EZI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C18 | sing | 1.36Å | 1.40Å | |
| C18 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.37Å | Aromatic |
| C15 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C14 | doub | 1.37Å | 1.38Å | Aromatic |
| C10 | N04 | sing | 1.36Å | 1.32Å | |
| C10 | C08 | doub | 1.41Å | 1.36Å | Aromatic |
| C14 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| N04 | C07 | doub | 1.30Å | 1.35Å | |
| C08 | C09 | sing | 1.47Å | 1.35Å | |
| C13 | C06 | sing | 1.53Å | 1.52Å | |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C07 | N03 | sing | 1.36Å | 1.36Å | |
| C09 | N03 | sing | 1.35Å | 1.32Å | |
| C09 | O01 | doub | 1.22Å | 1.18Å | |
| C12 | C06 | sing | 1.53Å | 1.52Å | |
| N03 | C11 | sing | 1.40Å | 1.45Å | |
| C11 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.40Å | 1.38Å | Aromatic |
| C20 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.43Å | 1.52Å | |
| C23 | N05 | trip | 1.14Å | 1.13Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| O02 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C18 | C15 | 119.8° | 119.7° |
| O02 | C18 | C19 | 120.0° | 119.6° |
| C18 | O02 | H15 | 109.5° | 114.0° |
| C15 | C18 | C19 | 120.2° | 120.7° |
| C18 | C15 | C10 | 119.7° | 119.5° |
| C18 | C15 | H4 | 120.1° | 120.2° |
| C18 | C19 | C14 | 120.0° | 120.6° |
| C18 | C19 | H14 | 120.0° | 119.7° |
| C15 | C10 | N04 | 120.1° | 121.6° |
| C15 | C10 | C08 | 120.1° | 119.3° |
| C10 | C15 | H4 | 120.1° | 120.3° |
| C19 | C14 | C08 | 119.7° | 119.8° |
| C19 | C14 | H12 | 120.1° | 120.1° |
| C14 | C19 | H14 | 120.0° | 119.7° |
| N04 | C10 | C08 | 119.8° | 119.1° |
| C10 | N04 | C07 | 120.5° | 121.6° |
| C10 | C08 | C14 | 120.2° | 120.1° |
| C10 | C08 | C09 | 119.8° | 118.0° |
| C14 | C08 | C09 | 120.0° | 121.9° |
| C08 | C14 | H12 | 120.1° | 120.1° |
| N04 | C07 | C06 | 118.7° | 118.3° |
| N04 | C07 | N03 | 120.0° | 123.3° |
| C08 | C09 | N03 | 120.5° | 117.5° |
| C08 | C09 | O01 | 119.5° | 121.2° |
| C13 | C06 | C07 | 109.4° | 109.5° |
| C13 | C06 | C12 | 109.6° | 109.5° |
| C06 | C13 | H1 | 109.5° | 109.5° |
| C06 | C13 | H2 | 109.5° | 109.5° |
| C06 | C13 | H3 | 109.5° | 109.4° |
| C13 | C06 | H8 | 109.5° | 109.5° |
| C06 | C07 | N03 | 121.4° | 118.3° |
| C07 | C06 | C12 | 109.5° | 109.5° |
| C07 | C06 | H8 | 109.4° | 109.4° |
| C07 | N03 | C09 | 119.6° | 120.6° |
| C07 | N03 | C11 | 121.6° | 119.7° |
| N03 | C09 | O01 | 120.0° | 121.3° |
| C09 | N03 | C11 | 118.8° | 119.7° |
| C12 | C06 | H8 | 109.4° | 109.4° |
| C06 | C12 | H9 | 109.5° | 109.5° |
| C06 | C12 | H10 | 109.5° | 109.5° |
| C06 | C12 | H11 | 109.5° | 109.5° |
| N03 | C11 | C17 | 117.0° | 120.0° |
| N03 | C11 | C16 | 123.1° | 119.9° |
| C17 | C11 | C16 | 119.9° | 120.2° |
| C11 | C17 | C21 | 120.7° | 120.1° |
| C11 | C17 | H5 | 119.7° | 120.0° |
| C11 | C16 | C20 | 119.5° | 120.0° |
| C11 | C16 | H13 | 120.2° | 120.0° |
