EZB
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | N09 | sing | 1.36Å | 1.42Å | |
C10 | N11 | doub | 1.30Å | 1.44Å | |
N09 | C08 | sing | 1.35Å | 1.40Å | |
N11 | C06 | sing | 1.36Å | 1.45Å | |
C08 | O12 | doub | 1.22Å | 1.21Å | |
C08 | C07 | sing | 1.47Å | 1.52Å | |
C06 | C07 | doub | 1.41Å | 1.37Å | Aromatic |
C06 | C05 | sing | 1.40Å | 1.42Å | Aromatic |
C07 | C02 | sing | 1.39Å | 1.44Å | Aromatic |
C05 | C04 | doub | 1.36Å | 1.38Å | Aromatic |
C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
C15 | C16 | sing | 1.36Å | 1.39Å | Aromatic |
C02 | C01 | sing | 1.51Å | 1.51Å | |
C02 | C03 | doub | 1.39Å | 1.41Å | Aromatic |
C04 | C03 | sing | 1.40Å | 1.39Å | Aromatic |
C03 | C13 | sing | 1.48Å | 1.40Å | |
C13 | C18 | doub | 1.41Å | 1.44Å | Aromatic |
C16 | C17 | doub | 1.41Å | 1.42Å | Aromatic |
C18 | C17 | sing | 1.42Å | 1.37Å | Aromatic |
C18 | C19 | sing | 1.40Å | 1.43Å | Aromatic |
C17 | N22 | sing | 1.34Å | 1.38Å | Aromatic |
C19 | C20 | doub | 1.37Å | 1.40Å | Aromatic |
N22 | C21 | doub | 1.31Å | 1.34Å | Aromatic |
C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
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 | |
C05 | H051 | sing | 1.08Å | 1.08Å | |
C10 | H101 | sing | 1.08Å | 1.08Å | |
C14 | H141 | sing | 1.08Å | 1.08Å | |
C15 | H151 | sing | 1.08Å | 1.08Å | |
C16 | H161 | sing | 1.08Å | 1.08Å | |
C19 | H191 | sing | 1.08Å | 1.08Å | |
C20 | H201 | sing | 1.08Å | 1.08Å | |
C21 | H211 | sing | 1.08Å | 1.08Å | |
N09 | H091 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N09 | C10 | N11 | 119.8° | 123.4° |
C10 | N09 | C08 | 120.5° | 120.6° |
N09 | C10 | H101 | 120.1° | 118.3° |
C10 | N09 | H091 | 119.7° | 119.6° |
C10 | N11 | C06 | 120.0° | 121.7° |
N11 | C10 | H101 | 120.1° | 118.3° |
N09 | C08 | O12 | 117.1° | 121.3° |
N09 | C08 | C07 | 120.3° | 117.4° |
C08 | N09 | H091 | 119.8° | 119.8° |
N11 | C06 | C07 | 121.4° | 118.9° |
N11 | C06 | C05 | 117.9° | 121.5° |
O12 | C08 | C07 | 122.6° | 121.3° |
C08 | C07 | C06 | 118.0° | 118.0° |
C08 | C07 | C02 | 122.9° | 121.9° |
C07 | C06 | C05 | 120.7° | 119.5° |
C06 | C07 | C02 | 119.1° | 120.1° |
C06 | C05 | C04 | 120.0° | 120.0° |
C06 | C05 | H051 | 120.0° | 120.0° |
C07 | C02 | C01 | 120.0° | 120.3° |
C07 | C02 | C03 | 119.8° | 119.3° |
C05 | C04 | C03 | 120.7° | 120.9° |
C05 | C04 | H041 | 119.6° | 119.5° |
C04 | C05 | H051 | 120.0° | 120.0° |
C15 | C14 | C13 | 120.8° | 120.5° |
C14 | C15 | C16 | 119.7° | 121.2° |
C15 | C14 | H141 | 119.6° | 119.7° |
C14 | C15 | H151 | 120.1° | 119.4° |
C14 | C13 | C03 | 115.1° | 120.3° |
C14 | C13 | C18 | 119.5° | 119.3° |
C13 | C14 | H141 | 119.6° | 119.7° |
C15 | C16 | C17 | 120.2° | 120.1° |
C16 | C15 | H151 | 120.1° | 119.4° |
C15 | C16 | H161 | 119.9° | 120.0° |
C01 | C02 | C03 | 120.2° | 120.4° |
C02 | C01 | H011 | 109.5° | 109.4° |
