EK7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | sing | 1.52Å | 1.52Å | |
| C8 | C7 | sing | 1.50Å | 1.51Å | |
| C6 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
| C9 | C2 | sing | 1.52Å | 1.51Å | |
| C7 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| N2 | C5 | doub | 1.32Å | 1.34Å | Aromatic |
| N5 | C19 | trip | 1.14Å | 1.14Å | |
| C2 | C1 | doub | 1.36Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.45Å | Aromatic |
| C19 | C1 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.49Å | 1.47Å | |
| C4 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C1 | S | sing | 1.76Å | 1.73Å | Aromatic |
| C5 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C5 | N3 | sing | 1.39Å | 1.36Å | |
| C3 | C16 | doub | 1.37Å | 1.38Å | Aromatic |
| N3 | C10 | sing | 1.40Å | 1.41Å | |
| C16 | S | sing | 1.70Å | 1.74Å | Aromatic |
| C16 | N4 | sing | 1.38Å | 1.36Å | |
| C17 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C18 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | O | sing | 1.36Å | 1.37Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| O | H8 | sing | 0.97Å | 0.95Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 112.7° | 112.5° |
| C8 | C9 | C2 | 112.1° | 109.8° |
| C8 | C9 | H4 | 108.8° | 109.4° |
| C8 | C9 | H5 | 108.8° | 109.4° |
| C9 | C8 | H2 | 108.7° | 109.0° |
| C9 | C8 | H3 | 108.7° | 108.9° |
| C8 | C7 | C6 | 122.7° | 120.7° |
| C8 | C7 | C4 | 121.6° | 121.4° |
| C7 | C8 | H2 | 108.7° | 108.9° |
| C7 | C8 | H3 | 108.7° | 108.8° |
| C7 | C6 | N2 | 124.5° | 119.0° |
| C6 | C7 | C4 | 115.6° | 117.9° |
| C7 | C6 | H1 | 117.7° | 120.5° |
| C6 | N2 | C5 | 115.9° | 121.5° |
| N2 | C6 | H1 | 117.7° | 120.5° |
| C9 | C2 | C1 | 125.2° | 126.0° |
| C9 | C2 | C3 | 122.0° | 121.1° |
| C2 | C9 | H4 | 108.8° | 109.4° |
| C2 | C9 | H5 | 108.8° | 109.5° |
| C7 | C4 | C3 | 119.2° | 117.8° |
| C7 | C4 | N1 | 121.1° | 120.3° |
| N2 | C5 | N1 | 124.5° | 121.6° |
| N2 | C5 | N3 | 116.0° | 119.2° |
| N5 | C19 | C1 | 177.8° | 180.0° |
| C1 | C2 | C3 | 112.8° | 112.9° |
| C2 | C1 | C19 | 126.9° | 124.9° |
| C2 | C1 | S | 112.4° | 110.3° |
| C2 | C3 | C4 | 118.3° | 119.5° |
| C2 | C3 | C16 | 111.4° | 113.7° |
| C19 | C1 | S | 120.6° | 124.8° |
| C3 | C4 | N1 | 119.6° | 121.9° |
| C4 | C3 | C16 | 130.2° | 126.8° |
| C4 | N1 | C5 | 118.2° | 119.8° |
| C1 | S | C16 | 91.3° | 92.0° |
| N1 | C5 | N3 | 119.5° | 119.2° |
