EZ3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | sing | 1.36Å | 1.36Å | |
| O4 | C12 | doub | 1.22Å | 1.20Å | |
| C | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C1 | sing | 1.48Å | 1.47Å | |
| C12 | O3 | sing | 1.36Å | 1.35Å | |
| C1 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| O3 | C4 | sing | 1.46Å | 1.46Å | |
| C14 | O5 | sing | 1.36Å | 1.37Å | |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| O1 | C5 | sing | 1.43Å | 1.42Å | |
| C2 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | O2 | sing | 1.43Å | 1.44Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| O2 | C10 | sing | 1.43Å | 1.44Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| O1 | H19 | sing | 0.97Å | 0.95Å | |
| O5 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C15 | 118.1° | 120.2° |
| O | C | C1 | 121.2° | 120.3° |
| C | O | H11 | 109.5° | 114.0° |
| O4 | C12 | C1 | 124.5° | 121.3° |
| O4 | C12 | O3 | 117.4° | 121.4° |
| C15 | C | C1 | 120.7° | 119.6° |
| C | C15 | C14 | 119.7° | 119.9° |
| C | C15 | H10 | 120.2° | 120.0° |
| C | C1 | C12 | 120.7° | 120.4° |
| C | C1 | C2 | 118.6° | 120.2° |
| C15 | C14 | O5 | 120.5° | 119.8° |
| C15 | C14 | C13 | 120.5° | 120.4° |
| C14 | C15 | H10 | 120.1° | 120.0° |
| C1 | C12 | O3 | 118.1° | 117.2° |
| C12 | C1 | C2 | 120.7° | 119.4° |
| C12 | O3 | C4 | 118.5° | 114.4° |
| C1 | C2 | C13 | 119.9° | 119.6° |
| C1 | C2 | C3 | 118.2° | 120.5° |
| O3 | C4 | C3 | 109.3° | 109.3° |
| O3 | C4 | C5 | 106.4° | 109.5° |
| O3 | C4 | H1 | 109.5° | 109.5° |
| O5 | C14 | C13 | 118.9° | 119.8° |
| C14 | O5 | H20 | 109.5° | 114.0° |
| C14 | C13 | C2 | 120.5° | 120.3° |
| C14 | C13 | H9 | 119.8° | 119.8° |
| O1 | C5 | C4 | 109.7° | 109.5° |
| O1 | C5 | C6 | 109.0° | 109.4° |
| O1 | C5 | H2 | 109.4° | 109.5° |
| C5 | O1 | H19 | 109.5° | 114.0° |
| C13 | C2 | C3 | 121.9° | 119.9° |
| C2 | C13 | H9 | 119.7° | 119.9° |
| C2 | C3 | C4 | 111.6° | 110.2° |
| C2 | C3 | H15 | 109.0° | 109.3° |
| C2 | C3 | H16 | 109.0° | 109.3° |
| C3 | C4 | C5 | 114.0° | 109.5° |
| C3 | C4 | H1 | 108.8° | 109.5° |
| C4 | C3 | H15 | 109.0° | 109.3° |
| C4 | C3 | H16 | 108.9° | 109.4° |
| C4 | C5 | C6 | 112.4° | 109.4° |
| C5 | C4 | H1 | 108.7° | 109.5° |
| C4 | C5 | H2 | 108.2° | 109.5° |
| C5 | C6 | C7 | 113.7° | 109.4° |
| C5 | C6 | O2 | 108.7° | 109.5° |
| C6 | C5 | H2 | 108.2° | 109.5° |
| C5 | C6 | H3 | 107.7° | 109.5° |
| C7 | C6 | O2 | 110.3° | 109.5° |
| C6 | C7 | C8 | 110.7° | 109.1° |
| C7 | C6 | H3 | 107.7° | 109.5° |
| C6 | C7 | H4 | 109.2° | 109.6° |
| C6 | C7 | H5 | 109.2° | 109.6° |
| C6 | O2 | C10 | 114.2° | 114.1° |
