5EN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F29 | C28 | sing | 1.40Å | 1.33Å | |
| C28 | F30 | sing | 1.40Å | 1.33Å | |
| C28 | C26 | sing | 1.53Å | 1.50Å | |
| C31 | C26 | sing | 1.53Å | 1.49Å | |
| O27 | C26 | sing | 1.43Å | 1.38Å | |
| C26 | C05 | sing | 1.53Å | 1.47Å | |
| C05 | C02 | sing | 1.51Å | 1.47Å | |
| C05 | N06 | sing | 1.47Å | 1.39Å | |
| C02 | O01 | doub | 1.21Å | 1.22Å | |
| C02 | N03 | sing | 1.35Å | 1.42Å | |
| N06 | C07 | sing | 1.35Å | 1.43Å | |
| N03 | O04 | sing | 1.42Å | 1.30Å | |
| O08 | C07 | doub | 1.22Å | 1.22Å | |
| C07 | C09 | sing | 1.48Å | 1.48Å | |
| C25 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.37Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.37Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.43Å | 1.47Å | |
| C13 | C14 | trip | 1.17Å | 1.20Å | |
| C14 | C15 | sing | 1.38Å | 1.48Å | |
| C15 | C16 | trip | 1.17Å | 1.20Å | |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.43Å | 1.48Å | |
| C22 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | N21 | sing | 1.39Å | 1.43Å | |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| N03 | H5 | sing | 0.97Å | 1.00Å | |
| O04 | H6 | sing | 0.97Å | 0.95Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| N06 | H8 | sing | 0.97Å | 1.00Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| N21 | H12 | sing | 0.97Å | 1.00Å | |
| N21 | H13 | sing | 0.97Å | 1.00Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| O27 | H16 | sing | 0.97Å | 0.95Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F29 | C28 | F30 | 108.5° | 109.5° |
| F29 | C28 | C26 | 110.6° | 109.5° |
| F29 | C28 | H4 | 110.3° | 109.5° |
| F30 | C28 | C26 | 109.2° | 109.5° |
| F30 | C28 | H4 | 110.4° | 109.5° |
| C28 | C26 | C31 | 110.3° | 109.5° |
| C28 | C26 | O27 | 109.6° | 109.5° |
| C28 | C26 | C05 | 108.5° | 109.5° |
| C26 | C28 | H4 | 108.0° | 109.5° |
| C31 | C26 | O27 | 108.1° | 109.5° |
| C31 | C26 | C05 | 111.7° | 109.4° |
| C26 | C31 | H17 | 109.5° | 109.5° |
| C26 | C31 | H18 | 109.5° | 109.5° |
| C26 | C31 | H19 | 109.5° | 109.5° |
| O27 | C26 | C05 | 108.6° | 109.5° |
| C26 | O27 | H16 | 109.5° | 114.0° |
| C26 | C05 | C02 | 112.6° | 109.5° |
| C26 | C05 | N06 | 109.7° | 109.4° |
| C26 | C05 | H7 | 108.1° | 109.5° |
| C02 | C05 | N06 | 109.4° | 109.5° |
| C05 | C02 | O01 | 121.9° | 120.0° |
| C05 | C02 | N03 | 119.2° | 120.0° |
| C02 | C05 | H7 | 108.0° | 109.5° |
| C05 | N06 | C07 | 120.7° | 120.0° |
| N06 | C05 | H7 | 109.0° | 109.4° |
| C05 | N06 | H8 | 119.7° | 119.9° |
| O01 | C02 | N03 | 118.0° | 120.0° |
| C02 | N03 | O04 | 119.0° | 120.0° |
| C02 | N03 | H5 | 120.5° | 120.0° |
| N06 | C07 | O08 | 121.6° | 120.0° |
| N06 | C07 | C09 | 117.5° | 120.0° |