| C5 | N3 | C10 | 135.5° | 120.0° |
| C5 | N3 | H6 | 112.2° | 120.0° |
| C3 | C16 | S | 112.1° | 111.1° |
| C3 | C16 | N4 | 131.7° | 124.5° |
| N3 | C10 | C11 | 117.6° | 120.1° |
| N3 | C10 | C15 | 122.6° | 120.0° |
| C10 | N3 | H6 | 112.2° | 120.0° |
| S | C16 | N4 | 116.1° | 124.4° |
| C16 | N4 | C17 | 121.2° | 111.0° |
| C16 | N4 | C18 | 122.3° | 111.0° |
| C17 | N4 | C18 | 116.5° | 111.0° |
| N4 | C17 | H14 | 109.5° | 109.5° |
| N4 | C17 | H12 | 109.5° | 109.5° |
| N4 | C17 | H13 | 109.5° | 109.5° |
| N4 | C18 | H16 | 109.5° | 109.5° |
| N4 | C18 | H15 | 109.5° | 109.5° |
| N4 | C18 | H17 | 109.5° | 109.5° |
| C11 | C10 | C15 | 119.3° | 119.9° |
| C10 | C11 | C12 | 120.4° | 119.9° |
| C10 | C11 | H7 | 119.8° | 120.1° |
| C10 | C15 | C14 | 120.0° | 120.0° |
| C10 | C15 | H11 | 120.0° | 120.0° |
| C11 | C12 | O | 118.3° | 120.0° |
| C11 | C12 | C13 | 120.3° | 119.9° |
| C12 | C11 | H7 | 119.8° | 120.0° |
| C15 | C14 | C13 | 120.7° | 120.1° |
| C14 | C15 | H11 | 120.0° | 120.0° |
| C15 | C14 | H10 | 119.7° | 120.0° |
| O | C12 | C13 | 121.3° | 120.0° |
| C12 | O | H8 | 109.5° | 114.0° |
| C12 | C13 | C14 | 119.2° | 120.1° |
| C12 | C13 | H9 | 120.4° | 120.0° |
| C13 | C14 | H10 | 119.6° | 119.9° |
| C14 | C13 | H9 | 120.4° | 119.9° |
| H4 | C9 | H5 | 109.5° | 109.4° |
| H2 | C8 | H3 | 109.4° | 108.7° |
| H16 | C18 | H15 | 109.4° | 109.4° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H15 | C18 | H17 | 109.5° | 109.5° |
| H14 | C17 | H12 | 109.4° | 109.5° |
| H14 | C17 | H13 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H2 | 120.5° | 120.9° |
| C9 | C8 | C7 | H3 | 120.5° | 120.8° |
| C9 | C8 | C7 | C6 | 147.1° | 145.3° |
| C8 | C9 | C2 | H4 | 120.4° | 120.1° |
| C8 | C9 | C2 | H5 | 120.4° | 120.1° |
| C9 | C8 | C7 | C4 | 36.0° | 34.9° |
| C8 | C9 | C2 | C1 | 154.6° | 147.2° |
| C8 | C9 | C2 | C3 | 26.3° | 33.9° |
| C8 | C9 | H4 | H5 | 118.8° | 119.8° |
| C9 | C8 | H2 | H3 | 118.5° | 118.6° |
| C8 | C7 | C6 | C4 | 177.1° | 179.8° |
| C8 | C7 | C6 | N2 | 174.4° | 178.9° |
| C7 | C8 | C9 | C2 | 42.3° | 47.9° |
| C8 | C7 | C4 | C3 | 8.8° | 2.5° |
| C8 | C7 | C4 | N1 | 174.5° | 178.3° |
| C7 | C8 | C9 | H4 | 78.1° | 72.2° |
| C7 | C8 | C9 | H5 | 162.7° | 168.0° |
| C7 | C8 | H2 | H3 | 118.5° | 118.4° |
| C8 | C7 | C6 | H1 | 5.6° | 1.0° |
| C7 | C6 | N2 | H1 | 180.0° | 180.0° |
| C7 | C6 | N2 | C5 | 0.6° | 0.1° |
| C6 | C7 | C4 | C3 | 174.1° | 177.7° |
