CG4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C8 | doub | 1.22Å | 1.22Å | |
| C13 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C15 | sing | 1.48Å | 1.45Å | |
| C8 | N1 | sing | 1.35Å | 1.40Å | |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| O17 | C16 | doub | 1.21Å | 1.37Å | |
| C14 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| N1 | C2 | sing | 1.39Å | 1.40Å | |
| C12 | C24 | sing | 1.48Å | 1.49Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | O36 | sing | 1.43Å | 1.43Å | |
| C7 | C16 | sing | 1.47Å | 1.48Å | |
| C7 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | O18 | sing | 1.35Å | 1.23Å | |
| O36 | C29 | sing | 1.36Å | 1.39Å | |
| C3 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C22 | doub | 1.36Å | 1.38Å | Aromatic |
| C24 | N23 | sing | 1.34Å | 1.39Å | Aromatic |
| C38 | O35 | sing | 1.43Å | 1.44Å | |
| C22 | N20 | sing | 1.37Å | 1.32Å | Aromatic |
| N23 | C21 | doub | 1.32Å | 1.37Å | Aromatic |
| C29 | C31 | doub | 1.38Å | 1.37Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C31 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| O35 | C30 | sing | 1.36Å | 1.36Å | |
| N20 | C19 | sing | 1.37Å | 1.35Å | Aromatic |
| N20 | C25 | sing | 1.36Å | 1.32Å | Aromatic |
| C21 | C19 | sing | 1.42Å | 1.38Å | Aromatic |
| C21 | N28 | sing | 1.39Å | 1.43Å | |
| C30 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | N27 | doub | 1.32Å | 1.35Å | Aromatic |
| C33 | N28 | sing | 1.40Å | 1.41Å | |
| C33 | C34 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.35Å | 1.37Å | Aromatic |
| C32 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| N27 | C26 | sing | 1.33Å | 1.34Å | Aromatic |
| O18 | H1 | sing | 0.97Å | 0.95Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| N28 | H14 | sing | 0.97Å | 1.00Å | |
| C31 | H15 | sing | 1.08Å | 1.08Å | |
| C37 | H16 | sing | 1.09Å | 1.10Å | |
| C37 | H17 | sing | 1.09Å | 1.10Å | |
| C37 | H18 | sing | 1.09Å | 1.10Å | |
| C34 | H19 | sing | 1.08Å | 1.08Å | |
| C32 | H20 | sing | 1.08Å | 1.08Å | |
| C38 | H21 | sing | 1.09Å | 1.10Å | |
| C38 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C8 | C15 | 117.2° | 120.0° |
| O9 | C8 | N1 | 125.0° | 120.0° |
| C11 | C13 | C15 | 119.3° | 120.1° |
| C13 | C11 | C10 | 119.8° | 120.3° |
| C11 | C13 | H7 | 120.4° | 120.0° |
| C13 | C11 | H8 | 120.1° | 119.8° |
| C13 | C15 | C8 | 118.0° | 120.1° |
| C13 | C15 | C14 | 121.6° | 119.8° |
| C15 | C13 | H7 | 120.4° | 119.9° |
| C11 | C10 | C12 | 120.7° | 120.2° |
| C10 | C11 | H8 | 120.1° | 119.9° |
| C11 | C10 | H10 | 119.6° | 119.9° |
| C15 | C8 | N1 | 117.8° | 120.0° |
| C8 | C15 | C14 | 120.4° | 120.1° |
| C8 | N1 | C2 | 126.1° | 120.0° |
| C8 | N1 | H6 | 117.0° | 120.0° |
