E0X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N08 | C02 | sing | 1.39Å | 1.44Å | |
| CL1 | C03 | sing | 1.73Å | 1.80Å | |
| C02 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | N01 | sing | 1.33Å | 1.35Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.35Å | Aromatic |
| N01 | C06 | doub | 1.32Å | 1.35Å | Aromatic |
| C04 | O09 | sing | 1.36Å | 1.40Å | |
| C04 | C05 | doub | 1.39Å | 1.35Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| O09 | C10 | sing | 1.36Å | 1.39Å | |
| F33 | C15 | sing | 1.35Å | 1.36Å | |
| C10 | C15 | doub | 1.39Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | N16 | sing | 1.40Å | 1.45Å | |
| O32 | C17 | doub | 1.22Å | 1.17Å | |
| N16 | C17 | sing | 1.35Å | 1.45Å | |
| C17 | C18 | sing | 1.47Å | 1.51Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | |
| C18 | C23 | sing | 1.47Å | 1.36Å | |
| O25 | C23 | doub | 1.22Å | 1.20Å | |
| C19 | N20 | sing | 1.34Å | 1.35Å | |
| C23 | C22 | sing | 1.47Å | 1.37Å | |
| N20 | C21 | sing | 1.35Å | 1.35Å | |
| C22 | C21 | doub | 1.36Å | 1.39Å | |
| C22 | C24 | sing | 1.48Å | 1.52Å | |
| C24 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | F31 | sing | 1.35Å | 1.34Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C27 | H8 | sing | 1.08Å | 1.08Å | |
| C29 | H9 | sing | 1.08Å | 1.08Å | |
| C05 | H10 | sing | 1.08Å | 1.08Å | |
| C06 | H11 | sing | 1.08Å | 1.08Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| N08 | H13 | sing | 0.97Å | 1.00Å | |
| N08 | H14 | sing | 0.97Å | 1.00Å | |
| N16 | H15 | sing | 0.97Å | 1.00Å | |
| N20 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N08 | C02 | C03 | 120.3° | 119.7° |
| N08 | C02 | N01 | 118.9° | 119.7° |
| C02 | N08 | H13 | 109.5° | 120.0° |
| C02 | N08 | H14 | 109.5° | 120.1° |
| CL1 | C03 | C02 | 122.3° | 120.5° |
| CL1 | C03 | C04 | 117.9° | 120.5° |
| C03 | C02 | N01 | 120.8° | 120.6° |
| C02 | C03 | C04 | 119.8° | 119.0° |
| C02 | N01 | C06 | 119.0° | 121.8° |
| C03 | C04 | O09 | 116.1° | 120.8° |
| C03 | C04 | C05 | 119.9° | 118.4° |
| N01 | C06 | C05 | 120.7° | 120.9° |
| N01 | C06 | H11 | 119.7° | 119.5° |
| O09 | C04 | C05 | 124.0° | 120.8° |
| C04 | O09 | C10 | 114.4° | 118.0° |
| C04 | C05 | C06 | 119.8° | 119.3° |
| C04 | C05 | H10 | 120.1° | 120.4° |
| C06 | C05 | H10 | 120.1° | 120.3° |
| C05 | C06 | H11 | 119.6° | 119.6° |
| O09 | C10 | C15 | 118.6° | 120.0° |
| O09 | C10 | C11 | 121.0° | 120.0° |
| F33 | C15 | C10 | 120.1° | 120.0° |
| F33 | C15 | C14 | 120.1° | 120.1° |
| C15 | C10 | C11 | 120.4° | 120.0° |
| C10 | C15 | C14 | 119.8° | 120.0° |
| C10 | C11 | C12 | 119.5° | 120.1° |
| C10 | C11 | H1 | 120.3° | 120.0° |
| C15 | C14 | C13 | 120.2° | 120.0° |
