5EM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N23 | C22 | sing | 1.39Å | 1.42Å | |
| C22 | C24 | doub | 1.39Å | 1.48Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.43Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.44Å | Aromatic |
| C25 | C19 | doub | 1.40Å | 1.45Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.45Å | Aromatic |
| C19 | C18 | sing | 1.43Å | 1.49Å | |
| C18 | C17 | trip | 1.17Å | 1.20Å | |
| C17 | C16 | sing | 1.38Å | 1.47Å | |
| C16 | C15 | trip | 1.17Å | 1.21Å | |
| C15 | C12 | sing | 1.43Å | 1.48Å | |
| C13 | C12 | doub | 1.40Å | 1.43Å | Aromatic |
| C13 | C14 | sing | 1.37Å | 1.45Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C09 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | C10 | doub | 1.37Å | 1.46Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C09 | C07 | sing | 1.48Å | 1.50Å | |
| C07 | O08 | doub | 1.22Å | 1.22Å | |
| C07 | N06 | sing | 1.35Å | 1.43Å | |
| O04 | N03 | sing | 1.42Å | 1.33Å | |
| N03 | C02 | sing | 1.35Å | 1.40Å | |
| N06 | C05 | sing | 1.47Å | 1.44Å | |
| C02 | O01 | doub | 1.21Å | 1.25Å | |
| C02 | C05 | sing | 1.51Å | 1.51Å | |
| C05 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | C28 | sing | 1.53Å | 1.51Å | |
| C26 | N27 | sing | 1.47Å | 1.45Å | |
| C26 | C29 | sing | 1.53Å | 1.50Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| N03 | H9 | sing | 0.97Å | 1.00Å | |
| O04 | H10 | sing | 0.97Å | 0.95Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| N06 | H12 | sing | 0.97Å | 1.00Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| N23 | H15 | sing | 0.97Å | 1.00Å | |
| N23 | H16 | sing | 0.97Å | 1.00Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| N27 | H18 | sing | 1.01Å | 1.00Å | |
| N27 | H19 | sing | 1.01Å | 1.00Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N23 | C22 | C24 | 118.9° | 119.9° |
| N23 | C22 | C21 | 119.6° | 119.9° |
| C22 | N23 | H15 | 109.5° | 120.0° |
| C22 | N23 | H16 | 109.5° | 120.0° |
| C24 | C22 | C21 | 121.6° | 120.2° |
| C22 | C24 | C25 | 119.2° | 120.1° |
| C22 | C24 | H5 | 120.4° | 120.0° |
| C22 | C21 | C20 | 119.6° | 120.1° |
| C22 | C21 | H4 | 120.2° | 120.0° |
| C24 | C25 | C19 | 118.1° | 119.9° |
| C25 | C24 | H5 | 120.4° | 120.0° |
| C24 | C25 | H17 | 121.0° | 120.0° |
| C21 | C20 | C19 | 118.3° | 119.9° |
| C21 | C20 | H3 | 120.9° | 120.1° |
| C20 | C21 | H4 | 120.2° | 119.9° |
| C25 | C19 | C20 | 123.2° | 119.8° |
| C25 | C19 | C18 | 118.5° | 120.1° |
| C19 | C25 | H17 | 120.9° | 120.0° |
| C20 | C19 | C18 | 118.3° | 120.1° |
| C19 | C20 | H3 | 120.8° | 120.0° |
| C19 | C18 | C17 | 177.5° | 180.0° |
| C18 | C17 | C16 | 173.8° | 180.0° |
| C17 | C16 | C15 | 177.0° | 179.9° |
| C16 | C15 | C12 | 179.2° | 179.9° |
| C15 | C12 | C13 | 120.2° | 120.0° |
| C15 | C12 | C11 | 116.5° | 120.0° |
| C12 | C13 | C14 | 118.5° | 120.0° |
| C13 | C12 | C11 | 123.2° | 120.0° |
