EZN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | N1 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C14 | doub | 1.41Å | 1.41Å | Aromatic |
| N1 | C12 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.34Å | 1.36Å | Aromatic |
| C14 | C7 | sing | 1.41Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.46Å | 1.44Å | Aromatic |
| C7 | C5 | sing | 1.48Å | 1.49Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C | N | sing | 1.47Å | 1.44Å | |
| C3 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | CL | sing | 1.74Å | 1.74Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| N | H13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C11 | 118.2° | 120.2° |
| C10 | C9 | C8 | 120.6° | 120.8° |
| C10 | C9 | H6 | 119.7° | 119.6° |
| C9 | C10 | H7 | 120.9° | 119.9° |
| C10 | C11 | N1 | 130.6° | 133.4° |
| C10 | C11 | C14 | 122.4° | 119.5° |
| C11 | C10 | H7 | 120.9° | 119.9° |
| C9 | C8 | C7 | 121.4° | 120.3° |
| C9 | C8 | H5 | 119.3° | 119.8° |
| C8 | C9 | H6 | 119.7° | 119.7° |
| N1 | C11 | C14 | 107.1° | 107.1° |
| C11 | N1 | C12 | 109.1° | 109.9° |
| C11 | N1 | H1 | 125.4° | 125.0° |
| C11 | C14 | C7 | 118.5° | 119.9° |
| C11 | C14 | C13 | 107.2° | 106.1° |
| N1 | C12 | C13 | 110.1° | 109.9° |
| C12 | N1 | H1 | 125.5° | 125.1° |
| N1 | C12 | H8 | 125.0° | 125.1° |
| C8 | C7 | C14 | 118.8° | 119.4° |
| C8 | C7 | C5 | 120.3° | 120.3° |
| C7 | C8 | H5 | 119.3° | 119.9° |
| C12 | C13 | C14 | 106.5° | 107.0° |
| C13 | C12 | H8 | 124.9° | 125.0° |
| C12 | C13 | H9 | 126.8° | 126.6° |
| C7 | C14 | C13 | 134.2° | 134.0° |
| C14 | C7 | C5 | 120.9° | 120.3° |
| C14 | C13 | H9 | 126.7° | 126.5° |
| C7 | C5 | C6 | 121.3° | 120.1° |
| C7 | C5 | C4 | 120.2° | 120.1° |
| C6 | C5 | C4 | 118.5° | 119.7° |
| C5 | C6 | C1 | 121.5° | 119.9° |
| C5 | C6 | H4 | 119.2° | 120.1° |
| C5 | C4 | C3 | 119.7° | 119.8° |
| C5 | C4 | H3 | 120.1° | 120.1° |
| C6 | C1 | C | 119.9° | 120.0° |
| C6 | C1 | C2 | 119.0° | 120.1° |
| C1 | C6 | H4 | 119.2° | 120.0° |
| C4 | C3 | C2 | 121.8° | 120.1° |
| C4 | C3 | CL | 119.0° | 119.9° |
| C3 | C4 | H3 | 120.1° | 120.1° |
| C | C1 | C2 | 121.0° | 119.9° |
| C1 | C | N | 114.4° | 109.5° |
| C1 | C | H10 | 108.2° | 109.5° |
| C1 | C | H11 | 108.2° | 109.5° |
| C1 | C2 | C3 | 119.4° | 120.2° |
| C1 | C2 | H2 | 120.3° | 119.9° |
| N | C | H10 | 108.2° | 109.4° |
| N | C | H11 | 108.2° | 109.5° |
| C | N | H12 | 109.5° | 111.0° |
| C | N | H13 | 109.4° | 111.0° |
| C2 | C3 | CL | 119.2° | 119.9° |
| C3 | C2 | H2 | 120.3° | 119.8° |
| H10 | C | H11 | 109.5° | 109.5° |
| H12 | N | H13 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | H7 | 180.0° | 179.9° |
| C10 | C9 | C8 | H6 | 180.0° | 179.9° |
| C9 | C10 | C11 | N1 | 176.9° | 180.0° |
| C9 | C10 | C11 | C14 | 1.5° | 0.0° |
| C10 | C9 | C8 | C7 | 0.7° | 0.1° |
| C10 | C9 | C8 | H5 | 179.3° | 179.9° |
| C11 | C10 | C9 | C8 | 0.3° | 0.1° |
| C10 | C11 | N1 | C14 | 178.7° | 180.0° |
| C10 | C11 | N1 | C12 | 179.3° | 180.0° |
| C10 | C11 | C14 | C7 | 1.7° | 0.0° |
| C10 | C11 | C14 | C13 | 179.7° | 179.8° |
| C10 | C11 | N1 | H1 | 0.7° | 0.3° |
| C11 | C10 | C9 | H6 | 179.7° | 180.0° |
| C9 | C8 | C7 | H5 | 180.0° | 180.0° |
| C9 | C8 | C7 | C14 | 0.5° | 0.0° |
| C9 | C8 | C7 | C5 | 179.5° | 180.0° |
| C8 | C9 | C10 | H7 | 179.7° | 180.0° |
