OE7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C21 | doub | 1.21Å | 1.23Å | |
| C19 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | O3 | sing | 1.35Å | 1.37Å | |
| C21 | C20 | sing | 1.47Å | 1.51Å | |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C15 | doub | 1.40Å | 1.43Å | Aromatic |
| N4 | C4 | sing | 1.37Å | 1.38Å | |
| C17 | CL1 | sing | 1.74Å | 1.73Å | |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | N1 | doub | 1.31Å | 1.30Å | |
| C4 | N2 | sing | 1.36Å | 1.41Å | |
| N1 | C1 | sing | 1.34Å | 1.39Å | |
| C15 | C16 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | N5 | sing | 1.39Å | 1.43Å | |
| N2 | C3 | sing | 1.35Å | 1.35Å | |
| N5 | C14 | sing | 1.35Å | 1.35Å | |
| C1 | N3 | sing | 1.36Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.37Å | Aromatic |
| N3 | C6 | sing | 1.37Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.48Å | |
| C3 | O1 | doub | 1.22Å | 1.23Å | |
| C2 | C5 | sing | 1.46Å | 1.43Å | Aromatic |
| C14 | C11 | sing | 1.48Å | 1.50Å | |
| C14 | O2 | doub | 1.22Å | 1.23Å | |
| C13 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C5 | doub | 1.34Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| N4 | H5 | sing | 0.97Å | 1.00Å | |
| N5 | H6 | sing | 0.97Å | 1.00Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C21 | O3 | 122.7° | 120.0° |
| O4 | C21 | C20 | 122.9° | 120.1° |
| C18 | C19 | C20 | 121.3° | 119.9° |
| C19 | C18 | C17 | 119.9° | 120.4° |
| C19 | C18 | H12 | 120.1° | 119.8° |
| C18 | C19 | H13 | 119.4° | 120.1° |
| C19 | C20 | C21 | 118.7° | 120.2° |
| C19 | C20 | C15 | 118.8° | 119.7° |
| C20 | C19 | H13 | 119.4° | 120.1° |
| O3 | C21 | C20 | 114.5° | 120.0° |
| C21 | O3 | H3 | 109.5° | 117.0° |
| C21 | C20 | C15 | 122.5° | 120.1° |
| C18 | C17 | CL1 | 120.3° | 119.8° |
| C18 | C17 | C16 | 119.7° | 120.4° |
| C17 | C18 | H12 | 120.1° | 119.9° |
| C20 | C15 | C16 | 119.0° | 119.6° |
| C20 | C15 | N5 | 119.7° | 120.2° |
| N4 | C4 | N1 | 124.1° | 118.9° |
| N4 | C4 | N2 | 111.5° | 118.9° |
| C4 | N4 | H4 | 120.0° | 120.0° |
| C4 | N4 | H5 | 120.0° | 120.0° |
| CL1 | C17 | C16 | 120.0° | 119.9° |
| C17 | C16 | C15 | 121.3° | 120.1° |
| C17 | C16 | H11 | 119.4° | 119.9° |
| N1 | C4 | N2 | 124.4° | 122.2° |
| C4 | N1 | C1 | 114.5° | 121.2° |
| C4 | N2 | C3 | 122.6° | 120.2° |
| C4 | N2 | H1 | 118.7° | 119.9° |
| N1 | C1 | N3 | 125.7° | 133.6° |
| N1 | C1 | C2 | 126.3° | 119.2° |
| C16 | C15 | N5 | 121.3° | 120.2° |
| C15 | C16 | H11 | 119.4° | 119.9° |
| C15 | N5 | C14 | 130.5° | 120.0° |