| C6 | C7 | C4 | N1 | 2.6° | 1.6° |
| C6 | C7 | C8 | H2 | 92.4° | 24.4° |
| C6 | C7 | C8 | H3 | 26.6° | 94.0° |
| N2 | C6 | C7 | C4 | 2.6° | 0.9° |
| C6 | N2 | C5 | N1 | 1.7° | 0.6° |
| C6 | N2 | C5 | N3 | 176.7° | 179.4° |
| C9 | C2 | C1 | C3 | 179.1° | 179.0° |
| C9 | C2 | C1 | C19 | 2.2° | 1.7° |
| C9 | C2 | C3 | C4 | 0.5° | 2.6° |
| C9 | C2 | C1 | S | 179.7° | 178.6° |
| C9 | C2 | C3 | C16 | 179.1° | 178.1° |
| C2 | C9 | H4 | H5 | 118.8° | 119.9° |
| C2 | C9 | C8 | H2 | 78.2° | 168.7° |
| C2 | C9 | C8 | H3 | 162.8° | 72.8° |
| C7 | C4 | C3 | C2 | 10.2° | 14.7° |
| C7 | C4 | C3 | N1 | 176.7° | 179.2° |
| C7 | C4 | N1 | C5 | 0.6° | 1.1° |
| C7 | C4 | C3 | C16 | 171.4° | 164.5° |
| C4 | C7 | C8 | H2 | 84.4° | 155.8° |
| C4 | C7 | C8 | H3 | 156.5° | 85.8° |
| C4 | C7 | C6 | H1 | 177.4° | 179.1° |
| N2 | C5 | N1 | C4 | 1.7° | 0.1° |
| N2 | C5 | N1 | N3 | 178.3° | 180.0° |
| N2 | C5 | N3 | C10 | 171.1° | 5.2° |
| C5 | N2 | C6 | H1 | 179.4° | 179.8° |
| N2 | C5 | N3 | H6 | 8.9° | 174.7° |
| N5 | C19 | C1 | C2 | 9.5° | 62.8° |
| N5 | C19 | C1 | S | 167.8° | 116.8° |
| C2 | C1 | C19 | S | 177.3° | 179.7° |
| C1 | C2 | C3 | C4 | 178.7° | 178.4° |
| C1 | C2 | C3 | C16 | 0.0° | 0.9° |
| C2 | C1 | S | C16 | 0.8° | 0.1° |
| C1 | C2 | C9 | H4 | 85.0° | 92.8° |
| C1 | C2 | C9 | H5 | 34.2° | 27.1° |
| C3 | C2 | C1 | C19 | 176.9° | 179.3° |
| C2 | C3 | C4 | C16 | 178.4° | 179.2° |
| C2 | C3 | C4 | N1 | 166.5° | 164.6° |
| C3 | C2 | C1 | S | 0.6° | 0.4° |
| C2 | C3 | C16 | S | 0.6° | 1.0° |
| C2 | C3 | C16 | N4 | 175.2° | 179.3° |
| C3 | C2 | C9 | H4 | 94.1° | 86.1° |
| C3 | C2 | C9 | H5 | 146.7° | 154.0° |
| C19 | C1 | S | C16 | 176.8° | 179.9° |
| C3 | C4 | N1 | C5 | 176.0° | 178.1° |
| C4 | C3 | C16 | S | 179.1° | 178.2° |
| C4 | C3 | C16 | N4 | 3.2° | 1.4° |
| C4 | N1 | C5 | N3 | 176.7° | 179.9° |
| N1 | C4 | C3 | C16 | 11.9° | 16.3° |
| C1 | S | C16 | C3 | 0.8° | 0.6° |
| C1 | S | C16 | N4 | 175.7° | 179.7° |
| N1 | C5 | N3 | C10 | 10.4° | 174.7° |
| N1 | C5 | N3 | H6 | 169.6° | 5.3° |
| C5 | N3 | C10 | H6 | 180.0° | 180.0° |
| C5 | N3 | C10 | C11 | 153.4° | 146.9° |
| C5 | N3 | C10 | C15 | 18.1° | 33.4° |
| C3 | C16 | S | N4 | 176.6° | 179.7° |
| C3 | C16 | N4 | C17 | 84.4° | 116.0° |
| C3 | C16 | N4 | C18 | 96.5° | 120.0° |
| N3 | C10 | C11 | C15 | 171.8° | 179.7° |
| N3 | C10 | C11 | C12 | 169.9° | 179.8° |
| N3 | C10 | C15 | C14 | 169.7° | 179.9° |