| O2 | C6 | H3 | 108.7° | 109.5° |
| C7 | C8 | C9 | 111.0° | 109.1° |
| C8 | C7 | H4 | 109.1° | 109.5° |
| C8 | C7 | H5 | 109.2° | 109.5° |
| C7 | C8 | H6 | 109.1° | 109.5° |
| C7 | C8 | H7 | 109.1° | 109.5° |
| O2 | C10 | C9 | 110.3° | 109.4° |
| O2 | C10 | C11 | 106.6° | 109.4° |
| O2 | C10 | H8 | 109.3° | 109.5° |
| C8 | C9 | C10 | 111.0° | 109.2° |
| C9 | C8 | H6 | 109.1° | 109.6° |
| C9 | C8 | H7 | 109.1° | 109.5° |
| C8 | C9 | H17 | 109.1° | 109.5° |
| C8 | C9 | H18 | 109.1° | 109.5° |
| C9 | C10 | C11 | 113.6° | 109.5° |
| C9 | C10 | H8 | 108.5° | 109.5° |
| C10 | C9 | H17 | 109.1° | 109.6° |
| C10 | C9 | H18 | 109.1° | 109.5° |
| C11 | C10 | H8 | 108.5° | 109.5° |
| C10 | C11 | H12 | 109.5° | 109.5° |
| C10 | C11 | H13 | 109.5° | 109.5° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.4° | 109.6° |
| H6 | C8 | H7 | 109.5° | 109.6° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H12 | C11 | H14 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.4° | 109.5° |
| H15 | C3 | H16 | 109.4° | 109.2° |
| H17 | C9 | H18 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C15 | C1 | 178.8° | 180.0° |
| O | C | C15 | C14 | 178.2° | 179.9° |
| O | C | C1 | C12 | 1.1° | 0.4° |
| O | C | C1 | C2 | 178.5° | 179.7° |
| O | C | C15 | H10 | 1.9° | 0.1° |
| O4 | C12 | C1 | C | 1.0° | 9.8° |
| O4 | C12 | C1 | O3 | 180.0° | 179.9° |
| O4 | C12 | C1 | C2 | 179.4° | 170.1° |
| O4 | C12 | O3 | C4 | 152.8° | 138.2° |
| C | C15 | C14 | H10 | 180.0° | 180.0° |
| C15 | C | C1 | C12 | 179.9° | 179.6° |
| C15 | C | C1 | C2 | 0.3° | 0.3° |
| C | C15 | C14 | O5 | 178.5° | 179.9° |
| C | C15 | C14 | C13 | 0.6° | 0.1° |
| C15 | C | O | H11 | 179.8° | 90.0° |
| C1 | C | C15 | C14 | 0.7° | 0.0° |
| C | C1 | C12 | C2 | 179.6° | 179.9° |
| C | C1 | C12 | O3 | 179.0° | 170.1° |
| C | C1 | C2 | C13 | 0.2° | 0.4° |
| C | C1 | C2 | C3 | 179.4° | 179.4° |
| C1 | C | C15 | H10 | 179.3° | 179.9° |
| C1 | C | O | H11 | 1.4° | 89.9° |
| C15 | C14 | O5 | C13 | 179.1° | 180.0° |
| C15 | C14 | C13 | C2 | 0.1° | 0.0° |
| C15 | C14 | C13 | H9 | 179.9° | 179.9° |
| C15 | C14 | O5 | H20 | 180.0° | 90.0° |
| C1 | C12 | O3 | C4 | 27.3° | 41.9° |
| C12 | C1 | C2 | C13 | 179.4° | 179.5° |
| C12 | C1 | C2 | C3 | 1.0° | 0.7° |
| O3 | C12 | C1 | C2 | 0.6° | 10.0° |
| C12 | O3 | C4 | C3 | 53.8° | 62.7° |
| C12 | O3 | C4 | C5 | 177.3° | 177.4° |
| C12 | O3 | C4 | H1 | 65.4° | 57.3° |
| C1 | C2 | C13 | C14 | 0.3° | 0.2° |
| C1 | C2 | C13 | C3 | 179.6° | 179.8° |
| C1 | C2 | C3 | C4 | 27.7° | 21.4° |
| C1 | C2 | C13 | H9 | 179.7° | 179.8° |
| C1 | C2 | C3 | H15 | 92.6° | 141.6° |