| C15 | N5 | H6 | 114.8° | 120.0° |
| N2 | C3 | C2 | 115.2° | 118.2° |
| N2 | C3 | O1 | 122.2° | 120.9° |
| C3 | N2 | H1 | 118.7° | 119.9° |
| N5 | C14 | C11 | 114.9° | 120.0° |
| N5 | C14 | O2 | 125.5° | 120.0° |
| C14 | N5 | H6 | 114.7° | 120.0° |
| N3 | C1 | C2 | 108.0° | 107.2° |
| C1 | N3 | C6 | 109.3° | 110.1° |
| C1 | N3 | H2 | 125.4° | 125.0° |
| C1 | C2 | C3 | 117.0° | 119.1° |
| C1 | C2 | C5 | 107.7° | 106.4° |
| N3 | C6 | C5 | 108.3° | 109.7° |
| C6 | N3 | H2 | 125.4° | 124.9° |
| N3 | C6 | H7 | 125.8° | 125.2° |
| C13 | C12 | C11 | 120.5° | 119.8° |
| C12 | C13 | C8 | 120.1° | 120.2° |
| C13 | C12 | H9 | 119.8° | 120.1° |
| C12 | C13 | H10 | 119.9° | 119.9° |
| C12 | C11 | C14 | 121.0° | 120.1° |
| C12 | C11 | C10 | 118.9° | 119.7° |
| C11 | C12 | H9 | 119.7° | 120.1° |
| C2 | C3 | O1 | 122.6° | 120.9° |
| C3 | C2 | C5 | 135.3° | 134.6° |
| C2 | C5 | C6 | 106.6° | 106.7° |
| C2 | C5 | C7 | 127.5° | 126.6° |
| C11 | C14 | O2 | 119.6° | 119.9° |
| C14 | C11 | C10 | 120.1° | 120.2° |
| C13 | C8 | C7 | 121.7° | 119.9° |
| C13 | C8 | C9 | 119.6° | 120.3° |
| C8 | C13 | H10 | 119.9° | 119.9° |
| C6 | C5 | C7 | 125.9° | 126.7° |
| C5 | C6 | H7 | 125.8° | 125.1° |
| C11 | C10 | C9 | 120.8° | 119.8° |
| C11 | C10 | H8 | 119.6° | 120.1° |
| C5 | C7 | C8 | 114.5° | 109.5° |
| C5 | C7 | H14 | 108.2° | 109.5° |
| C5 | C7 | H15 | 108.2° | 109.5° |
| C7 | C8 | C9 | 118.8° | 119.9° |
| C8 | C7 | H14 | 108.2° | 109.4° |
| C8 | C7 | H15 | 108.2° | 109.4° |
| C8 | C9 | C10 | 120.2° | 120.2° |
| C8 | C9 | H16 | 119.9° | 119.9° |
| C9 | C10 | H8 | 119.6° | 120.1° |
| C10 | C9 | H16 | 119.9° | 119.9° |
| H4 | N4 | H5 | 120.0° | 120.1° |
| H14 | C7 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C21 | C20 | C19 | 37.3° | 174.6° |
| O4 | C21 | O3 | C20 | 179.6° | 180.0° |
| O4 | C21 | C20 | C15 | 142.6° | 4.8° |
| O4 | C21 | O3 | H3 | 0.0° | 0.0° |
| C18 | C19 | C20 | H13 | 180.0° | 179.7° |
| C18 | C19 | C20 | C21 | 180.0° | 180.0° |
| C19 | C18 | C17 | H12 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 0.1° | 0.7° |
| C19 | C18 | C17 | CL1 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C19 | C20 | C21 | O3 | 143.1° | 5.4° |
| C19 | C20 | C21 | C15 | 179.9° | 179.3° |
| C20 | C19 | C18 | C17 | 0.1° | 0.3° |
| C19 | C20 | C15 | C16 | 0.2° | 0.7° |
| C19 | C20 | C15 | N5 | 179.8° | 179.7° |
| C20 | C19 | C18 | H12 | 179.9° | 179.6° |
| O3 | C21 | C20 | C15 | 37.0° | 175.2° |
| C21 | C20 | C15 | C16 | 179.9° | 180.0° |
| C21 | C20 | C15 | N5 | 0.3° | 0.3° |
| C20 | C21 | O3 | H3 | 179.6° | 180.0° |