| N3 | C10 | C15 | H11 | 10.3° | 0.0° |
| N3 | C10 | C11 | H7 | 10.2° | 0.1° |
| S | C16 | N4 | C17 | 99.9° | 64.4° |
| S | C16 | N4 | C18 | 79.2° | 59.6° |
| C16 | N4 | C17 | C18 | 179.2° | 124.0° |
| C16 | N4 | C18 | H16 | 180.0° | 60.1° |
| C16 | N4 | C18 | H15 | 60.0° | 180.0° |
| C16 | N4 | C18 | H17 | 60.0° | 60.0° |
| C16 | N4 | C17 | H14 | 180.0° | 56.4° |
| C16 | N4 | C17 | H12 | 60.0° | 176.4° |
| C16 | N4 | C17 | H13 | 60.0° | 63.7° |
| C17 | N4 | C18 | H16 | 0.9° | 63.9° |
| C17 | N4 | C18 | H15 | 120.8° | 56.0° |
| C17 | N4 | C18 | H17 | 119.2° | 176.0° |
| N4 | C17 | H14 | H12 | 120.0° | 120.0° |
| N4 | C17 | H14 | H13 | 120.0° | 120.0° |
| N4 | C17 | H12 | H13 | 120.0° | 120.0° |
| N4 | C18 | H16 | H15 | 120.0° | 119.9° |
| N4 | C18 | H16 | H17 | 120.0° | 120.1° |
| N4 | C18 | H15 | H17 | 120.0° | 120.0° |
| C18 | N4 | C17 | H14 | 0.8° | 179.7° |
| C18 | N4 | C17 | H12 | 119.2° | 59.7° |
| C18 | N4 | C17 | H13 | 120.8° | 60.3° |
| C10 | C11 | C12 | H7 | 180.0° | 179.7° |
| C11 | C10 | C15 | C14 | 1.7° | 0.2° |
| C10 | C11 | C12 | O | 178.4° | 179.7° |
| C10 | C11 | C12 | C13 | 0.6° | 0.5° |
| C11 | C10 | N3 | H6 | 26.6° | 33.1° |
| C11 | C10 | C15 | H11 | 178.3° | 179.7° |
| C15 | C10 | C11 | C12 | 1.9° | 0.5° |
| C10 | C15 | C14 | H11 | 180.0° | 179.9° |
| C10 | C15 | C14 | C13 | 0.1° | 0.1° |
| C15 | C10 | N3 | H6 | 161.9° | 146.6° |
| C10 | C15 | C14 | H10 | 179.9° | 180.0° |
| C15 | C10 | C11 | H7 | 178.0° | 179.8° |
| C11 | C12 | O | C13 | 179.0° | 179.8° |
| C11 | C12 | C13 | C14 | 1.0° | 0.2° |
| C11 | C12 | C13 | H9 | 179.0° | 179.8° |
| C11 | C12 | O | H8 | 180.0° | 89.8° |
| C15 | C14 | C13 | C12 | 1.3° | 0.1° |
| C15 | C14 | C13 | H10 | 180.0° | 179.9° |
| C15 | C14 | C13 | H9 | 178.7° | 179.9° |
| O | C12 | C13 | C14 | 180.0° | 180.0° |
| O | C12 | C13 | H9 | 0.0° | 0.0° |
| O | C12 | C11 | H7 | 1.6° | 0.0° |
| C12 | C13 | C14 | H9 | 180.0° | 179.9° |
| C12 | C13 | C14 | H10 | 178.8° | 180.0° |
| C13 | C12 | O | H8 | 1.0° | 90.0° |
| C13 | C12 | C11 | H7 | 179.4° | 179.8° |
| C13 | C14 | C15 | H11 | 179.9° | 180.0° |
| H4 | C9 | C8 | H2 | 161.4° | 48.6° |
| H4 | C9 | C8 | H3 | 42.4° | 167.1° |
| H5 | C9 | C8 | H2 | 42.2° | 71.2° |
| H5 | C9 | C8 | H3 | 76.8° | 47.3° |
| H16 | C18 | H15 | H17 | 120.0° | 120.0° |
| H14 | C17 | H12 | H13 | 120.0° | 120.0° |
| H11 | C15 | C14 | H10 | 0.1° | 0.1° |
| H10 | C14 | C13 | H9 | 1.3° | 0.0° |