| C12 | C13 | H2 | 120.7° | 120.1° |
| C13 | C14 | C09 | 119.0° | 120.0° |
| C14 | C13 | H2 | 120.7° | 120.0° |
| C13 | C14 | H14 | 120.5° | 119.9° |
| C12 | C11 | C10 | 117.5° | 119.9° |
| C12 | C11 | H13 | 121.3° | 120.0° |
| C14 | C09 | C10 | 121.7° | 120.0° |
| C14 | C09 | C07 | 119.7° | 120.0° |
| C09 | C14 | H14 | 120.5° | 120.0° |
| C11 | C10 | C09 | 120.0° | 120.1° |
| C11 | C10 | H1 | 120.0° | 119.9° |
| C10 | C11 | H13 | 121.2° | 120.0° |
| C10 | C09 | C07 | 118.6° | 120.0° |
| C09 | C10 | H1 | 120.0° | 120.0° |
| C09 | C07 | O08 | 121.8° | 120.0° |
| C09 | C07 | N06 | 116.3° | 120.0° |
| O08 | C07 | N06 | 121.0° | 120.0° |
| C07 | N06 | C05 | 118.3° | 120.0° |
| C07 | N06 | H12 | 120.8° | 120.0° |
| O04 | N03 | C02 | 115.6° | 120.0° |
| O04 | N03 | H9 | 122.2° | 120.0° |
| N03 | O04 | H10 | 109.5° | 114.0° |
| N03 | C02 | O01 | 118.8° | 119.9° |
| N03 | C02 | C05 | 118.6° | 120.0° |
| C02 | N03 | H9 | 122.2° | 120.0° |
| N06 | C05 | C02 | 107.1° | 109.5° |
| N06 | C05 | C26 | 111.2° | 109.5° |
| N06 | C05 | H11 | 109.8° | 109.4° |
| C05 | N06 | H12 | 120.9° | 120.0° |
| O01 | C02 | C05 | 122.6° | 120.1° |
| C02 | C05 | C26 | 111.3° | 109.5° |
| C02 | C05 | H11 | 108.9° | 109.5° |
| C05 | C26 | C28 | 112.8° | 109.4° |
| C05 | C26 | N27 | 108.4° | 109.4° |
| C05 | C26 | C29 | 106.6° | 109.4° |
| C26 | C05 | H11 | 108.6° | 109.4° |
| C28 | C26 | N27 | 110.2° | 109.5° |
| C28 | C26 | C29 | 109.7° | 109.5° |
| C26 | C28 | H6 | 109.5° | 109.5° |
| C26 | C28 | H7 | 109.5° | 109.5° |
| C26 | C28 | H8 | 109.4° | 109.5° |
| N27 | C26 | C29 | 109.1° | 109.5° |
| C26 | N27 | H18 | 109.5° | 111.1° |
| C26 | N27 | H19 | 109.4° | 111.0° |
| C26 | C29 | H21 | 109.5° | 109.5° |
| C26 | C29 | H22 | 109.5° | 109.5° |
| C26 | C29 | H23 | 109.5° | 109.4° |
| H6 | C28 | H7 | 109.5° | 109.5° |
| H6 | C28 | H8 | 109.5° | 109.4° |
| H7 | C28 | H8 | 109.5° | 109.5° |
| H15 | N23 | H16 | 109.4° | 120.0° |
| H18 | N27 | H19 | 109.5° | 111.0° |
| H21 | C29 | H22 | 109.5° | 109.5° |
| H21 | C29 | H23 | 109.4° | 109.5° |
| H22 | C29 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N23 | C22 | C24 | C21 | 179.9° | 179.9° |
| N23 | C22 | C24 | C25 | 179.7° | 180.0° |
| N23 | C22 | C21 | C20 | 179.9° | 180.0° |
| N23 | C22 | C21 | H4 | 0.1° | 0.1° |
| N23 | C22 | C24 | H5 | 0.3° | 0.0° |
| C22 | N23 | H15 | H16 | 120.0° | 180.0° |
| C22 | C24 | C25 | H5 | 180.0° | 179.9° |
| C24 | C22 | C21 | C20 | 0.0° | 0.1° |
| C22 | C24 | C25 | C19 | 0.2° | 0.0° |
| C24 | C22 | C21 | H4 | 180.0° | 180.0° |
| C24 | C22 | N23 | H15 | 180.0° | 0.0° |
| C24 | C22 | N23 | H16 | 60.0° | 180.0° |
| C22 | C24 | C25 | H17 | 179.8° | 180.0° |
| C21 | C22 | C24 | C25 | 0.4° | 0.1° |
| C22 | C21 | C20 | H4 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.6° | 0.1° |
| C22 | C21 | C20 | H3 | 179.4° | 179.8° |
| C21 | C22 | C24 | H5 | 179.6° | 180.0° |
