5EG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C26 | sing | 1.74Å | 1.74Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | N22 | sing | 1.40Å | 1.42Å | |
| N22 | C20 | sing | 1.35Å | 1.35Å | |
| CL1 | C16 | sing | 1.74Å | 1.74Å | |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | O21 | doub | 1.22Å | 1.22Å | |
| C20 | N19 | sing | 1.35Å | 1.36Å | |
| C16 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| N19 | N18 | sing | 1.40Å | 1.46Å | |
| C14 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | O10 | sing | 1.36Å | 1.42Å | |
| C11 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | N4 | sing | 1.47Å | 1.46Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| O10 | C9 | sing | 1.43Å | 1.45Å | |
| N18 | C2 | sing | 1.35Å | 1.34Å | |
| C13 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| N4 | N5 | sing | 1.29Å | 1.35Å | Aromatic |
| N4 | C8 | sing | 1.35Å | 1.32Å | Aromatic |
| N5 | N6 | doub | 1.29Å | 1.35Å | Aromatic |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | N7 | doub | 1.31Å | 1.27Å | Aromatic |
| N6 | N7 | sing | 1.29Å | 1.42Å | Aromatic |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C25 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.08Å | 1.08Å | |
| C29 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| N18 | H13 | sing | 0.97Å | 1.00Å | |
| N19 | H14 | sing | 0.97Å | 1.00Å | |
| N22 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C26 | C25 | 120.1° | 120.0° |
| CL2 | C26 | C28 | 119.0° | 119.9° |
| C26 | C25 | C24 | 118.2° | 120.1° |
| C25 | C26 | C28 | 121.0° | 120.1° |
| C26 | C25 | H8 | 120.9° | 119.9° |
| C25 | C24 | C23 | 121.4° | 119.9° |
| C25 | C24 | H7 | 119.3° | 120.0° |
| C24 | C25 | H8 | 120.9° | 120.0° |
| C26 | C28 | C29 | 120.7° | 120.0° |
| C26 | C28 | H9 | 119.6° | 120.0° |
| C24 | C23 | C29 | 119.9° | 119.9° |
| C24 | C23 | N22 | 116.2° | 120.1° |
| C23 | C24 | H7 | 119.3° | 120.0° |
| C28 | C29 | C23 | 118.9° | 119.9° |
| C29 | C28 | H9 | 119.7° | 120.0° |
| C28 | C29 | H10 | 120.6° | 120.0° |
| C29 | C23 | N22 | 123.8° | 120.0° |
| C23 | C29 | H10 | 120.6° | 120.0° |
| C23 | N22 | C20 | 126.6° | 120.0° |
| C23 | N22 | H15 | 116.8° | 120.0° |
| N22 | C20 | O21 | 121.3° | 120.0° |
| N22 | C20 | N19 | 120.8° | 120.1° |
| C20 | N22 | H15 | 116.7° | 120.0° |
| CL1 | C16 | C15 | 119.5° | 120.0° |