| C07 | N06 | H8 | 119.7° | 120.0° |
| O04 | N03 | H5 | 120.5° | 120.0° |
| N03 | O04 | H6 | 109.5° | 114.0° |
| O08 | C07 | C09 | 120.3° | 120.0° |
| C07 | C09 | C25 | 117.9° | 120.0° |
| C07 | C09 | C10 | 120.2° | 120.0° |
| C09 | C25 | C24 | 118.7° | 120.0° |
| C25 | C09 | C10 | 121.9° | 120.1° |
| C09 | C25 | H15 | 120.7° | 120.0° |
| C25 | C24 | C12 | 119.4° | 120.0° |
| C25 | C24 | H3 | 120.3° | 120.0° |
| C24 | C25 | H15 | 120.7° | 120.0° |
| C09 | C10 | C11 | 119.6° | 120.0° |
| C09 | C10 | H1 | 120.2° | 120.0° |
| C24 | C12 | C11 | 122.6° | 120.0° |
| C24 | C12 | C13 | 117.6° | 120.0° |
| C12 | C24 | H3 | 120.3° | 120.0° |
| C10 | C11 | C12 | 117.8° | 120.0° |
| C11 | C10 | H1 | 120.2° | 120.0° |
| C10 | C11 | H9 | 121.1° | 120.0° |
| C11 | C12 | C13 | 119.7° | 120.0° |
| C12 | C11 | H9 | 121.1° | 120.0° |
| C12 | C13 | C14 | 177.8° | 180.0° |
| C13 | C14 | C15 | 179.9° | 180.0° |
| C14 | C15 | C16 | 178.3° | 179.9° |
| C15 | C16 | C17 | 177.9° | 179.9° |
| C22 | C23 | C17 | 120.0° | 119.9° |
| C23 | C22 | C20 | 118.4° | 120.1° |
| C23 | C22 | H2 | 120.8° | 119.9° |
| C22 | C23 | H14 | 120.0° | 120.1° |
| C23 | C17 | C16 | 113.9° | 120.1° |
| C23 | C17 | C18 | 121.5° | 119.8° |
| C17 | C23 | H14 | 120.0° | 120.0° |
| C16 | C17 | C18 | 124.5° | 120.1° |
| C22 | C20 | N21 | 118.0° | 119.9° |
| C22 | C20 | C19 | 121.2° | 120.2° |
| C20 | C22 | H2 | 120.8° | 119.9° |
| C17 | C18 | C19 | 118.5° | 119.9° |
| C17 | C18 | H10 | 120.8° | 120.0° |
| N21 | C20 | C19 | 120.7° | 119.9° |
| C20 | N21 | H12 | 109.5° | 120.0° |
| C20 | N21 | H13 | 109.5° | 120.0° |
| C20 | C19 | C18 | 120.3° | 120.1° |
| C20 | C19 | H11 | 119.8° | 120.0° |
| C19 | C18 | H10 | 120.8° | 120.1° |
| C18 | C19 | H11 | 119.8° | 119.9° |
| H12 | N21 | H13 | 109.4° | 120.0° |
| H17 | C31 | H18 | 109.4° | 109.5° |
| H17 | C31 | H19 | 109.4° | 109.4° |
| H18 | C31 | H19 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F29 | C28 | F30 | C26 | 120.6° | 120.0° |
| F29 | C28 | F30 | H4 | 120.9° | 120.0° |
| F29 | C28 | C26 | H4 | 120.7° | 120.0° |
| F29 | C28 | C26 | C31 | 60.5° | 60.0° |
| F29 | C28 | C26 | O27 | 58.4° | 60.0° |
| F29 | C28 | C26 | C05 | 176.9° | 180.0° |
| F30 | C28 | C26 | H4 | 120.0° | 120.0° |
| F30 | C28 | C26 | C31 | 179.8° | 60.0° |
| F30 | C28 | C26 | O27 | 60.8° | 180.0° |
| F30 | C28 | C26 | C05 | 57.6° | 60.0° |
| C28 | C26 | C31 | O27 | 119.9° | 120.0° |
| C28 | C26 | C31 | C05 | 120.7° | 120.0° |
| C28 | C26 | O27 | C05 | 118.4° | 120.0° |
| C28 | C26 | C05 | C02 | 50.4° | 176.7° |
| C28 | C26 | C05 | N06 | 172.4° | 63.2° |
| C28 | C26 | C05 | H7 | 68.9° | 56.7° |
| C28 | C26 | O27 | H16 | 180.0° | 180.0° |
| C28 | C26 | C31 | H17 | 180.0° | 56.3° |
| C28 | C26 | C31 | H18 | 60.0° | 63.8° |