| C1 | C2 | C3 | H16 | 148.0° | 98.9° |
| O3 | C4 | C5 | O1 | 64.4° | 64.9° |
| O3 | C4 | C3 | C2 | 51.5° | 49.8° |
| O3 | C4 | C3 | C5 | 118.9° | 119.9° |
| O3 | C4 | C3 | H1 | 119.6° | 120.0° |
| O3 | C4 | C5 | H1 | 117.8° | 120.1° |
| O3 | C4 | C5 | C6 | 57.0° | 55.1° |
| O3 | C4 | C5 | H2 | 176.3° | 175.1° |
| O3 | C4 | C3 | H15 | 68.8° | 170.0° |
| O3 | C4 | C3 | H16 | 171.8° | 70.4° |
| O5 | C14 | C13 | C2 | 179.0° | 180.0° |
| O5 | C14 | C13 | H9 | 1.0° | 0.1° |
| O5 | C14 | C15 | H10 | 1.5° | 0.1° |
| C14 | C13 | C2 | H9 | 180.0° | 180.0° |
| C14 | C13 | C2 | C3 | 179.3° | 179.5° |
| C13 | C14 | C15 | H10 | 179.4° | 179.9° |
| C13 | C14 | O5 | H20 | 0.9° | 90.0° |
| O1 | C5 | C4 | C3 | 56.2° | 55.0° |
| O1 | C5 | C4 | C6 | 121.4° | 119.9° |
| O1 | C5 | C4 | H2 | 119.3° | 120.1° |
| O1 | C5 | C6 | H2 | 118.9° | 120.0° |
| O1 | C5 | C6 | C7 | 53.2° | 60.0° |
| O1 | C5 | C6 | O2 | 176.4° | 180.0° |
| O1 | C5 | C4 | H1 | 177.8° | 175.0° |
| O1 | C5 | C6 | H3 | 66.0° | 60.0° |
| C13 | C2 | C3 | C4 | 152.7° | 158.9° |
| C13 | C2 | C3 | H15 | 87.0° | 38.6° |
| C13 | C2 | C3 | H16 | 32.4° | 80.9° |
| C2 | C3 | C4 | H15 | 120.3° | 120.2° |
| C2 | C3 | C4 | H16 | 120.3° | 120.2° |
| C2 | C3 | C4 | C5 | 170.4° | 169.7° |
| C2 | C3 | C4 | H1 | 68.0° | 70.2° |
| C3 | C2 | C13 | H9 | 0.7° | 0.4° |
| C2 | C3 | H15 | H16 | 119.1° | 119.6° |
| C3 | C4 | C5 | H1 | 121.6° | 120.1° |
| C3 | C4 | C5 | C6 | 177.6° | 174.9° |
| C3 | C4 | C5 | H2 | 63.1° | 65.1° |
| C4 | C3 | H15 | H16 | 119.0° | 119.6° |
| C4 | C5 | C6 | H2 | 119.3° | 120.0° |
| C4 | C5 | C6 | C7 | 175.0° | 180.0° |
| C4 | C5 | C6 | O2 | 61.8° | 60.1° |
| C4 | C5 | C6 | H3 | 55.7° | 60.0° |
| C5 | C4 | C3 | H15 | 50.1° | 70.0° |
| C5 | C4 | C3 | H16 | 69.2° | 49.5° |
| C4 | C5 | O1 | H19 | 180.0° | 59.9° |
| C5 | C6 | C7 | O2 | 122.3° | 120.0° |
| C5 | C6 | C7 | H3 | 119.2° | 120.0° |
| C5 | C6 | O2 | H3 | 116.9° | 120.0° |
| C5 | C6 | C7 | C8 | 119.2° | 177.6° |
| C5 | C6 | O2 | C10 | 65.1° | 178.9° |
| C6 | C5 | C4 | H1 | 60.8° | 65.0° |
| C5 | C6 | C7 | H4 | 120.6° | 62.5° |
| C5 | C6 | C7 | H5 | 1.0° | 57.7° |
| C6 | C5 | O1 | H19 | 56.5° | 60.0° |
| C7 | C6 | O2 | H3 | 117.9° | 120.0° |
| C6 | C7 | C8 | H4 | 120.2° | 120.0° |
| C6 | C7 | C8 | H5 | 120.2° | 119.9° |
| C7 | C6 | O2 | C10 | 60.2° | 61.1° |
| C6 | C7 | C8 | C9 | 51.3° | 56.9° |
| C7 | C6 | C5 | H2 | 65.7° | 60.0° |
| C6 | C7 | H4 | H5 | 119.4° | 120.2° |
| C6 | C7 | C8 | H6 | 68.9° | 63.0° |
| C6 | C7 | C8 | H7 | 171.5° | 176.8° |
| O2 | C6 | C7 | C8 | 3.1° | 57.6° |
| C6 | O2 | C10 | C9 | 57.8° | 61.1° |
