EA7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | trip | 1.17Å | 1.18Å | |
| N4 | C6 | doub | 1.33Å | 1.33Å | Aromatic |
| N4 | C5 | sing | 1.33Å | 1.35Å | Aromatic |
| C15 | C14 | sing | 1.47Å | 1.47Å | |
| C6 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| N5 | C5 | sing | 1.39Å | 1.37Å | |
| N5 | C7 | sing | 1.40Å | 1.42Å | |
| C12 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | N2 | sing | 1.46Å | 1.48Å | |
| C5 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| F1 | C11 | sing | 1.35Å | 1.35Å | |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | N2 | sing | 1.40Å | 1.43Å | |
| C2 | C1 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| N2 | C3 | sing | 1.35Å | 1.38Å | |
| N3 | C1 | sing | 1.33Å | 1.35Å | Aromatic |
| C1 | N1 | sing | 1.38Å | 1.38Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O2 | sing | 1.36Å | 1.37Å | |
| C3 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C9 | F2 | sing | 1.35Å | 1.35Å | |
| N1 | C4 | sing | 1.47Å | 1.48Å | |
| N1 | C17 | sing | 1.47Å | 1.47Å | |
| C4 | C13 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| N5 | H10 | sing | 0.97Å | 1.00Å | |
| C16 | H11 | sing | 1.05Å | 1.06Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 173.8° | 180.0° |
| C15 | C16 | H11 | 180.0° | 180.0° |
| C6 | N4 | C5 | 118.2° | 120.9° |
| N4 | C6 | C2 | 122.3° | 118.8° |
| N4 | C6 | H4 | 118.8° | 120.6° |
| N4 | C5 | N5 | 116.9° | 119.0° |
| N4 | C5 | N3 | 124.5° | 122.0° |
| C15 | C14 | N2 | 115.9° | 109.5° |
| C15 | C14 | H2 | 107.8° | 109.4° |
| C15 | C14 | H3 | 107.8° | 109.5° |
| C6 | C2 | N2 | 124.0° | 121.4° |
| C6 | C2 | C1 | 115.5° | 119.0° |
| C2 | C6 | H4 | 118.8° | 120.6° |
| C5 | N5 | C7 | 131.4° | 120.0° |
| N5 | C5 | N3 | 118.5° | 119.0° |
| C5 | N5 | H10 | 114.3° | 120.0° |
| N5 | C7 | C12 | 116.5° | 120.0° |
| N5 | C7 | C8 | 123.9° | 120.0° |
| C7 | N5 | H10 | 114.3° | 120.0° |
| C7 | C12 | C11 | 119.4° | 120.0° |
| C12 | C7 | C8 | 119.6° | 119.9° |
| C7 | C12 | H6 | 120.3° | 120.0° |
| C12 | C11 | F1 | 118.1° | 120.0° |
| C12 | C11 | C10 | 122.3° | 120.0° |
| C11 | C12 | H6 | 120.3° | 120.0° |
| C14 | N2 | C2 | 120.9° | 120.8° |
| C14 | N2 | C3 | 117.6° | 120.8° |
| N2 | C14 | H2 | 107.9° | 109.5° |
| N2 | C14 | H3 | 107.9° | 109.5° |
| C5 | N3 | C1 | 118.1° | 120.5° |
| F1 | C11 | C10 | 119.6° | 120.0° |
| C7 | C8 | C9 | 119.4° | 120.0° |
| C7 | C8 | H5 | 120.3° | 120.0° |
| N2 | C2 | C1 | 120.5° | 119.6° |
| C2 | N2 | C3 | 121.3° | 118.4° |
| C2 | C1 | N3 | 121.3° | 118.8° |
| C2 | C1 | N1 | 120.6° | 120.3° |
| C11 | C10 | C9 | 117.2° | 120.0° |
| C11 | C10 | O2 | 123.7° | 119.9° |
| N2 | C3 | O1 | 121.2° | 120.3° |
| N2 | C3 | C4 | 119.4° | 119.4° |
| N3 | C1 | N1 | 118.1° | 120.9° |
| C1 | N1 | C4 | 120.0° | 112.1° |
| C1 | N1 | C17 | 121.5° | 111.0° |
| C8 | C9 | C10 | 122.1° | 120.0° |
| C8 | C9 | F2 | 119.5° | 120.0° |
| C9 | C8 | H5 | 120.3° | 120.0° |
| C9 | C10 | O2 | 119.1° | 120.0° |
