EJ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | O26 | sing | 1.43Å | 1.34Å | |
| O26 | C23 | sing | 1.36Å | 1.33Å | |
| C23 | C22 | doub | 1.40Å | 1.37Å | Aromatic |
| C23 | N24 | sing | 1.33Å | 1.33Å | Aromatic |
| C22 | N21 | sing | 1.32Å | 1.29Å | Aromatic |
| N24 | C25 | doub | 1.32Å | 1.32Å | Aromatic |
| N21 | C19 | doub | 1.33Å | 1.32Å | Aromatic |
| C25 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.48Å | 1.42Å | |
| C18 | O20 | doub | 1.22Å | 1.23Å | |
| C18 | N8 | sing | 1.35Å | 1.34Å | |
| N8 | C1 | sing | 1.40Å | 1.45Å | |
| N16 | C14 | sing | 1.37Å | 1.40Å | |
| C1 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | N15 | doub | 1.30Å | 1.27Å | |
| C14 | O13 | sing | 1.37Å | 1.35Å | |
| C2 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| N15 | C9 | sing | 1.47Å | 1.45Å | |
| O13 | C12 | sing | 1.44Å | 1.42Å | |
| C5 | C9 | sing | 1.51Å | 1.57Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C9 | C11 | sing | 1.54Å | 1.53Å | |
| C4 | F7 | sing | 1.35Å | 1.33Å | |
| C12 | C11 | sing | 1.54Å | 1.50Å | |
| C12 | C17 | sing | 1.53Å | 1.49Å | |
| C11 | C17 | sing | 1.53Å | 1.51Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H90 | sing | 1.09Å | 1.10Å | |
| C12 | H88 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H92 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| N16 | HAC | sing | 0.97Å | 1.00Å | |
| N16 | HAB | sing | 0.97Å | 1.00Å | |
| N8 | HAA | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | O26 | C23 | 118.4° | 117.0° |
| O26 | C27 | H271 | 109.5° | 109.5° |
| O26 | C27 | H272 | 109.5° | 109.5° |
| O26 | C27 | H273 | 109.4° | 109.5° |
| O26 | C23 | C22 | 115.7° | 120.0° |
| O26 | C23 | N24 | 125.8° | 120.0° |
| C22 | C23 | N24 | 118.6° | 120.1° |
| C23 | C22 | N21 | 120.6° | 120.1° |
| C23 | C22 | H221 | 119.7° | 120.0° |
| C23 | N24 | C25 | 120.5° | 120.0° |
| C22 | N21 | C19 | 122.6° | 120.0° |
| N21 | C22 | H221 | 119.7° | 120.0° |
| N24 | C25 | C19 | 120.8° | 120.0° |
| N24 | C25 | H251 | 119.6° | 120.0° |
| N21 | C19 | C25 | 116.9° | 120.0° |
| N21 | C19 | C18 | 121.8° | 120.0° |
| C25 | C19 | C18 | 121.2° | 120.0° |
| C19 | C25 | H251 | 119.6° | 120.0° |
| C19 | C18 | O20 | 121.3° | 120.0° |
| C19 | C18 | N8 | 116.7° | 120.0° |
| O20 | C18 | N8 | 122.0° | 120.0° |
| C18 | N8 | C1 | 127.6° | 120.0° |
| C18 | N8 | HAA | 116.2° | 120.0° |
| N8 | C1 | C6 | 115.4° | 120.1° |
| N8 | C1 | C2 | 126.6° | 120.0° |
| C1 | N8 | HAA | 116.2° | 120.0° |
| N16 | C14 | N15 | 119.8° | 119.6° |
| N16 | C14 | O13 | 117.1° | 119.1° |
| C14 | N16 | HAC | 120.0° | 120.0° |
| C14 | N16 | HAB | 120.0° | 120.0° |
| C6 | C1 | C2 | 117.9° | 119.9° |
| C1 | C6 | C5 | 125.3° | 119.9° |