| C21 | C22 | N23 | H15 | 0.1° | 180.0° |
| C21 | C22 | N23 | H16 | 119.9° | 0.0° |
| C24 | C25 | C19 | H17 | 180.0° | 180.0° |
| C24 | C25 | C19 | C20 | 0.5° | 0.0° |
| C24 | C25 | C19 | C18 | 179.7° | 179.7° |
| C21 | C20 | C19 | C25 | 0.9° | 0.0° |
| C21 | C20 | C19 | H3 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 179.2° | 179.7° |
| C25 | C19 | C20 | C18 | 179.9° | 179.7° |
| C25 | C19 | C18 | C17 | 10.7° | 117.6° |
| C25 | C19 | C20 | H3 | 179.1° | 179.7° |
| C19 | C25 | C24 | H5 | 179.8° | 180.0° |
| C20 | C19 | C18 | C17 | 169.2° | 62.7° |
| C19 | C20 | C21 | H4 | 179.3° | 180.0° |
| C20 | C19 | C25 | H17 | 179.5° | 180.0° |
| C19 | C18 | C17 | C16 | 6.0° | 125.9° |
| C18 | C19 | C20 | H3 | 0.7° | 0.0° |
| C18 | C19 | C25 | H17 | 0.4° | 0.2° |
| C18 | C17 | C16 | C15 | 10.4° | 137.8° |
| C17 | C16 | C15 | C12 | 171.9° | 170.9° |
| C16 | C15 | C12 | C13 | 163.0° | 42.7° |
| C16 | C15 | C12 | C11 | 20.6° | 137.6° |
| C15 | C12 | C13 | C11 | 176.2° | 179.7° |
| C15 | C12 | C13 | C14 | 178.5° | 180.0° |
| C15 | C12 | C11 | C10 | 179.4° | 179.7° |
| C15 | C12 | C13 | H2 | 1.5° | 0.1° |
| C15 | C12 | C11 | H13 | 0.6° | 0.3° |
| C12 | C13 | C14 | H2 | 180.0° | 179.9° |
| C12 | C13 | C14 | C09 | 1.0° | 0.3° |
| C13 | C12 | C11 | C10 | 3.1° | 0.0° |
| C13 | C12 | C11 | H13 | 176.9° | 180.0° |
| C12 | C13 | C14 | H14 | 179.0° | 180.0° |
| C14 | C13 | C12 | C11 | 2.3° | 0.3° |
| C13 | C14 | C09 | H14 | 180.0° | 179.7° |
| C13 | C14 | C09 | C10 | 0.7° | 0.0° |
| C13 | C14 | C09 | C07 | 178.4° | 180.0° |
| C12 | C11 | C10 | H13 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 2.7° | 0.2° |
| C12 | C11 | C10 | H1 | 177.3° | 180.0° |
| C11 | C12 | C13 | H2 | 177.7° | 179.8° |
| C14 | C09 | C10 | C11 | 1.6° | 0.2° |
| C14 | C09 | C10 | C07 | 179.1° | 180.0° |
| C14 | C09 | C07 | O08 | 15.6° | 180.0° |
| C14 | C09 | C07 | N06 | 175.4° | 0.0° |
| C14 | C09 | C10 | H1 | 178.4° | 180.0° |
| C09 | C14 | C13 | H2 | 179.0° | 179.8° |
| C11 | C10 | C09 | H1 | 180.0° | 179.8° |
| C11 | C10 | C09 | C07 | 177.6° | 179.8° |
| C10 | C09 | C07 | O08 | 163.5° | 0.0° |
| C10 | C09 | C07 | N06 | 5.4° | 180.0° |
| C09 | C10 | C11 | H13 | 177.4° | 179.8° |
| C10 | C09 | C14 | H14 | 179.3° | 179.8° |
| C09 | C07 | O08 | N06 | 168.5° | 180.0° |
| C09 | C07 | N06 | C05 | 178.2° | 180.0° |
| C07 | C09 | C10 | H1 | 2.4° | 0.0° |
| C09 | C07 | N06 | H12 | 1.8° | 0.0° |
| C07 | C09 | C14 | H14 | 1.6° | 0.3° |
| O08 | C07 | N06 | C05 | 12.7° | 0.0° |
| O08 | C07 | N06 | H12 | 167.3° | 180.0° |
| C07 | N06 | C05 | H12 | 180.0° | 180.0° |
| C07 | N06 | C05 | C02 | 129.4° | 155.0° |
| C07 | N06 | C05 | C26 | 108.9° | 85.0° |
| C07 | N06 | C05 | H11 | 11.3° | 34.9° |
| O04 | N03 | C02 | H9 | 180.0° | 180.0° |
| O04 | N03 | C02 | O01 | 2.5° | 0.0° |
| O04 | N03 | C02 | C05 | 176.5° | 180.0° |
| N03 | C02 | C05 | N06 | 123.9° | 180.0° |