| C15 | C14 | C12 | 119.0° | 119.7° |
| C15 | C14 | H9 | 120.5° | 120.1° |
| C10 | C12 | C14 | 119.6° | 119.9° |
| C10 | C12 | C24 | 121.6° | 120.0° |
| C12 | C10 | H10 | 119.7° | 120.0° |
| C6 | C4 | C2 | 119.9° | 120.1° |
| C4 | C6 | C7 | 119.3° | 119.9° |
| C4 | C6 | H4 | 120.4° | 120.0° |
| C6 | C4 | H5 | 120.0° | 120.0° |
| C4 | C2 | N1 | 123.9° | 119.9° |
| C4 | C2 | C3 | 119.7° | 120.1° |
| C2 | C4 | H5 | 120.1° | 119.9° |
| C6 | C7 | C16 | 120.5° | 120.1° |
| C6 | C7 | C5 | 120.4° | 119.8° |
| C7 | C6 | H4 | 120.3° | 120.0° |
| O17 | C16 | C7 | 119.7° | 120.0° |
| O17 | C16 | O18 | 119.6° | 120.0° |
| C14 | C12 | C24 | 118.7° | 120.1° |
| C12 | C14 | H9 | 120.5° | 120.1° |
| N1 | C2 | C3 | 116.4° | 119.9° |
| C2 | N1 | H6 | 117.0° | 120.0° |
| C12 | C24 | C22 | 121.8° | 119.5° |
| C12 | C24 | N23 | 117.9° | 119.4° |
| C2 | C3 | C5 | 120.3° | 120.1° |
| C2 | C3 | H3 | 119.8° | 119.9° |
| C37 | O36 | C29 | 130.3° | 117.0° |
| O36 | C37 | H16 | 109.5° | 109.4° |
| O36 | C37 | H17 | 109.5° | 109.4° |
| O36 | C37 | H18 | 109.4° | 109.5° |
| C16 | C7 | C5 | 119.1° | 120.1° |
| C7 | C16 | O18 | 120.7° | 120.0° |
| C7 | C5 | C3 | 120.3° | 119.9° |
| C7 | C5 | H2 | 119.8° | 120.0° |
| C16 | O18 | H1 | 109.5° | 117.0° |
| O36 | C29 | C31 | 123.2° | 120.1° |
| O36 | C29 | C30 | 118.9° | 120.0° |
| C3 | C5 | H2 | 119.8° | 120.0° |
| C5 | C3 | H3 | 119.8° | 120.0° |
| C22 | C24 | N23 | 120.3° | 121.1° |
| C24 | C22 | N20 | 116.5° | 119.9° |
| C24 | C22 | H11 | 121.7° | 120.0° |
| C24 | N23 | C21 | 122.7° | 121.1° |
| C38 | O35 | C30 | 122.6° | 117.0° |
| O35 | C38 | H21 | 109.5° | 109.5° |
| O35 | C38 | H22 | 109.5° | 109.5° |
| O35 | C38 | H23 | 109.4° | 109.4° |
| C22 | N20 | C19 | 124.0° | 119.3° |
| C22 | N20 | C25 | 128.4° | 133.6° |
| N20 | C22 | H11 | 121.8° | 120.1° |
| N23 | C21 | C19 | 114.6° | 119.7° |
| N23 | C21 | N28 | 124.8° | 120.2° |
| C31 | C29 | C30 | 117.9° | 119.9° |
| C29 | C31 | C33 | 123.2° | 120.0° |
| C29 | C31 | H15 | 118.4° | 120.1° |
| C29 | C30 | O35 | 118.7° | 120.0° |
| C29 | C30 | C32 | 121.1° | 120.0° |
| C31 | C33 | N28 | 118.4° | 120.0° |
| C31 | C33 | C34 | 118.4° | 120.0° |
| C33 | C31 | H15 | 118.4° | 120.0° |
| O35 | C30 | C32 | 120.2° | 120.0° |
| C19 | N20 | C25 | 107.6° | 107.1° |
| N20 | C19 | C21 | 121.9° | 118.9° |
| N20 | C19 | N27 | 109.6° | 108.1° |
| N20 | C25 | C26 | 108.0° | 107.1° |
| N20 | C25 | H13 | 126.0° | 126.5° |
| C19 | C21 | N28 | 120.5° | 120.2° |
| C21 | C19 | N27 | 128.4° | 133.0° |
| C21 | N28 | C33 | 135.6° | 120.0° |
| C21 | N28 | H14 | 112.2° | 120.0° |
| C30 | C32 | C34 | 120.3° | 120.1° |
| C30 | C32 | H20 | 119.9° | 120.0° |
| C19 | N27 | C26 | 105.9° | 109.1° |
| N28 | C33 | C34 | 123.2° | 120.0° |