| C1 | C6 | H61 | 117.4° | 120.0° |
| C1 | C2 | C3 | 118.4° | 120.0° |
| C1 | C2 | H21 | 120.8° | 120.0° |
| C6 | C5 | C9 | 121.5° | 119.9° |
| C6 | C5 | C4 | 115.5° | 120.1° |
| C5 | C6 | H61 | 117.3° | 120.1° |
| N15 | C14 | O13 | 123.1° | 121.3° |
| C14 | N15 | C9 | 124.3° | 120.9° |
| C14 | O13 | C12 | 123.2° | 115.2° |
| C2 | C3 | C4 | 123.4° | 120.0° |
| C3 | C2 | H21 | 120.8° | 120.0° |
| C2 | C3 | H31 | 118.3° | 120.0° |
| N15 | C9 | C5 | 109.0° | 109.7° |
| N15 | C9 | C10 | 105.2° | 109.7° |
| N15 | C9 | C11 | 112.5° | 108.3° |
| O13 | C12 | C11 | 114.6° | 113.6° |
| O13 | C12 | C17 | 100.1° | 117.2° |
| O13 | C12 | H88 | 122.4° | 116.6° |
| C9 | C5 | C4 | 123.0° | 120.0° |
| C5 | C9 | C10 | 110.1° | 109.7° |
| C5 | C9 | C11 | 107.5° | 109.7° |
| C5 | C4 | C3 | 119.4° | 120.1° |
| C5 | C4 | F7 | 121.0° | 120.0° |
| C3 | C4 | F7 | 119.6° | 119.9° |
| C4 | C3 | H31 | 118.3° | 120.0° |
| C10 | C9 | C11 | 112.5° | 109.7° |
| C9 | C10 | H102 | 109.5° | 109.4° |
| C9 | C10 | H103 | 109.5° | 109.5° |
| C9 | C10 | H101 | 109.5° | 109.5° |
| C9 | C11 | C12 | 116.6° | 114.8° |
| C9 | C11 | C17 | 119.6° | 116.6° |
| C9 | C11 | H90 | 116.1° | 116.4° |
| C11 | C12 | C17 | 60.3° | 59.8° |
| C12 | C11 | C17 | 59.5° | 59.6° |
| C12 | C11 | H90 | 116.5° | 118.8° |
| C11 | C12 | H88 | 120.3° | 118.8° |
| C12 | C17 | C11 | 60.2° | 60.6° |
| C17 | C12 | H88 | 120.6° | 118.6° |
| C12 | C17 | H171 | 119.9° | 117.5° |
| C12 | C17 | H92 | 120.0° | 117.4° |
| C17 | C11 | H90 | 116.5° | 118.7° |
| C11 | C17 | H171 | 120.0° | 117.4° |
| C11 | C17 | H92 | 120.0° | 117.4° |
| H102 | C10 | H103 | 109.4° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H103 | C10 | H101 | 109.5° | 109.5° |
| H171 | C17 | H92 | 109.5° | 115.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.5° | 109.4° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| HAC | N16 | HAB | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | O26 | C23 | C22 | 178.0° | 180.0° |
| C27 | O26 | C23 | N24 | 1.8° | 0.2° |
| O26 | C27 | H271 | H272 | 120.0° | 120.0° |
| O26 | C27 | H271 | H273 | 120.0° | 120.0° |
| O26 | C27 | H272 | H273 | 120.0° | 120.0° |
| O26 | C23 | C22 | N24 | 179.8° | 179.8° |
| O26 | C23 | C22 | N21 | 179.6° | 180.0° |
| O26 | C23 | N24 | C25 | 179.6° | 180.0° |
| O26 | C23 | C22 | H221 | 0.3° | 0.1° |
| C23 | O26 | C27 | H271 | 180.0° | 60.0° |
| C23 | O26 | C27 | H272 | 60.0° | 59.9° |
| C23 | O26 | C27 | H273 | 60.0° | 180.0° |
| C23 | C22 | N21 | H221 | 180.0° | 179.9° |
| C22 | C23 | N24 | C25 | 0.2° | 0.2° |
| C23 | C22 | N21 | C19 | 0.6° | 0.1° |
| N24 | C23 | C22 | N21 | 0.2° | 0.2° |
| C23 | N24 | C25 | C19 | 0.6° | 0.0° |
