EHW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N20 | O19 | sing | 1.21Å | 1.43Å | Aromatic |
| N20 | C21 | doub | 1.30Å | 1.30Å | Aromatic |
| O19 | C18 | sing | 1.34Å | 1.35Å | Aromatic |
| C23 | C21 | sing | 1.51Å | 1.49Å | |
| C21 | C17 | sing | 1.42Å | 1.43Å | Aromatic |
| C18 | C17 | doub | 1.37Å | 1.37Å | Aromatic |
| C18 | C22 | sing | 1.51Å | 1.48Å | |
| C17 | C12 | sing | 1.48Å | 1.47Å | |
| C12 | N13 | sing | 1.34Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| N13 | C14 | doub | 1.31Å | 1.31Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | N7 | sing | 1.31Å | 1.32Å | Aromatic |
| N7 | C6 | doub | 1.34Å | 1.38Å | Aromatic |
| C6 | C3 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| C10 | C5 | doub | 1.46Å | 1.43Å | Aromatic |
| C10 | C11 | sing | 1.47Å | 1.48Å | |
| C3 | C2 | doub | 1.36Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | C1 | doub | 1.36Å | 1.36Å | Aromatic |
| C11 | N15 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | F24 | sing | 1.35Å | 1.36Å | |
| C14 | N15 | sing | 1.35Å | 1.36Å | Aromatic |
| N15 | C16 | sing | 1.47Å | 1.46Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | N20 | C21 | 106.1° | 112.0° |
| N20 | O19 | C18 | 108.8° | 111.9° |
| N20 | C21 | C23 | 119.6° | 126.9° |
| N20 | C21 | C17 | 111.1° | 106.2° |
| O19 | C18 | C17 | 109.2° | 106.2° |
| O19 | C18 | C22 | 116.4° | 126.9° |
| C23 | C21 | C17 | 129.3° | 126.9° |
| C21 | C23 | H11 | 109.5° | 109.5° |
| C21 | C23 | H12 | 109.5° | 109.4° |
| C21 | C23 | H13 | 109.5° | 109.4° |
| C21 | C17 | C18 | 104.9° | 103.7° |
| C21 | C17 | C12 | 128.3° | 128.2° |
| C17 | C18 | C22 | 134.5° | 126.9° |
| C18 | C17 | C12 | 126.8° | 128.2° |
| C18 | C22 | H3 | 109.5° | 109.5° |
| C18 | C22 | H4 | 109.5° | 109.5° |
| C18 | C22 | H5 | 109.5° | 109.5° |
| C17 | C12 | N13 | 119.3° | 126.3° |
| C17 | C12 | C11 | 130.2° | 126.3° |
| N13 | C12 | C11 | 110.5° | 107.4° |
| C12 | N13 | C14 | 104.6° | 109.6° |
| C12 | C11 | C10 | 130.8° | 127.0° |
| C12 | C11 | N15 | 105.2° | 106.0° |
| N13 | C14 | N15 | 113.5° | 109.6° |
| N13 | C14 | H7 | 123.2° | 125.2° |
| C8 | C9 | C10 | 119.1° | 119.5° |
| C9 | C8 | N7 | 124.6° | 122.6° |
| C9 | C8 | H2 | 117.7° | 118.7° |
| C8 | C9 | H15 | 120.4° | 120.2° |
| C9 | C10 | C5 | 119.3° | 117.1° |
| C9 | C10 | C11 | 118.8° | 121.4° |
| C10 | C9 | H15 | 120.4° | 120.3° |
| C8 | N7 | C6 | 117.3° | 122.4° |
| N7 | C8 | H2 | 117.7° | 118.7° |
| N7 | C6 | C3 | 117.9° | 121.2° |
| N7 | C6 | C5 | 122.7° | 119.9° |
| C3 | C6 | C5 | 119.3° | 118.9° |
| C6 | C3 | C2 | 118.7° | 119.8° |
| C6 | C3 | H14 | 120.7° | 120.1° |
| C6 | C5 | C10 | 116.8° | 118.4° |
| C6 | C5 | C4 | 118.4° | 120.0° |
| C5 | C10 | C11 | 121.8° | 121.4° |
| C10 | C5 | C4 | 124.7° | 121.6° |
| C10 | C11 | N15 | 123.9° | 127.0° |
| C3 | C2 | C1 | 123.4° | 121.0° |
| C3 | C2 | F24 | 118.9° | 119.5° |
| C2 | C3 | H14 | 120.6° | 120.1° |
| C5 | C4 | C1 | 121.0° | 119.6° |
