9TK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C84 | N82 | sing | 1.33Å | 1.38Å | Aromatic |
C84 | C83 | doub | 1.36Å | 1.37Å | Aromatic |
N82 | C82 | doub | 1.32Å | 1.33Å | Aromatic |
C83 | N81 | sing | 1.35Å | 1.37Å | Aromatic |
C82 | N81 | sing | 1.37Å | 1.40Å | Aromatic |
C82 | C81 | sing | 1.47Å | 1.51Å | |
N81 | C88 | sing | 1.46Å | 1.47Å | |
C81 | O81 | doub | 1.22Å | 1.23Å | |
C83 | H84 | sing | 1.08Å | 1.08Å | |
C88 | H883 | sing | 1.09Å | 1.10Å | |
C88 | H882 | sing | 1.09Å | 1.10Å | |
C88 | H881 | sing | 1.09Å | 1.10Å | |
C84 | H83 | sing | 1.08Å | 1.08Å | |
C81 | O1 | sing | 1.35Å | 1.87Å | |
O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N82 | C84 | C83 | 111.0° | 108.4° |
C84 | N82 | C82 | 105.0° | 109.1° |
N82 | C84 | H83 | 124.5° | 125.8° |
C84 | C83 | N81 | 106.6° | 107.2° |
C84 | C83 | H84 | 126.7° | 126.4° |
C83 | C84 | H83 | 124.5° | 125.9° |
N82 | C82 | N81 | 111.3° | 108.2° |
N82 | C82 | C81 | 127.1° | 125.9° |
C83 | N81 | C82 | 106.0° | 107.1° |
C83 | N81 | C88 | 123.7° | 126.5° |
N81 | C83 | H84 | 126.7° | 126.4° |
N81 | C82 | C81 | 121.5° | 125.9° |
C82 | N81 | C88 | 130.3° | 126.4° |
C82 | C81 | O81 | 124.0° | 120.0° |
C82 | C81 | O1 | 135.8° | 120.0° |
N81 | C88 | H883 | 109.5° | 109.5° |
N81 | C88 | H882 | 109.5° | 109.5° |
N81 | C88 | H881 | 109.4° | 109.5° |
O81 | C81 | O1 | 100.2° | 120.0° |
H883 | C88 | H882 | 109.5° | 109.5° |
H883 | C88 | H881 | 109.5° | 109.4° |
H882 | C88 | H881 | 109.5° | 109.5° |
C81 | O1 | H1 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N82 | C84 | C83 | H83 | 180.0° | 179.5° |
N82 | C84 | C83 | N81 | 1.3° | 0.5° |
C84 | N82 | C82 | N81 | 2.0° | 0.3° |
C84 | N82 | C82 | C81 | 176.2° | 179.7° |
N82 | C84 | C83 | H84 | 178.7° | 179.8° |
C83 | C84 | N82 | C82 | 0.4° | 0.5° |
C84 | C83 | N81 | H84 | 180.0° | 179.7° |
C84 | C83 | N81 | C82 | 2.4° | 0.3° |
C84 | C83 | N81 | C88 | 177.0° | 179.7° |
N82 | C82 | N81 | C83 | 2.8° | 0.0° |
N82 | C82 | N81 | C81 | 178.2° | 180.0° |
N82 | C82 | N81 | C88 | 176.6° | 180.0° |
N82 | C82 | C81 | O81 | 179.5° | 180.0° |
C82 | N82 | C84 | H83 | 179.6° | 180.0° |
N82 | C82 | C81 | O1 | 0.9° | 0.3° |
C83 | N81 | C82 | C88 | 179.4° | 180.0° |
C83 | N81 | C82 | C81 | 175.5° | 180.0° |
C83 | N81 | C88 | H883 | 180.0° | 90.0° |
C83 | N81 | C88 | H882 | 60.0° | 150.0° |
C83 | N81 | C88 | H881 | 60.0° | 30.0° |
N81 | C83 | C84 | H83 | 178.7° | 180.0° |
N81 | C82 | C81 | O81 | 2.6° | 0.0° |
C82 | N81 | C83 | H84 | 177.6° | 180.0° |
C82 | N81 | C88 | H883 | 0.8° | 90.1° |
C82 | N81 | C88 | H882 | 120.7° | 29.9° |
C82 | N81 | C88 | H881 | 119.3° | 150.0° |
N81 | C82 | C81 | O1 | 177.1° | 179.7° |
C81 | C82 | N81 | C88 | 5.2° | 0.0° |
C82 | C81 | O81 | O1 | 179.8° | 179.7° |
C82 | C81 | O1 | H1 | 179.7° | 179.8° |
C88 | N81 | C83 | H84 | 2.9° | 0.1° |
N81 | C88 | H883 | H882 | 120.0° | 120.0° |
N81 | C88 | H883 | H881 | 120.0° | 120.0° |
N81 | C88 | H882 | H881 | 120.0° | 120.0° |
O81 | C81 | O1 | H1 | 0.0° | 0.1° |
H84 | C83 | C84 | H83 | 1.3° | 0.4° |
H883 | C88 | H882 | H881 | 120.0° | 120.0° |