| N03 | C02 | O01 | C05 | 179.0° | 180.0° |
| N03 | C02 | C05 | C26 | 114.4° | 60.0° |
| C02 | N03 | O04 | H10 | 1.2° | 180.0° |
| N03 | C02 | C05 | H11 | 5.2° | 60.0° |
| N06 | C05 | C02 | O01 | 57.1° | 0.0° |
| N06 | C05 | C02 | C26 | 121.7° | 120.0° |
| N06 | C05 | C02 | H11 | 118.7° | 120.0° |
| N06 | C05 | C26 | H11 | 120.9° | 119.9° |
| N06 | C05 | C26 | C28 | 47.1° | 59.9° |
| N06 | C05 | C26 | N27 | 75.2° | 180.0° |
| N06 | C05 | C26 | C29 | 167.5° | 60.0° |
| O01 | C02 | C05 | C26 | 64.6° | 120.0° |
| O01 | C02 | N03 | H9 | 177.5° | 180.0° |
| O01 | C02 | C05 | H11 | 175.8° | 120.0° |
| C02 | C05 | C26 | H11 | 119.8° | 120.0° |
| C02 | C05 | C26 | C28 | 72.2° | 180.0° |
| C02 | C05 | C26 | N27 | 165.5° | 60.0° |
| C02 | C05 | C26 | C29 | 48.2° | 60.0° |
| C05 | C02 | N03 | H9 | 3.5° | 0.0° |
| C02 | C05 | N06 | H12 | 50.7° | 25.0° |
| C05 | C26 | C28 | N27 | 121.2° | 120.0° |
| C05 | C26 | C28 | C29 | 118.6° | 119.9° |
| C05 | C26 | N27 | C29 | 115.7° | 120.0° |
| C05 | C26 | C28 | H6 | 180.0° | 60.0° |
| C05 | C26 | C28 | H7 | 60.0° | 60.0° |
| C05 | C26 | C28 | H8 | 60.0° | 180.0° |
| C26 | C05 | N06 | H12 | 71.1° | 95.0° |
| C05 | C26 | N27 | H18 | 180.0° | 60.0° |
| C05 | C26 | N27 | H19 | 60.0° | 176.0° |
| C05 | C26 | C29 | H21 | 180.0° | 60.0° |
| C05 | C26 | C29 | H22 | 60.0° | 60.0° |
| C05 | C26 | C29 | H23 | 60.0° | 180.0° |
| C28 | C26 | N27 | C29 | 120.5° | 120.1° |
| C26 | C28 | H6 | H7 | 120.0° | 120.1° |
| C26 | C28 | H6 | H8 | 120.0° | 120.0° |
| C26 | C28 | H7 | H8 | 120.0° | 120.0° |
| C28 | C26 | C05 | H11 | 168.0° | 60.0° |
| C28 | C26 | N27 | H18 | 56.2° | 59.9° |
| C28 | C26 | N27 | H19 | 176.2° | 64.0° |
| C28 | C26 | C29 | H21 | 57.6° | 59.9° |
| C28 | C26 | C29 | H22 | 62.4° | 180.0° |
| C28 | C26 | C29 | H23 | 177.6° | 60.1° |
| N27 | C26 | C28 | H6 | 58.8° | 59.9° |
| N27 | C26 | C28 | H7 | 61.3° | 180.0° |
| N27 | C26 | C28 | H8 | 178.8° | 60.0° |
| N27 | C26 | C05 | H11 | 45.7° | 60.0° |
| C26 | N27 | H18 | H19 | 120.0° | 123.9° |
| N27 | C26 | C29 | H21 | 63.2° | 180.0° |
| N27 | C26 | C29 | H22 | 176.8° | 60.0° |
| N27 | C26 | C29 | H23 | 56.8° | 60.0° |
| C29 | C26 | C28 | H6 | 61.3° | 180.0° |
| C29 | C26 | C28 | H7 | 178.6° | 59.9° |
| C29 | C26 | C28 | H8 | 58.6° | 60.1° |
| C29 | C26 | C05 | H11 | 71.6° | 180.0° |
| C29 | C26 | N27 | H18 | 64.3° | 180.0° |
| C29 | C26 | N27 | H19 | 55.7° | 56.1° |
| C26 | C29 | H21 | H22 | 120.0° | 120.0° |
| C26 | C29 | H21 | H23 | 120.0° | 120.0° |
| C26 | C29 | H22 | H23 | 120.0° | 120.0° |
| H1 | C10 | C11 | H13 | 2.6° | 0.0° |
| H2 | C13 | C14 | H14 | 1.0° | 0.1° |
| H3 | C20 | C21 | H4 | 0.6° | 0.3° |
| H5 | C24 | C25 | H17 | 0.2° | 0.1° |
| H6 | C28 | H7 | H8 | 120.0° | 119.9° |
| H9 | N03 | O04 | H10 | 178.8° | 0.1° |
| H11 | C05 | N06 | H12 | 168.7° | 145.1° |
| H21 | C29 | H22 | H23 | 119.9° | 120.0° |
