U6G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL28 | C27 | sing | 1.74Å | 1.74Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C21 | sing | 1.48Å | 1.47Å | |
| C19 | N20 | sing | 1.47Å | 1.48Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C21 | N20 | sing | 1.35Å | 1.38Å | |
| C21 | O22 | doub | 1.22Å | 1.22Å | |
| N20 | C15 | sing | 1.40Å | 1.41Å | |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| CL1 | C2 | sing | 1.74Å | 1.73Å | |
| N10 | C11 | sing | 1.47Å | 1.47Å | |
| N10 | C8 | sing | 1.35Å | 1.36Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C8 | sing | 1.48Å | 1.48Å | |
| C5 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | O9 | doub | 1.22Å | 1.22Å | |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| N10 | H5 | sing | 0.97Å | 1.00Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C30 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL28 | C27 | C26 | 121.7° | 119.9° |
| CL28 | C27 | C29 | 118.6° | 120.0° |
| C27 | C26 | C25 | 120.2° | 120.3° |
| C26 | C27 | C29 | 119.7° | 120.1° |
| C27 | C26 | H19 | 119.9° | 119.9° |
| C26 | C25 | C24 | 120.5° | 120.2° |
| C26 | C25 | H18 | 119.8° | 119.9° |
| C25 | C26 | H19 | 119.9° | 119.9° |
| C27 | C29 | C23 | 120.4° | 119.9° |
| C27 | C29 | H20 | 119.8° | 120.1° |
| C25 | C24 | C23 | 119.2° | 119.9° |
| C25 | C24 | H14 | 120.4° | 120.1° |
| C24 | C25 | H18 | 119.7° | 119.9° |
| C29 | C23 | C24 | 120.1° | 119.7° |
| C29 | C23 | C21 | 115.2° | 120.2° |
| C23 | C29 | H20 | 119.8° | 120.0° |
| C19 | C18 | C17 | 111.4° | 108.9° |
| C18 | C19 | N20 | 107.1° | 107.5° |
| C19 | C18 | H10 | 109.0° | 109.6° |
| C19 | C18 | H11 | 109.0° | 109.6° |
| C18 | C19 | H12 | 110.1° | 109.8° |
| C18 | C19 | H13 | 110.1° | 109.8° |
| C18 | C17 | C16 | 114.9° | 110.5° |
| C18 | C17 | H8 | 108.1° | 109.3° |
| C18 | C17 | H9 | 108.1° | 109.2° |
| C17 | C18 | H10 | 109.0° | 109.2° |
| C17 | C18 | H11 | 109.0° | 109.8° |
| C24 | C23 | C21 | 124.8° | 120.1° |
| C23 | C24 | H14 | 120.4° | 120.1° |
| C23 | C21 | N20 | 122.3° | 120.0° |
| C23 | C21 | O22 | 114.9° | 120.1° |
| C19 | N20 | C21 | 123.1° | 120.5° |
| C19 | N20 | C15 | 114.3° | 118.7° |
| N20 | C19 | H12 | 110.1° | 110.2° |
| N20 | C19 | H13 | 110.1° | 109.6° |
| C17 | C16 | C15 | 122.9° | 121.5° |
| C17 | C16 | C30 | 116.7° | 118.9° |
| C16 | C17 | H8 | 108.1° | 109.2° |
| C16 | C17 | H9 | 108.1° | 109.3° |
| N20 | C21 | O22 | 122.7° | 120.0° |
| C21 | N20 | C15 | 122.4° | 120.7° |
| N20 | C15 | C16 | 116.7° | 120.8° |
| N20 | C15 | C14 | 124.5° | 119.1° |
| C15 | C16 | C30 | 120.4° | 119.6° |
| C16 | C15 | C14 | 118.7° | 120.0° |
| C16 | C30 | C12 | 120.4° | 120.3° |
| C16 | C30 | H15 | 119.8° | 119.9° |
| C15 | C14 | C13 | 120.0° | 120.0° |
| C15 | C14 | H17 | 120.0° | 120.0° |
| C30 | C12 | C13 | 119.6° | 120.2° |
| C30 | C12 | C11 | 120.0° | 119.9° |
