7NF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C52 | C53 | sing | 1.53Å | 1.37Å | |
C52 | O9 | sing | 1.45Å | 1.46Å | |
O9 | C51 | sing | 1.35Å | 1.34Å | |
O10 | C51 | doub | 1.22Å | 1.21Å | |
C51 | C50 | sing | 1.47Å | 1.49Å | |
N9 | C50 | doub | 1.30Å | 1.32Å | Aromatic |
N9 | C48 | sing | 1.32Å | 1.39Å | Aromatic |
C50 | S | sing | 1.76Å | 1.73Å | Aromatic |
C47 | C48 | sing | 1.47Å | 1.49Å | |
C47 | O11 | doub | 1.22Å | 1.22Å | |
C48 | C49 | doub | 1.37Å | 1.36Å | Aromatic |
S | C49 | sing | 1.71Å | 1.72Å | Aromatic |
C52 | H2 | sing | 1.09Å | 1.10Å | |
C52 | H3 | sing | 1.09Å | 1.10Å | |
C53 | H4 | sing | 1.09Å | 1.10Å | |
C53 | H5 | sing | 1.09Å | 1.10Å | |
C53 | H6 | sing | 1.09Å | 1.10Å | |
C49 | H7 | sing | 1.08Å | 1.08Å | |
C47 | OXT | sing | 1.35Å | 1.34Å | |
OXT | H1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C53 | C52 | O9 | 112.2° | 109.5° |
C53 | C52 | H2 | 108.8° | 109.5° |
C53 | C52 | H3 | 108.8° | 109.4° |
C52 | C53 | H4 | 109.5° | 109.4° |
C52 | C53 | H5 | 109.5° | 109.4° |
C52 | C53 | H6 | 109.5° | 109.5° |
C52 | O9 | C51 | 116.6° | 117.0° |
O9 | C52 | H2 | 108.8° | 109.5° |
O9 | C52 | H3 | 108.8° | 109.5° |
O9 | C51 | O10 | 124.0° | 120.0° |
O9 | C51 | C50 | 112.5° | 120.0° |
O10 | C51 | C50 | 123.5° | 120.0° |
C51 | C50 | N9 | 111.1° | 125.2° |
C51 | C50 | S | 133.7° | 125.2° |
C50 | N9 | C48 | 109.8° | 116.1° |
N9 | C50 | S | 115.1° | 109.6° |
N9 | C48 | C47 | 121.2° | 122.6° |
N9 | C48 | C49 | 115.6° | 114.9° |
C50 | S | C49 | 89.1° | 90.6° |
C48 | C47 | O11 | 120.8° | 120.0° |
C47 | C48 | C49 | 123.2° | 122.6° |
C48 | C47 | OXT | 116.3° | 120.0° |
O11 | C47 | OXT | 122.8° | 120.0° |
C48 | C49 | S | 110.3° | 108.9° |
C48 | C49 | H7 | 124.9° | 125.5° |
S | C49 | H7 | 124.8° | 125.6° |
H2 | C52 | H3 | 109.5° | 109.4° |
H4 | C53 | H5 | 109.5° | 109.5° |
H4 | C53 | H6 | 109.5° | 109.5° |
H5 | C53 | H6 | 109.4° | 109.5° |
C47 | OXT | H1 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C53 | C52 | O9 | H2 | 120.4° | 120.0° |
C53 | C52 | O9 | H3 | 120.4° | 120.0° |
C53 | C52 | O9 | C51 | 91.1° | 180.0° |
C53 | C52 | H2 | H3 | 118.8° | 119.9° |
C52 | C53 | H4 | H5 | 120.0° | 120.0° |
C52 | C53 | H4 | H6 | 120.0° | 120.0° |
C52 | C53 | H5 | H6 | 120.0° | 120.0° |
C52 | O9 | C51 | O10 | 12.9° | 0.1° |
C52 | O9 | C51 | C50 | 168.6° | 180.0° |
O9 | C52 | H2 | H3 | 118.7° | 120.0° |
O9 | C52 | C53 | H4 | 180.0° | 60.0° |
O9 | C52 | C53 | H5 | 60.0° | 60.0° |
O9 | C52 | C53 | H6 | 60.0° | 180.0° |
O9 | C51 | O10 | C50 | 178.4° | 179.9° |
O9 | C51 | C50 | N9 | 31.9° | 180.0° |
O9 | C51 | C50 | S | 144.1° | 0.0° |
C51 | O9 | C52 | H2 | 148.4° | 59.9° |
C51 | O9 | C52 | H3 | 29.2° | 60.1° |
O10 | C51 | C50 | N9 | 149.5° | 0.1° |
O10 | C51 | C50 | S | 34.4° | 180.0° |
C51 | C50 | N9 | S | 176.9° | 180.0° |
C51 | C50 | N9 | C48 | 175.4° | 180.0° |
C51 | C50 | S | C49 | 174.6° | 179.8° |
C50 | N9 | C48 | C47 | 177.6° | 180.0° |
C50 | N9 | C48 | C49 | 0.8° | 0.2° |
N9 | C50 | S | C49 | 1.3° | 0.2° |
C48 | N9 | C50 | S | 1.5° | 0.0° |
N9 | C48 | C47 | C49 | 178.3° | 179.7° |
N9 | C48 | C47 | O11 | 163.1° | 179.7° |
N9 | C48 | C49 | S | 0.1° | 0.4° |
N9 | C48 | C49 | H7 | 179.9° | 179.7° |
N9 | C48 | C47 | OXT | 18.0° | 0.6° |
C50 | S | C49 | C48 | 0.8° | 0.3° |
C50 | S | C49 | H7 | 179.2° | 179.8° |
C48 | C47 | O11 | OXT | 178.9° | 179.7° |
C47 | C48 | C49 | S | 178.5° | 179.9° |
C47 | C48 | C49 | H7 | 1.4° | 0.0° |
C48 | C47 | OXT | H1 | 178.9° | 180.0° |
O11 | C47 | C48 | C49 | 15.3° | 0.0° |
O11 | C47 | OXT | H1 | 0.0° | 0.3° |
C48 | C49 | S | H7 | 180.0° | 179.9° |
C49 | C48 | C47 | OXT | 163.7° | 179.7° |
H2 | C52 | C53 | H4 | 59.6° | 180.0° |
H2 | C52 | C53 | H5 | 60.4° | 60.1° |
H2 | C52 | C53 | H6 | 179.6° | 60.0° |
H3 | C52 | C53 | H4 | 59.6° | 60.0° |
H3 | C52 | C53 | H5 | 179.6° | 180.0° |
H3 | C52 | C53 | H6 | 60.4° | 60.0° |
H4 | C53 | H5 | H6 | 120.0° | 120.0° |