| C15 | C14 | H3 | 119.9° | 120.0° |
| C11 | C12 | C13 | 120.5° | 120.0° |
| C12 | C11 | H1 | 120.2° | 119.9° |
| C11 | C12 | H2 | 119.8° | 120.0° |
| C14 | C13 | C12 | 119.7° | 120.0° |
| C14 | C13 | N16 | 122.5° | 120.1° |
| C13 | C14 | H3 | 119.9° | 120.0° |
| C12 | C13 | N16 | 117.8° | 120.0° |
| C13 | C12 | H2 | 119.8° | 120.0° |
| C13 | N16 | C17 | 127.7° | 120.0° |
| C13 | N16 | H15 | 116.2° | 120.1° |
| O32 | C17 | N16 | 123.5° | 120.0° |
| O32 | C17 | C18 | 119.8° | 120.0° |
| N16 | C17 | C18 | 116.5° | 120.0° |
| C17 | N16 | H15 | 116.2° | 119.9° |
| C17 | C18 | C19 | 120.1° | 120.9° |
| C17 | C18 | C23 | 119.1° | 120.9° |
| C19 | C18 | C23 | 120.7° | 118.2° |
| C18 | C19 | N20 | 119.9° | 121.2° |
| C18 | C19 | H4 | 120.0° | 119.4° |
| C18 | C23 | O25 | 120.3° | 121.3° |
| C18 | C23 | C22 | 118.5° | 117.3° |
| O25 | C23 | C22 | 121.2° | 121.3° |
| C19 | N20 | C21 | 120.2° | 123.2° |
| N20 | C19 | H4 | 120.1° | 119.4° |
| C19 | N20 | H6 | 119.9° | 118.4° |
| C23 | C22 | C21 | 120.8° | 118.5° |
| C23 | C22 | C24 | 121.3° | 120.8° |
| N20 | C21 | C22 | 119.9° | 121.6° |
| N20 | C21 | H5 | 120.0° | 119.2° |
| C21 | N20 | H6 | 119.9° | 118.4° |
| C21 | C22 | C24 | 117.8° | 120.7° |
| C22 | C21 | H5 | 120.1° | 119.2° |
| C22 | C24 | C26 | 121.9° | 120.1° |
| C22 | C24 | C30 | 117.4° | 120.1° |
| C26 | C24 | C30 | 120.7° | 119.8° |
| C24 | C26 | C27 | 120.6° | 119.9° |
| C24 | C26 | H7 | 119.7° | 120.0° |
| C24 | C30 | C29 | 119.7° | 119.9° |
| C24 | C30 | H12 | 120.2° | 120.0° |
| C26 | C27 | C28 | 118.0° | 120.1° |
| C27 | C26 | H7 | 119.7° | 120.0° |
| C26 | C27 | H8 | 121.0° | 120.0° |
| C30 | C29 | C28 | 118.8° | 120.1° |
| C30 | C29 | H9 | 120.6° | 120.0° |
| C29 | C30 | H12 | 120.2° | 120.1° |
| C27 | C28 | C29 | 122.2° | 120.2° |
| C27 | C28 | F31 | 119.2° | 119.9° |
| C28 | C27 | H8 | 121.0° | 119.9° |
| C29 | C28 | F31 | 118.6° | 119.9° |
| C28 | C29 | H9 | 120.6° | 119.9° |
| H13 | N08 | H14 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N08 | C02 | C03 | CL1 | 0.8° | 0.2° |
| N08 | C02 | C03 | N01 | 178.9° | 179.8° |
| N08 | C02 | C03 | C04 | 179.0° | 179.7° |
| N08 | C02 | N01 | C06 | 179.5° | 179.8° |
| C02 | N08 | H13 | H14 | 120.0° | 179.9° |
| CL1 | C03 | C02 | C04 | 179.7° | 180.0° |
| CL1 | C03 | C02 | N01 | 179.6° | 180.0° |
| CL1 | C03 | C04 | O09 | 1.0° | 0.0° |
| CL1 | C03 | C04 | C05 | 179.3° | 180.0° |
| C03 | C02 | N01 | C06 | 0.6° | 0.0° |
| C02 | C03 | C04 | O09 | 179.2° | 180.0° |
| C02 | C03 | C04 | C05 | 1.0° | 0.0° |
| C03 | C02 | N08 | H13 | 178.9° | 0.0° |
| C03 | C02 | N08 | H14 | 58.9° | 179.9° |
| N01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C02 | N01 | C06 | C05 | 0.0° | 0.0° |
