RZS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N09 | C08 | trip | 1.14Å | 1.14Å | |
C08 | C07 | sing | 1.43Å | 1.52Å | |
C07 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
C07 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
C06 | C05 | sing | 1.37Å | 1.39Å | Aromatic |
C10 | N11 | doub | 1.32Å | 1.33Å | Aromatic |
C05 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
N11 | C04 | sing | 1.33Å | 1.32Å | Aromatic |
C04 | N03 | sing | 1.39Å | 1.45Å | |
N03 | C02 | sing | 1.46Å | 1.45Å | |
C02 | C01 | sing | 1.53Å | 1.52Å | |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C02 | H5 | sing | 1.09Å | 1.10Å | |
C02 | H6 | sing | 1.09Å | 1.10Å | |
C05 | H7 | sing | 1.08Å | 1.08Å | |
C06 | H8 | sing | 1.08Å | 1.08Å | |
N03 | H9 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N09 | C08 | C07 | 179.2° | 179.9° |
C08 | C07 | C06 | 121.0° | 120.5° |
C08 | C07 | C10 | 120.5° | 120.4° |
C06 | C07 | C10 | 118.5° | 119.1° |
C07 | C06 | C05 | 118.5° | 118.4° |
C07 | C06 | H8 | 120.7° | 120.8° |
C07 | C10 | N11 | 121.5° | 120.5° |
C07 | C10 | H1 | 119.3° | 119.8° |
C06 | C05 | C04 | 119.6° | 119.4° |
C06 | C05 | H7 | 120.2° | 120.3° |
C05 | C06 | H8 | 120.7° | 120.8° |
C10 | N11 | C04 | 121.3° | 121.7° |
N11 | C10 | H1 | 119.2° | 119.7° |
C05 | C04 | N11 | 120.6° | 120.9° |
C05 | C04 | N03 | 122.0° | 119.6° |
C04 | C05 | H7 | 120.2° | 120.3° |
N11 | C04 | N03 | 117.4° | 119.5° |
C04 | N03 | C02 | 123.3° | 120.0° |
C04 | N03 | H9 | 105.9° | 120.0° |
N03 | C02 | C01 | 107.5° | 109.5° |
N03 | C02 | H5 | 109.9° | 109.5° |
N03 | C02 | H6 | 110.0° | 109.4° |
C02 | N03 | H9 | 105.9° | 120.0° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.5° | 109.5° |
C02 | C01 | H4 | 109.5° | 109.5° |
C01 | C02 | H5 | 110.0° | 109.5° |
C01 | C02 | H6 | 109.9° | 109.5° |
H2 | C01 | H3 | 109.4° | 109.4° |
H2 | C01 | H4 | 109.5° | 109.4° |
H3 | C01 | H4 | 109.5° | 109.5° |
H5 | C02 | H6 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N09 | C08 | C07 | C06 | 150.1° | 23.3° |
N09 | C08 | C07 | C10 | 30.6° | 156.6° |
C08 | C07 | C06 | C10 | 179.3° | 180.0° |
C08 | C07 | C06 | C05 | 179.3° | 179.4° |
C08 | C07 | C10 | N11 | 179.4° | 180.0° |
C08 | C07 | C10 | H1 | 0.6° | 0.4° |
C08 | C07 | C06 | H8 | 0.6° | 0.2° |
C07 | C06 | C05 | H8 | 180.0° | 179.2° |
C06 | C07 | C10 | N11 | 0.1° | 0.1° |
C07 | C06 | C05 | C04 | 0.1° | 0.9° |
C06 | C07 | C10 | H1 | 179.9° | 179.7° |
C07 | C06 | C05 | H7 | 179.9° | 179.8° |
C10 | C07 | C06 | C05 | 0.0° | 0.6° |
C07 | C10 | N11 | H1 | 180.0° | 179.6° |
C07 | C10 | N11 | C04 | 0.3° | 0.3° |
C10 | C07 | C06 | H8 | 180.0° | 179.7° |
C06 | C05 | C04 | H7 | 180.0° | 179.3° |
C06 | C05 | C04 | N11 | 0.3° | 0.6° |
C06 | C05 | C04 | N03 | 179.2° | 179.4° |
C10 | N11 | C04 | C05 | 0.4° | 0.0° |
C10 | N11 | C04 | N03 | 179.3° | 179.9° |
C05 | C04 | N11 | N03 | 179.0° | 180.0° |
C05 | C04 | N03 | C02 | 12.6° | 0.1° |
C04 | C05 | C06 | H8 | 179.9° | 179.9° |
C05 | C04 | N03 | H9 | 134.5° | 180.0° |
N11 | C04 | N03 | C02 | 168.5° | 179.9° |
C04 | N11 | C10 | H1 | 179.7° | 180.0° |
N11 | C04 | C05 | H7 | 179.7° | 180.0° |
N11 | C04 | N03 | H9 | 46.6° | 0.1° |
C04 | N03 | C02 | H9 | 121.9° | 179.9° |
C04 | N03 | C02 | C01 | 152.2° | 180.0° |
C04 | N03 | C02 | H5 | 88.1° | 60.0° |
C04 | N03 | C02 | H6 | 32.5° | 60.1° |
N03 | C04 | C05 | H7 | 0.8° | 0.1° |
N03 | C02 | C01 | H5 | 119.7° | 120.1° |
N03 | C02 | C01 | H6 | 119.7° | 119.9° |
N03 | C02 | C01 | H2 | 180.0° | 60.0° |
N03 | C02 | C01 | H3 | 60.0° | 59.9° |
N03 | C02 | C01 | H4 | 60.0° | 180.0° |
N03 | C02 | H5 | H6 | 120.9° | 120.0° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H4 | 120.0° | 120.1° |
C02 | C01 | H3 | H4 | 120.0° | 120.1° |
C01 | C02 | H5 | H6 | 120.9° | 120.0° |
C01 | C02 | N03 | H9 | 30.3° | 0.1° |
H2 | C01 | H3 | H4 | 120.0° | 119.9° |
H2 | C01 | C02 | H5 | 60.3° | 60.0° |
H2 | C01 | C02 | H6 | 60.3° | 180.0° |
H3 | C01 | C02 | H5 | 179.7° | 180.0° |
H3 | C01 | C02 | H6 | 59.7° | 60.0° |
H4 | C01 | C02 | H5 | 59.7° | 60.0° |
H4 | C01 | C02 | H6 | 179.7° | 60.0° |
H5 | C02 | N03 | H9 | 150.0° | 119.9° |
H6 | C02 | N03 | H9 | 89.4° | 120.0° |
H7 | C05 | C06 | H8 | 0.1° | 0.6° |