| C11 | N1 | C12 | H1 | 180.0° | 179.7° |
| C11 | N1 | C12 | C13 | 0.2° | 0.3° |
| N1 | C11 | C14 | C7 | 177.1° | 180.0° |
| N1 | C11 | C14 | C13 | 0.9° | 0.2° |
| N1 | C11 | C10 | H7 | 3.1° | 0.0° |
| C11 | N1 | C12 | H8 | 179.9° | 179.7° |
| C14 | C11 | N1 | C12 | 0.7° | 0.0° |
| C11 | C14 | C7 | C8 | 0.7° | 0.0° |
| C11 | C14 | C13 | C12 | 0.8° | 0.3° |
| C11 | C14 | C7 | C13 | 177.3° | 179.8° |
| C11 | C14 | C7 | C5 | 179.3° | 180.0° |
| C14 | C11 | N1 | H1 | 179.3° | 179.7° |
| C14 | C11 | C10 | H7 | 178.5° | 180.0° |
| C11 | C14 | C13 | H9 | 179.2° | 180.0° |
| N1 | C12 | C13 | H8 | 180.0° | 180.0° |
| N1 | C12 | C13 | C14 | 0.4° | 0.4° |
| N1 | C12 | C13 | H9 | 179.6° | 180.0° |
| C8 | C7 | C14 | C5 | 180.0° | 180.0° |
| C8 | C7 | C14 | C13 | 177.9° | 179.8° |
| C8 | C7 | C5 | C6 | 43.2° | 50.0° |
| C8 | C7 | C5 | C4 | 134.7° | 129.7° |
| C7 | C8 | C9 | H6 | 179.3° | 180.0° |
| C12 | C13 | C14 | C7 | 176.7° | 179.9° |
| C12 | C13 | C14 | H9 | 180.0° | 179.7° |
| C13 | C12 | N1 | H1 | 179.8° | 180.0° |
| C14 | C7 | C5 | C6 | 136.8° | 130.0° |
| C14 | C7 | C5 | C4 | 45.3° | 50.2° |
| C14 | C7 | C8 | H5 | 179.5° | 179.9° |
| C7 | C14 | C13 | H9 | 3.3° | 0.2° |
| C13 | C14 | C7 | C5 | 2.1° | 0.3° |
| C14 | C13 | C12 | H8 | 179.6° | 179.6° |
| C7 | C5 | C6 | C4 | 177.9° | 179.7° |
| C7 | C5 | C6 | C1 | 176.7° | 180.0° |
| C7 | C5 | C4 | C3 | 176.9° | 180.0° |
| C7 | C5 | C4 | H3 | 3.1° | 0.0° |
| C7 | C5 | C6 | H4 | 3.3° | 0.2° |
| C5 | C7 | C8 | H5 | 0.5° | 0.0° |
| C5 | C6 | C1 | H4 | 180.0° | 179.8° |
| C6 | C5 | C4 | C3 | 1.0° | 0.2° |
| C5 | C6 | C1 | C | 179.6° | 180.0° |
| C5 | C6 | C1 | C2 | 0.3° | 0.0° |
| C6 | C5 | C4 | H3 | 179.0° | 179.7° |
| C4 | C5 | C6 | C1 | 1.2° | 0.3° |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C5 | C4 | C3 | CL | 178.7° | 180.0° |
| C4 | C5 | C6 | H4 | 178.7° | 179.9° |
| C6 | C1 | C | C2 | 179.9° | 180.0° |
| C6 | C1 | C | N | 136.4° | 90.0° |
| C6 | C1 | C2 | C3 | 0.7° | 0.2° |
| C6 | C1 | C2 | H2 | 179.3° | 179.9° |
| C6 | C1 | C | H10 | 102.9° | 150.0° |
| C6 | C1 | C | H11 | 15.7° | 30.0° |
| C4 | C3 | C2 | C1 | 0.9° | 0.2° |
| C4 | C3 | C2 | CL | 178.7° | 180.0° |
| C4 | C3 | C2 | H2 | 179.1° | 180.0° |
| C1 | C | N | H10 | 120.7° | 120.0° |
| C1 | C | N | H11 | 120.7° | 120.1° |
| C | C1 | C2 | C3 | 179.3° | 179.8° |
| C | C1 | C2 | H2 | 0.7° | 0.0° |
| C | C1 | C6 | H4 | 0.4° | 0.2° |
| C1 | C | H10 | H11 | 117.7° | 120.1° |
| C1 | C | N | H12 | 180.0° | 56.0° |
| C1 | C | N | H13 | 60.0° | 180.0° |
| C2 | C1 | C | N | 43.6° | 89.9° |
| C1 | C2 | C3 | H2 | 180.0° | 179.7° |
| C1 | C2 | C3 | CL | 177.8° | 179.8° |
| C2 | C1 | C6 | H4 | 179.6° | 179.8° |
| C2 | C1 | C | H10 | 77.1° | 30.0° |
| C2 | C1 | C | H11 | 164.3° | 150.0° |
| N | C | H10 | H11 | 117.8° | 120.0° |
| C | N | H12 | H13 | 120.0° | 123.9° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| CL | C3 | C2 | H2 | 2.3° | 0.0° |
| CL | C3 | C4 | H3 | 1.3° | 0.0° |
| H1 | N1 | C12 | H8 | 0.2° | 0.0° |
| H5 | C8 | C9 | H6 | 0.7° | 0.0° |
| H6 | C9 | C10 | H7 | 0.3° | 0.1° |
| H8 | C12 | C13 | H9 | 0.4° | 0.0° |
| H10 | C | N | H12 | 59.2° | 63.9° |
| H10 | C | N | H13 | 179.3° | 60.1° |
| H11 | C | N | H12 | 59.3° | 176.1° |
| H11 | C | N | H13 | 60.7° | 59.9° |