| CL1 | C16 | C11 | 117.4° | 120.0° |
| C16 | C15 | C14 | 118.7° | 120.0° |
| C15 | C16 | C11 | 123.1° | 120.0° |
| C16 | C15 | H6 | 120.7° | 120.0° |
| C15 | C14 | C13 | 119.5° | 120.1° |
| C15 | C14 | H5 | 120.3° | 120.0° |
| C14 | C15 | H6 | 120.7° | 120.0° |
| O21 | C20 | N19 | 117.8° | 119.9° |
| C20 | N19 | N18 | 123.9° | 119.9° |
| C20 | N19 | H14 | 118.0° | 120.0° |
| C16 | C11 | O10 | 116.3° | 120.1° |
| C16 | C11 | C12 | 117.7° | 119.8° |
| N19 | N18 | C2 | 124.0° | 120.0° |
| N19 | N18 | H13 | 118.0° | 120.0° |
| N18 | N19 | H14 | 118.0° | 120.0° |
| C14 | C13 | C12 | 121.3° | 120.0° |
| C14 | C13 | H4 | 119.3° | 120.0° |
| C13 | C14 | H5 | 120.3° | 119.9° |
| O10 | C11 | C12 | 126.0° | 120.1° |
| C11 | O10 | C9 | 127.6° | 117.0° |
| C11 | C12 | C13 | 119.7° | 120.0° |
| C11 | C12 | H3 | 120.1° | 120.0° |
| N4 | C3 | C2 | 113.2° | 109.5° |
| C3 | N4 | N5 | 123.7° | 126.4° |
| C3 | N4 | C8 | 130.3° | 126.5° |
| N4 | C3 | H1 | 108.5° | 109.5° |
| N4 | C3 | H2 | 108.6° | 109.4° |
| C3 | C2 | N18 | 120.8° | 120.0° |
| C3 | C2 | O1 | 120.9° | 120.1° |
| C2 | C3 | H1 | 108.5° | 109.5° |
| C2 | C3 | H2 | 108.5° | 109.5° |
| O10 | C9 | C8 | 111.2° | 109.5° |
| O10 | C9 | H11 | 109.0° | 109.5° |
| O10 | C9 | H12 | 109.0° | 109.4° |
| N18 | C2 | O1 | 118.2° | 119.9° |
| C2 | N18 | H13 | 118.0° | 120.0° |
| C13 | C12 | H3 | 120.1° | 120.0° |
| C12 | C13 | H4 | 119.4° | 120.0° |
| N5 | N4 | C8 | 106.0° | 107.1° |
| N4 | N5 | N6 | 107.1° | 108.8° |
| N4 | C8 | C9 | 126.6° | 126.7° |
| N4 | C8 | N7 | 115.3° | 106.7° |
| N5 | N6 | N7 | 108.4° | 109.4° |
| C9 | C8 | N7 | 118.1° | 126.6° |
| C8 | C9 | H11 | 109.0° | 109.5° |
| C8 | C9 | H12 | 109.0° | 109.4° |
| C8 | N7 | N6 | 103.2° | 108.0° |
| H1 | C3 | H2 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C26 | C25 | C28 | 178.5° | 179.9° |
| CL2 | C26 | C25 | C24 | 179.4° | 180.0° |
| CL2 | C26 | C28 | C29 | 179.7° | 179.9° |
| CL2 | C26 | C25 | H8 | 0.6° | 0.1° |
| CL2 | C26 | C28 | H9 | 0.3° | 0.1° |
| C26 | C25 | C24 | H8 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 1.3° | 0.0° |
| C25 | C26 | C28 | C29 | 1.9° | 0.1° |
| C26 | C25 | C24 | H7 | 178.7° | 179.9° |
| C25 | C26 | C28 | H9 | 178.2° | 180.0° |
| C24 | C25 | C26 | C28 | 1.0° | 0.1° |
| C25 | C24 | C23 | H7 | 180.0° | 179.9° |
| C25 | C24 | C23 | C29 | 2.7° | 0.0° |
| C25 | C24 | C23 | N22 | 178.7° | 179.7° |
