EYE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | C18 | doub | 1.34Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.49Å | |
| C16 | C15 | doub | 1.35Å | 1.38Å | Aromatic |
| C18 | S1 | sing | 1.76Å | 1.75Å | Aromatic |
| C15 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| C15 | C12 | sing | 1.48Å | 1.46Å | |
| C11 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.37Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.42Å | Aromatic |
| C9 | C2 | sing | 1.47Å | 1.43Å | Aromatic |
| C8 | N1 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.43Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| N1 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C14 | sing | 1.47Å | 1.45Å | |
| C1 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C20 | sing | 1.53Å | 1.53Å | |
| C4 | C7 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C21 | sing | 1.47Å | 1.48Å | |
| C6 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| N2 | H19 | sing | 1.01Å | 1.00Å | |
| N2 | H20 | sing | 1.01Å | 1.00Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C17 | C18 | 113.0° | 115.1° |
| C17 | C16 | C15 | 113.2° | 114.7° |
| C17 | C16 | H11 | 123.4° | 122.6° |
| C16 | C17 | H12 | 123.5° | 122.5° |
| C17 | C18 | C19 | 126.8° | 125.1° |
| C17 | C18 | S1 | 111.2° | 109.8° |
| C18 | C17 | H12 | 123.5° | 122.4° |
| C19 | C18 | S1 | 122.0° | 125.1° |
| C18 | C19 | H13 | 109.5° | 109.5° |
| C18 | C19 | H14 | 109.4° | 109.5° |
| C18 | C19 | H15 | 109.5° | 109.4° |
| C16 | C15 | S1 | 110.9° | 109.5° |
| C16 | C15 | C12 | 129.1° | 125.3° |
| C15 | C16 | H11 | 123.4° | 122.7° |
| C18 | S1 | C15 | 91.6° | 91.0° |
| S1 | C15 | C12 | 120.0° | 125.3° |
| C15 | C12 | C11 | 120.5° | 119.8° |
| C15 | C12 | C13 | 121.1° | 119.9° |
| C12 | C11 | C10 | 121.7° | 120.2° |
| C11 | C12 | C13 | 118.5° | 120.3° |
| C12 | C11 | H7 | 119.2° | 119.9° |
| C11 | C10 | C9 | 120.1° | 120.1° |
| C11 | C10 | H6 | 119.9° | 120.0° |
| C10 | C11 | H7 | 119.2° | 119.9° |
| C12 | C13 | C8 | 120.4° | 119.8° |
| C12 | C13 | H8 | 119.8° | 120.1° |
| C10 | C9 | C8 | 118.8° | 120.3° |
| C10 | C9 | C2 | 134.0° | 133.2° |
| C9 | C10 | H6 | 120.0° | 120.0° |
| C13 | C8 | C9 | 120.6° | 119.4° |
| C13 | C8 | N1 | 130.0° | 132.3° |
| C8 | C13 | H8 | 119.8° | 120.1° |
| C8 | C9 | C2 | 107.1° | 106.5° |
| C9 | C8 | N1 | 109.4° | 108.4° |
| C9 | C2 | C3 | 133.9° | 133.4° |
| C9 | C2 | C1 | 106.6° | 106.5° |
| C8 | N1 | C1 | 107.4° | 110.3° |
| C8 | N1 | C14 | 126.3° | 124.8° |
| C3 | C2 | C1 | 119.5° | 120.1° |
| C2 | C3 | C4 | 120.2° | 119.7° |
| C2 | C3 | H1 | 119.9° | 120.2° |
| C2 | C1 | N1 | 109.5° | 108.4° |
| C2 | C1 | C6 | 120.4° | 119.2° |
| C3 | C4 | C7 | 119.1° | 119.9° |
| C3 | C4 | C5 | 119.9° | 120.2° |
| C4 | C3 | H1 | 119.9° | 120.1° |