| C21 | C20 | C19 | H13 | 0.0° | 0.3° |
| C18 | C17 | CL1 | C16 | 179.9° | 179.9° |
| C18 | C17 | C16 | C15 | 0.2° | 0.0° |
| C18 | C17 | C16 | H11 | 179.8° | 179.9° |
| C17 | C18 | C19 | H13 | 180.0° | 180.0° |
| C20 | C15 | C16 | C17 | 0.3° | 0.3° |
| C20 | C15 | C16 | N5 | 179.6° | 179.7° |
| C20 | C15 | N5 | C14 | 171.9° | 145.0° |
| C20 | C15 | N5 | H6 | 8.1° | 35.0° |
| C20 | C15 | C16 | H11 | 179.7° | 179.7° |
| C15 | C20 | C19 | H13 | 179.9° | 179.6° |
| N4 | C4 | N1 | N2 | 179.9° | 180.0° |
| N4 | C4 | N1 | C1 | 179.9° | 180.0° |
| N4 | C4 | N2 | C3 | 180.0° | 180.0° |
| N4 | C4 | N2 | H1 | 0.0° | 0.0° |
| C4 | N4 | H4 | H5 | 180.0° | 180.0° |
| CL1 | C17 | C16 | C15 | 179.9° | 179.9° |
| CL1 | C17 | C16 | H11 | 0.1° | 0.0° |
| CL1 | C17 | C18 | H12 | 0.0° | 0.1° |
| C17 | C16 | C15 | H11 | 180.0° | 180.0° |
| C17 | C16 | C15 | N5 | 179.9° | 180.0° |
| C16 | C17 | C18 | H12 | 179.9° | 180.0° |
| N1 | C4 | N2 | C3 | 0.1° | 0.0° |
| C4 | N1 | C1 | N3 | 179.9° | 180.0° |
| C4 | N1 | C1 | C2 | 0.0° | 0.0° |
| N1 | C4 | N2 | H1 | 179.9° | 180.0° |
| N1 | C4 | N4 | H4 | 0.0° | 0.0° |
| N1 | C4 | N4 | H5 | 180.0° | 180.0° |
| N2 | C4 | N1 | C1 | 0.0° | 0.0° |
| C4 | N2 | C3 | H1 | 180.0° | 180.0° |
| C4 | N2 | C3 | C2 | 0.2° | 0.0° |
| C4 | N2 | C3 | O1 | 180.0° | 180.0° |
| N2 | C4 | N4 | H4 | 179.9° | 180.0° |
| N2 | C4 | N4 | H5 | 0.0° | 0.0° |
| N1 | C1 | N3 | C2 | 179.9° | 180.0° |
| N1 | C1 | N3 | C6 | 179.9° | 180.0° |
| N1 | C1 | C2 | C3 | 0.1° | 0.0° |
| N1 | C1 | C2 | C5 | 179.8° | 180.0° |
| N1 | C1 | N3 | H2 | 0.1° | 0.0° |
| C16 | C15 | N5 | C14 | 8.5° | 35.3° |
| C16 | C15 | N5 | H6 | 171.5° | 144.7° |
| C15 | N5 | C14 | H6 | 180.0° | 180.0° |
| C15 | N5 | C14 | C11 | 179.7° | 175.5° |
| C15 | N5 | C14 | O2 | 1.7° | 4.5° |
| N5 | C15 | C16 | H11 | 0.1° | 0.1° |
| N2 | C3 | C2 | C1 | 0.2° | 0.0° |
| N2 | C3 | C2 | O1 | 179.9° | 180.0° |
| N2 | C3 | C2 | C5 | 179.7° | 180.0° |
| N5 | C14 | C11 | C12 | 10.3° | 0.0° |
| N5 | C14 | C11 | O2 | 178.7° | 180.0° |
| N5 | C14 | C11 | C10 | 170.5° | 180.0° |
| C1 | N3 | C6 | H2 | 180.0° | 180.0° |
| N3 | C1 | C2 | C3 | 180.0° | 180.0° |
| N3 | C1 | C2 | C5 | 0.4° | 0.0° |
| C1 | N3 | C6 | C5 | 0.0° | 0.0° |
| C1 | N3 | C6 | H7 | 179.9° | 180.0° |
| C2 | C1 | N3 | C6 | 0.2° | 0.0° |
| C1 | C2 | C3 | C5 | 179.6° | 180.0° |
| C1 | C2 | C3 | O1 | 180.0° | 180.0° |
| C1 | C2 | C5 | C6 | 0.4° | 0.0° |
| C1 | C2 | C5 | C7 | 179.6° | 180.0° |
| C2 | C1 | N3 | H2 | 179.8° | 180.0° |
| N3 | C6 | C5 | C2 | 0.3° | 0.0° |