| C6 | O2 | C10 | C11 | 178.4° | 58.8° |
| O2 | C6 | C5 | H2 | 57.5° | 59.9° |
| O2 | C6 | C7 | H4 | 117.1° | 177.5° |
| O2 | C6 | C7 | H5 | 123.3° | 62.2° |
| C6 | O2 | C10 | H8 | 61.3° | 178.8° |
| C7 | C8 | C9 | H6 | 120.2° | 119.9° |
| C7 | C8 | C9 | H7 | 120.2° | 119.9° |
| C7 | C8 | C9 | C10 | 53.7° | 56.9° |
| C8 | C7 | C6 | H3 | 121.6° | 62.4° |
| C8 | C7 | H4 | H5 | 119.4° | 120.1° |
| C7 | C8 | H6 | H7 | 119.3° | 120.2° |
| C7 | C8 | C9 | H17 | 173.9° | 176.9° |
| C7 | C8 | C9 | H18 | 66.5° | 62.9° |
| O2 | C10 | C9 | C8 | 1.1° | 57.6° |
| O2 | C10 | C9 | C11 | 119.7° | 119.9° |
| O2 | C10 | C9 | H8 | 119.7° | 120.0° |
| O2 | C10 | C11 | H8 | 117.6° | 120.0° |
| C10 | O2 | C6 | H3 | 178.1° | 58.9° |
| O2 | C10 | C11 | H12 | 180.0° | 179.9° |
| O2 | C10 | C11 | H13 | 60.0° | 60.1° |
| O2 | C10 | C11 | H14 | 60.0° | 59.9° |
| O2 | C10 | C9 | H17 | 121.3° | 177.5° |
| O2 | C10 | C9 | H18 | 119.2° | 62.3° |
| C8 | C9 | C10 | H17 | 120.2° | 119.9° |
| C8 | C9 | C10 | H18 | 120.3° | 119.9° |
| C8 | C9 | C10 | C11 | 118.6° | 62.4° |
| C9 | C8 | C7 | H4 | 171.5° | 176.9° |
| C9 | C8 | C7 | H5 | 68.9° | 62.9° |
| C9 | C8 | H6 | H7 | 119.3° | 120.2° |
| C8 | C9 | C10 | H8 | 120.7° | 177.6° |
| C8 | C9 | H17 | H18 | 119.3° | 120.1° |
| C9 | C10 | C11 | H8 | 120.7° | 120.1° |
| C10 | C9 | C8 | H6 | 66.5° | 62.9° |
| C10 | C9 | C8 | H7 | 173.9° | 176.8° |
| C9 | C10 | C11 | H12 | 58.3° | 60.0° |
| C9 | C10 | C11 | H13 | 178.3° | 180.0° |
| C9 | C10 | C11 | H14 | 61.7° | 60.0° |
| C10 | C9 | H17 | H18 | 119.3° | 120.2° |
| C10 | C11 | H12 | H13 | 120.0° | 120.0° |
| C10 | C11 | H12 | H14 | 120.0° | 120.0° |
| C10 | C11 | H13 | H14 | 120.0° | 120.0° |
| C11 | C10 | C9 | H17 | 1.6° | 57.5° |
| C11 | C10 | C9 | H18 | 121.2° | 177.7° |
| H1 | C4 | C5 | H2 | 58.5° | 55.0° |
| H1 | C4 | C3 | H15 | 171.6° | 50.0° |
| H1 | C4 | C3 | H16 | 52.3° | 169.6° |
| H2 | C5 | C6 | H3 | 175.1° | 180.0° |
| H2 | C5 | O1 | H19 | 61.5° | 180.0° |
| H3 | C6 | C7 | H4 | 1.4° | 57.5° |
| H3 | C6 | C7 | H5 | 118.2° | 177.7° |
| H4 | C7 | C8 | H6 | 51.3° | 57.0° |
| H4 | C7 | C8 | H7 | 68.3° | 63.2° |
| H5 | C7 | C8 | H6 | 170.9° | 177.1° |
| H5 | C7 | C8 | H7 | 51.3° | 56.9° |
| H6 | C8 | C9 | H17 | 53.7° | 57.0° |
| H6 | C8 | C9 | H18 | 173.3° | 177.2° |
| H7 | C8 | C9 | H17 | 65.8° | 63.2° |
| H7 | C8 | C9 | H18 | 53.7° | 56.9° |
| H8 | C10 | C11 | H12 | 62.4° | 60.1° |
| H8 | C10 | C11 | H13 | 57.6° | 59.9° |
| H8 | C10 | C11 | H14 | 177.6° | 179.9° |
| H8 | C10 | C9 | H17 | 119.1° | 62.5° |
| H8 | C10 | C9 | H18 | 0.5° | 57.7° |
| H12 | C11 | H13 | H14 | 120.0° | 120.0° |