C02 | C01 | H013 | 109.4° | 109.5° |
C02 | C01 | H012 | 109.5° | 109.4° |
C02 | C03 | C04 | 119.7° | 120.2° |
C02 | C03 | C13 | 125.5° | 119.9° |
C04 | C03 | C13 | 114.8° | 119.9° |
C03 | C04 | H041 | 119.7° | 119.6° |
C03 | C13 | C18 | 125.4° | 120.4° |
C13 | C18 | C17 | 119.3° | 119.5° |
C13 | C18 | C19 | 123.2° | 121.4° |
C16 | C17 | C18 | 120.5° | 119.3° |
C16 | C17 | N22 | 117.9° | 120.9° |
C17 | C16 | H161 | 119.9° | 119.9° |
C17 | C18 | C19 | 117.5° | 119.1° |
C18 | C17 | N22 | 121.6° | 119.8° |
C18 | C19 | C20 | 119.6° | 118.2° |
C18 | C19 | H191 | 120.2° | 120.9° |
C17 | N22 | C21 | 121.7° | 121.3° |
C19 | C20 | C21 | 120.3° | 119.9° |
C20 | C19 | H191 | 120.2° | 121.0° |
C19 | C20 | H201 | 119.8° | 120.1° |
N22 | C21 | C20 | 119.3° | 121.7° |
N22 | C21 | H211 | 120.4° | 119.1° |
C21 | C20 | H201 | 119.9° | 120.0° |
C20 | C21 | H211 | 120.4° | 119.1° |
H011 | C01 | H013 | 109.5° | 109.5° |
H011 | C01 | H012 | 109.4° | 109.4° |
H013 | C01 | H012 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N09 | C10 | N11 | H101 | 180.0° | 179.3° |
C10 | N09 | C08 | H091 | 180.0° | 179.4° |
N09 | C10 | N11 | C06 | 0.1° | 1.2° |
C10 | N09 | C08 | O12 | 179.9° | 180.0° |
C10 | N09 | C08 | C07 | 0.0° | 0.1° |
N11 | C10 | N09 | C08 | 0.0° | 0.7° |
C10 | N11 | C06 | C07 | 0.1° | 1.2° |
C10 | N11 | C06 | C05 | 180.0° | 179.4° |
N11 | C10 | N09 | H091 | 180.0° | 179.9° |
N09 | C08 | O12 | C07 | 179.9° | 179.9° |
N09 | C08 | C07 | C06 | 0.1° | 0.0° |
N09 | C08 | C07 | C02 | 179.9° | 179.5° |
C08 | N09 | C10 | H101 | 180.0° | 180.0° |
N11 | C06 | C07 | C08 | 0.2° | 0.5° |
N11 | C06 | C07 | C05 | 179.9° | 179.5° |
N11 | C06 | C07 | C02 | 180.0° | 180.0° |
N11 | C06 | C05 | C04 | 180.0° | 179.6° |
N11 | C06 | C05 | H051 | 0.0° | 0.3° |
C06 | N11 | C10 | H101 | 179.9° | 179.4° |
O12 | C08 | C07 | C06 | 180.0° | 179.9° |
O12 | C08 | C07 | C02 | 0.2° | 0.6° |
O12 | C08 | N09 | H091 | 0.0° | 0.6° |
C08 | C07 | C06 | C02 | 179.8° | 179.5° |
C08 | C07 | C06 | C05 | 180.0° | 180.0° |
C08 | C07 | C02 | C01 | 0.0° | 0.3° |
C08 | C07 | C02 | C03 | 179.3° | 180.0° |
C07 | C08 | N09 | H091 | 179.9° | 179.5° |
C07 | C06 | C05 | C04 | 0.1° | 0.2° |
C06 | C07 | C02 | C01 | 179.8° | 179.8° |
C06 | C07 | C02 | C03 | 0.9° | 0.5° |
C07 | C06 | C05 | H051 | 179.9° | 179.8° |
C05 | C06 | C07 | C02 | 0.1° | 0.5° |
C06 | C05 | C04 | H051 | 180.0° | 180.0° |
C06 | C05 | C04 | C03 | 0.9° | 0.0° |
C06 | C05 | C04 | H041 | 179.2° | 180.0° |
C07 | C02 | C01 | C03 | 179.3° | 179.7° |
C07 | C02 | C03 | C04 | 1.7° | 0.3° |
C07 | C02 | C03 | C13 | 178.5° | 179.7° |
C07 | C02 | C01 | H011 | 89.7° | 83.7° |
C07 | C02 | C01 | H013 | 150.3° | 36.3° |
C07 | C02 | C01 | H012 | 30.3° | 156.3° |
C05 | C04 | C03 | C02 | 1.7° | 0.0° |
C05 | C04 | C03 | H041 | 180.0° | 180.0° |
C05 | C04 | C03 | C13 | 178.8° | 180.0° |