| C28 | C26 | C31 | H19 | 60.0° | 176.2° |
| C31 | C26 | O27 | C05 | 121.3° | 120.0° |
| C31 | C26 | C05 | C02 | 71.4° | 56.7° |
| C31 | C26 | C05 | N06 | 50.6° | 176.8° |
| C31 | C26 | C28 | H4 | 60.3° | 180.0° |
| C31 | C26 | C05 | H7 | 169.3° | 63.3° |
| C31 | C26 | O27 | H16 | 59.7° | 60.0° |
| C26 | C31 | H17 | H18 | 120.0° | 120.1° |
| C26 | C31 | H17 | H19 | 120.0° | 120.0° |
| C26 | C31 | H18 | H19 | 120.0° | 120.0° |
| O27 | C26 | C05 | C02 | 169.5° | 63.2° |
| O27 | C26 | C05 | N06 | 68.5° | 56.8° |
| O27 | C26 | C28 | H4 | 179.2° | 60.0° |
| O27 | C26 | C05 | H7 | 50.2° | 176.7° |
| O27 | C26 | C31 | H17 | 60.1° | 176.3° |
| O27 | C26 | C31 | H18 | 179.9° | 56.3° |
| O27 | C26 | C31 | H19 | 59.9° | 63.8° |
| C26 | C05 | C02 | N06 | 122.2° | 120.0° |
| C26 | C05 | C02 | H7 | 119.3° | 120.0° |
| C26 | C05 | N06 | H7 | 118.1° | 120.0° |
| C26 | C05 | C02 | O01 | 72.4° | 92.7° |
| C26 | C05 | C02 | N03 | 118.9° | 87.3° |
| C26 | C05 | N06 | C07 | 111.6° | 85.0° |
| C05 | C26 | C28 | H4 | 62.4° | 60.0° |
| C26 | C05 | N06 | H8 | 68.4° | 95.0° |
| C05 | C26 | O27 | H16 | 61.6° | 60.0° |
| C05 | C26 | C31 | H17 | 59.3° | 63.7° |
| C05 | C26 | C31 | H18 | 60.7° | 176.2° |
| C05 | C26 | C31 | H19 | 179.3° | 56.2° |
| C02 | C05 | N06 | H7 | 117.9° | 120.0° |
| C05 | C02 | O01 | N03 | 168.8° | 180.0° |
| C02 | C05 | N06 | C07 | 124.4° | 155.0° |
| C05 | C02 | N03 | O04 | 177.9° | 174.8° |
| C05 | C02 | N03 | H5 | 2.1° | 5.3° |
| C02 | C05 | N06 | H8 | 55.6° | 25.0° |
| N06 | C05 | C02 | O01 | 49.8° | 27.3° |
| N06 | C05 | C02 | N03 | 118.9° | 152.8° |
| C05 | N06 | C07 | H8 | 180.0° | 180.0° |
| C05 | N06 | C07 | O08 | 8.7° | 0.0° |
| C05 | N06 | C07 | C09 | 179.5° | 180.0° |
| O01 | C02 | N03 | O04 | 13.0° | 5.2° |
| O01 | C02 | N03 | H5 | 167.0° | 174.7° |
| O01 | C02 | C05 | H7 | 168.3° | 147.2° |
| C02 | N03 | O04 | H5 | 180.0° | 179.9° |
| C02 | N03 | O04 | H6 | 6.2° | 180.0° |
| N03 | C02 | C05 | H7 | 0.3° | 32.8° |
| N06 | C07 | O08 | C09 | 170.6° | 180.0° |
| N06 | C07 | C09 | C25 | 5.4° | 0.0° |
| N06 | C07 | C09 | C10 | 175.8° | 180.0° |
| C07 | N06 | C05 | H7 | 6.5° | 35.0° |
| O08 | C07 | C09 | C25 | 165.5° | 180.0° |
| O08 | C07 | C09 | C10 | 13.2° | 0.0° |
| O08 | C07 | N06 | H8 | 171.3° | 180.0° |
| C07 | C09 | C25 | C10 | 178.7° | 180.0° |
| C07 | C09 | C25 | C24 | 178.8° | 179.6° |
| C07 | C09 | C10 | C11 | 178.9° | 180.0° |
| C07 | C09 | C10 | H1 | 1.1° | 0.2° |
| C09 | C07 | N06 | H8 | 0.5° | 0.0° |
| C07 | C09 | C25 | H15 | 1.2° | 0.1° |
| C09 | C25 | C24 | H15 | 180.0° | 179.7° |
| C09 | C25 | C24 | C12 | 1.0° | 0.6° |
| C25 | C09 | C10 | C11 | 0.1° | 0.1° |
| C25 | C09 | C10 | H1 | 179.8° | 179.8° |
| C09 | C25 | C24 | H3 | 179.0° | 179.7° |