| C17 | C21 | C22 | 119.5° | 119.9° |
| C21 | C17 | H5 | 119.6° | 119.9° |
| C17 | C21 | H7 | 120.2° | 120.0° |
| C16 | C20 | C22 | 120.1° | 119.9° |
| C16 | C20 | H6 | 120.0° | 120.0° |
| C20 | C16 | H13 | 120.2° | 120.0° |
| C21 | C22 | C20 | 120.3° | 119.9° |
| C21 | C22 | C23 | 118.4° | 120.0° |
| C22 | C21 | H7 | 120.2° | 120.1° |
| C20 | C22 | C23 | 121.3° | 120.1° |
| C22 | C20 | H6 | 119.9° | 120.1° |
| C22 | C23 | N05 | 179.4° | 179.9° |
| H1 | C13 | H2 | 109.4° | 109.5° |
| H1 | C13 | H3 | 109.5° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.4° |
| H9 | C12 | H11 | 109.4° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C18 | C15 | C19 | 179.9° | 180.0° |
| O02 | C18 | C15 | C10 | 179.9° | 180.0° |
| O02 | C18 | C19 | C14 | 179.8° | 179.7° |
| O02 | C18 | C15 | H4 | 0.1° | 0.0° |
| O02 | C18 | C19 | H14 | 0.2° | 0.0° |
| C18 | C15 | C10 | H4 | 180.0° | 180.0° |
| C15 | C18 | C19 | C14 | 0.3° | 0.3° |
| C18 | C15 | C10 | N04 | 179.9° | 180.0° |
| C18 | C15 | C10 | C08 | 0.2° | 0.3° |
| C15 | C18 | C19 | H14 | 179.7° | 180.0° |
| C15 | C18 | O02 | H15 | 180.0° | 89.9° |
| C19 | C18 | C15 | C10 | 0.1° | 0.0° |
| C18 | C19 | C14 | H14 | 180.0° | 179.7° |
| C18 | C19 | C14 | C08 | 0.1° | 0.3° |
| C19 | C18 | C15 | H4 | 179.9° | 180.0° |
| C18 | C19 | C14 | H12 | 179.9° | 179.8° |
| C19 | C18 | O02 | H15 | 0.1° | 90.1° |
| C15 | C10 | N04 | C08 | 179.7° | 179.7° |
| C15 | C10 | C08 | C14 | 0.3° | 0.3° |
| C15 | C10 | N04 | C07 | 180.0° | 179.7° |
| C15 | C10 | C08 | C09 | 180.0° | 179.7° |
| C19 | C14 | C08 | C10 | 0.2° | 0.0° |
| C19 | C14 | C08 | H12 | 180.0° | 180.0° |
| C19 | C14 | C08 | C09 | 179.9° | 180.0° |
| N04 | C10 | C08 | C14 | 180.0° | 180.0° |
| N04 | C10 | C08 | C09 | 0.3° | 0.0° |
| C10 | N04 | C07 | C06 | 179.8° | 180.0° |
| C10 | N04 | C07 | N03 | 0.6° | 0.0° |
| N04 | C10 | C15 | H4 | 0.2° | 0.0° |
| C10 | C08 | C14 | C09 | 179.7° | 180.0° |
| C08 | C10 | N04 | C07 | 0.3° | 0.0° |
| C10 | C08 | C09 | N03 | 0.7° | 0.0° |
| C10 | C08 | C09 | O01 | 179.7° | 180.0° |
| C08 | C10 | C15 | H4 | 179.8° | 179.7° |
| C10 | C08 | C14 | H12 | 179.8° | 180.0° |
| C14 | C08 | C09 | N03 | 179.7° | 180.0° |
| C14 | C08 | C09 | O01 | 0.0° | 0.0° |
| C08 | C14 | C19 | H14 | 179.9° | 180.0° |
| N04 | C07 | C06 | C13 | 59.9° | 27.6° |
| N04 | C07 | C06 | N03 | 179.6° | 179.9° |
| N04 | C07 | N03 | C09 | 0.9° | 0.1° |
| N04 | C07 | C06 | C12 | 60.2° | 92.5° |
| N04 | C07 | N03 | C11 | 178.7° | 180.0° |
| N04 | C07 | C06 | H8 | 179.9° | 147.6° |
| C08 | C09 | N03 | C07 | 0.9° | 0.1° |
| C08 | C09 | N03 | O01 | 179.6° | 180.0° |
| C08 | C09 | N03 | C11 | 178.9° | 180.0° |
| C09 | C08 | C14 | H12 | 0.2° | 0.0° |
| C13 | C06 | C07 | C12 | 120.1° | 120.0° |
| C13 | C06 | C07 | H8 | 119.9° | 120.0° |
| C13 | C06 | C07 | N03 | 120.5° | 152.5° |
| C13 | C06 | C12 | H8 | 120.0° | 120.0° |
| C06 | C13 | H1 | H2 | 120.0° | 120.0° |
| C06 | C13 | H1 | H3 | 120.0° | 120.0° |
