | 120.0° |
C11 | C22 | C21 | H221 | 180.0° | 179.7° |
C11 | C22 | C21 | C14 | 0.0° | 0.3° |
C22 | C11 | C12 | C13 | 1.2° | 0.0° |
C11 | C22 | C21 | H211 | 180.0° | 179.7° |
C22 | C11 | C12 | H121 | 178.8° | 180.0° |
C21 | C22 | C11 | C12 | 0.7° | 0.3° |
C22 | C21 | C14 | H211 | 180.0° | 180.0° |
C22 | C21 | C14 | C13 | 0.1° | 0.0° |
C22 | C21 | C14 | C15 | 179.3° | 180.0° |
C11 | C12 | C13 | H121 | 180.0° | 180.0° |
C11 | C12 | C13 | C14 | 1.2° | 0.3° |
C11 | C12 | C13 | H131 | 178.8° | 180.0° |
C12 | C11 | C22 | H221 | 179.3° | 179.9° |
O30 | C29 | C26 | C25 | 179.5° | 179.7° |
O30 | C29 | C26 | O27 | 0.3° | 0.0° |
C29 | O30 | C31 | H312 | 180.0° | 60.0° |
C29 | O30 | C31 | H313 | 60.0° | 60.0° |
C29 | O30 | C31 | H311 | 60.0° | 180.0° |
C29 | C26 | C25 | O27 | 179.8° | 179.7° |
C29 | C26 | O27 | C28 | 176.3° | 179.7° |
C29 | C26 | C25 | H251 | 179.2° | 179.7° |
C21 | C14 | C13 | C12 | 0.4° | 0.3° |
C21 | C14 | C13 | C15 | 179.4° | 180.0° |
C21 | C14 | C15 | C20 | 2.6° | 120.3° |
C21 | C14 | C15 | C16 | 138.5° | 120.0° |
C21 | C14 | C13 | H131 | 179.5° | 180.0° |
C21 | C14 | C15 | H1 | 113.0° | 0.1° |
C14 | C21 | C22 | H221 | 180.0° | 179.9° |
C25 | C26 | O27 | C28 | 3.5° | 0.0° |
C26 | O27 | C28 | H281 | 180.0° | 179.9° |
C26 | O27 | C28 | H282 | 60.0° | 60.0° |
C26 | O27 | C28 | H283 | 60.0° | 60.0° |
O27 | C26 | C25 | H251 | 1.0° | 0.0° |
C12 | C13 | C14 | H131 | 180.0° | 179.7° |
C12 | C13 | C14 | C15 | 179.9° | 179.7° |
C13 | C14 | C15 | C20 | 178.0° | 59.7° |
C13 | C14 | C15 | C16 | 40.9° | 60.0° |
C13 | C14 | C15 | H1 | 67.6° | 179.9° |
C13 | C14 | C21 | H211 | 179.9° | 180.0° |
C14 | C13 | C12 | H121 | 178.9° | 179.7° |
C14 | C15 | C20 | C16 | 141.1° | 119.9° |
C14 | C15 | C20 | H1 | 109.8° | 120.2° |
C14 | C15 | C20 | C19 | 178.5° | 177.6° |
C14 | C15 | C16 | H1 | 108.6° | 120.1° |
C14 | C15 | C16 | C17 | 176.8° | 177.6° |
C15 | C14 | C13 | H131 | 0.1° | 0.0° |
C14 | C15 | C20 | H202 | 58.0° | 62.5° |
C14 | C15 | C20 | H201 | 61.0° | 57.7° |
C15 | C14 | C21 | H211 | 0.7° | 0.0° |
C14 | C15 | C16 | H161 | 62.1° | 57.7° |
C14 | C15 | C16 | H2 | 55.7° | 62.4° |
C15 | C20 | C19 | H202 | 120.5° | 119.9° |
C15 | C20 | C19 | H201 | 120.6° | 119.9° |
C20 | C15 | C16 | H1 | 109.8° | 119.9° |
C15 | C20 | C19 | N18 | 4.4° | 59.2° |
C20 | C15 | C16 | C17 | 41.6° | 57.6° |
C15 | C20 | H202 | H201 | 118.3° | 120.1° |
C20 | C15 | C16 | H161 | 79.5° | 62.2° |
C20 | C15 | C16 | H2 | 162.8° | 177.6° |
C15 | C20 | C19 | H192 | 125.1° | 60.9° |