| C1 | N1 | C14 | 126.3° | 124.9° |
| N1 | C1 | C6 | 130.1° | 132.3° |
| N1 | C14 | C20 | 111.8° | 109.4° |
| N1 | C14 | H9 | 108.9° | 109.5° |
| N1 | C14 | H10 | 108.9° | 109.5° |
| C1 | C6 | C5 | 119.5° | 120.1° |
| C1 | C6 | H3 | 120.3° | 120.0° |
| C20 | C14 | H9 | 108.9° | 109.5° |
| C20 | C14 | H10 | 108.9° | 109.5° |
| C14 | C20 | H16 | 109.5° | 109.5° |
| C14 | C20 | H17 | 109.5° | 109.4° |
| C14 | C20 | H18 | 109.5° | 109.5° |
| C7 | C4 | C5 | 121.0° | 119.9° |
| C4 | C7 | N2 | 109.6° | 109.4° |
| C4 | C7 | H4 | 109.4° | 109.5° |
| C4 | C7 | H5 | 109.4° | 109.5° |
| C4 | C5 | C6 | 120.5° | 120.6° |
| C4 | C5 | H2 | 119.7° | 119.7° |
| C7 | N2 | C21 | 113.8° | 109.5° |
| N2 | C7 | H4 | 109.4° | 109.5° |
| N2 | C7 | H5 | 109.5° | 109.5° |
| C7 | N2 | H19 | 108.4° | 109.5° |
| C7 | N2 | H20 | 108.4° | 109.5° |
| C21 | N2 | H19 | 108.4° | 109.5° |
| C21 | N2 | H20 | 108.4° | 109.5° |
| N2 | C21 | H21 | 109.5° | 109.5° |
| N2 | C21 | H22 | 109.5° | 109.5° |
| N2 | C21 | H23 | 109.4° | 109.5° |
| C6 | C5 | H2 | 119.7° | 119.7° |
| C5 | C6 | H3 | 120.3° | 120.0° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H13 | C19 | H15 | 109.4° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.5° |
| H16 | C20 | H18 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.4° |
| H19 | N2 | H20 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.4° |
| H21 | C21 | H23 | 109.5° | 109.4° |
| H22 | C21 | H23 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | C18 | H12 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 180.0° | 180.0° |
| C17 | C16 | C15 | H11 | 180.0° | 179.9° |
| C16 | C17 | C18 | S1 | 0.1° | 0.0° |
| C17 | C16 | C15 | S1 | 0.4° | 0.0° |
| C17 | C16 | C15 | C12 | 179.4° | 179.7° |
| C17 | C18 | C19 | S1 | 179.8° | 180.0° |
| C18 | C17 | C16 | C15 | 0.2° | 0.0° |
| C17 | C18 | S1 | C15 | 0.3° | 0.0° |
| C18 | C17 | C16 | H11 | 179.8° | 179.9° |
| C17 | C18 | C19 | H13 | 179.8° | 90.0° |
| C17 | C18 | C19 | H14 | 60.1° | 150.0° |
| C17 | C18 | C19 | H15 | 59.9° | 30.0° |
| C19 | C18 | S1 | C15 | 179.9° | 180.0° |
| C19 | C18 | C17 | H12 | 0.1° | 0.0° |
| C18 | C19 | H13 | H14 | 120.0° | 120.0° |
| C18 | C19 | H13 | H15 | 120.0° | 120.0° |
| C18 | C19 | H14 | H15 | 120.0° | 120.0° |
| C16 | C15 | S1 | C18 | 0.4° | 0.0° |
| C16 | C15 | S1 | C12 | 179.1° | 179.7° |
| C16 | C15 | C12 | C11 | 2.0° | 0.3° |
| C16 | C15 | C12 | C13 | 177.2° | 179.9° |
| C15 | C16 | C17 | H12 | 179.8° | 179.9° |
| C18 | S1 | C15 | C12 | 179.4° | 179.7° |
| S1 | C18 | C17 | H12 | 179.9° | 179.9° |
| S1 | C18 | C19 | H13 | 0.0° | 90.0° |
| S1 | C18 | C19 | H14 | 120.0° | 30.0° |
| S1 | C18 | C19 | H15 | 120.0° | 150.0° |
| S1 | C15 | C12 | C11 | 179.2° | 180.0° |
| S1 | C15 | C12 | C13 | 1.7° | 0.4° |
