TEZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N13 | S12 | sing | 1.56Å | 1.69Å | Aromatic |
N13 | C08 | doub | 1.32Å | 1.37Å | Aromatic |
S12 | N11 | sing | 1.55Å | 1.69Å | Aromatic |
C07 | C08 | sing | 1.42Å | 1.43Å | Aromatic |
C07 | C06 | doub | 1.35Å | 1.40Å | Aromatic |
C08 | C09 | sing | 1.46Å | 1.37Å | Aromatic |
C06 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
C09 | N11 | doub | 1.32Å | 1.36Å | Aromatic |
C09 | C10 | sing | 1.42Å | 1.43Å | Aromatic |
C05 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
C05 | N04 | sing | 1.40Å | 1.46Å | |
N04 | C02 | sing | 1.35Å | 1.46Å | |
C02 | O03 | doub | 1.21Å | 1.19Å | |
C02 | C01 | sing | 1.51Å | 1.53Å | |
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 | |
C06 | H5 | sing | 1.08Å | 1.08Å | |
C07 | H6 | sing | 1.08Å | 1.08Å | |
N04 | H7 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
S12 | N13 | C08 | 103.9° | 109.5° |
N13 | S12 | N11 | 98.8° | 100.2° |
N13 | C08 | C07 | 123.0° | 130.9° |
N13 | C08 | C09 | 117.1° | 110.4° |
S12 | N11 | C09 | 105.2° | 109.4° |
C08 | C07 | C06 | 119.8° | 120.0° |
C07 | C08 | C09 | 120.0° | 118.6° |
C08 | C07 | H6 | 120.1° | 120.0° |
C07 | C06 | C05 | 120.5° | 121.5° |
C07 | C06 | H5 | 119.7° | 119.3° |
C06 | C07 | H6 | 120.1° | 120.0° |
C08 | C09 | N11 | 115.1° | 110.5° |
C08 | C09 | C10 | 120.0° | 118.6° |
C06 | C05 | C10 | 119.3° | 121.5° |
C06 | C05 | N04 | 119.7° | 119.3° |
C05 | C06 | H5 | 119.8° | 119.3° |
N11 | C09 | C10 | 124.9° | 130.9° |
C09 | C10 | C05 | 120.5° | 119.8° |
C09 | C10 | H1 | 119.8° | 120.0° |
C10 | C05 | N04 | 121.0° | 119.3° |
C05 | C10 | H1 | 119.7° | 120.1° |
C05 | N04 | C02 | 125.8° | 120.0° |
C05 | N04 | H7 | 117.0° | 120.0° |
N04 | C02 | O03 | 122.2° | 120.0° |
N04 | C02 | C01 | 119.1° | 120.0° |
C02 | N04 | H7 | 117.1° | 120.0° |
O03 | C02 | C01 | 118.7° | 120.0° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.5° | 109.4° |
C02 | C01 | H4 | 109.4° | 109.5° |
H2 | C01 | H3 | 109.4° | 109.4° |
H2 | C01 | H4 | 109.5° | 109.5° |
H3 | C01 | H4 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
S12 | N13 | C08 | C07 | 179.7° | 179.9° |
S12 | N13 | C08 | C09 | 0.3° | 0.2° |
N13 | S12 | N11 | C09 | 0.1° | 0.1° |
C08 | N13 | S12 | N11 | 0.1° | 0.2° |
N13 | C08 | C07 | C09 | 179.4° | 179.8° |
N13 | C08 | C07 | C06 | 179.6° | 179.9° |
N13 | C08 | C09 | N11 | 0.4° | 0.2° |
N13 | C08 | C09 | C10 | 179.6° | 179.7° |
N13 | C08 | C07 | H6 | 0.4° | 0.2° |
S12 | N11 | C09 | C08 | 0.3° | 0.0° |
S12 | N11 | C09 | C10 | 179.7° | 179.4° |
C08 | C07 | C06 | H6 | 180.0° | 179.7° |
C08 | C07 | C06 | C05 | 0.2° | 0.0° |
C07 | C08 | C09 | N11 | 179.9° | 180.0° |
C07 | C08 | C09 | C10 | 0.1° | 0.5° |
C08 | C07 | C06 | H5 | 179.8° | 180.0° |
C06 | C07 | C08 | C09 | 0.2° | 0.2° |
C07 | C06 | C05 | H5 | 180.0° | 180.0° |
C07 | C06 | C05 | C10 | 0.6° | 0.0° |
C07 | C06 | C05 | N04 | 179.3° | 180.0° |
C08 | C09 | N11 | C10 | 180.0° | 179.4° |
C08 | C09 | C10 | C05 | 0.3° | 0.5° |
C08 | C09 | C10 | H1 | 179.7° | 179.7° |
C09 | C08 | C07 | H6 | 179.8° | 179.9° |
C06 | C05 | C10 | C09 | 0.7° | 0.3° |
C06 | C05 | C10 | N04 | 178.7° | 179.9° |
C06 | C05 | N04 | C02 | 142.0° | 34.2° |
C06 | C05 | C10 | H1 | 179.3° | 179.9° |
C05 | C06 | C07 | H6 | 179.8° | 179.7° |
C06 | C05 | N04 | H7 | 38.0° | 146.0° |
N11 | C09 | C10 | C05 | 179.7° | 179.9° |
N11 | C09 | C10 | H1 | 0.3° | 0.4° |
C09 | C10 | C05 | H1 | 180.0° | 179.7° |
C09 | C10 | C05 | N04 | 179.4° | 179.7° |
C10 | C05 | N04 | C02 | 39.3° | 145.9° |
C10 | C05 | C06 | H5 | 179.4° | 180.0° |
C10 | C05 | N04 | H7 | 140.7° | 34.0° |
C05 | N04 | C02 | H7 | 180.0° | 179.9° |
C05 | N04 | C02 | O03 | 0.4° | 5.2° |
C05 | N04 | C02 | C01 | 179.8° | 174.7° |
N04 | C05 | C10 | H1 | 0.6° | 0.0° |
N04 | C05 | C06 | H5 | 0.7° | 0.0° |
N04 | C02 | O03 | C01 | 179.8° | 179.9° |
N04 | C02 | C01 | H2 | 179.8° | 89.9° |
N04 | C02 | C01 | H3 | 60.2° | 30.0° |
N04 | C02 | C01 | H4 | 59.8° | 150.1° |
O03 | C02 | C01 | H2 | 0.0° | 90.0° |
O03 | C02 | C01 | H3 | 120.0° | 150.1° |
O03 | C02 | C01 | H4 | 120.0° | 30.1° |
O03 | C02 | N04 | H7 | 179.6° | 174.7° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H4 | 120.0° | 120.0° |
C02 | C01 | H3 | H4 | 120.0° | 120.0° |
C01 | C02 | N04 | H7 | 0.3° | 5.4° |
H2 | C01 | H3 | H4 | 120.0° | 120.0° |
H5 | C06 | C07 | H6 | 0.2° | 0.3° |