EEY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | N16 | sing | 1.32Å | 1.33Å | Aromatic |
C18 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
N16 | C15 | doub | 1.32Å | 1.31Å | Aromatic |
C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
C13 | N12 | sing | 1.39Å | 1.48Å | |
C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
O11 | C10 | doub | 1.22Å | 1.19Å | |
C10 | N12 | sing | 1.35Å | 1.49Å | |
C10 | C04 | sing | 1.48Å | 1.56Å | |
C03 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
C03 | C02 | sing | 1.38Å | 1.41Å | Aromatic |
C04 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
C02 | C01 | doub | 1.38Å | 1.40Å | Aromatic |
C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
C01 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
C06 | N07 | sing | 1.48Å | 1.47Å | |
N07 | O09 | doub | 1.22Å | 1.41Å | |
N07 | O08 | sing | 1.22Å | 1.43Å | |
C03 | CL1 | sing | 1.74Å | 2.04Å | |
N12 | H1 | sing | 0.97Å | 1.00Å | |
C15 | H2 | sing | 1.08Å | 1.08Å | |
C17 | H3 | sing | 1.08Å | 1.08Å | |
C01 | H4 | sing | 1.08Å | 1.08Å | |
C02 | H5 | sing | 1.08Å | 1.08Å | |
C05 | H6 | sing | 1.08Å | 1.08Å | |
C14 | H7 | sing | 1.08Å | 1.08Å | |
C18 | H8 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C18 | C17 | N16 | 123.0° | 120.8° |
C17 | C18 | C13 | 118.4° | 119.1° |
C18 | C17 | H3 | 118.5° | 119.6° |
C17 | C18 | H8 | 120.8° | 120.5° |
C17 | N16 | C15 | 120.6° | 121.9° |
N16 | C17 | H3 | 118.5° | 119.6° |
C18 | C13 | C14 | 116.9° | 118.2° |
C18 | C13 | N12 | 122.6° | 120.9° |
C13 | C18 | H8 | 120.8° | 120.4° |
N16 | C15 | C14 | 119.1° | 120.9° |
N16 | C15 | H2 | 120.5° | 119.6° |
C14 | C13 | N12 | 120.5° | 120.9° |
C13 | C14 | C15 | 121.9° | 119.1° |
C13 | C14 | H7 | 119.0° | 120.5° |
C13 | N12 | C10 | 124.6° | 120.0° |
C13 | N12 | H1 | 117.7° | 120.0° |
C14 | C15 | H2 | 120.4° | 119.6° |
C15 | C14 | H7 | 119.1° | 120.5° |
O11 | C10 | N12 | 121.6° | 120.0° |
O11 | C10 | C04 | 121.7° | 120.0° |
N12 | C10 | C04 | 116.7° | 120.0° |
C10 | N12 | H1 | 117.7° | 120.0° |
C10 | C04 | C03 | 123.0° | 120.1° |
C10 | C04 | C05 | 117.6° | 120.2° |
C04 | C03 | C02 | 119.1° | 119.8° |
C03 | C04 | C05 | 119.4° | 119.7° |
C04 | C03 | CL1 | 103.5° | 120.1° |
C03 | C02 | C01 | 121.3° | 120.1° |
C02 | C03 | CL1 | 132.6° | 120.1° |
C03 | C02 | H5 | 119.4° | 119.9° |
C04 | C05 | C06 | 121.2° | 119.8° |
C04 | C05 | H6 | 119.4° | 120.1° |
C02 | C01 | C06 | 118.9° | 120.3° |
C02 | C01 | H4 | 120.6° | 119.8° |
C01 | C02 | H5 | 119.3° | 119.9° |
C05 | C06 | C01 | 120.1° | 120.2° |
C05 | C06 | N07 | 117.1° | 119.8° |
C06 | C05 | H6 | 119.4° | 120.1° |
C01 | C06 | N07 | 122.8° | 119.9° |
C06 | C01 | H4 | 120.6° | 119.8° |
C06 | N07 | O09 | 117.8° | 120.0° |
C06 | N07 | O08 | 122.1° | 120.1° |
O09 | N07 | O08 | 120.1° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C18 | C17 | N16 | H3 | 180.0° | 179.4° |
C17 | C18 | C13 | H8 | 180.0° | 180.0° |