| C26 | C28 | C29 | H9 | 180.0° | 179.9° |
| C26 | C28 | C29 | C23 | 0.5° | 0.1° |
| C28 | C26 | C25 | H8 | 179.0° | 180.0° |
| C26 | C28 | C29 | H10 | 179.5° | 179.7° |
| C24 | C23 | C29 | C28 | 1.8° | 0.0° |
| C24 | C23 | C29 | N22 | 175.7° | 179.7° |
| C24 | C23 | N22 | C20 | 131.8° | 35.3° |
| C23 | C24 | C25 | H8 | 178.7° | 179.9° |
| C24 | C23 | C29 | H10 | 178.3° | 179.7° |
| C24 | C23 | N22 | H15 | 48.2° | 144.6° |
| C28 | C29 | C23 | H10 | 180.0° | 179.6° |
| C28 | C29 | C23 | N22 | 177.5° | 179.7° |
| C29 | C23 | N22 | C20 | 44.1° | 144.9° |
| C29 | C23 | C24 | H7 | 177.3° | 179.9° |
| C23 | C29 | C28 | H9 | 179.6° | 180.0° |
| C29 | C23 | N22 | H15 | 135.9° | 35.1° |
| C23 | N22 | C20 | H15 | 180.0° | 179.9° |
| C23 | N22 | C20 | O21 | 5.6° | 4.6° |
| C23 | N22 | C20 | N19 | 175.6° | 175.4° |
| N22 | C23 | C24 | H7 | 1.3° | 0.3° |
| N22 | C23 | C29 | H10 | 2.6° | 0.1° |
| N22 | C20 | O21 | N19 | 178.8° | 180.0° |
| N22 | C20 | N19 | N18 | 178.7° | 0.0° |
| N22 | C20 | N19 | H14 | 1.3° | 180.0° |
| CL1 | C16 | C15 | C11 | 179.5° | 179.5° |
| CL1 | C16 | C15 | C14 | 179.4° | 180.0° |
| CL1 | C16 | C11 | O10 | 1.0° | 0.3° |
| CL1 | C16 | C11 | C12 | 179.1° | 180.0° |
| CL1 | C16 | C15 | H6 | 0.6° | 0.6° |
| C16 | C15 | C14 | H6 | 180.0° | 179.5° |
| C16 | C15 | C14 | C13 | 0.9° | 0.3° |
| C15 | C16 | C11 | O10 | 179.4° | 179.7° |
| C15 | C16 | C11 | C12 | 0.4° | 0.5° |
| C16 | C15 | C14 | H5 | 179.1° | 179.8° |
| C14 | C15 | C16 | C11 | 0.1° | 0.5° |
| C15 | C14 | C13 | H5 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 2.0° | 0.0° |
| C15 | C14 | C13 | H4 | 178.0° | 179.9° |
| O21 | C20 | N19 | N18 | 2.5° | 180.0° |
| O21 | C20 | N19 | H14 | 177.5° | 0.0° |
| O21 | C20 | N22 | H15 | 174.4° | 175.3° |
| C20 | N19 | N18 | H14 | 180.0° | 180.0° |
| C20 | N19 | N18 | C2 | 82.1° | 180.0° |
| C20 | N19 | N18 | H13 | 97.9° | 0.0° |
| N19 | C20 | N22 | H15 | 4.3° | 4.7° |
| C16 | C11 | O10 | C12 | 179.8° | 179.8° |
| C16 | C11 | O10 | C9 | 175.7° | 179.8° |
| C16 | C11 | C12 | C13 | 1.5° | 0.2° |
| C16 | C11 | C12 | H3 | 178.5° | 179.8° |
| C11 | C16 | C15 | H6 | 179.9° | 180.0° |
| N19 | N18 | C2 | C3 | 3.8° | 179.7° |
| N19 | N18 | C2 | H13 | 180.0° | 180.0° |
| N19 | N18 | C2 | O1 | 178.9° | 0.0° |
| C14 | C13 | C12 | C11 | 2.3° | 0.1° |
| C14 | C13 | C12 | H4 | 180.0° | 179.9° |