| N24 | C23 | C22 | H221 | 179.9° | 179.7° |
| C23 | N24 | C25 | H251 | 179.4° | 180.0° |
| C22 | N21 | C19 | C25 | 1.3° | 0.3° |
| C22 | N21 | C19 | C18 | 178.2° | 180.0° |
| N24 | C25 | C19 | N21 | 1.3° | 0.3° |
| N24 | C25 | C19 | H251 | 180.0° | 179.9° |
| N24 | C25 | C19 | C18 | 178.2° | 180.0° |
| N21 | C19 | C25 | C18 | 176.9° | 179.7° |
| N21 | C19 | C18 | O20 | 170.5° | 179.7° |
| N21 | C19 | C18 | N8 | 10.5° | 0.3° |
| C19 | N21 | C22 | H221 | 179.4° | 180.0° |
| N21 | C19 | C25 | H251 | 178.7° | 179.8° |
| C25 | C19 | C18 | O20 | 12.8° | 0.1° |
| C25 | C19 | C18 | N8 | 166.3° | 180.0° |
| C19 | C18 | O20 | N8 | 179.0° | 180.0° |
| C19 | C18 | N8 | C1 | 176.3° | 174.7° |
| C18 | C19 | C25 | H251 | 1.8° | 0.1° |
| C19 | C18 | N8 | HAA | 3.7° | 5.3° |
| O20 | C18 | N8 | C1 | 2.8° | 5.2° |
| O20 | C18 | N8 | HAA | 177.2° | 174.7° |
| C18 | N8 | C1 | HAA | 180.0° | 180.0° |
| C18 | N8 | C1 | C6 | 163.9° | 146.7° |
| C18 | N8 | C1 | C2 | 11.6° | 33.5° |
| N8 | C1 | C6 | C2 | 175.9° | 179.7° |
| N8 | C1 | C6 | C5 | 178.1° | 179.7° |
| N8 | C1 | C2 | C3 | 177.6° | 179.7° |
| N8 | C1 | C2 | H21 | 2.4° | 0.3° |
| N8 | C1 | C6 | H61 | 1.9° | 0.2° |
| N16 | C14 | N15 | O13 | 178.1° | 178.6° |
| N16 | C14 | N15 | C9 | 178.6° | 179.5° |
| N16 | C14 | O13 | C12 | 174.6° | 137.4° |
| C14 | N16 | HAC | HAB | 179.9° | 180.0° |
| C1 | C6 | C5 | H61 | 180.0° | 179.9° |
| C6 | C1 | C2 | C3 | 2.2° | 0.0° |
| C1 | C6 | C5 | C9 | 178.9° | 180.0° |
| C1 | C6 | C5 | C4 | 1.5° | 0.0° |
| C6 | C1 | C2 | H21 | 177.8° | 180.0° |
| C6 | C1 | N8 | HAA | 16.1° | 33.2° |
| C2 | C1 | C6 | C5 | 2.2° | 0.0° |
| C1 | C2 | C3 | H21 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.7° | 0.0° |
| C1 | C2 | C3 | H31 | 178.3° | 180.0° |
| C2 | C1 | C6 | H61 | 177.8° | 179.9° |
| C2 | C1 | N8 | HAA | 168.4° | 146.5° |
| C6 | C5 | C9 | N15 | 17.0° | 0.6° |
| C6 | C5 | C9 | C4 | 179.6° | 180.0° |
| C6 | C5 | C4 | C3 | 0.8° | 0.0° |
| C6 | C5 | C9 | C10 | 131.9° | 120.0° |
| C6 | C5 | C9 | C11 | 105.2° | 119.4° |
| C6 | C5 | C4 | F7 | 179.6° | 180.0° |
| N15 | C14 | O13 | C12 | 3.5° | 41.2° |
| C14 | N15 | C9 | C5 | 100.2° | 160.3° |
| C14 | N15 | C9 | C10 | 141.7° | 79.1° |
| C14 | N15 | C9 | C11 | 18.9° | 40.6° |
| N15 | C14 | N16 | HAC | 0.0° | 0.0° |
| N15 | C14 | N16 | HAB | 180.0° | 179.9° |
| O13 | C14 | N15 | C9 | 3.4° | 1.9° |
| C14 | O13 | C12 | C11 | 6.9° | 38.4° |
| C14 | O13 | C12 | C17 | 68.7° | 105.3° |
| C14 | O13 | C12 | H88 | 154.8° | 105.5° |
| O13 | C14 | N16 | HAC | 178.2° | 178.7° |
| O13 | C14 | N16 | HAB | 1.9° | 1.3° |
| C2 | C3 | C4 | C5 | 1.0° | 0.0° |
| C2 | C3 | C4 | H31 | 180.0° | 180.0° |
| C2 | C3 | C4 | F7 | 179.4° | 180.0° |
