G7L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F02 | C09 | sing | 1.40Å | 1.37Å | |
C07 | C08 | doub | 1.34Å | 1.41Å | Aromatic |
C07 | S01 | sing | 1.76Å | 1.70Å | Aromatic |
C09 | F01 | sing | 1.40Å | 1.38Å | |
C09 | F03 | sing | 1.40Å | 1.37Å | |
C09 | C08 | sing | 1.51Å | 1.53Å | |
C08 | N02 | sing | 1.32Å | 1.36Å | Aromatic |
S01 | C06 | sing | 1.71Å | 1.67Å | Aromatic |
N02 | C06 | doub | 1.29Å | 1.32Å | Aromatic |
C06 | C05 | sing | 1.51Å | 1.50Å | |
C05 | N01 | sing | 1.46Å | 1.46Å | |
O01 | C03 | doub | 1.22Å | 1.21Å | |
N01 | C03 | sing | 1.35Å | 1.42Å | |
N01 | C04 | sing | 1.47Å | 1.45Å | |
C03 | C02 | sing | 1.47Å | 1.51Å | |
C02 | C01 | doub | 1.33Å | 1.52Å | |
C01 | H1 | sing | 1.08Å | 1.08Å | |
C01 | H2 | sing | 1.08Å | 1.08Å | |
C02 | H3 | sing | 1.08Å | 1.08Å | |
C04 | H4 | sing | 1.09Å | 1.10Å | |
C04 | H5 | sing | 1.09Å | 1.10Å | |
C04 | H6 | sing | 1.09Å | 1.10Å | |
C05 | H7 | sing | 1.09Å | 1.10Å | |
C05 | H8 | sing | 1.09Å | 1.10Å | |
C07 | H9 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F02 | C09 | F01 | 109.7° | 109.4° |
F02 | C09 | F03 | 109.8° | 109.5° |
F02 | C09 | C08 | 110.4° | 109.5° |
C08 | C07 | S01 | 104.8° | 107.9° |
C07 | C08 | C09 | 126.5° | 122.8° |
C07 | C08 | N02 | 114.7° | 114.5° |
C08 | C07 | H9 | 127.6° | 126.0° |
C07 | S01 | C06 | 96.3° | 90.3° |
S01 | C07 | H9 | 127.6° | 126.1° |
F01 | C09 | F03 | 109.8° | 109.5° |
F01 | C09 | C08 | 106.6° | 109.5° |
F03 | C09 | C08 | 110.4° | 109.5° |
C09 | C08 | N02 | 118.8° | 122.7° |
C08 | N02 | C06 | 114.9° | 117.1° |
S01 | C06 | N02 | 109.2° | 110.2° |
S01 | C06 | C05 | 124.5° | 124.9° |
N02 | C06 | C05 | 126.3° | 124.9° |
C06 | C05 | N01 | 110.3° | 109.5° |
C06 | C05 | H7 | 109.2° | 109.5° |
C06 | C05 | H8 | 109.3° | 109.4° |
C05 | N01 | C03 | 118.8° | 120.0° |
C05 | N01 | C04 | 118.9° | 120.0° |
N01 | C05 | H7 | 109.3° | 109.5° |
N01 | C05 | H8 | 109.3° | 109.5° |
O01 | C03 | N01 | 121.5° | 120.0° |
O01 | C03 | C02 | 122.5° | 120.0° |
C03 | N01 | C04 | 122.2° | 120.0° |
N01 | C03 | C02 | 115.9° | 120.0° |
N01 | C04 | H4 | 109.5° | 109.4° |
N01 | C04 | H5 | 109.4° | 109.5° |
N01 | C04 | H6 | 109.5° | 109.5° |
C03 | C02 | C01 | 111.3° | 120.0° |
C03 | C02 | H3 | 124.4° | 120.0° |
C02 | C01 | H1 | 120.0° | 120.0° |
C02 | C01 | H2 | 120.0° | 120.0° |
C01 | C02 | H3 | 124.3° | 120.0° |
H1 | C01 | H2 | 120.0° | 120.0° |
H4 | C04 | H5 | 109.5° | 109.5° |
H4 | C04 | H6 | 109.4° | 109.4° |
H5 | C04 | H6 | 109.5° | 109.5° |
H7 | C05 | H8 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F02 | C09 | C08 | C07 | 18.1° | 150.1° |
F02 | C09 | F01 | F03 | 120.8° | 119.9° |