| C14 | C13 | C12 | H3 | 177.7° | 179.9° |
| C13 | C14 | C15 | H6 | 179.1° | 179.7° |
| O10 | C11 | C12 | C13 | 178.3° | 180.0° |
| C11 | O10 | C9 | C8 | 166.2° | 180.0° |
| O10 | C11 | C12 | H3 | 1.6° | 0.0° |
| C11 | O10 | C9 | H11 | 45.9° | 60.0° |
| C11 | O10 | C9 | H12 | 73.6° | 60.0° |
| C12 | C11 | O10 | C9 | 4.1° | 0.0° |
| C11 | C12 | C13 | H3 | 180.0° | 180.0° |
| C11 | C12 | C13 | H4 | 177.7° | 180.0° |
| N4 | C3 | C2 | H1 | 120.5° | 120.0° |
| N4 | C3 | C2 | H2 | 120.6° | 120.0° |
| N4 | C3 | C2 | N18 | 175.8° | 179.7° |
| C3 | N4 | N5 | C8 | 179.8° | 179.8° |
| C3 | N4 | N5 | N6 | 179.8° | 180.0° |
| N4 | C3 | C2 | O1 | 1.4° | 0.0° |
| C3 | N4 | C8 | C9 | 2.0° | 0.0° |
| C3 | N4 | C8 | N7 | 179.8° | 179.8° |
| N4 | C3 | H1 | H2 | 118.3° | 119.9° |
| C3 | C2 | N18 | O1 | 177.3° | 179.7° |
| C2 | C3 | N4 | N5 | 95.4° | 90.0° |
| C2 | C3 | N4 | C8 | 84.9° | 90.3° |
| C2 | C3 | H1 | H2 | 118.3° | 120.1° |
| C3 | C2 | N18 | H13 | 176.2° | 0.3° |
| O10 | C9 | C8 | N4 | 50.4° | 90.0° |
| O10 | C9 | C8 | H11 | 120.2° | 120.0° |
| O10 | C9 | C8 | H12 | 120.2° | 119.9° |
| O10 | C9 | C8 | N7 | 131.8° | 89.8° |
| O10 | C9 | H11 | H12 | 119.2° | 120.0° |
| N18 | C2 | C3 | H1 | 55.3° | 60.3° |
| N18 | C2 | C3 | H2 | 63.6° | 59.7° |
| C2 | N18 | N19 | H14 | 97.9° | 0.0° |
| C12 | C13 | C14 | H5 | 178.0° | 179.9° |
| N5 | N4 | C8 | C9 | 178.3° | 179.8° |
| N5 | N4 | C8 | N7 | 0.5° | 0.4° |
| N4 | N5 | N6 | N7 | 0.3° | 0.0° |
| N5 | N4 | C3 | H1 | 25.1° | 30.0° |
| N5 | N4 | C3 | H2 | 144.0° | 150.0° |
| C8 | N4 | N5 | N6 | 0.4° | 0.3° |
| N4 | C8 | C9 | N7 | 177.7° | 179.8° |
| N4 | C8 | N7 | N6 | 0.3° | 0.4° |
| C8 | N4 | C3 | H1 | 154.6° | 149.7° |
| C8 | N4 | C3 | H2 | 35.7° | 29.7° |
| N4 | C8 | C9 | H11 | 69.8° | 150.0° |
| N4 | C8 | C9 | H12 | 170.7° | 30.0° |
| N5 | N6 | N7 | C8 | 0.0° | 0.2° |
| O1 | C2 | C3 | H1 | 122.0° | 120.0° |
| O1 | C2 | C3 | H2 | 119.2° | 120.0° |
| O1 | C2 | N18 | H13 | 1.1° | 180.0° |
| C9 | C8 | N7 | N6 | 178.3° | 179.8° |
| C8 | C9 | H11 | H12 | 119.2° | 120.0° |
| N7 | C8 | C9 | H11 | 107.9° | 30.2° |
| N7 | C8 | C9 | H12 | 11.6° | 150.2° |
| H3 | C12 | C13 | H4 | 2.3° | 0.0° |
| H4 | C13 | C14 | H5 | 2.0° | 0.0° |
| H5 | C14 | C15 | H6 | 0.9° | 0.3° |
| H7 | C24 | C25 | H8 | 1.3° | 0.0° |
| H9 | C28 | C29 | H10 | 0.5° | 0.4° |
| H13 | N18 | N19 | H14 | 82.1° | 180.0° |