| N3 | C6 | C5 | H7 | 180.0° | 180.0° |
| N3 | C6 | C5 | C7 | 179.4° | 180.0° |
| C13 | C12 | C11 | H9 | 180.0° | 179.9° |
| C13 | C12 | C11 | C14 | 179.7° | 180.0° |
| C12 | C13 | C8 | H10 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.5° | 0.0° |
| C12 | C13 | C8 | C7 | 179.8° | 179.9° |
| C12 | C13 | C8 | C9 | 0.0° | 0.1° |
| C12 | C11 | C14 | C10 | 179.2° | 180.0° |
| C12 | C11 | C14 | O2 | 171.1° | 180.0° |
| C11 | C12 | C13 | C8 | 0.1° | 0.0° |
| C12 | C11 | C10 | C9 | 0.6° | 0.0° |
| C12 | C11 | C10 | H8 | 179.4° | 179.7° |
| C11 | C12 | C13 | H10 | 179.9° | 180.0° |
| C3 | C2 | C5 | C6 | 180.0° | 180.0° |
| C3 | C2 | C5 | C7 | 0.9° | 0.0° |
| C2 | C3 | N2 | H1 | 179.8° | 180.0° |
| O1 | C3 | C2 | C5 | 0.4° | 0.0° |
| O1 | C3 | N2 | H1 | 0.0° | 0.0° |
| C2 | C5 | C6 | C7 | 179.2° | 179.9° |
| C2 | C5 | C7 | C8 | 70.4° | 85.0° |
| C2 | C5 | C6 | H7 | 179.7° | 180.0° |
| C2 | C5 | C7 | H14 | 168.9° | 155.0° |
| C2 | C5 | C7 | H15 | 50.4° | 35.0° |
| C14 | C11 | C10 | C9 | 179.9° | 180.0° |
| C11 | C14 | N5 | H6 | 0.3° | 4.4° |
| C14 | C11 | C10 | H8 | 0.1° | 0.3° |
| C14 | C11 | C12 | H9 | 0.3° | 0.0° |
| O2 | C14 | C11 | C10 | 8.1° | 0.0° |
| O2 | C14 | N5 | H6 | 178.2° | 175.6° |
| C13 | C8 | C7 | C5 | 29.6° | 90.0° |
| C13 | C8 | C7 | C9 | 179.9° | 180.0° |
| C13 | C8 | C9 | C10 | 0.1° | 0.1° |
| C8 | C13 | C12 | H9 | 179.9° | 180.0° |
| C13 | C8 | C7 | H14 | 91.2° | 30.0° |
| C13 | C8 | C7 | H15 | 150.3° | 150.0° |
| C13 | C8 | C9 | H16 | 179.8° | 179.7° |
| C6 | C5 | C7 | C8 | 110.6° | 95.0° |
| C5 | C6 | N3 | H2 | 180.0° | 180.0° |
| C6 | C5 | C7 | H14 | 10.1° | 25.0° |
| C6 | C5 | C7 | H15 | 128.6° | 145.0° |
| C11 | C10 | C9 | C8 | 0.5° | 0.1° |
| C11 | C10 | C9 | H8 | 180.0° | 179.8° |
| C10 | C11 | C12 | H9 | 179.5° | 179.9° |
| C11 | C10 | C9 | H16 | 179.5° | 179.7° |
| C5 | C7 | C8 | H14 | 120.8° | 120.0° |
| C5 | C7 | C8 | H15 | 120.7° | 120.0° |
| C5 | C7 | C8 | C9 | 150.5° | 90.0° |
| C7 | C5 | C6 | H7 | 0.5° | 0.0° |
| C5 | C7 | H14 | H15 | 117.7° | 120.0° |
| C7 | C8 | C9 | C10 | 180.0° | 179.9° |
| C7 | C8 | C13 | H10 | 0.2° | 0.1° |
| C8 | C7 | H14 | H15 | 117.7° | 119.9° |
| C7 | C8 | C9 | H16 | 0.0° | 0.3° |
| C8 | C9 | C10 | H16 | 180.0° | 179.7° |
| C8 | C9 | C10 | H8 | 179.5° | 179.7° |
| C9 | C8 | C13 | H10 | 180.0° | 180.0° |
| C9 | C8 | C7 | H14 | 88.7° | 150.0° |
| C9 | C8 | C7 | H15 | 29.8° | 30.0° |
| H2 | N3 | C6 | H7 | 0.1° | 0.0° |
| H8 | C10 | C9 | H16 | 0.5° | 0.1° |
| H9 | C12 | C13 | H10 | 0.1° | 0.1° |
| H12 | C18 | C19 | H13 | 0.1° | 0.1° |