| S1 | C15 | C16 | H11 | 179.6° | 179.9° |
| C15 | C12 | C11 | C13 | 179.2° | 179.6° |
| C15 | C12 | C11 | C10 | 179.4° | 180.0° |
| C15 | C12 | C13 | C8 | 179.7° | 179.6° |
| C15 | C12 | C11 | H7 | 0.6° | 0.4° |
| C15 | C12 | C13 | H8 | 0.3° | 0.4° |
| C12 | C15 | C16 | H11 | 0.6° | 0.4° |
| C12 | C11 | C10 | H7 | 180.0° | 179.6° |
| C12 | C11 | C10 | C9 | 0.1° | 0.0° |
| C11 | C12 | C13 | C8 | 0.5° | 0.8° |
| C12 | C11 | C10 | H6 | 179.9° | 180.0° |
| C11 | C12 | C13 | H8 | 179.4° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.4° |
| C11 | C10 | C9 | H6 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.1° | 0.1° |
| C11 | C10 | C9 | C2 | 179.8° | 179.5° |
| C12 | C13 | C8 | H8 | 180.0° | 179.3° |
| C12 | C13 | C8 | C9 | 0.5° | 0.8° |
| C12 | C13 | C8 | N1 | 179.6° | 179.8° |
| C13 | C12 | C11 | H7 | 179.8° | 180.0° |
| C10 | C9 | C8 | C13 | 0.2° | 0.4° |
| C10 | C9 | C8 | C2 | 180.0° | 179.6° |
| C10 | C9 | C8 | N1 | 179.9° | 180.0° |
| C10 | C9 | C2 | C3 | 0.1° | 0.1° |
| C10 | C9 | C2 | C1 | 179.9° | 179.7° |
| C9 | C10 | C11 | H7 | 179.9° | 179.6° |
| C13 | C8 | C9 | N1 | 179.9° | 179.5° |
| C13 | C8 | C9 | C2 | 179.9° | 180.0° |
| C13 | C8 | N1 | C1 | 179.9° | 180.0° |
| C13 | C8 | N1 | C14 | 0.1° | 0.4° |
| C8 | C9 | C2 | C3 | 179.9° | 179.7° |
| C8 | C9 | C2 | C1 | 0.0° | 0.2° |
| C9 | C8 | N1 | C1 | 0.0° | 0.5° |
| C9 | C8 | N1 | C14 | 179.8° | 179.8° |
| C8 | C9 | C10 | H6 | 179.9° | 180.0° |
| C9 | C8 | C13 | H8 | 179.5° | 180.0° |
| C2 | C9 | C8 | N1 | 0.0° | 0.5° |
| C9 | C2 | C3 | C1 | 180.0° | 179.9° |
| C9 | C2 | C3 | C4 | 180.0° | 180.0° |
| C9 | C2 | C1 | N1 | 0.1° | 0.1° |
| C9 | C2 | C1 | C6 | 179.9° | 179.9° |
| C9 | C2 | C3 | H1 | 0.1° | 0.1° |
| C2 | C9 | C10 | H6 | 0.2° | 0.6° |
| C8 | N1 | C1 | C2 | 0.0° | 0.4° |
| C8 | N1 | C1 | C14 | 179.9° | 179.6° |
| C8 | N1 | C1 | C6 | 179.9° | 179.8° |
| C8 | N1 | C14 | C20 | 91.4° | 90.4° |
| N1 | C8 | C13 | H8 | 0.4° | 0.6° |
| C8 | N1 | C14 | H9 | 148.2° | 29.7° |
| C8 | N1 | C14 | H10 | 29.0° | 149.7° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C3 | C2 | C1 | N1 | 179.9° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.1° |
| C2 | C3 | C4 | C7 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.1° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C2 | C1 | N1 | C6 | 179.8° | 179.9° |
| C2 | C1 | N1 | C14 | 179.8° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.2° |
| C1 | C2 | C3 | H1 | 179.9° | 180.0° |
| C2 | C1 | C6 | H3 | 179.9° | 180.0° |
| C3 | C4 | C7 | C5 | 179.3° | 180.0° |
| C3 | C4 | C7 | N2 | 82.5° | 90.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C3 | C4 | C5 | H2 | 179.4° | 180.0° |
| C3 | C4 | C7 | H4 | 157.5° | 150.0° |
| C3 | C4 | C7 | H5 | 37.5° | 30.0° |
| C1 | N1 | C14 | C20 | 88.4° | 90.1° |