| C10 | C9 | F2 | 118.4° | 120.0° |
| C10 | O2 | H15 | 109.5° | 114.0° |
| O1 | C3 | C4 | 119.4° | 120.3° |
| C3 | C4 | N1 | 115.9° | 110.1° |
| C3 | C4 | C13 | 111.0° | 109.4° |
| C3 | C4 | H1 | 106.6° | 109.3° |
| C4 | N1 | C17 | 118.5° | 111.0° |
| N1 | C4 | C13 | 109.2° | 109.3° |
| N1 | C4 | H1 | 107.0° | 109.3° |
| N1 | C17 | H12 | 109.5° | 109.5° |
| N1 | C17 | H13 | 109.5° | 109.5° |
| N1 | C17 | H14 | 109.4° | 109.5° |
| C13 | C4 | H1 | 106.6° | 109.3° |
| C4 | C13 | H7 | 109.5° | 109.5° |
| C4 | C13 | H8 | 109.5° | 109.4° |
| C4 | C13 | H9 | 109.5° | 109.5° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H7 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.4° | 109.5° |
| H12 | C17 | H14 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | N2 | 123.9° | 77.6° |
| C16 | C15 | C14 | H2 | 115.2° | 162.5° |
| C16 | C15 | C14 | H3 | 3.0° | 42.5° |
| N4 | C6 | C2 | H4 | 180.0° | 179.9° |
| C6 | N4 | C5 | N5 | 179.1° | 179.9° |
| C6 | N4 | C5 | N3 | 0.1° | 0.3° |
| N4 | C6 | C2 | N2 | 177.7° | 179.8° |
| N4 | C6 | C2 | C1 | 0.4° | 0.3° |
| C5 | N4 | C6 | C2 | 0.5° | 0.3° |
| N4 | C5 | N5 | N3 | 179.3° | 179.8° |
| N4 | C5 | N5 | C7 | 164.6° | 5.7° |
| N4 | C5 | N3 | C1 | 0.4° | 0.1° |
| C5 | N4 | C6 | H4 | 179.5° | 179.6° |
| N4 | C5 | N5 | H10 | 15.4° | 174.2° |
| C15 | C14 | N2 | H2 | 120.9° | 120.0° |
| C15 | C14 | N2 | H3 | 120.9° | 120.0° |
| C15 | C14 | N2 | C2 | 87.4° | 89.9° |
| C15 | C14 | N2 | C3 | 97.1° | 90.0° |
| C15 | C14 | H2 | H3 | 117.1° | 120.0° |
| C14 | C15 | C16 | H11 | 34.5° | 174.6° |
| C6 | C2 | N2 | C14 | 3.5° | 17.6° |
| C6 | C2 | N2 | C1 | 178.0° | 180.0° |
| C6 | C2 | N2 | C3 | 171.9° | 162.3° |
| C6 | C2 | C1 | N3 | 0.2° | 0.1° |
| C6 | C2 | C1 | N1 | 178.7° | 179.7° |
| C5 | N5 | C7 | H10 | 180.0° | 179.9° |
| C5 | N5 | C7 | C12 | 157.2° | 33.7° |
| C5 | N5 | C7 | C8 | 24.2° | 146.3° |
| N5 | C5 | N3 | C1 | 179.6° | 180.0° |
| N5 | C7 | C12 | C8 | 178.6° | 180.0° |
| N5 | C7 | C12 | C11 | 179.1° | 179.9° |
| C7 | N5 | C5 | N3 | 16.1° | 174.5° |
| N5 | C7 | C8 | C9 | 179.6° | 180.0° |
| N5 | C7 | C8 | H5 | 0.4° | 0.0° |
| N5 | C7 | C12 | H6 | 0.9° | 0.1° |
| C7 | C12 | C11 | H6 | 180.0° | 180.0° |
| C7 | C12 | C11 | F1 | 179.9° | 179.8° |
| C7 | C12 | C11 | C10 | 0.3° | 0.1° |
| C12 | C7 | C8 | C9 | 1.1° | 0.1° |
| C12 | C7 | C8 | H5 | 178.9° | 180.0° |
| C12 | C7 | N5 | H10 | 22.8° | 146.4° |
| C12 | C11 | F1 | C10 | 179.8° | 179.7° |
| C11 | C12 | C7 | C8 | 0.4° | 0.1° |
| C12 | C11 | C10 | C9 | 0.4° | 0.0° |
| C12 | C11 | C10 | O2 | 179.4° | 180.0° |
| C14 | N2 | C2 | C3 | 175.3° | 179.9° |
| C14 | N2 | C2 | C1 | 178.5° | 162.3° |
| C14 | N2 | C3 | O1 | 2.8° | 1.3° |
| C14 | N2 | C3 | C4 | 175.4° | 178.7° |
| N2 | C14 | H2 | H3 | 117.1° | 120.1° |
| C5 | N3 | C1 | C2 | 0.5° | 0.1° |
| C5 | N3 | C1 | N1 | 178.4° | 179.7° |
| N3 | C5 | N5 | H10 | 163.9° | 5.6° |
| F1 | C11 | C10 | C9 | 179.8° | 179.7° |
| F1 | C11 | C10 | O2 | 0.4° | 0.3° |
