5EP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N23 | C20 | sing | 1.39Å | 1.49Å | |
| C19 | C20 | doub | 1.39Å | 1.36Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.43Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C22 | sing | 1.40Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.43Å | 1.53Å | |
| C16 | C15 | trip | 1.17Å | 1.18Å | |
| C15 | C14 | sing | 1.38Å | 1.54Å | |
| C14 | C13 | trip | 1.17Å | 1.18Å | |
| O01 | C02 | doub | 1.21Å | 1.25Å | |
| C11 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.43Å | 1.51Å | |
| C10 | C09 | sing | 1.40Å | 1.43Å | Aromatic |
| O04 | N03 | sing | 1.42Å | 1.36Å | |
| C12 | C24 | doub | 1.40Å | 1.43Å | Aromatic |
| C02 | N03 | sing | 1.35Å | 1.40Å | |
| C02 | C05 | sing | 1.51Å | 1.43Å | |
| C29 | C26 | sing | 1.53Å | 1.40Å | |
| N06 | C05 | sing | 1.47Å | 1.36Å | |
| N06 | C07 | sing | 1.35Å | 1.47Å | |
| C09 | C07 | sing | 1.48Å | 1.55Å | |
| C09 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C05 | C26 | sing | 1.53Å | 1.31Å | |
| C24 | C25 | sing | 1.36Å | 1.38Å | Aromatic |
| C07 | O08 | doub | 1.22Å | 1.24Å | |
| C26 | C27 | sing | 1.53Å | 1.45Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| N23 | H16 | sing | 0.97Å | 1.00Å | |
| N23 | H17 | sing | 0.97Å | 1.00Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| 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 | C20 | C19 | 119.6° | 119.9° |
| N23 | C20 | C21 | 120.2° | 119.9° |
| C20 | N23 | H16 | 109.5° | 120.0° |
| C20 | N23 | H17 | 109.5° | 120.0° |
| C20 | C19 | C18 | 119.9° | 120.1° |
| C19 | C20 | C21 | 120.2° | 120.2° |
| C20 | C19 | H15 | 120.0° | 119.9° |
| C19 | C18 | C17 | 119.9° | 119.9° |
| C19 | C18 | H14 | 120.1° | 120.1° |
| C18 | C19 | H15 | 120.1° | 119.9° |
| C20 | C21 | C22 | 120.0° | 120.1° |
| C20 | C21 | H2 | 120.0° | 120.0° |
| C18 | C17 | C22 | 120.6° | 119.8° |
| C18 | C17 | C16 | 119.1° | 120.1° |
| C17 | C18 | H14 | 120.0° | 120.0° |
| C21 | C22 | C17 | 119.4° | 119.9° |
| C22 | C21 | H2 | 120.0° | 119.9° |
| C21 | C22 | H3 | 120.3° | 120.0° |
| C22 | C17 | C16 | 120.3° | 120.1° |
| C17 | C22 | H3 | 120.3° | 120.1° |
| C17 | C16 | C15 | 178.0° | 180.0° |
| C16 | C15 | C14 | 173.9° | 179.9° |
| C15 | C14 | C13 | 170.6° | 180.0° |
| C14 | C13 | C12 | 176.5° | 180.0° |
| O01 | C02 | N03 | 119.7° | 120.0° |
| O01 | C02 | C05 | 124.1° | 120.0° |
| C10 | C11 | C12 | 119.7° | 120.0° |
| C11 | C10 | C09 | 119.3° | 120.1° |
| C11 | C10 | H1 | 120.3° | 120.0° |
| C10 | C11 | H13 | 120.2° | 120.1° |
| C11 | C12 | C13 | 119.8° | 120.1° |
| C11 | C12 | C24 | 120.7° | 120.0° |
| C12 | C11 | H13 | 120.1° | 120.0° |
| C13 | C12 | C24 | 119.4° | 120.0° |
| C10 | C09 | C07 | 120.8° | 120.0° |
| C10 | C09 | C25 | 120.6° | 120.0° |
| C09 | C10 | H1 | 120.4° | 120.0° |
| O04 | N03 | C02 | 121.6° | 120.0° |
| O04 | N03 | H9 | 119.2° | 120.0° |