| C12 | C30 | H15 | 119.8° | 119.9° |
| C14 | C13 | C12 | 120.9° | 119.9° |
| C14 | C13 | H16 | 119.6° | 120.0° |
| C13 | C14 | H17 | 120.0° | 120.0° |
| C13 | C12 | C11 | 120.4° | 119.9° |
| C12 | C13 | H16 | 119.5° | 120.1° |
| C12 | C11 | N10 | 109.5° | 109.5° |
| C12 | C11 | H6 | 109.5° | 109.5° |
| C12 | C11 | H7 | 109.5° | 109.5° |
| C6 | C7 | C2 | 120.4° | 120.2° |
| C7 | C6 | C5 | 119.9° | 119.9° |
| C7 | C6 | H3 | 120.0° | 120.1° |
| C6 | C7 | H4 | 119.8° | 119.9° |
| C7 | C2 | CL1 | 120.2° | 119.9° |
| C7 | C2 | C3 | 120.4° | 120.2° |
| C2 | C7 | H4 | 119.8° | 119.9° |
| C6 | C5 | C8 | 122.3° | 120.1° |
| C6 | C5 | C4 | 118.7° | 119.7° |
| C5 | C6 | H3 | 120.0° | 120.0° |
| CL1 | C2 | C3 | 119.4° | 119.9° |
| C11 | N10 | C8 | 121.0° | 120.0° |
| C11 | N10 | H5 | 119.5° | 120.0° |
| N10 | C11 | H6 | 109.5° | 109.5° |
| N10 | C11 | H7 | 109.4° | 109.5° |
| N10 | C8 | C5 | 122.1° | 120.0° |
| N10 | C8 | O9 | 119.5° | 120.0° |
| C8 | N10 | H5 | 119.5° | 120.0° |
| C2 | C3 | C4 | 120.0° | 120.1° |
| C2 | C3 | H1 | 120.0° | 120.0° |
| C8 | C5 | C4 | 119.0° | 120.2° |
| C5 | C8 | O9 | 118.3° | 120.0° |
| C5 | C4 | C3 | 120.6° | 119.8° |
| C5 | C4 | H2 | 119.7° | 120.1° |
| C4 | C3 | H1 | 120.0° | 119.9° |
| C3 | C4 | H2 | 119.7° | 120.1° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.3° |
| H10 | C18 | H11 | 109.5° | 109.6° |
| H12 | C19 | H13 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL28 | C27 | C26 | C29 | 179.1° | 179.4° |
| CL28 | C27 | C26 | C25 | 179.9° | 179.7° |
| CL28 | C27 | C29 | C23 | 179.5° | 180.0° |
| CL28 | C27 | C26 | H19 | 0.1° | 0.5° |
| CL28 | C27 | C29 | H20 | 0.5° | 0.5° |
| C27 | C26 | C25 | H19 | 180.0° | 179.7° |
| C27 | C26 | C25 | C24 | 0.6° | 0.0° |
| C26 | C27 | C29 | C23 | 0.3° | 0.6° |
| C27 | C26 | C25 | H18 | 179.5° | 180.0° |
| C26 | C27 | C29 | H20 | 179.7° | 180.0° |
| C25 | C26 | C27 | C29 | 0.8° | 0.3° |
| C26 | C25 | C24 | H18 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.1° | 0.0° |
| C26 | C25 | C24 | H14 | 180.0° | 180.0° |
| C27 | C29 | C23 | H20 | 180.0° | 179.5° |
| C27 | C29 | C23 | C24 | 0.3° | 0.5° |
| C27 | C29 | C23 | C21 | 179.4° | 179.8° |
| C29 | C27 | C26 | H19 | 179.2° | 180.0° |
| C25 | C24 | C23 | C29 | 0.5° | 0.3° |
| C25 | C24 | C23 | H14 | 180.0° | 180.0° |
| C25 | C24 | C23 | C21 | 179.5° | 180.0° |
| C24 | C25 | C26 | H19 | 179.4° | 179.7° |
| C29 | C23 | C24 | C21 | 179.0° | 179.7° |
| C29 | C23 | C21 | N20 | 80.1° | 26.4° |
| C29 | C23 | C21 | O22 | 97.7° | 153.7° |
| C29 | C23 | C24 | H14 | 179.5° | 179.7° |
| C19 | C18 | C17 | H10 | 120.3° | 119.6° |
| C19 | C18 | C17 | H11 | 120.3° | 120.1° |
| C18 | C19 | N20 | H12 | 119.6° | 119.7° |
| C18 | C19 | N20 | H13 | 119.6° | 119.3° |
| C19 | C18 | C17 | C16 | 23.8° | 51.4° |
| C18 | C19 | N20 | C21 | 110.0° | 135.3° |
| C18 | C19 | N20 | C15 | 65.5° | 45.6° |
