WRN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N01 | C02 | trip | 1.14Å | 1.13Å | |
C02 | C03 | sing | 1.43Å | 1.53Å | |
C04 | C03 | doub | 1.40Å | 1.40Å | Aromatic |
C04 | C05 | sing | 1.36Å | 1.39Å | Aromatic |
C03 | N13 | sing | 1.32Å | 1.33Å | Aromatic |
C05 | C06 | doub | 1.41Å | 1.43Å | Aromatic |
N13 | C12 | doub | 1.33Å | 1.36Å | Aromatic |
C06 | C12 | sing | 1.42Å | 1.36Å | Aromatic |
C06 | C07 | sing | 1.40Å | 1.43Å | Aromatic |
C12 | C10 | sing | 1.41Å | 1.43Å | Aromatic |
C07 | C08 | doub | 1.36Å | 1.39Å | Aromatic |
C10 | O11 | sing | 1.36Å | 1.40Å | |
C10 | C09 | doub | 1.37Å | 1.39Å | Aromatic |
C08 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
C04 | H1 | sing | 1.08Å | 1.08Å | |
C05 | H2 | sing | 1.08Å | 1.08Å | |
C07 | H3 | sing | 1.08Å | 1.08Å | |
C08 | H4 | sing | 1.08Å | 1.08Å | |
C09 | H5 | sing | 1.08Å | 1.08Å | |
O11 | H6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N01 | C02 | C03 | 180.0° | 180.0° |
C02 | C03 | C04 | 119.6° | 119.2° |
C02 | C03 | N13 | 119.5° | 119.3° |
C03 | C04 | C05 | 120.2° | 119.8° |
C04 | C03 | N13 | 120.8° | 121.5° |
C03 | C04 | H1 | 119.9° | 120.1° |
C04 | C05 | C06 | 117.2° | 118.3° |
C05 | C04 | H1 | 119.9° | 120.1° |
C04 | C05 | H2 | 121.4° | 120.8° |
C03 | N13 | C12 | 120.8° | 121.2° |
C05 | C06 | C12 | 119.8° | 119.1° |
C05 | C06 | C07 | 120.2° | 121.3° |
C06 | C05 | H2 | 121.4° | 120.9° |
N13 | C12 | C06 | 121.2° | 120.0° |
N13 | C12 | C10 | 118.9° | 121.0° |
C12 | C06 | C07 | 120.0° | 119.6° |
C06 | C12 | C10 | 119.9° | 119.0° |
C06 | C07 | C08 | 120.0° | 119.8° |
C06 | C07 | H3 | 120.0° | 120.1° |
C12 | C10 | O11 | 119.9° | 120.2° |
C12 | C10 | C09 | 120.0° | 119.6° |
C07 | C08 | C09 | 120.0° | 121.0° |
C08 | C07 | H3 | 120.0° | 120.1° |
C07 | C08 | H4 | 119.9° | 119.5° |
O11 | C10 | C09 | 120.0° | 120.2° |
C10 | O11 | H6 | 109.5° | 114.0° |
C10 | C09 | C08 | 120.0° | 121.0° |
C10 | C09 | H5 | 120.0° | 119.5° |
C09 | C08 | H4 | 120.0° | 119.5° |
C08 | C09 | H5 | 120.0° | 119.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N01 | C02 | C03 | C04 | 172.9° | 127.1° |
N01 | C02 | C03 | N13 | 7.1° | 52.9° |
C02 | C03 | C04 | N13 | 180.0° | 180.0° |
C02 | C03 | C04 | C05 | 180.0° | 180.0° |
C02 | C03 | N13 | C12 | 179.9° | 180.0° |
C02 | C03 | C04 | H1 | 0.0° | 0.1° |
C03 | C04 | C05 | H1 | 180.0° | 179.9° |
C03 | C04 | C05 | C06 | 0.0° | 0.1° |
C04 | C03 | N13 | C12 | 0.1° | 0.0° |
C03 | C04 | C05 | H2 | 180.0° | 180.0° |
C05 | C04 | C03 | N13 | 0.0° | 0.0° |
C04 | C05 | C06 | H2 | 180.0° | 180.0° |
C04 | C05 | C06 | C12 | 0.0° | 0.1° |
C04 | C05 | C06 | C07 | 180.0° | 180.0° |
C03 | N13 | C12 | C06 | 0.0° | 0.0° |
C03 | N13 | C12 | C10 | 180.0° | 180.0° |
N13 | C03 | C04 | H1 | 180.0° | 180.0° |
C05 | C06 | C12 | N13 | 0.0° | 0.0° |
C05 | C06 | C12 | C07 | 179.9° | 180.0° |
C05 | C06 | C12 | C10 | 179.9° | 180.0° |
C05 | C06 | C07 | C08 | 180.0° | 179.7° |
C06 | C05 | C04 | H1 | 180.0° | 180.0° |
C05 | C06 | C07 | H3 | 0.1° | 0.0° |
N13 | C12 | C06 | C10 | 180.0° | 180.0° |
N13 | C12 | C06 | C07 | 179.9° | 180.0° |
N13 | C12 | C10 | O11 | 0.1° | 0.0° |
N13 | C12 | C10 | C09 | 179.9° | 179.7° |
C12 | C06 | C07 | C08 | 0.1° | 0.3° |
C06 | C12 | C10 | O11 | 180.0° | 180.0° |
C06 | C12 | C10 | C09 | 0.0° | 0.3° |
C12 | C06 | C05 | H2 | 180.0° | 180.0° |
C12 | C06 | C07 | H3 | 180.0° | 179.9° |
C07 | C06 | C12 | C10 | 0.0° | 0.0° |
C06 | C07 | C08 | H3 | 180.0° | 179.6° |
C06 | C07 | C08 | C09 | 0.1° | 0.4° |
C07 | C06 | C05 | H2 | 0.0° | 0.0° |
C06 | C07 | C08 | H4 | 179.9° | 180.0° |
C12 | C10 | O11 | C09 | 180.0° | 179.7° |
C12 | C10 | C09 | C08 | 0.0° | 0.3° |
C12 | C10 | C09 | H5 | 179.9° | 179.7° |
C12 | C10 | O11 | H6 | 180.0° | 90.3° |
C07 | C08 | C09 | C10 | 0.1° | 0.0° |
C07 | C08 | C09 | H4 | 180.0° | 179.7° |
C07 | C08 | C09 | H5 | 179.9° | 180.0° |
O11 | C10 | C09 | C08 | 180.0° | 180.0° |
O11 | C10 | C09 | H5 | 0.0° | 0.0° |
C10 | C09 | C08 | H5 | 180.0° | 180.0° |
C10 | C09 | C08 | H4 | 179.9° | 179.7° |
C09 | C10 | O11 | H6 | 0.0° | 90.0° |
C09 | C08 | C07 | H3 | 179.9° | 180.0° |
H1 | C04 | C05 | H2 | 0.0° | 0.0° |
H3 | C07 | C08 | H4 | 0.0° | 0.4° |
H4 | C08 | C09 | H5 | 0.1° | 0.3° |