| N03 | O04 | H10 | 109.5° | 114.0° |
| C12 | C24 | C25 | 119.4° | 119.9° |
| C12 | C24 | H4 | 120.3° | 120.1° |
| N03 | C02 | C05 | 116.2° | 120.0° |
| C02 | N03 | H9 | 119.2° | 120.0° |
| C02 | C05 | N06 | 111.4° | 109.4° |
| C02 | C05 | C26 | 115.6° | 109.5° |
| C02 | C05 | H11 | 106.3° | 109.5° |
| C29 | C26 | C05 | 113.3° | 109.5° |
| C29 | C26 | C27 | 109.5° | 109.5° |
| C29 | C26 | H5 | 106.6° | 109.4° |
| C26 | C29 | H21 | 109.5° | 109.5° |
| C26 | C29 | H22 | 109.5° | 109.5° |
| C26 | C29 | H23 | 109.5° | 109.5° |
| C05 | N06 | C07 | 119.8° | 120.0° |
| N06 | C05 | C26 | 108.2° | 109.5° |
| N06 | C05 | H11 | 107.2° | 109.5° |
| C05 | N06 | H12 | 120.1° | 120.0° |
| N06 | C07 | C09 | 119.1° | 120.0° |
| N06 | C07 | O08 | 120.6° | 120.1° |
| C07 | N06 | H12 | 120.1° | 120.0° |
| C07 | C09 | C25 | 118.5° | 119.9° |
| C09 | C07 | O08 | 120.2° | 119.9° |
| C09 | C25 | C24 | 120.1° | 120.0° |
| C09 | C25 | H18 | 120.0° | 120.0° |
| C05 | C26 | C27 | 113.1° | 109.5° |
| C05 | C26 | H5 | 107.8° | 109.5° |
| C26 | C05 | H11 | 107.8° | 109.5° |
| C25 | C24 | H4 | 120.3° | 120.0° |
| C24 | C25 | H18 | 119.9° | 120.0° |
| C26 | C27 | C28 | 108.7° | 109.5° |
| C27 | C26 | H5 | 106.0° | 109.4° |
| C26 | C27 | H19 | 109.7° | 109.4° |
| C26 | C27 | H20 | 109.7° | 109.5° |
| C27 | C28 | H6 | 109.5° | 109.4° |
| C27 | C28 | H7 | 109.4° | 109.4° |
| C27 | C28 | H8 | 109.5° | 109.4° |
| C28 | C27 | H19 | 109.7° | 109.5° |
| C28 | C27 | H20 | 109.7° | 109.5° |
| H6 | C28 | H7 | 109.5° | 109.4° |
| H6 | C28 | H8 | 109.5° | 109.6° |
| H7 | C28 | H8 | 109.5° | 109.5° |
| H16 | N23 | H17 | 109.5° | 120.0° |
| H19 | C27 | H20 | 109.5° | 109.5° |
| H21 | C29 | H22 | 109.4° | 109.4° |
| H21 | C29 | H23 | 109.5° | 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 | C20 | C19 | C21 | 179.8° | 179.6° |
| N23 | C20 | C19 | C18 | 179.8° | 179.8° |
| N23 | C20 | C21 | C22 | 179.9° | 180.0° |
| N23 | C20 | C21 | H2 | 0.0° | 0.4° |
| N23 | C20 | C19 | H15 | 0.2° | 0.4° |
| C20 | N23 | H16 | H17 | 120.0° | 179.9° |
| C20 | C19 | C18 | H15 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.2° | 0.1° |
| C19 | C20 | C21 | C22 | 0.1° | 0.4° |
| C19 | C20 | C21 | H2 | 179.9° | 180.0° |
| C20 | C19 | C18 | H14 | 179.8° | 179.9° |
| C19 | C20 | N23 | H16 | 180.0° | 179.5° |
| C19 | C20 | N23 | H17 | 60.0° | 0.4° |
| C18 | C19 | C20 | C21 | 0.0° | 0.2° |
| C19 | C18 | C17 | H14 | 180.0° | 179.9° |
| C19 | C18 | C17 | C22 | 0.3° | 0.1° |
| C19 | C18 | C17 | C16 | 179.7° | 179.7° |
| C20 | C21 | C22 | H2 | 180.0° | 179.5° |
| C20 | C21 | C22 | C17 | 0.0° | 0.5° |
| C20 | C21 | C22 | H3 | 180.0° | 179.5° |
| C21 | C20 | C19 | H15 | 180.0° | 180.0° |
| C21 | C20 | N23 | H16 | 0.2° | 0.1° |
| C21 | C20 | N23 | H17 | 120.2° | 180.0° |
| C18 | C17 | C22 | C21 | 0.2° | 0.2° |
| C18 | C17 | C22 | C16 | 180.0° | 179.8° |