C15 | C20 | C19 | H191 | 116.3° | 179.2° |
C19 | C20 | C15 | C16 | 40.4° | 57.6° |
C20 | C19 | N18 | H192 | 120.7° | 120.0° |
C20 | C19 | N18 | H191 | 120.7° | 120.0° |
C20 | C19 | N18 | C17 | 48.8° | 61.8° |
C19 | C20 | C15 | H1 | 68.7° | 62.2° |
C19 | C20 | H202 | H201 | 118.3° | 120.1° |
C20 | C19 | H192 | H191 | 117.8° | 119.9° |
C20 | C19 | N18 | H3 | 72.1° | 174.1° |
O27 | C28 | H281 | H282 | 120.0° | 120.0° |
O27 | C28 | H281 | H283 | 120.0° | 120.0° |
O27 | C28 | H282 | H283 | 120.0° | 120.0° |
C15 | C16 | C17 | N18 | 1.3° | 59.1° |
C15 | C16 | C17 | H161 | 121.1° | 119.9° |
C15 | C16 | C17 | H2 | 121.1° | 120.0° |
C15 | C16 | C17 | H171 | 121.6° | 179.2° |
C15 | C16 | C17 | H172 | 118.9° | 60.8° |
C16 | C15 | C20 | H202 | 160.9° | 177.6° |
C16 | C15 | C20 | H201 | 80.1° | 62.2° |
C15 | C16 | H161 | H2 | 116.4° | 120.1° |
C19 | N18 | C17 | H3 | 120.9° | 124.1° |
C19 | N18 | C17 | C16 | 47.9° | 61.7° |
C19 | N18 | C17 | H171 | 168.1° | 178.2° |
C19 | N18 | C17 | H172 | 72.4° | 58.2° |
N18 | C19 | C20 | H202 | 116.1° | 179.1° |
N18 | C19 | C20 | H201 | 125.0° | 60.7° |
N18 | C19 | H192 | H191 | 117.7° | 120.0° |
N18 | C17 | C16 | H171 | 120.3° | 120.1° |
N18 | C17 | C16 | H172 | 120.3° | 120.0° |
N18 | C17 | H171 | H172 | 119.2° | 120.0° |
N18 | C17 | C16 | H161 | 122.5° | 60.8° |
N18 | C17 | C16 | H2 | 119.8° | 179.1° |
C17 | N18 | C19 | H192 | 169.6° | 58.3° |
C17 | N18 | C19 | H191 | 71.9° | 178.3° |
C17 | C16 | C15 | H1 | 68.2° | 62.3° |
C16 | C17 | H171 | H172 | 119.2° | 119.9° |
C17 | C16 | H161 | H2 | 116.4° | 120.1° |
C16 | C17 | N18 | H3 | 73.0° | 174.2° |
H131 | C13 | C12 | H121 | 1.2° | 0.1° |
H1 | C15 | C20 | H202 | 51.9° | 57.7° |
H1 | C15 | C20 | H201 | 170.8° | 177.9° |
H1 | C15 | C16 | H161 | 170.7° | 177.8° |
H1 | C15 | C16 | H2 | 52.9° | 57.7° |
H171 | C17 | C16 | H161 | 117.3° | 59.3° |
H171 | C17 | C16 | H2 | 0.5° | 60.8° |
H171 | C17 | N18 | H3 | 47.2° | 54.1° |
H172 | C17 | C16 | H161 | 2.2° | 179.2° |
H172 | C17 | C16 | H2 | 119.9° | 59.1° |
H172 | C17 | N18 | H3 | 166.7° | 65.9° |
H202 | C20 | C19 | H192 | 4.6° | 59.1° |
H202 | C20 | C19 | H191 | 123.2° | 60.9° |
H201 | C20 | C19 | H192 | 114.3° | 179.3° |
H201 | C20 | C19 | H191 | 4.3° | 59.3° |
H211 | C21 | C22 | H221 | 0.1° | 0.1° |
H243 | C24 | H242 | H241 | 120.0° | 120.0° |
H281 | C28 | H282 | H283 | 120.0° | 120.0° |
H011 | C01 | H013 | H012 | 120.0° | 120.0° |
H192 | C19 | N18 | H3 | 48.7° | 65.9° |
H191 | C19 | N18 | H3 | 167.2° | 54.2° |
H312 | C31 | H313 | H311 | 120.0° | 120.1° |