| C19 | C18 | C17 | H8 | 144.6° | 68.8° |
| C19 | C18 | C17 | H9 | 97.0° | 171.7° |
| C19 | C18 | H10 | H11 | 119.1° | 120.4° |
| C18 | C19 | H12 | H13 | 121.1° | 120.9° |
| C17 | C18 | C19 | N20 | 55.7° | 63.5° |
| C18 | C17 | C16 | H8 | 120.8° | 120.2° |
| C18 | C17 | C16 | H9 | 120.8° | 120.3° |
| C18 | C17 | C16 | C15 | 3.4° | 20.8° |
| C18 | C17 | C16 | C30 | 175.4° | 160.3° |
| C18 | C17 | H8 | H9 | 117.6° | 119.5° |
| C17 | C18 | H10 | H11 | 119.1° | 120.4° |
| C17 | C18 | C19 | H12 | 64.0° | 56.4° |
| C17 | C18 | C19 | H13 | 175.3° | 177.3° |
| C24 | C23 | C21 | N20 | 100.9° | 153.9° |
| C24 | C23 | C21 | O22 | 81.3° | 26.0° |
| C23 | C24 | C25 | H18 | 179.9° | 180.0° |
| C24 | C23 | C29 | H20 | 179.7° | 180.0° |
| C23 | C21 | N20 | C19 | 0.2° | 6.7° |
| C23 | C21 | N20 | O22 | 177.6° | 180.0° |
| C23 | C21 | N20 | C15 | 174.8° | 172.4° |
| C21 | C23 | C24 | H14 | 0.6° | 0.0° |
| C21 | C23 | C29 | H20 | 0.6° | 0.3° |
| C19 | N20 | C21 | C15 | 175.1° | 179.1° |
| C19 | N20 | C21 | O22 | 177.8° | 173.2° |
| C19 | N20 | C15 | C16 | 38.8° | 14.7° |
| C19 | N20 | C15 | C14 | 145.1° | 166.1° |
| N20 | C19 | C18 | H10 | 64.6° | 177.0° |
| N20 | C19 | C18 | H11 | 176.0° | 56.6° |
| N20 | C19 | H12 | H13 | 121.1° | 120.9° |
| C17 | C16 | C15 | N20 | 3.0° | 1.3° |
| C17 | C16 | C15 | C30 | 178.7° | 179.0° |
| C17 | C16 | C15 | C14 | 179.4° | 179.6° |
| C17 | C16 | C30 | C12 | 179.9° | 179.4° |
| C16 | C17 | H8 | H9 | 117.5° | 119.5° |
| C16 | C17 | C18 | H10 | 96.5° | 171.0° |
| C16 | C17 | C18 | H11 | 144.1° | 68.7° |
| C17 | C16 | C30 | H15 | 0.1° | 0.6° |
| C21 | N20 | C15 | C16 | 136.7° | 166.1° |
| C21 | N20 | C15 | C14 | 39.4° | 13.1° |
| C21 | N20 | C19 | H12 | 130.4° | 105.1° |
| C21 | N20 | C19 | H13 | 9.7° | 15.9° |
| O22 | C21 | N20 | C15 | 2.8° | 7.6° |
| N20 | C15 | C16 | C14 | 176.3° | 179.2° |
| N20 | C15 | C16 | C30 | 178.3° | 179.8° |
| N20 | C15 | C14 | C13 | 177.9° | 179.6° |
| C15 | N20 | C19 | H12 | 54.2° | 74.1° |
| C15 | N20 | C19 | H13 | 174.9° | 164.9° |
| N20 | C15 | C14 | H17 | 2.1° | 1.0° |
| C15 | C16 | C30 | C12 | 1.1° | 0.4° |
| C16 | C15 | C14 | C13 | 1.9° | 0.4° |
| C15 | C16 | C17 | H8 | 117.4° | 99.5° |
| C15 | C16 | C17 | H9 | 124.2° | 141.0° |
| C15 | C16 | C30 | H15 | 178.9° | 179.6° |
| C16 | C15 | C14 | H17 | 178.1° | 179.8° |
| C30 | C16 | C15 | C14 | 1.9° | 0.6° |
| C16 | C30 | C12 | H15 | 180.0° | 180.0° |
| C16 | C30 | C12 | C13 | 0.2° | 0.0° |
| C16 | C30 | C12 | C11 | 179.2° | 179.7° |
| C30 | C16 | C17 | H8 | 63.8° | 79.5° |
| C30 | C16 | C17 | H9 | 54.6° | 40.0° |
| C15 | C14 | C13 | H17 | 180.0° | 179.4° |
| C15 | C14 | C13 | C12 | 1.0° | 0.0° |
| C15 | C14 | C13 | H16 | 179.0° | 180.0° |
| C30 | C12 | C13 | C14 | 0.2° | 0.2° |
| C30 | C12 | C13 | C11 | 179.4° | 179.8° |
| C30 | C12 | C11 | N10 | 54.9° | 89.8° |
| C30 | C12 | C11 | H6 | 174.9° | 150.2° |
