ZG0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
C01 | C02 | sing | 1.51Å | 1.53Å | |
C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
C02 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
C05 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
C12 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
C06 | N07 | sing | 1.40Å | 1.46Å | |
O09 | C08 | doub | 1.21Å | 1.19Å | |
N07 | C08 | sing | 1.35Å | 1.46Å | |
C08 | C10 | sing | 1.51Å | 1.54Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C10 | H3 | sing | 1.09Å | 1.10Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C03 | H7 | sing | 1.08Å | 1.08Å | |
C04 | H8 | sing | 1.08Å | 1.08Å | |
C05 | H9 | sing | 1.08Å | 1.08Å | |
N07 | H10 | sing | 0.97Å | 1.00Å | |
C12 | H11 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C04 | C03 | C02 | 120.3° | 120.2° |
C03 | C04 | C05 | 120.2° | 120.1° |
C04 | C03 | H7 | 119.9° | 119.9° |
C03 | C04 | H8 | 119.9° | 120.0° |
C03 | C02 | C01 | 120.2° | 120.0° |
C03 | C02 | C12 | 119.2° | 120.1° |
C02 | C03 | H7 | 119.8° | 119.9° |
C01 | C02 | C12 | 120.6° | 119.9° |
C02 | C01 | H4 | 109.5° | 109.5° |
C02 | C01 | H5 | 109.4° | 109.5° |
C02 | C01 | H6 | 109.5° | 109.5° |
C04 | C05 | C06 | 120.0° | 119.9° |
C05 | C04 | H8 | 119.9° | 120.0° |
C04 | C05 | H9 | 120.0° | 120.0° |
C02 | C12 | C06 | 120.6° | 119.9° |
C02 | C12 | H11 | 119.7° | 120.1° |
C05 | C06 | C12 | 119.7° | 119.9° |
C05 | C06 | N07 | 117.7° | 120.1° |
C06 | C05 | H9 | 120.0° | 120.0° |
C12 | C06 | N07 | 122.6° | 120.0° |
C06 | C12 | H11 | 119.7° | 120.0° |
C06 | N07 | C08 | 125.0° | 120.0° |
C06 | N07 | H10 | 117.5° | 120.0° |
O09 | C08 | N07 | 121.4° | 120.0° |
O09 | C08 | C10 | 120.2° | 120.0° |
N07 | C08 | C10 | 118.4° | 120.0° |
C08 | N07 | H10 | 117.5° | 120.0° |
C08 | C10 | H1 | 109.5° | 109.4° |
C08 | C10 | H2 | 109.5° | 109.4° |
C08 | C10 | H3 | 109.5° | 109.5° |
H1 | C10 | H2 | 109.4° | 109.5° |
H1 | C10 | H3 | 109.5° | 109.5° |
H2 | C10 | H3 | 109.5° | 109.5° |
H4 | C01 | H5 | 109.5° | 109.4° |
H4 | C01 | H6 | 109.4° | 109.5° |
H5 | C01 | H6 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C04 | C03 | C02 | H7 | 180.0° | 180.0° |
C04 | C03 | C02 | C01 | 178.9° | 180.0° |
C03 | C04 | C05 | H8 | 180.0° | 180.0° |
C04 | C03 | C02 | C12 | 0.2° | 0.2° |
C03 | C04 | C05 | C06 | 0.8° | 0.0° |
C03 | C04 | C05 | H9 | 179.2° | 180.0° |
C03 | C02 | C01 | C12 | 178.6° | 179.7° |
C02 | C03 | C04 | C05 | 0.1° | 0.0° |
C03 | C02 | C12 | C06 | 1.5° | 0.5° |
C03 | C02 | C01 | H4 | 90.7° | 89.7° |
C03 | C02 | C01 | H5 | 149.3° | 30.3° |
C03 | C02 | C01 | H6 | 29.3° | 150.3° |
C02 | C03 | C04 | H8 | 179.9° | 180.0° |
C03 | C02 | C12 | H11 | 178.5° | 179.8° |
C01 | C02 | C12 | C06 | 179.9° | 179.8° |
C02 | C01 | H4 | H5 | 120.0° | 120.0° |
C02 | C01 | H4 | H6 | 120.0° | 120.0° |
C02 | C01 | H5 | H6 | 120.0° | 120.0° |
C01 | C02 | C03 | H7 | 1.2° | 0.0° |
C01 | C02 | C12 | H11 | 0.1° | 0.1° |
C04 | C05 | C06 | H9 | 180.0° | 180.0° |
C04 | C05 | C06 | C12 | 2.1° | 0.3° |
C04 | C05 | C06 | N07 | 180.0° | 180.0° |
C05 | C04 | C03 | H7 | 179.9° | 180.0° |
C02 | C12 | C06 | C05 | 2.4° | 0.6° |
C02 | C12 | C06 | H11 | 180.0° | 179.7° |
C02 | C12 | C06 | N07 | 179.7° | 179.8° |
C12 | C02 | C01 | H4 | 90.7° | 90.0° |
C12 | C02 | C01 | H5 | 29.3° | 150.0° |
C12 | C02 | C01 | H6 | 149.3° | 30.0° |
C12 | C02 | C03 | H7 | 179.8° | 179.7° |
C05 | C06 | C12 | N07 | 177.8° | 179.7° |
C05 | C06 | N07 | C08 | 158.7° | 33.3° |
C06 | C05 | C04 | H8 | 179.1° | 180.0° |
C05 | C06 | N07 | H10 | 21.3° | 146.8° |
C05 | C06 | C12 | H11 | 177.6° | 179.8° |
C12 | C06 | N07 | C08 | 23.4° | 146.4° |
C12 | C06 | C05 | H9 | 177.9° | 179.7° |
C12 | C06 | N07 | H10 | 156.6° | 33.5° |
C06 | N07 | C08 | O09 | 0.5° | 5.3° |
C06 | N07 | C08 | H10 | 180.0° | 179.9° |
C06 | N07 | C08 | C10 | 179.8° | 174.7° |
N07 | C06 | C05 | H9 | 0.0° | 0.0° |
N07 | C06 | C12 | H11 | 0.3° | 0.1° |
O09 | C08 | N07 | C10 | 179.3° | 180.0° |
O09 | C08 | C10 | H1 | 0.0° | 180.0° |
O09 | C08 | C10 | H2 | 120.0° | 60.0° |
O09 | C08 | C10 | H3 | 120.0° | 60.0° |
O09 | C08 | N07 | H10 | 179.5° | 174.7° |
N07 | C08 | C10 | H1 | 179.3° | 0.0° |
N07 | C08 | C10 | H2 | 59.3° | 120.0° |
N07 | C08 | C10 | H3 | 60.7° | 120.0° |
C08 | C10 | H1 | H2 | 120.0° | 119.9° |
C08 | C10 | H1 | H3 | 120.0° | 120.0° |
C08 | C10 | H2 | H3 | 120.0° | 120.0° |
C10 | C08 | N07 | H10 | 0.2° | 5.3° |
H1 | C10 | H2 | H3 | 120.0° | 120.1° |
H4 | C01 | H5 | H6 | 120.0° | 120.0° |
H7 | C03 | C04 | H8 | 0.1° | 0.0° |
H8 | C04 | C05 | H9 | 0.9° | 0.0° |