| N15 | C9 | C5 | C10 | 114.9° | 120.6° |
| N15 | C9 | C5 | C11 | 122.2° | 118.8° |
| N15 | C9 | C5 | C4 | 163.4° | 179.4° |
| N15 | C9 | C10 | C11 | 122.8° | 118.8° |
| N15 | C9 | C11 | C12 | 27.7° | 37.5° |
| N15 | C9 | C11 | C17 | 40.7° | 104.4° |
| N15 | C9 | C10 | H102 | 180.0° | 60.6° |
| N15 | C9 | C10 | H103 | 60.0° | 59.4° |
| N15 | C9 | C10 | H101 | 60.0° | 179.4° |
| N15 | C9 | C11 | H90 | 171.1° | 107.7° |
| O13 | C12 | C11 | C9 | 22.5° | 1.3° |
| O13 | C12 | C11 | C17 | 87.8° | 108.8° |
| O13 | C12 | C11 | H88 | 162.1° | 143.0° |
| O13 | C12 | C17 | H88 | 137.5° | 148.6° |
| O13 | C12 | C11 | H90 | 165.7° | 143.0° |
| O13 | C12 | C17 | H171 | 3.2° | 149.5° |
| O13 | C12 | C17 | H92 | 137.8° | 4.7° |
| C9 | C5 | C4 | C3 | 179.6° | 180.0° |
| C5 | C9 | C10 | C11 | 119.9° | 120.6° |
| C9 | C5 | C4 | F7 | 0.0° | 0.0° |
| C5 | C9 | C11 | C12 | 92.3° | 157.2° |
| C5 | C9 | C11 | C17 | 160.7° | 135.9° |
| C5 | C9 | C10 | H102 | 62.6° | 60.0° |
| C5 | C9 | C10 | H103 | 57.4° | 180.0° |
| C5 | C9 | C10 | H101 | 177.3° | 59.9° |
| C5 | C9 | C11 | H90 | 51.0° | 12.0° |
| C9 | C5 | C6 | H61 | 1.1° | 0.1° |
| C5 | C4 | C3 | F7 | 179.6° | 180.0° |
| C4 | C5 | C9 | C10 | 48.5° | 60.0° |
| C4 | C5 | C9 | C11 | 74.4° | 60.5° |
| C5 | C4 | C3 | H31 | 179.0° | 180.0° |
| C4 | C5 | C6 | H61 | 178.5° | 179.9° |
| C4 | C3 | C2 | H21 | 178.3° | 180.0° |
| C10 | C9 | C11 | C12 | 146.3° | 82.2° |
| C10 | C9 | C11 | C17 | 77.9° | 15.3° |
| C9 | C10 | H102 | H103 | 120.0° | 120.0° |
| C9 | C10 | H102 | H101 | 120.0° | 120.0° |
| C9 | C10 | H103 | H101 | 120.0° | 120.1° |
| C10 | C9 | C11 | H90 | 70.4° | 132.6° |
| C9 | C11 | C12 | C17 | 110.3° | 107.5° |
| C9 | C11 | C12 | H90 | 143.2° | 144.3° |
| C9 | C11 | C17 | H90 | 148.2° | 147.1° |
| C11 | C9 | C10 | H102 | 57.2° | 179.4° |
| C11 | C9 | C10 | H103 | 177.2° | 59.4° |
| C11 | C9 | C10 | H101 | 62.8° | 60.6° |
| C9 | C11 | C12 | H88 | 139.6° | 144.3° |
| C9 | C11 | C17 | H171 | 4.2° | 147.8° |
| C9 | C11 | C17 | H92 | 145.3° | 3.2° |
| F7 | C4 | C3 | H31 | 0.6° | 0.0° |
| C11 | C12 | C17 | H88 | 109.8° | 108.5° |
| C12 | C11 | C17 | H90 | 106.6° | 108.4° |
| C11 | C12 | C17 | H171 | 109.5° | 107.6° |
| C11 | C12 | C17 | H92 | 109.5° | 107.6° |
| C12 | C17 | H171 | H92 | 144.6° | 145.5° |
| C11 | C17 | H171 | H92 | 144.7° | 145.3° |
| H102 | C10 | H103 | H101 | 120.0° | 120.0° |
| H90 | C11 | C12 | H88 | 3.6° | 0.0° |
| H90 | C11 | C17 | H171 | 143.9° | 0.7° |
| H90 | C11 | C17 | H92 | 2.9° | 143.9° |
| H88 | C12 | C17 | H171 | 140.7° | 0.9° |
| H88 | C12 | C17 | H92 | 0.2° | 143.9° |
| H21 | C2 | C3 | H31 | 1.7° | 0.0° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