| C06 | C13 | H2 | H3 | 120.0° | 120.0° |
| C13 | C06 | C12 | H9 | 180.0° | 60.0° |
| C13 | C06 | C12 | H10 | 60.0° | 180.0° |
| C13 | C06 | C12 | H11 | 60.0° | 60.0° |
| C06 | C07 | N03 | C09 | 179.5° | 180.0° |
| C07 | C06 | C12 | H8 | 119.9° | 119.9° |
| C06 | C07 | N03 | C11 | 1.7° | 0.1° |
| C07 | C06 | C13 | H1 | 180.0° | 60.0° |
| C07 | C06 | C13 | H2 | 60.0° | 180.0° |
| C07 | C06 | C13 | H3 | 60.0° | 60.0° |
| C07 | C06 | C12 | H9 | 59.9° | 180.0° |
| C07 | C06 | C12 | H10 | 180.0° | 60.0° |
| C07 | C06 | C12 | H11 | 60.1° | 60.0° |
| C07 | N03 | C09 | C11 | 177.9° | 179.9° |
| C07 | N03 | C09 | O01 | 179.4° | 180.0° |
| N03 | C07 | C06 | C12 | 119.4° | 87.4° |
| C07 | N03 | C11 | C17 | 98.1° | 84.9° |
| C07 | N03 | C11 | C16 | 82.5° | 95.1° |
| N03 | C07 | C06 | H8 | 0.5° | 32.5° |
| C09 | N03 | C11 | C17 | 79.8° | 95.0° |
| C09 | N03 | C11 | C16 | 99.6° | 85.0° |
| O01 | C09 | N03 | C11 | 1.5° | 0.0° |
| C12 | C06 | C13 | H1 | 59.9° | 180.0° |
| C12 | C06 | C13 | H2 | 179.9° | 60.0° |
| C12 | C06 | C13 | H3 | 60.1° | 60.0° |
| C06 | C12 | H9 | H10 | 120.0° | 120.0° |
| C06 | C12 | H9 | H11 | 120.0° | 120.0° |
| C06 | C12 | H10 | H11 | 120.0° | 120.0° |
| N03 | C11 | C17 | C16 | 179.4° | 180.0° |
| N03 | C11 | C17 | C21 | 179.9° | 180.0° |
| N03 | C11 | C16 | C20 | 180.0° | 179.4° |
| N03 | C11 | C17 | H5 | 0.1° | 0.3° |
| N03 | C11 | C16 | H13 | 0.0° | 0.0° |
| C11 | C17 | C21 | H5 | 180.0° | 179.7° |
| C17 | C11 | C16 | C20 | 0.6° | 0.6° |
| C11 | C17 | C21 | C22 | 0.1° | 0.3° |
| C11 | C17 | C21 | H7 | 179.9° | 179.8° |
| C17 | C11 | C16 | H13 | 179.4° | 180.0° |
| C16 | C11 | C17 | C21 | 0.4° | 0.0° |
| C11 | C16 | C20 | H13 | 180.0° | 179.4° |
| C11 | C16 | C20 | C22 | 0.4° | 0.9° |
| C16 | C11 | C17 | H5 | 179.6° | 179.7° |
| C11 | C16 | C20 | H6 | 179.6° | 179.7° |
| C17 | C21 | C22 | H7 | 180.0° | 180.0° |
| C17 | C21 | C22 | C20 | 0.0° | 0.0° |
| C17 | C21 | C22 | C23 | 179.9° | 180.0° |
| C16 | C20 | C22 | C21 | 0.1° | 0.6° |
| C16 | C20 | C22 | H6 | 180.0° | 179.5° |
| C16 | C20 | C22 | C23 | 179.7° | 179.5° |
| C21 | C22 | C20 | C23 | 179.9° | 180.0° |
| C21 | C22 | C23 | N05 | 1.6° | 170.1° |
| C22 | C21 | C17 | H5 | 179.9° | 180.0° |
| C21 | C22 | C20 | H6 | 179.9° | 180.0° |
| C20 | C22 | C23 | N05 | 178.3° | 9.9° |
| C20 | C22 | C21 | H7 | 180.0° | 180.0° |
| C22 | C20 | C16 | H13 | 179.6° | 179.7° |
| C23 | C22 | C20 | H6 | 0.2° | 0.0° |
| C23 | C22 | C21 | H7 | 0.1° | 0.0° |
| H1 | C13 | H2 | H3 | 120.0° | 120.0° |
| H1 | C13 | C06 | H8 | 60.1° | 60.0° |
| H2 | C13 | C06 | H8 | 59.9° | 60.0° |
| H3 | C13 | C06 | H8 | 179.9° | 180.0° |
| H5 | C17 | C21 | H7 | 0.1° | 0.0° |
| H6 | C20 | C16 | H13 | 0.4° | 0.3° |
| H8 | C06 | C12 | H9 | 60.0° | 60.0° |
| H8 | C06 | C12 | H10 | 60.0° | 60.0° |
| H8 | C06 | C12 | H11 | 180.0° | 180.0° |
| H9 | C12 | H10 | H11 | 120.0° | 120.0° |
| H12 | C14 | C19 | H14 | 0.1° | 0.0° |