| C02 | N01 | C06 | H11 | 180.0° | 180.0° |
| N01 | C02 | N08 | H13 | 0.0° | 179.8° |
| N01 | C02 | N08 | H14 | 120.0° | 0.3° |
| C03 | C04 | O09 | C05 | 178.2° | 180.0° |
| C03 | C04 | C05 | C06 | 1.6° | 0.0° |
| C03 | C04 | O09 | C10 | 167.5° | 173.7° |
| C03 | C04 | C05 | H10 | 178.4° | 180.0° |
| N01 | C06 | C05 | C04 | 1.1° | 0.0° |
| N01 | C06 | C05 | H11 | 180.0° | 180.0° |
| N01 | C06 | C05 | H10 | 178.9° | 180.0° |
| O09 | C04 | C05 | C06 | 179.7° | 180.0° |
| C04 | O09 | C10 | C15 | 111.8° | 82.4° |
| C04 | O09 | C10 | C11 | 69.9° | 97.3° |
| O09 | C04 | C05 | H10 | 0.3° | 0.0° |
| C04 | C05 | C06 | H10 | 180.0° | 180.0° |
| C05 | C04 | O09 | C10 | 14.3° | 6.3° |
| C04 | C05 | C06 | H11 | 178.9° | 180.0° |
| O09 | C10 | C15 | F33 | 0.3° | 0.2° |
| O09 | C10 | C15 | C11 | 178.3° | 179.7° |
| O09 | C10 | C15 | C14 | 179.4° | 179.7° |
| O09 | C10 | C11 | C12 | 179.8° | 179.8° |
| O09 | C10 | C11 | H1 | 0.2° | 0.3° |
| F33 | C15 | C10 | C14 | 179.7° | 180.0° |
| F33 | C15 | C10 | C11 | 178.6° | 180.0° |
| F33 | C15 | C14 | C13 | 179.7° | 180.0° |
| F33 | C15 | C14 | H3 | 0.3° | 0.0° |
| C15 | C10 | C11 | C12 | 1.9° | 0.0° |
| C10 | C15 | C14 | C13 | 0.6° | 0.0° |
| C15 | C10 | C11 | H1 | 178.1° | 180.0° |
| C10 | C15 | C14 | H3 | 179.4° | 180.0° |
| C11 | C10 | C15 | C14 | 1.1° | 0.0° |
| C10 | C11 | C12 | H1 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.0° | 0.1° |
| C10 | C11 | C12 | H2 | 179.0° | 180.0° |
| C15 | C14 | C13 | H3 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 1.5° | 0.0° |
| C15 | C14 | C13 | N16 | 179.9° | 179.9° |
| C11 | C12 | C13 | C14 | 0.7° | 0.1° |
| C11 | C12 | C13 | H2 | 180.0° | 180.0° |
| C11 | C12 | C13 | N16 | 179.4° | 180.0° |
| C14 | C13 | C12 | N16 | 178.6° | 179.9° |
| C14 | C13 | N16 | C17 | 5.9° | 26.5° |
| C14 | C13 | C12 | H2 | 179.3° | 180.0° |
| C14 | C13 | N16 | H15 | 174.0° | 153.5° |
| C12 | C13 | N16 | C17 | 172.7° | 153.4° |
| C13 | C12 | C11 | H1 | 179.0° | 180.0° |
| C12 | C13 | C14 | H3 | 178.5° | 180.0° |
| C12 | C13 | N16 | H15 | 7.4° | 26.6° |
| C13 | N16 | C17 | O32 | 2.2° | 8.6° |
| C13 | N16 | C17 | H15 | 180.0° | 180.0° |
| C13 | N16 | C17 | C18 | 177.6° | 171.4° |
| N16 | C13 | C12 | H2 | 0.6° | 0.0° |
| N16 | C13 | C14 | H3 | 0.1° | 0.1° |
| O32 | C17 | N16 | C18 | 175.4° | 180.0° |
| O32 | C17 | C18 | C19 | 1.6° | 7.7° |
| O32 | C17 | C18 | C23 | 175.2° | 172.6° |
| O32 | C17 | N16 | H15 | 177.8° | 171.3° |
| N16 | C17 | C18 | C19 | 177.1° | 172.3° |
| N16 | C17 | C18 | C23 | 0.4° | 7.3° |
| C17 | C18 | C19 | C23 | 176.7° | 179.6° |
| C17 | C18 | C23 | O25 | 2.7° | 0.0° |
| C17 | C18 | C19 | N20 | 177.8° | 180.0° |