| C18 | C17 | C16 | C15 | 19.9° | 62.4° |
| C18 | C17 | C22 | H3 | 179.8° | 179.8° |
| C17 | C18 | C19 | H15 | 179.8° | 179.8° |
| C21 | C22 | C17 | H3 | 180.0° | 179.9° |
| C21 | C22 | C17 | C16 | 179.8° | 180.0° |
| C22 | C17 | C16 | C15 | 160.2° | 117.4° |
| C17 | C22 | C21 | H2 | 180.0° | 180.0° |
| C22 | C17 | C18 | H14 | 179.7° | 180.0° |
| C17 | C16 | C15 | C14 | 34.8° | 111.3° |
| C16 | C17 | C22 | H3 | 0.2° | 0.1° |
| C16 | C17 | C18 | H14 | 0.3° | 0.2° |
| C16 | C15 | C14 | C13 | 2.7° | 177.5° |
| C15 | C14 | C13 | C12 | 36.8° | 67.9° |
| C14 | C13 | C12 | C11 | 35.5° | 59.3° |
| C14 | C13 | C12 | C24 | 145.2° | 120.7° |
| O01 | C02 | N03 | O04 | 1.5° | 0.1° |
| O01 | C02 | N03 | C05 | 178.9° | 179.9° |
| O01 | C02 | C05 | N06 | 47.0° | 0.0° |
| O01 | C02 | C05 | C26 | 77.1° | 120.0° |
| O01 | C02 | N03 | H9 | 178.5° | 180.0° |
| O01 | C02 | C05 | H11 | 163.4° | 120.0° |
| C10 | C11 | C12 | H13 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.5° | 180.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C11 | C12 | C24 | 0.3° | 0.0° |
| C11 | C10 | C09 | C07 | 178.6° | 179.7° |
| C11 | C10 | C09 | C25 | 1.8° | 0.2° |
| C11 | C12 | C13 | C24 | 179.3° | 180.0° |
| C12 | C11 | C10 | C09 | 1.0° | 0.0° |
| C11 | C12 | C24 | C25 | 0.3° | 0.3° |
| C12 | C11 | C10 | H1 | 179.0° | 179.7° |
| C11 | C12 | C24 | H4 | 179.7° | 179.7° |
| C13 | C12 | C24 | C25 | 179.6° | 179.8° |
| C13 | C12 | C24 | H4 | 0.4° | 0.3° |
| C13 | C12 | C11 | H13 | 0.5° | 0.0° |
| C10 | C09 | C07 | N06 | 15.4° | 180.0° |
| C10 | C09 | C07 | C25 | 176.9° | 180.0° |
| C10 | C09 | C25 | C24 | 1.9° | 0.5° |
| C10 | C09 | C07 | O08 | 167.7° | 0.0° |
| C09 | C10 | C11 | H13 | 179.0° | 180.0° |
| C10 | C09 | C25 | H18 | 178.1° | 180.0° |
| O04 | N03 | C02 | H9 | 180.0° | 179.9° |
| O04 | N03 | C02 | C05 | 179.6° | 180.0° |
| C12 | C24 | C25 | C09 | 1.1° | 0.5° |
| C12 | C24 | C25 | H4 | 180.0° | 179.5° |
| C24 | C12 | C11 | H13 | 179.7° | 180.0° |
| C12 | C24 | C25 | H18 | 178.9° | 180.0° |
| N03 | C02 | C05 | N06 | 131.9° | 179.9° |
| N03 | C02 | C05 | C26 | 104.1° | 60.0° |
| C02 | N03 | O04 | H10 | 0.7° | 179.9° |
| N03 | C02 | C05 | H11 | 15.4° | 60.0° |
| C02 | C05 | C26 | C29 | 68.5° | 180.0° |
| C02 | C05 | N06 | C26 | 128.1° | 120.0° |
| C02 | C05 | N06 | H11 | 115.9° | 120.0° |
| C02 | C05 | N06 | C07 | 140.2° | 155.0° |
| C02 | C05 | C26 | H11 | 118.7° | 120.0° |
| C02 | C05 | C26 | C27 | 57.0° | 60.0° |
| C02 | C05 | C26 | H5 | 173.8° | 60.0° |
| C05 | C02 | N03 | H9 | 0.4° | 0.1° |
| C02 | C05 | N06 | H12 | 39.8° | 25.0° |
| C29 | C26 | C05 | N06 | 57.2° | 60.0° |
| C29 | C26 | C05 | C27 | 125.5° | 120.0° |
| C29 | C26 | C05 | H5 | 117.7° | 120.0° |
| C29 | C26 | C27 | H5 | 114.6° | 119.9° |
| C29 | C26 | C27 | C28 | 154.5° | 64.9° |
| C29 | C26 | C05 | H11 | 172.8° | 60.0° |