F02 | C09 | F01 | C08 | 119.6° | 120.0° |
F02 | C09 | F03 | C08 | 122.0° | 120.0° |
F02 | C09 | C08 | N02 | 163.4° | 30.1° |
C08 | C07 | S01 | H9 | 180.0° | 179.9° |
C07 | C08 | C09 | F01 | 101.0° | 89.9° |
C07 | C08 | C09 | F03 | 139.8° | 30.1° |
C07 | C08 | C09 | N02 | 178.4° | 179.8° |
C08 | C07 | S01 | C06 | 0.6° | 0.2° |
C07 | C08 | N02 | C06 | 0.8° | 0.1° |
S01 | C07 | C08 | C09 | 178.5° | 180.0° |
S01 | C07 | C08 | N02 | 0.0° | 0.1° |
C07 | S01 | C06 | N02 | 1.0° | 0.3° |
C07 | S01 | C06 | C05 | 179.4° | 180.0° |
F01 | C09 | F03 | C08 | 117.3° | 120.0° |
F01 | C09 | C08 | N02 | 77.5° | 89.9° |
F03 | C09 | C08 | N02 | 41.7° | 150.1° |
C09 | C08 | N02 | C06 | 179.4° | 179.8° |
C09 | C08 | C07 | H9 | 1.5° | 0.2° |
C08 | N02 | C06 | S01 | 1.2° | 0.2° |
C08 | N02 | C06 | C05 | 179.2° | 180.0° |
N02 | C08 | C07 | H9 | 180.0° | 180.0° |
S01 | C06 | N02 | C05 | 179.6° | 179.7° |
S01 | C06 | C05 | N01 | 76.6° | 90.3° |
S01 | C06 | C05 | H7 | 43.5° | 29.7° |
S01 | C06 | C05 | H8 | 163.2° | 149.7° |
C06 | S01 | C07 | H9 | 179.4° | 179.9° |
N02 | C06 | C05 | N01 | 102.9° | 90.0° |
N02 | C06 | C05 | H7 | 137.0° | 150.0° |
N02 | C06 | C05 | H8 | 17.3° | 30.0° |
C06 | C05 | N01 | H7 | 120.1° | 120.0° |
C06 | C05 | N01 | H8 | 120.2° | 120.0° |
C06 | C05 | N01 | C03 | 94.8° | 90.1° |
C06 | C05 | N01 | C04 | 88.4° | 90.0° |
C06 | C05 | H7 | H8 | 119.6° | 120.0° |
C05 | N01 | C03 | O01 | 3.1° | 0.1° |
C05 | N01 | C03 | C04 | 176.8° | 179.9° |
C05 | N01 | C03 | C02 | 178.0° | 180.0° |
C05 | N01 | C04 | H4 | 180.0° | 90.0° |
C05 | N01 | C04 | H5 | 60.0° | 150.0° |
C05 | N01 | C04 | H6 | 60.0° | 29.9° |
N01 | C05 | H7 | H8 | 119.6° | 120.0° |
O01 | C03 | N01 | C02 | 178.9° | 179.9° |
O01 | C03 | N01 | C04 | 179.9° | 180.0° |
O01 | C03 | C02 | C01 | 84.0° | 0.1° |
O01 | C03 | C02 | H3 | 96.0° | 180.0° |
N01 | C03 | C02 | C01 | 97.1° | 180.0° |
N01 | C03 | C02 | H3 | 82.9° | 0.1° |
C03 | N01 | C04 | H4 | 3.3° | 90.1° |
C03 | N01 | C04 | H5 | 116.8° | 29.9° |
C03 | N01 | C04 | H6 | 123.2° | 150.0° |
C03 | N01 | C05 | H7 | 25.3° | 29.9° |
C03 | N01 | C05 | H8 | 145.1° | 150.0° |
C04 | N01 | C03 | C02 | 1.2° | 0.1° |
N01 | C04 | H4 | H5 | 120.0° | 120.0° |
N01 | C04 | H4 | H6 | 120.0° | 120.0° |
N01 | C04 | H5 | H6 | 120.0° | 120.1° |
C04 | N01 | C05 | H7 | 151.5° | 150.0° |
C04 | N01 | C05 | H8 | 31.8° | 29.9° |
C03 | C02 | C01 | H3 | 180.0° | 179.9° |
C03 | C02 | C01 | H1 | 0.0° | 0.1° |
C03 | C02 | C01 | H2 | 180.0° | 179.7° |
C02 | C01 | H1 | H2 | 180.0° | 179.7° |
H1 | C01 | C02 | H3 | 180.0° | 180.0° |
H2 | C01 | C02 | H3 | 0.0° | 0.3° |
H4 | C04 | H5 | H6 | 120.0° | 120.0° |