| C33 | N28 | H14 | 112.2° | 120.0° |
| C33 | C34 | C32 | 119.1° | 120.1° |
| C33 | C34 | H19 | 120.4° | 119.9° |
| C25 | C26 | N27 | 108.9° | 108.6° |
| C25 | C26 | H12 | 125.5° | 125.7° |
| C26 | C25 | H13 | 126.0° | 126.4° |
| C32 | C34 | H19 | 120.5° | 120.0° |
| C34 | C32 | H20 | 119.9° | 119.9° |
| N27 | C26 | H12 | 125.6° | 125.7° |
| H16 | C37 | H17 | 109.5° | 109.5° |
| H16 | C37 | H18 | 109.5° | 109.5° |
| H17 | C37 | H18 | 109.5° | 109.5° |
| H21 | C38 | H22 | 109.5° | 109.5° |
| H21 | C38 | H23 | 109.5° | 109.5° |
| H22 | C38 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C8 | C15 | C13 | 48.3° | 179.8° |
| O9 | C8 | C15 | N1 | 178.2° | 180.0° |
| O9 | C8 | C15 | C14 | 131.2° | 0.0° |
| O9 | C8 | N1 | C2 | 1.8° | 4.1° |
| O9 | C8 | N1 | H6 | 178.2° | 175.8° |
| C11 | C13 | C15 | H7 | 180.0° | 180.0° |
| C13 | C11 | C10 | H8 | 180.0° | 179.9° |
| C11 | C13 | C15 | C8 | 179.2° | 180.0° |
| C11 | C13 | C15 | C14 | 0.3° | 0.2° |
| C13 | C11 | C10 | C12 | 0.3° | 0.3° |
| C13 | C11 | C10 | H10 | 179.7° | 180.0° |
| C15 | C13 | C11 | C10 | 0.0° | 0.1° |
| C13 | C15 | C8 | C14 | 179.4° | 179.8° |
| C13 | C15 | C8 | N1 | 133.6° | 0.2° |
| C13 | C15 | C14 | C12 | 0.9° | 0.2° |
| C15 | C13 | C11 | H8 | 180.0° | 180.0° |
| C13 | C15 | C14 | H9 | 179.1° | 179.8° |
| C11 | C10 | C12 | H10 | 180.0° | 179.7° |
| C11 | C10 | C12 | C14 | 0.9° | 0.3° |
| C11 | C10 | C12 | C24 | 179.6° | 179.7° |
| C10 | C11 | C13 | H7 | 180.0° | 180.0° |
| C8 | C15 | C14 | C12 | 178.5° | 180.0° |
| C15 | C8 | N1 | C2 | 179.9° | 175.9° |
| C15 | C8 | N1 | H6 | 0.2° | 4.2° |
| C8 | C15 | C13 | H7 | 0.8° | 0.0° |
| C8 | C15 | C14 | H9 | 1.5° | 0.0° |
| N1 | C8 | C15 | C14 | 47.0° | 180.0° |
| C8 | N1 | C2 | C4 | 23.9° | 35.3° |
| C8 | N1 | C2 | H6 | 180.0° | 179.9° |
| C8 | N1 | C2 | C3 | 155.6° | 144.4° |
| C15 | C14 | C12 | C10 | 1.2° | 0.0° |
| C15 | C14 | C12 | H9 | 180.0° | 180.0° |
| C15 | C14 | C12 | C24 | 179.9° | 180.0° |
| C14 | C15 | C13 | H7 | 179.7° | 179.8° |
| C10 | C12 | C14 | C24 | 178.7° | 180.0° |
| C10 | C12 | C24 | C22 | 26.8° | 0.0° |
| C10 | C12 | C24 | N23 | 154.1° | 179.7° |
| C12 | C10 | C11 | H8 | 179.7° | 179.7° |
| C10 | C12 | C14 | H9 | 178.8° | 180.0° |
| C6 | C4 | C2 | H5 | 180.0° | 179.9° |
| C4 | C6 | C7 | H4 | 180.0° | 179.9° |
| C6 | C4 | C2 | N1 | 179.2° | 180.0° |
| C6 | C4 | C2 | C3 | 0.2° | 0.3° |
| C4 | C6 | C7 | C16 | 179.6° | 180.0° |
| C4 | C6 | C7 | C5 | 0.5° | 0.3° |
| C2 | C4 | C6 | C7 | 0.5° | 0.1° |
| C4 | C2 | N1 | C3 | 179.4° | 179.7° |
| C4 | C2 | C3 | C5 | 0.1° | 0.3° |
| C4 | C2 | C3 | H3 | 179.9° | 179.7° |
| C2 | C4 | C6 | H4 | 179.5° | 180.0° |
| C4 | C2 | N1 | H6 | 156.1° | 144.6° |