| C17 | C18 | C23 | C22 | 178.1° | 180.0° |
| C17 | C18 | C19 | H4 | 2.2° | 0.1° |
| C18 | C17 | N16 | H15 | 2.4° | 8.6° |
| C19 | C18 | C23 | O25 | 179.5° | 179.7° |
| C18 | C19 | N20 | H4 | 180.0° | 179.9° |
| C19 | C18 | C23 | C22 | 1.4° | 0.3° |
| C18 | C19 | N20 | C21 | 0.1° | 0.0° |
| C18 | C19 | N20 | H6 | 179.9° | 180.0° |
| C18 | C23 | O25 | C22 | 179.2° | 180.0° |
| C23 | C18 | C19 | N20 | 1.1° | 0.4° |
| C18 | C23 | C22 | C21 | 0.7° | 0.0° |
| C18 | C23 | C22 | C24 | 180.0° | 179.9° |
| C23 | C18 | C19 | H4 | 178.9° | 179.7° |
| O25 | C23 | C22 | C21 | 179.9° | 180.0° |
| O25 | C23 | C22 | C24 | 0.8° | 0.1° |
| C19 | N20 | C21 | H6 | 180.0° | 180.0° |
| C19 | N20 | C21 | C22 | 0.5° | 0.3° |
| C19 | N20 | C21 | H5 | 179.5° | 180.0° |
| C23 | C22 | C21 | N20 | 0.2° | 0.3° |
| C23 | C22 | C21 | C24 | 179.3° | 179.9° |
| C23 | C22 | C24 | C26 | 58.2° | 115.0° |
| C23 | C22 | C24 | C30 | 122.1° | 64.7° |
| C23 | C22 | C21 | H5 | 179.8° | 180.0° |
| N20 | C21 | C22 | H5 | 180.0° | 179.7° |
| N20 | C21 | C22 | C24 | 179.1° | 179.8° |
| C21 | N20 | C19 | H4 | 179.9° | 180.0° |
| C21 | C22 | C24 | C26 | 122.5° | 65.1° |
| C21 | C22 | C24 | C30 | 57.2° | 115.2° |
| C22 | C21 | N20 | H6 | 179.5° | 179.7° |
| C22 | C24 | C26 | C30 | 179.7° | 179.7° |
| C22 | C24 | C26 | C27 | 179.8° | 180.0° |
| C22 | C24 | C30 | C29 | 179.7° | 179.8° |
| C24 | C22 | C21 | H5 | 0.9° | 0.1° |
| C22 | C24 | C26 | H7 | 0.2° | 0.1° |
| C22 | C24 | C30 | H12 | 0.3° | 0.0° |
| C24 | C26 | C27 | H7 | 180.0° | 179.9° |
| C26 | C24 | C30 | C29 | 0.1° | 0.5° |
| C24 | C26 | C27 | C28 | 0.5° | 0.0° |
| C24 | C26 | C27 | H8 | 179.5° | 180.0° |
| C26 | C24 | C30 | H12 | 179.9° | 179.7° |
| C30 | C24 | C26 | C27 | 0.5° | 0.3° |
| C24 | C30 | C29 | H12 | 180.0° | 179.8° |
| C24 | C30 | C29 | C28 | 0.5° | 0.5° |
| C30 | C24 | C26 | H7 | 179.5° | 179.8° |
| C24 | C30 | C29 | H9 | 179.5° | 179.7° |
| C26 | C27 | C28 | H8 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C26 | C27 | C28 | F31 | 179.3° | 180.0° |
| C30 | C29 | C28 | C27 | 0.5° | 0.3° |
| C30 | C29 | C28 | H9 | 180.0° | 179.8° |
| C30 | C29 | C28 | F31 | 179.8° | 179.8° |
| C27 | C28 | C29 | F31 | 179.4° | 179.9° |
| C28 | C27 | C26 | H7 | 179.5° | 179.9° |
| C27 | C28 | C29 | H9 | 179.5° | 179.9° |
| C29 | C28 | C27 | H8 | 179.9° | 180.0° |
| C28 | C29 | C30 | H12 | 179.5° | 179.7° |
| F31 | C28 | C27 | H8 | 0.7° | 0.1° |
| F31 | C28 | C29 | H9 | 0.2° | 0.0° |
| H1 | C11 | C12 | H2 | 1.0° | 0.0° |
| H4 | C19 | N20 | H6 | 0.1° | 0.0° |
| H5 | C21 | N20 | H6 | 0.5° | 0.0° |
| H7 | C26 | C27 | H8 | 0.5° | 0.1° |
| H9 | C29 | C30 | H12 | 0.5° | 0.1° |
| H10 | C05 | C06 | H11 | 1.1° | 0.0° |