| C29 | C26 | C27 | H19 | 34.7° | 55.0° |
| C29 | C26 | C27 | H20 | 85.6° | 175.0° |
| C26 | C29 | H21 | H22 | 120.0° | 120.0° |
| C26 | C29 | H21 | H23 | 120.0° | 120.0° |
| C26 | C29 | H22 | H23 | 120.0° | 120.0° |
| C05 | N06 | C07 | H12 | 180.0° | 179.9° |
| C05 | N06 | C07 | C09 | 177.8° | 180.0° |
| N06 | C05 | C26 | H11 | 115.6° | 120.0° |
| C05 | N06 | C07 | O08 | 1.0° | 0.1° |
| N06 | C05 | C26 | C27 | 177.3° | 60.0° |
| N06 | C05 | C26 | H5 | 60.4° | 180.0° |
| N06 | C07 | C09 | O08 | 176.9° | 180.0° |
| N06 | C07 | C09 | C25 | 161.5° | 0.1° |
| C07 | N06 | C05 | C26 | 91.7° | 84.9° |
| C07 | N06 | C05 | H11 | 24.2° | 35.1° |
| C07 | C09 | C25 | C24 | 178.8° | 179.5° |
| C07 | C09 | C10 | H1 | 1.4° | 0.0° |
| C09 | C07 | N06 | H12 | 2.2° | 0.1° |
| C07 | C09 | C25 | H18 | 1.2° | 0.0° |
| C09 | C25 | C24 | H18 | 180.0° | 179.5° |
| C25 | C09 | C07 | O08 | 15.4° | 180.0° |
| C25 | C09 | C10 | H1 | 178.2° | 180.0° |
| C09 | C25 | C24 | H4 | 178.9° | 180.0° |
| C05 | C26 | C27 | H5 | 117.9° | 120.0° |
| C05 | C26 | C27 | C28 | 78.0° | 175.0° |
| C26 | C05 | N06 | H12 | 88.3° | 95.0° |
| C05 | C26 | C27 | H19 | 162.2° | 65.0° |
| C05 | C26 | C27 | H20 | 41.9° | 55.0° |
| C05 | C26 | C29 | H21 | 180.0° | 60.0° |
| C05 | C26 | C29 | H22 | 60.0° | 180.0° |
| C05 | C26 | C29 | H23 | 60.0° | 60.0° |
| O08 | C07 | N06 | H12 | 179.0° | 180.0° |
| C26 | C27 | C28 | H19 | 119.9° | 119.9° |
| C26 | C27 | C28 | H20 | 119.9° | 120.0° |
| C26 | C27 | C28 | H6 | 180.0° | 60.0° |
| C26 | C27 | C28 | H7 | 60.0° | 179.9° |
| C26 | C27 | C28 | H8 | 60.0° | 60.1° |
| C27 | C26 | C05 | H11 | 61.7° | 180.0° |
| C26 | C27 | H19 | H20 | 120.4° | 120.0° |
| C27 | C26 | C29 | H21 | 52.6° | 60.0° |
| C27 | C26 | C29 | H22 | 172.6° | 60.0° |
| C27 | C26 | C29 | H23 | 67.4° | 180.0° |
| C28 | C27 | C26 | H5 | 40.0° | 55.0° |
| C27 | C28 | H6 | H7 | 120.0° | 119.9° |
| C27 | C28 | H6 | H8 | 120.0° | 120.0° |
| C27 | C28 | H7 | H8 | 120.0° | 120.0° |
| C28 | C27 | H19 | H20 | 120.3° | 120.0° |
| H1 | C10 | C11 | H13 | 1.0° | 0.3° |
| H2 | C21 | C22 | H3 | 0.0° | 0.1° |
| H4 | C24 | C25 | H18 | 1.1° | 0.5° |
| H5 | C26 | C05 | H11 | 55.1° | 60.0° |
| H5 | C26 | C27 | H19 | 79.9° | 174.9° |
| H5 | C26 | C27 | H20 | 159.8° | 65.1° |
| H5 | C26 | C29 | H21 | 61.6° | 179.9° |
| H5 | C26 | C29 | H22 | 58.4° | 60.0° |
| H5 | C26 | C29 | H23 | 178.4° | 60.1° |
| H6 | C28 | H7 | H8 | 120.0° | 120.1° |
| H6 | C28 | C27 | H19 | 60.1° | 59.9° |
| H6 | C28 | C27 | H20 | 60.1° | 179.9° |
| H7 | C28 | C27 | H19 | 179.9° | 60.0° |
| H7 | C28 | C27 | H20 | 59.9° | 60.0° |
| H8 | C28 | C27 | H19 | 59.9° | 180.0° |
| H8 | C28 | C27 | H20 | 179.9° | 60.0° |
| H9 | N03 | O04 | H10 | 179.3° | 0.0° |
| H11 | C05 | N06 | H12 | 155.8° | 145.0° |
| H14 | C18 | C19 | H15 | 0.2° | 0.2° |
| H21 | C29 | H22 | H23 | 120.0° | 120.0° |