| N1 | C1 | C6 | C5 | 179.7° | 180.0° |
| N1 | C1 | C6 | H3 | 0.3° | 0.1° |
| C1 | N1 | C14 | H9 | 32.0° | 149.9° |
| C1 | N1 | C14 | H10 | 151.2° | 29.9° |
| C14 | N1 | C1 | C6 | 0.0° | 0.1° |
| N1 | C14 | C20 | H9 | 120.3° | 120.0° |
| N1 | C14 | C20 | H10 | 120.4° | 119.9° |
| N1 | C14 | H9 | H10 | 118.9° | 120.0° |
| N1 | C14 | C20 | H16 | 180.0° | 60.1° |
| N1 | C14 | C20 | H17 | 60.0° | 180.0° |
| N1 | C14 | C20 | H18 | 60.0° | 60.0° |
| C1 | C6 | C5 | C4 | 0.4° | 0.1° |
| C1 | C6 | C5 | H3 | 180.0° | 179.9° |
| C1 | C6 | C5 | H2 | 179.6° | 179.9° |
| C20 | C14 | H9 | H10 | 118.9° | 120.0° |
| C14 | C20 | H16 | H17 | 120.0° | 120.0° |
| C14 | C20 | H16 | H18 | 120.0° | 120.1° |
| C14 | C20 | H17 | H18 | 120.0° | 120.0° |
| C4 | C7 | N2 | H4 | 120.0° | 120.0° |
| C4 | C7 | N2 | H5 | 120.1° | 120.0° |
| C4 | C7 | N2 | C21 | 172.3° | 180.0° |
| C7 | C4 | C5 | C6 | 179.9° | 180.0° |
| C7 | C4 | C3 | H1 | 0.3° | 0.0° |
| C7 | C4 | C5 | H2 | 0.1° | 0.0° |
| C4 | C7 | H4 | H5 | 119.9° | 120.0° |
| C4 | C7 | N2 | H19 | 67.1° | 60.0° |
| C4 | C7 | N2 | H20 | 51.6° | 60.0° |
| C5 | C4 | C7 | N2 | 98.1° | 90.0° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | H1 | 179.6° | 180.0° |
| C4 | C5 | C6 | H3 | 179.6° | 180.0° |
| C5 | C4 | C7 | H4 | 21.9° | 30.0° |
| C5 | C4 | C7 | H5 | 141.8° | 150.0° |
| C7 | N2 | C21 | H19 | 120.6° | 120.0° |
| C7 | N2 | C21 | H20 | 120.7° | 120.0° |
| N2 | C7 | H4 | H5 | 119.9° | 120.0° |
| C7 | N2 | H19 | H20 | 118.0° | 120.0° |
| C7 | N2 | C21 | H21 | 180.0° | 60.0° |
| C7 | N2 | C21 | H22 | 60.0° | 60.0° |
| C7 | N2 | C21 | H23 | 60.0° | 180.0° |
| C21 | N2 | C7 | H4 | 52.3° | 60.0° |
| C21 | N2 | C7 | H5 | 67.7° | 60.0° |
| C21 | N2 | H19 | H20 | 118.1° | 120.0° |
| N2 | C21 | H21 | H22 | 120.0° | 120.0° |
| N2 | C21 | H21 | H23 | 120.0° | 120.0° |
| N2 | C21 | H22 | H23 | 120.0° | 120.0° |
| H2 | C5 | C6 | H3 | 0.4° | 0.0° |
| H4 | C7 | N2 | H19 | 172.9° | 180.0° |
| H4 | C7 | N2 | H20 | 68.4° | 60.0° |
| H5 | C7 | N2 | H19 | 53.0° | 60.0° |
| H5 | C7 | N2 | H20 | 171.7° | 180.0° |
| H6 | C10 | C11 | H7 | 0.1° | 0.5° |
| H9 | C14 | C20 | H16 | 59.7° | 59.9° |
| H9 | C14 | C20 | H17 | 179.7° | 60.0° |
| H9 | C14 | C20 | H18 | 60.3° | 180.0° |
| H10 | C14 | C20 | H16 | 59.6° | 180.0° |
| H10 | C14 | C20 | H17 | 60.4° | 60.0° |
| H10 | C14 | C20 | H18 | 179.6° | 59.9° |
| H11 | C16 | C17 | H12 | 0.2° | 0.0° |
| H13 | C19 | H14 | H15 | 120.0° | 120.0° |
| H16 | C20 | H17 | H18 | 120.0° | 120.0° |
| H19 | N2 | C21 | H21 | 59.4° | 180.0° |
| H19 | N2 | C21 | H22 | 179.4° | 60.0° |
| H19 | N2 | C21 | H23 | 60.6° | 60.0° |
| H20 | N2 | C21 | H21 | 59.3° | 60.0° |
| H20 | N2 | C21 | H22 | 60.7° | 180.0° |
| H20 | N2 | C21 | H23 | 179.4° | 60.0° |
| H21 | C21 | H22 | H23 | 120.0° | 119.9° |