| C6 | C7 | C16 | O17 | 13.1° | 179.7° |
| C6 | C7 | C16 | C5 | 179.1° | 179.7° |
| C6 | C7 | C16 | O18 | 165.0° | 0.2° |
| C6 | C7 | C5 | C3 | 0.2° | 0.3° |
| C6 | C7 | C5 | H2 | 179.8° | 179.8° |
| C7 | C6 | C4 | H5 | 179.5° | 180.0° |
| O17 | C16 | C7 | O18 | 178.1° | 179.9° |
| O17 | C16 | C7 | C5 | 167.8° | 0.0° |
| O17 | C16 | O18 | H1 | 0.0° | 0.1° |
| C14 | C12 | C24 | C22 | 151.8° | 180.0° |
| C14 | C12 | C24 | N23 | 27.3° | 0.2° |
| C14 | C12 | C10 | H10 | 179.1° | 179.9° |
| N1 | C2 | C3 | C5 | 179.6° | 180.0° |
| N1 | C2 | C3 | H3 | 0.4° | 0.1° |
| N1 | C2 | C4 | H5 | 0.8° | 0.1° |
| C12 | C24 | C22 | N23 | 179.1° | 179.8° |
| C12 | C24 | C22 | N20 | 179.3° | 180.0° |
| C12 | C24 | N23 | C21 | 179.7° | 180.0° |
| C24 | C12 | C14 | H9 | 0.1° | 0.0° |
| C24 | C12 | C10 | H10 | 0.4° | 0.0° |
| C12 | C24 | C22 | H11 | 0.7° | 0.0° |
| C2 | C3 | C5 | C7 | 0.1° | 0.0° |
| C2 | C3 | C5 | H3 | 180.0° | 180.0° |
| C2 | C3 | C5 | H2 | 179.9° | 179.9° |
| C3 | C2 | C4 | H5 | 179.8° | 179.7° |
| C3 | C2 | N1 | H6 | 24.4° | 35.7° |
| C37 | O36 | C29 | C31 | 12.8° | 0.1° |
| C37 | O36 | C29 | C30 | 169.3° | 180.0° |
| O36 | C37 | H16 | H17 | 120.0° | 119.9° |
| O36 | C37 | H16 | H18 | 120.0° | 120.0° |
| O36 | C37 | H17 | H18 | 120.0° | 120.1° |
| C16 | C7 | C5 | C3 | 179.3° | 180.0° |
| C7 | C16 | O18 | H1 | 178.1° | 180.0° |
| C16 | C7 | C5 | H2 | 0.7° | 0.0° |
| C16 | C7 | C6 | H4 | 0.4° | 0.1° |
| C5 | C7 | C16 | O18 | 14.1° | 179.9° |
| C7 | C5 | C3 | H2 | 180.0° | 179.9° |
| C7 | C5 | C3 | H3 | 179.9° | 179.9° |
| C5 | C7 | C6 | H4 | 179.4° | 179.7° |
| O36 | C29 | C31 | C30 | 178.0° | 179.9° |
| O36 | C29 | C31 | C33 | 179.4° | 179.9° |
| O36 | C29 | C30 | O35 | 2.5° | 0.0° |
| O36 | C29 | C30 | C32 | 179.2° | 179.7° |
| O36 | C29 | C31 | H15 | 0.6° | 0.0° |
| C29 | O36 | C37 | H16 | 180.0° | 60.1° |
| C29 | O36 | C37 | H17 | 60.0° | 59.9° |
| C29 | O36 | C37 | H18 | 60.0° | 179.9° |
| C24 | C22 | N20 | H11 | 180.0° | 180.0° |
| C22 | C24 | N23 | C21 | 0.5° | 0.3° |
| C24 | C22 | N20 | C19 | 2.1° | 0.0° |
| C24 | C22 | N20 | C25 | 178.7° | 179.5° |
| N23 | C24 | C22 | N20 | 1.6° | 0.2° |
| C24 | N23 | C21 | C19 | 0.2° | 0.0° |
| C24 | N23 | C21 | N28 | 179.3° | 180.0° |
| N23 | C24 | C22 | H11 | 178.4° | 179.8° |
| C38 | O35 | C30 | C29 | 55.7° | 179.9° |
| C38 | O35 | C30 | C32 | 126.0° | 0.2° |
| O35 | C38 | H21 | H22 | 120.0° | 120.0° |
| O35 | C38 | H21 | H23 | 120.0° | 120.0° |
| O35 | C38 | H22 | H23 | 120.0° | 120.0° |
| C22 | N20 | C19 | C25 | 177.2° | 179.6° |
| C22 | N20 | C19 | C21 | 1.4° | 0.3° |
| C22 | N20 | C19 | N27 | 177.1° | 180.0° |
| C22 | N20 | C25 | C26 | 177.5° | 179.8° |
| C22 | N20 | C25 | H13 | 2.5° | 0.4° |
| N23 | C21 | C19 | N20 | 0.1° | 0.2° |