| F1 | C11 | C12 | H6 | 0.1° | 0.3° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 1.0° | 0.0° |
| C7 | C8 | C9 | F2 | 179.5° | 180.0° |
| C8 | C7 | C12 | H6 | 179.6° | 179.9° |
| C8 | C7 | N5 | H10 | 155.7° | 33.7° |
| N2 | C2 | C1 | N3 | 178.3° | 179.9° |
| N2 | C2 | C1 | N1 | 0.5° | 0.3° |
| C2 | N2 | C3 | O1 | 178.3° | 178.7° |
| C2 | N2 | C3 | C4 | 0.1° | 1.3° |
| C2 | N2 | C14 | H2 | 151.7° | 30.0° |
| C2 | N2 | C14 | H3 | 33.5° | 150.1° |
| N2 | C2 | C6 | H4 | 2.3° | 0.3° |
| C1 | C2 | N2 | C3 | 6.1° | 17.7° |
| C2 | C1 | N3 | N1 | 178.9° | 179.8° |
| C2 | C1 | N1 | C4 | 13.2° | 35.5° |
| C2 | C1 | N1 | C17 | 169.3° | 160.3° |
| C1 | C2 | C6 | H4 | 179.6° | 179.7° |
| C11 | C10 | C9 | C8 | 0.3° | 0.0° |
| C11 | C10 | C9 | O2 | 179.8° | 180.0° |
| C11 | C10 | C9 | F2 | 179.7° | 180.0° |
| C10 | C11 | C12 | H6 | 179.7° | 179.9° |
| C11 | C10 | O2 | H15 | 180.0° | 90.0° |
| N2 | C3 | O1 | C4 | 178.2° | 180.0° |
| N2 | C3 | C4 | N1 | 12.0° | 35.1° |
| N2 | C3 | C4 | C13 | 113.3° | 155.3° |
| N2 | C3 | C4 | H1 | 131.0° | 85.0° |
| C3 | N2 | C14 | H2 | 23.8° | 150.0° |
| C3 | N2 | C14 | H3 | 142.0° | 30.0° |
| N3 | C1 | N1 | C4 | 165.7° | 144.7° |
| N3 | C1 | N1 | C17 | 11.8° | 19.9° |
| C1 | N1 | C4 | C3 | 18.6° | 50.6° |
| C1 | N1 | C4 | C17 | 177.6° | 124.8° |
| C1 | N1 | C4 | C13 | 107.7° | 170.8° |
| C1 | N1 | C4 | H1 | 137.3° | 69.6° |
| C1 | N1 | C17 | H12 | 180.0° | 174.7° |
| C1 | N1 | C17 | H13 | 60.0° | 54.6° |
| C1 | N1 | C17 | H14 | 60.0° | 65.3° |
| C8 | C9 | C10 | F2 | 179.4° | 180.0° |
| C8 | C9 | C10 | O2 | 179.9° | 180.0° |
| C10 | C9 | C8 | H5 | 178.9° | 180.0° |
| C9 | C10 | O2 | H15 | 0.2° | 90.0° |
| O2 | C10 | C9 | F2 | 0.4° | 0.0° |
| O1 | C3 | C4 | N1 | 169.8° | 144.9° |
| O1 | C3 | C4 | C13 | 64.9° | 24.7° |
| O1 | C3 | C4 | H1 | 50.8° | 95.0° |
| C3 | C4 | N1 | C13 | 126.2° | 120.2° |
| C3 | C4 | N1 | H1 | 118.7° | 120.1° |
| C3 | C4 | N1 | C17 | 163.8° | 175.4° |
| C3 | C4 | C13 | H1 | 115.7° | 119.7° |
| C3 | C4 | C13 | H7 | 180.0° | 179.7° |
| C3 | C4 | C13 | H8 | 60.0° | 59.6° |
| C3 | C4 | C13 | H9 | 60.0° | 60.3° |
| F2 | C9 | C8 | H5 | 0.5° | 0.0° |
| N1 | C4 | C13 | H1 | 115.3° | 119.6° |
| N1 | C4 | C13 | H7 | 51.1° | 59.6° |
| N1 | C4 | C13 | H8 | 171.0° | 179.7° |
| N1 | C4 | C13 | H9 | 68.9° | 60.4° |
| C4 | N1 | C17 | H12 | 2.4° | 60.0° |
| C4 | N1 | C17 | H13 | 117.6° | 180.0° |
| C4 | N1 | C17 | H14 | 122.4° | 60.0° |
| C17 | N1 | C4 | C13 | 70.0° | 64.4° |
| C17 | N1 | C4 | H1 | 45.1° | 55.2° |
| N1 | C17 | H12 | H13 | 120.0° | 120.1° |
| N1 | C17 | H12 | H14 | 120.0° | 120.0° |
| N1 | C17 | H13 | H14 | 120.0° | 120.0° |
| C4 | C13 | H7 | H8 | 120.0° | 120.0° |
| C4 | C13 | H7 | H9 | 120.0° | 120.0° |
| C4 | C13 | H8 | H9 | 120.0° | 120.0° |
| H1 | C4 | C13 | H7 | 64.3° | 60.0° |
| H1 | C4 | C13 | H8 | 55.7° | 60.0° |
| H1 | C4 | C13 | H9 | 175.7° | 180.0° |
| H7 | C13 | H8 | H9 | 120.0° | 120.0° |
| H12 | C17 | H13 | H14 | 120.0° | 119.9° |