| C30 | C12 | C11 | H7 | 65.2° | 30.2° |
| C30 | C12 | C13 | H16 | 179.9° | 179.8° |
| C14 | C13 | C12 | H16 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 179.2° | 179.9° |
| C13 | C12 | C11 | N10 | 125.8° | 90.0° |
| C13 | C12 | C11 | H6 | 5.8° | 30.0° |
| C13 | C12 | C11 | H7 | 114.2° | 150.0° |
| C13 | C12 | C30 | H15 | 179.8° | 180.0° |
| C12 | C13 | C14 | H17 | 179.0° | 179.5° |
| C12 | C11 | N10 | H6 | 120.0° | 120.0° |
| C12 | C11 | N10 | H7 | 120.0° | 120.0° |
| C12 | C11 | N10 | C8 | 90.7° | 180.0° |
| C12 | C11 | N10 | H5 | 89.3° | 0.0° |
| C12 | C11 | H6 | H7 | 120.0° | 120.0° |
| C11 | C12 | C30 | H15 | 0.8° | 0.2° |
| C11 | C12 | C13 | H16 | 0.8° | 0.1° |
| C6 | C7 | C2 | H4 | 180.0° | 179.9° |
| C7 | C6 | C5 | H3 | 180.0° | 179.9° |
| C6 | C7 | C2 | CL1 | 180.0° | 179.7° |
| C6 | C7 | C2 | C3 | 0.5° | 0.0° |
| C7 | C6 | C5 | C8 | 179.8° | 179.9° |
| C7 | C6 | C5 | C4 | 0.5° | 0.1° |
| C2 | C7 | C6 | C5 | 0.5° | 0.1° |
| C7 | C2 | CL1 | C3 | 179.5° | 179.7° |
| C7 | C2 | C3 | C4 | 0.4° | 0.0° |
| C7 | C2 | C3 | H1 | 179.6° | 180.0° |
| C2 | C7 | C6 | H3 | 179.5° | 180.0° |
| C6 | C5 | C8 | N10 | 11.5° | 0.0° |
| C6 | C5 | C8 | C4 | 179.3° | 180.0° |
| C6 | C5 | C8 | O9 | 168.1° | 180.0° |
| C6 | C5 | C4 | C3 | 0.4° | 0.0° |
| C6 | C5 | C4 | H2 | 179.6° | 180.0° |
| C5 | C6 | C7 | H4 | 179.5° | 180.0° |
| CL1 | C2 | C3 | C4 | 180.0° | 179.8° |
| CL1 | C2 | C3 | H1 | 0.1° | 0.3° |
| CL1 | C2 | C7 | H4 | 0.0° | 0.2° |
| C11 | N10 | C8 | H5 | 180.0° | 179.9° |
| C11 | N10 | C8 | C5 | 179.6° | 180.0° |
| C11 | N10 | C8 | O9 | 0.0° | 0.1° |
| N10 | C11 | H6 | H7 | 120.0° | 120.0° |
| N10 | C8 | C5 | O9 | 179.6° | 179.9° |
| N10 | C8 | C5 | C4 | 169.2° | 179.9° |
| C8 | N10 | C11 | H6 | 29.3° | 60.0° |
| C8 | N10 | C11 | H7 | 149.3° | 60.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | H2 | 179.6° | 180.0° |
| C3 | C2 | C7 | H4 | 179.6° | 180.0° |
| C8 | C5 | C4 | C3 | 179.7° | 180.0° |
| C8 | C5 | C4 | H2 | 0.3° | 0.0° |
| C8 | C5 | C6 | H3 | 0.2° | 0.0° |
| C5 | C8 | N10 | H5 | 0.4° | 0.1° |
| C4 | C5 | C8 | O9 | 11.2° | 0.0° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | H1 | 179.6° | 180.0° |
| C4 | C5 | C6 | H3 | 179.5° | 180.0° |
| O9 | C8 | N10 | H5 | 180.0° | 180.0° |
| H1 | C3 | C4 | H2 | 0.3° | 0.0° |
| H3 | C6 | C7 | H4 | 0.5° | 0.0° |
| H5 | N10 | C11 | H6 | 150.7° | 120.0° |
| H5 | N10 | C11 | H7 | 30.7° | 120.0° |
| H8 | C17 | C18 | H10 | 24.3° | 50.8° |
| H8 | C17 | C18 | H11 | 95.1° | 171.1° |
| H9 | C17 | C18 | H10 | 142.7° | 68.7° |
| H9 | C17 | C18 | H11 | 23.3° | 51.6° |
| H10 | C18 | C19 | H12 | 175.8° | 63.1° |
| H10 | C18 | C19 | H13 | 55.0° | 57.8° |
| H11 | C18 | C19 | H12 | 56.3° | 176.5° |
| H11 | C18 | C19 | H13 | 64.4° | 62.6° |
| H14 | C24 | C25 | H18 | 0.1° | 0.0° |
| H16 | C13 | C14 | H17 | 1.0° | 0.6° |
| H18 | C25 | C26 | H19 | 0.5° | 0.3° |