| C5 | C4 | H1 | 119.5° | 120.2° |
| C4 | C1 | C2 | 119.0° | 120.7° |
| C1 | C4 | H1 | 119.5° | 120.2° |
| C4 | C1 | H6 | 120.5° | 119.7° |
| C11 | N15 | C14 | 106.1° | 107.4° |
| C11 | N15 | C16 | 128.1° | 126.3° |
| C1 | C2 | F24 | 117.7° | 119.5° |
| C2 | C1 | H6 | 120.5° | 119.6° |
| C14 | N15 | C16 | 125.6° | 126.3° |
| N15 | C14 | H7 | 123.2° | 125.2° |
| N15 | C16 | H8 | 109.5° | 109.5° |
| N15 | C16 | H9 | 109.5° | 109.5° |
| N15 | C16 | H10 | 109.5° | 109.4° |
| H3 | C22 | H4 | 109.5° | 109.5° |
| H3 | C22 | H5 | 109.4° | 109.4° |
| H4 | C22 | H5 | 109.5° | 109.4° |
| H8 | C16 | H9 | 109.4° | 109.5° |
| H8 | C16 | H10 | 109.5° | 109.5° |
| H9 | C16 | H10 | 109.4° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H11 | C23 | H13 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | N20 | C21 | C23 | 179.5° | 179.9° |
| O19 | N20 | C21 | C17 | 1.5° | 0.2° |
| N20 | O19 | C18 | C17 | 0.5° | 0.3° |
| N20 | O19 | C18 | C22 | 179.9° | 179.8° |
| C21 | N20 | O19 | C18 | 1.3° | 0.0° |
| N20 | C21 | C23 | C17 | 177.6° | 179.9° |
| N20 | C21 | C17 | C18 | 1.2° | 0.3° |
| N20 | C21 | C17 | C12 | 179.1° | 180.0° |
| N20 | C21 | C23 | H11 | 0.0° | 88.5° |
| N20 | C21 | C23 | H12 | 120.0° | 31.5° |
| N20 | C21 | C23 | H13 | 120.0° | 151.5° |
| O19 | C18 | C17 | C21 | 0.3° | 0.3° |
| O19 | C18 | C17 | C22 | 179.2° | 179.9° |
| O19 | C18 | C17 | C12 | 179.9° | 180.0° |
| O19 | C18 | C22 | H3 | 0.0° | 95.3° |
| O19 | C18 | C22 | H4 | 120.0° | 24.8° |
| O19 | C18 | C22 | H5 | 120.0° | 144.7° |
| C23 | C21 | C17 | C18 | 179.0° | 179.7° |
| C23 | C21 | C17 | C12 | 1.2° | 0.1° |
| C21 | C23 | H11 | H12 | 120.0° | 120.0° |
| C21 | C23 | H11 | H13 | 120.0° | 120.0° |
| C21 | C23 | H12 | H13 | 120.0° | 120.0° |
| C21 | C17 | C18 | C12 | 179.8° | 179.6° |
| C21 | C17 | C18 | C22 | 178.8° | 179.8° |
| C21 | C17 | C12 | N13 | 127.4° | 122.7° |
| C21 | C17 | C12 | C11 | 52.2° | 57.3° |
| C17 | C21 | C23 | H11 | 177.7° | 91.5° |
| C17 | C21 | C23 | H12 | 57.6° | 148.6° |
| C17 | C21 | C23 | H13 | 62.3° | 28.6° |
| C18 | C17 | C12 | N13 | 52.3° | 56.9° |
| C18 | C17 | C12 | C11 | 128.1° | 123.1° |
| C17 | C18 | C22 | H3 | 179.1° | 84.8° |
| C17 | C18 | C22 | H4 | 59.1° | 155.1° |
| C17 | C18 | C22 | H5 | 60.9° | 35.2° |
| C22 | C18 | C17 | C12 | 0.9° | 0.1° |
| C18 | C22 | H3 | H4 | 120.0° | 120.1° |
| C18 | C22 | H3 | H5 | 120.0° | 120.0° |
| C18 | C22 | H4 | H5 | 120.0° | 120.0° |
| C17 | C12 | N13 | C11 | 179.7° | 180.0° |
| C17 | C12 | N13 | C14 | 178.7° | 180.0° |
| C17 | C12 | C11 | C10 | 3.4° | 0.0° |
| C17 | C12 | C11 | N15 | 179.9° | 179.7° |
| N13 | C12 | C11 | C10 | 176.9° | 180.0° |
| N13 | C12 | C11 | N15 | 0.3° | 0.3° |
| C12 | N13 | C14 | N15 | 2.4° | 0.3° |
| C12 | N13 | C14 | H7 | 177.6° | 179.8° |
| C11 | C12 | N13 | C14 | 1.6° | 0.0° |
| C12 | C11 | C10 | C9 | 63.7° | 81.7° |
| C12 | C11 | C10 | C5 | 116.4° | 98.2° |
| C12 | C11 | C10 | N15 | 176.1° | 179.6° |