| C24 | C25 | C09 | C10 | 0.1° | 0.4° |
| C25 | C24 | C12 | H3 | 180.0° | 179.6° |
| C25 | C24 | C12 | C11 | 2.2° | 0.4° |
| C25 | C24 | C12 | C13 | 179.1° | 179.9° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.9° | 0.3° |
| C09 | C10 | C11 | H9 | 179.1° | 179.7° |
| C10 | C09 | C25 | H15 | 179.9° | 180.0° |
| C24 | C12 | C11 | C10 | 2.1° | 0.0° |
| C24 | C12 | C11 | C13 | 176.9° | 179.5° |
| C24 | C12 | C13 | C14 | 40.2° | 127.8° |
| C24 | C12 | C11 | H9 | 177.9° | 180.0° |
| C12 | C24 | C25 | H15 | 178.9° | 179.7° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.0° | 179.4° |
| C11 | C12 | C13 | C14 | 136.8° | 52.8° |
| C12 | C11 | C10 | H1 | 179.1° | 180.0° |
| C11 | C12 | C24 | H3 | 177.8° | 179.9° |
| C12 | C13 | C14 | C15 | 68.3° | 94.6° |
| C13 | C12 | C24 | H3 | 0.9° | 0.5° |
| C13 | C12 | C11 | H9 | 1.0° | 0.5° |
| C13 | C14 | C15 | C16 | 53.1° | 115.3° |
| C14 | C15 | C16 | C17 | 4.6° | 174.5° |
| C15 | C16 | C17 | C23 | 18.2° | 163.5° |
| C15 | C16 | C17 | C18 | 159.3° | 16.9° |
| C22 | C23 | C17 | H14 | 180.0° | 179.6° |
| C22 | C23 | C17 | C16 | 178.9° | 179.7° |
| C23 | C22 | C20 | H2 | 180.0° | 179.8° |
| C22 | C23 | C17 | C18 | 1.3° | 0.1° |
| C23 | C22 | C20 | N21 | 179.5° | 179.8° |
| C23 | C22 | C20 | C19 | 0.2° | 0.7° |
| C23 | C17 | C16 | C18 | 177.5° | 179.7° |
| C17 | C23 | C22 | C20 | 0.4° | 0.5° |
| C23 | C17 | C18 | C19 | 1.5° | 0.3° |
| C17 | C23 | C22 | H2 | 179.5° | 179.8° |
| C23 | C17 | C18 | H10 | 178.4° | 179.8° |
| C16 | C17 | C18 | C19 | 178.9° | 180.0° |
| C16 | C17 | C18 | H10 | 1.1° | 0.1° |
| C16 | C17 | C23 | H14 | 1.0° | 0.2° |
| C22 | C20 | N21 | C19 | 179.3° | 179.5° |
| C22 | C20 | C19 | C18 | 0.1° | 0.5° |
| C22 | C20 | C19 | H11 | 179.9° | 179.5° |
| C22 | C20 | N21 | H12 | 180.0° | 179.5° |
| C22 | C20 | N21 | H13 | 60.0° | 0.5° |
| C20 | C22 | C23 | H14 | 179.5° | 180.0° |
| C17 | C18 | C19 | C20 | 0.9° | 0.1° |
| C17 | C18 | C19 | H10 | 180.0° | 179.9° |
| C17 | C18 | C19 | H11 | 179.1° | 180.0° |
| C18 | C17 | C23 | H14 | 178.7° | 179.5° |
| N21 | C20 | C19 | C18 | 179.2° | 179.9° |
| N21 | C20 | C22 | H2 | 0.6° | 0.1° |
| N21 | C20 | C19 | H11 | 0.8° | 0.1° |
| C20 | N21 | H12 | H13 | 120.0° | 180.0° |
| C20 | C19 | C18 | H11 | 180.0° | 180.0° |
| C19 | C20 | C22 | H2 | 179.8° | 179.5° |
| C20 | C19 | C18 | H10 | 179.1° | 180.0° |
| C19 | C20 | N21 | H12 | 0.7° | 0.0° |
| C19 | C20 | N21 | H13 | 120.7° | 180.0° |
| H1 | C10 | C11 | H9 | 0.8° | 0.0° |
| H2 | C22 | C23 | H14 | 0.5° | 0.2° |
| H3 | C24 | C25 | H15 | 1.0° | 0.1° |
| H5 | N03 | O04 | H6 | 173.8° | 0.0° |
| H7 | C05 | N06 | H8 | 173.5° | 145.0° |
| H10 | C18 | C19 | H11 | 0.9° | 0.1° |
| H17 | C31 | H18 | H19 | 119.9° | 119.9° |