C15 | C14 | C13 | H141 | 180.0° | 179.8° |
C14 | C15 | C16 | H151 | 180.0° | 180.0° |
C15 | C14 | C13 | C03 | 179.7° | 180.0° |
C15 | C14 | C13 | C18 | 0.8° | 0.4° |
C14 | C15 | C16 | C17 | 0.2° | 0.0° |
C14 | C15 | C16 | H161 | 179.8° | 180.0° |
C13 | C14 | C15 | C16 | 0.5° | 0.1° |
C14 | C13 | C03 | C02 | 119.8° | 114.7° |
C14 | C13 | C03 | C04 | 57.1° | 65.3° |
C14 | C13 | C03 | C18 | 178.8° | 179.7° |
C14 | C13 | C18 | C17 | 0.8° | 0.6° |
C14 | C13 | C18 | C19 | 179.7° | 179.7° |
C13 | C14 | C15 | H151 | 179.6° | 179.9° |
C15 | C16 | C17 | H161 | 180.0° | 180.0° |
C15 | C16 | C17 | C18 | 0.2° | 0.2° |
C15 | C16 | C17 | N22 | 179.9° | 180.0° |
C16 | C15 | C14 | H141 | 179.5° | 179.9° |
C01 | C02 | C03 | C04 | 179.0° | 180.0° |
C01 | C02 | C03 | C13 | 2.3° | 0.0° |
C02 | C01 | H011 | H013 | 120.0° | 120.0° |
C02 | C01 | H011 | H012 | 120.0° | 119.9° |
C02 | C01 | H013 | H012 | 120.0° | 120.0° |
C02 | C03 | C04 | C13 | 177.1° | 180.0° |
C02 | C03 | C13 | C18 | 61.4° | 65.0° |
C03 | C02 | C01 | H011 | 89.6° | 96.6° |
C03 | C02 | C01 | H013 | 30.4° | 143.4° |
C03 | C02 | C01 | H012 | 150.4° | 23.4° |
C02 | C03 | C04 | H041 | 178.4° | 180.0° |
C04 | C03 | C13 | C18 | 121.7° | 115.1° |
C03 | C04 | C05 | H051 | 179.1° | 180.0° |
C03 | C13 | C18 | C17 | 179.6° | 179.7° |
C03 | C13 | C18 | C19 | 0.9° | 0.1° |
C13 | C03 | C04 | H041 | 1.3° | 0.0° |
C03 | C13 | C14 | H141 | 0.3° | 0.1° |
C13 | C18 | C17 | C16 | 0.5° | 0.5° |
C13 | C18 | C17 | C19 | 179.6° | 179.7° |
C13 | C18 | C17 | N22 | 179.7° | 179.7° |
C13 | C18 | C19 | C20 | 179.5° | 180.0° |
C18 | C13 | C14 | H141 | 179.3° | 179.8° |
C13 | C18 | C19 | H191 | 0.5° | 0.1° |
C16 | C17 | C18 | N22 | 179.8° | 179.8° |
C16 | C17 | C18 | C19 | 179.9° | 179.8° |
C16 | C17 | N22 | C21 | 180.0° | 179.2° |
C17 | C16 | C15 | H151 | 179.8° | 180.0° |
C17 | C18 | C19 | C20 | 0.1° | 0.3° |
C18 | C17 | N22 | C21 | 0.2° | 0.6° |
C18 | C17 | C16 | H161 | 179.8° | 179.8° |
C17 | C18 | C19 | H191 | 179.9° | 179.8° |
C19 | C18 | C17 | N22 | 0.1° | 0.0° |
C18 | C19 | C20 | H191 | 180.0° | 179.9° |
C18 | C19 | C20 | C21 | 0.1° | 0.0° |
C18 | C19 | C20 | H201 | 179.9° | 180.0° |
C17 | N22 | C21 | C20 | 0.1° | 0.9° |
N22 | C17 | C16 | H161 | 0.0° | 0.0° |
C17 | N22 | C21 | H211 | 179.9° | 179.7° |
C19 | C20 | C21 | N22 | 0.0° | 0.5° |
C19 | C20 | C21 | H201 | 180.0° | 180.0° |
C19 | C20 | C21 | H211 | 180.0° | 180.0° |
N22 | C21 | C20 | H211 | 180.0° | 179.4° |
N22 | C21 | C20 | H201 | 180.0° | 179.4° |
C21 | C20 | C19 | H191 | 179.9° | 180.0° |
H011 | C01 | H013 | H012 | 120.0° | 120.0° |
H041 | C04 | C05 | H051 | 0.9° | 0.0° |
H101 | C10 | N09 | H091 | 0.0° | 0.6° |
H141 | C14 | C15 | H151 | 0.4° | 0.1° |
H151 | C15 | C16 | H161 | 0.1° | 0.0° |
H191 | C19 | C20 | H201 | 0.1° | 0.0° |
H201 | C20 | C21 | H211 | 0.0° | 0.0° |