C18 | C17 | N16 | C15 | 0.0° | 0.8° |
C17 | C18 | C13 | C14 | 0.5° | 0.0° |
C17 | C18 | C13 | N12 | 179.9° | 179.7° |
N16 | C17 | C18 | C13 | 0.0° | 0.5° |
C17 | N16 | C15 | C14 | 0.4° | 0.6° |
C17 | N16 | C15 | H2 | 179.6° | 179.4° |
N16 | C17 | C18 | H8 | 180.0° | 179.5° |
C18 | C13 | C14 | N12 | 179.5° | 179.7° |
C18 | C13 | C14 | C15 | 0.9° | 0.2° |
C18 | C13 | N12 | C10 | 62.3° | 32.7° |
C18 | C13 | N12 | H1 | 117.7° | 147.3° |
C13 | C18 | C17 | H3 | 180.0° | 180.0° |
C18 | C13 | C14 | H7 | 179.1° | 179.7° |
N16 | C15 | C14 | C13 | 0.8° | 0.0° |
N16 | C15 | C14 | H2 | 180.0° | 180.0° |
C15 | N16 | C17 | H3 | 180.0° | 179.7° |
N16 | C15 | C14 | H7 | 179.2° | 180.0° |
C13 | C14 | C15 | H7 | 180.0° | 180.0° |
C14 | C13 | N12 | C10 | 118.3° | 147.6° |
C14 | C13 | N12 | H1 | 61.7° | 32.4° |
C13 | C14 | C15 | H2 | 179.1° | 180.0° |
C14 | C13 | C18 | H8 | 179.5° | 180.0° |
N12 | C13 | C14 | C15 | 179.6° | 179.9° |
C13 | N12 | C10 | O11 | 1.2° | 5.4° |
C13 | N12 | C10 | H1 | 180.0° | 180.0° |
C13 | N12 | C10 | C04 | 179.0° | 174.9° |
N12 | C13 | C14 | H7 | 0.4° | 0.0° |
N12 | C13 | C18 | H8 | 0.1° | 0.3° |
O11 | C10 | N12 | C04 | 179.8° | 179.7° |
O11 | C10 | C04 | C03 | 64.6° | 0.3° |
O11 | C10 | C04 | C05 | 116.6° | 179.7° |
O11 | C10 | N12 | H1 | 178.8° | 174.6° |
N12 | C10 | C04 | C03 | 115.1° | 180.0° |
N12 | C10 | C04 | C05 | 63.7° | 0.0° |
C10 | C04 | C03 | C05 | 178.8° | 179.9° |
C10 | C04 | C03 | C02 | 179.2° | 180.0° |
C10 | C04 | C05 | C06 | 179.2° | 179.9° |
C10 | C04 | C03 | CL1 | 20.8° | 0.0° |
C04 | C10 | N12 | H1 | 1.0° | 5.2° |
C10 | C04 | C05 | H6 | 0.8° | 0.0° |
C04 | C03 | C02 | CL1 | 150.9° | 180.0° |
C04 | C03 | C02 | C01 | 0.4° | 0.0° |
C03 | C04 | C05 | C06 | 0.3° | 0.0° |
C04 | C03 | C02 | H5 | 179.6° | 180.0° |
C03 | C04 | C05 | H6 | 179.7° | 180.0° |
C02 | C03 | C04 | C05 | 0.4° | 0.0° |
C03 | C02 | C01 | H5 | 180.0° | 180.0° |
C03 | C02 | C01 | C06 | 0.2° | 0.0° |
C03 | C02 | C01 | H4 | 179.8° | 179.7° |
C04 | C05 | C06 | H6 | 180.0° | 180.0° |
C04 | C05 | C06 | C01 | 0.1° | 0.0° |
C04 | C05 | C06 | N07 | 179.6° | 179.7° |
C05 | C04 | C03 | CL1 | 158.0° | 180.0° |
C02 | C01 | C06 | C05 | 0.1° | 0.1° |
C02 | C01 | C06 | H4 | 180.0° | 179.8° |
C02 | C01 | C06 | N07 | 179.6° | 179.7° |
C01 | C02 | C03 | CL1 | 150.6° | 180.0° |
C05 | C06 | C01 | N07 | 179.7° | 179.7° |
C05 | C06 | N07 | O09 | 0.3° | 179.7° |
C05 | C06 | N07 | O08 | 179.9° | 0.3° |
C05 | C06 | C01 | H4 | 180.0° | 179.7° |
C01 | C06 | N07 | O09 | 179.5° | 0.0° |
C01 | C06 | N07 | O08 | 0.2° | 180.0° |
C06 | C01 | C02 | H5 | 179.8° | 180.0° |
C01 | C06 | C05 | H6 | 179.9° | 180.0° |
C06 | N07 | O09 | O08 | 179.7° | 180.0° |
N07 | C06 | C01 | H4 | 0.4° | 0.1° |
N07 | C06 | C05 | H6 | 0.4° | 0.3° |
CL1 | C03 | C02 | H5 | 29.4° | 0.0° |
H2 | C15 | C14 | H7 | 0.9° | 0.0° |
H3 | C17 | C18 | H8 | 0.0° | 0.1° |
H4 | C01 | C02 | H5 | 0.2° | 0.3° |