| N23 | C21 | C19 | N28 | 179.5° | 180.0° |
| N23 | C21 | C19 | N27 | 178.1° | 180.0° |
| N23 | C21 | N28 | C33 | 2.1° | 4.0° |
| N23 | C21 | N28 | H14 | 177.9° | 175.9° |
| C29 | C31 | C33 | H15 | 180.0° | 179.9° |
| C31 | C29 | C30 | O35 | 179.4° | 180.0° |
| C31 | C29 | C30 | C32 | 1.2° | 0.3° |
| C29 | C31 | C33 | N28 | 179.0° | 180.0° |
| C29 | C31 | C33 | C34 | 1.2° | 0.3° |
| C30 | C29 | C31 | C33 | 1.5° | 0.0° |
| C29 | C30 | O35 | C32 | 178.3° | 179.7° |
| C29 | C30 | C32 | C34 | 0.7° | 0.3° |
| C30 | C29 | C31 | H15 | 178.5° | 179.9° |
| C29 | C30 | C32 | H20 | 179.3° | 179.6° |
| C31 | C33 | N28 | C21 | 1.6° | 145.0° |
| C31 | C33 | N28 | C34 | 179.9° | 179.7° |
| C31 | C33 | C34 | C32 | 0.6° | 0.3° |
| C31 | C33 | N28 | H14 | 178.4° | 35.0° |
| C31 | C33 | C34 | H19 | 179.4° | 179.7° |
| O35 | C30 | C32 | C34 | 178.9° | 180.0° |
| O35 | C30 | C32 | H20 | 1.1° | 0.1° |
| C30 | O35 | C38 | H21 | 180.0° | 180.0° |
| C30 | O35 | C38 | H22 | 60.0° | 60.0° |
| C30 | O35 | C38 | H23 | 60.0° | 60.0° |
| N20 | C19 | C21 | N27 | 178.2° | 179.7° |
| N20 | C19 | C21 | N28 | 179.7° | 179.7° |
| C19 | N20 | C25 | C26 | 0.4° | 0.3° |
| N20 | C19 | N27 | C26 | 0.6° | 0.3° |
| C19 | N20 | C22 | H11 | 177.9° | 180.0° |
| C19 | N20 | C25 | H13 | 179.6° | 179.9° |
| C25 | N20 | C19 | C21 | 178.6° | 179.9° |
| C25 | N20 | C19 | N27 | 0.1° | 0.4° |
| N20 | C25 | C26 | H13 | 180.0° | 179.8° |
| N20 | C25 | C26 | N27 | 0.8° | 0.2° |
| C25 | N20 | C22 | H11 | 1.3° | 0.5° |
| N20 | C25 | C26 | H12 | 179.2° | 179.7° |
| C19 | C21 | N28 | C33 | 177.4° | 176.0° |
| C21 | C19 | N27 | C26 | 179.0° | 180.0° |
| C19 | C21 | N28 | H14 | 2.6° | 4.1° |
| N28 | C21 | C19 | N27 | 1.5° | 0.0° |
| C21 | N28 | C33 | H14 | 180.0° | 179.9° |
| C21 | N28 | C33 | C34 | 178.5° | 35.3° |
| C30 | C32 | C34 | C33 | 0.4° | 0.0° |
| C30 | C32 | C34 | H20 | 180.0° | 180.0° |
| C30 | C32 | C34 | H19 | 179.6° | 179.9° |
| C19 | N27 | C26 | C25 | 0.8° | 0.1° |
| C19 | N27 | C26 | H12 | 179.2° | 180.0° |
| N28 | C33 | C34 | C32 | 179.5° | 180.0° |
| N28 | C33 | C31 | H15 | 1.1° | 0.1° |
| N28 | C33 | C34 | H19 | 0.4° | 0.0° |
| C33 | C34 | C32 | H19 | 180.0° | 180.0° |
| C34 | C33 | N28 | H14 | 1.5° | 144.7° |
| C34 | C33 | C31 | H15 | 178.8° | 179.8° |
| C33 | C34 | C32 | H20 | 179.6° | 180.0° |
| C25 | C26 | N27 | H12 | 180.0° | 179.9° |
| N27 | C26 | C25 | H13 | 179.2° | 180.0° |
| H2 | C5 | C3 | H3 | 0.1° | 0.0° |
| H4 | C6 | C4 | H5 | 0.5° | 0.1° |
| H7 | C13 | C11 | H8 | 0.0° | 0.0° |
| H8 | C11 | C10 | H10 | 0.3° | 0.1° |
| H12 | C26 | C25 | H13 | 0.8° | 0.1° |
| H16 | C37 | H17 | H18 | 120.0° | 120.0° |
| H19 | C34 | C32 | H20 | 0.4° | 0.1° |
| H21 | C38 | H22 | H23 | 120.0° | 120.0° |