| C12 | C11 | N15 | C14 | 1.1° | 0.5° |
| C12 | C11 | N15 | C16 | 176.7° | 179.7° |
| N13 | C14 | N15 | C11 | 2.3° | 0.5° |
| N13 | C14 | N15 | H7 | 180.0° | 179.6° |
| N13 | C14 | N15 | C16 | 178.1° | 179.7° |
| C8 | C9 | C10 | H15 | 180.0° | 180.0° |
| C9 | C8 | N7 | H2 | 180.0° | 179.9° |
| C9 | C8 | N7 | C6 | 1.9° | 0.1° |
| C8 | C9 | C10 | C5 | 1.7° | 0.0° |
| C8 | C9 | C10 | C11 | 178.2° | 179.9° |
| C10 | C9 | C8 | N7 | 0.9° | 0.0° |
| C9 | C10 | C5 | C6 | 0.4° | 0.0° |
| C9 | C10 | C5 | C11 | 179.9° | 179.9° |
| C9 | C10 | C5 | C4 | 176.4° | 180.0° |
| C9 | C10 | C11 | N15 | 112.4° | 97.9° |
| C10 | C9 | C8 | H2 | 179.1° | 179.9° |
| C8 | N7 | C6 | C3 | 179.5° | 179.9° |
| C8 | N7 | C6 | C5 | 4.1° | 0.1° |
| N7 | C8 | C9 | H15 | 179.0° | 180.0° |
| N7 | C6 | C3 | C5 | 176.5° | 179.9° |
| N7 | C6 | C5 | C10 | 3.4° | 0.0° |
| N7 | C6 | C3 | C2 | 178.5° | 179.9° |
| N7 | C6 | C5 | C4 | 179.7° | 180.0° |
| C6 | N7 | C8 | H2 | 178.1° | 180.0° |
| N7 | C6 | C3 | H14 | 1.5° | 0.1° |
| C3 | C6 | C5 | C10 | 179.7° | 180.0° |
| C6 | C3 | C2 | H14 | 180.0° | 180.0° |
| C3 | C6 | C5 | C4 | 4.0° | 0.0° |
| C6 | C3 | C2 | C1 | 0.9° | 0.0° |
| C6 | C3 | C2 | F24 | 178.0° | 180.0° |
| C6 | C5 | C10 | C4 | 176.1° | 180.0° |
| C6 | C5 | C10 | C11 | 179.8° | 179.9° |
| C5 | C6 | C3 | C2 | 2.0° | 0.0° |
| C6 | C5 | C4 | C1 | 3.3° | 0.0° |
| C6 | C5 | C4 | H1 | 176.7° | 179.7° |
| C5 | C6 | C3 | H14 | 178.0° | 180.0° |
| C10 | C5 | C4 | C1 | 179.3° | 179.9° |
| C5 | C10 | C11 | N15 | 67.5° | 82.2° |
| C10 | C5 | C4 | H1 | 0.7° | 0.3° |
| C5 | C10 | C9 | H15 | 178.3° | 179.9° |
| C11 | C10 | C5 | C4 | 3.7° | 0.1° |
| C10 | C11 | N15 | C14 | 175.8° | 179.9° |
| C10 | C11 | N15 | C16 | 0.2° | 0.1° |
| C11 | C10 | C9 | H15 | 1.8° | 0.0° |
| C3 | C2 | C1 | C4 | 1.7° | 0.1° |
| C3 | C2 | C1 | F24 | 178.9° | 180.0° |
| C3 | C2 | C1 | H6 | 178.4° | 180.0° |
| C5 | C4 | C1 | H1 | 180.0° | 179.8° |
| C5 | C4 | C1 | C2 | 0.5° | 0.1° |
| C5 | C4 | C1 | H6 | 179.4° | 180.0° |
| C4 | C1 | C2 | H6 | 180.0° | 179.9° |
| C4 | C1 | C2 | F24 | 177.2° | 180.0° |
| C11 | N15 | C14 | C16 | 175.8° | 179.8° |
| C11 | N15 | C14 | H7 | 177.7° | 180.0° |
| C11 | N15 | C16 | H8 | 180.0° | 89.9° |
| C11 | N15 | C16 | H9 | 60.0° | 150.0° |
| C11 | N15 | C16 | H10 | 60.0° | 30.1° |
| C2 | C1 | C4 | H1 | 179.5° | 179.7° |
| C1 | C2 | C3 | H14 | 179.1° | 180.0° |
| F24 | C2 | C1 | H6 | 2.7° | 0.1° |
| F24 | C2 | C3 | H14 | 2.0° | 0.0° |
| C14 | N15 | C16 | H8 | 5.2° | 89.8° |
| C14 | N15 | C16 | H9 | 125.2° | 30.2° |
| C14 | N15 | C16 | H10 | 114.9° | 150.2° |
| C16 | N15 | C14 | H7 | 1.9° | 0.2° |
| N15 | C16 | H8 | H9 | 120.0° | 120.0° |
| N15 | C16 | H8 | H10 | 120.0° | 119.9° |
| N15 | C16 | H9 | H10 | 120.0° | 119.9° |
| H1 | C4 | C1 | H6 | 0.5° | 0.2° |
| H2 | C8 | C9 | H15 | 0.9° | 0.1° |
| H3 | C22 | H4 | H5 | 120.0° | 119.9° |
| H8 | C16 | H9 | H10 | 120.0° | 120.0° |
| H11 | C23 | H12 | H13 | 120.0° | 120.0° |
