6DG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N20 | C18 | sing | 1.47Å | 1.47Å | |
| C18 | C6 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| F26 | C11 | sing | 1.35Å | 1.35Å | |
| C6 | C17 | sing | 1.53Å | 1.54Å | |
| C11 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C15 | sing | 1.51Å | 1.50Å | |
| C5 | N24 | sing | 1.48Å | 1.48Å | |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| N21 | C15 | doub | 1.32Å | 1.37Å | Aromatic |
| N21 | N23 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.45Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.47Å | Aromatic |
| C13 | C19 | sing | 1.51Å | 1.49Å | |
| C17 | N24 | sing | 1.47Å | 1.48Å | |
| C17 | C7 | sing | 1.53Å | 1.54Å | |
| C12 | F27 | sing | 1.35Å | 1.34Å | |
| C19 | O25 | sing | 1.43Å | 1.44Å | |
| N24 | C4 | sing | 1.48Å | 1.49Å | |
| N23 | C9 | sing | 1.36Å | 1.35Å | Aromatic |
| N23 | C16 | sing | 1.37Å | 1.33Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.40Å | Aromatic |
| O25 | C7 | sing | 1.43Å | 1.44Å | |
| C14 | C4 | sing | 1.51Å | 1.51Å | |
| C14 | C16 | doub | 1.39Å | 1.47Å | Aromatic |
| C16 | N22 | sing | 1.34Å | 1.35Å | Aromatic |
| C8 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| N22 | C10 | doub | 1.31Å | 1.36Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| N20 | H12 | sing | 1.01Å | 1.00Å | |
| N20 | H13 | sing | 1.01Å | 1.00Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.08Å | 1.08Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N20 | C18 | C6 | 111.9° | 109.5° |
| N20 | C18 | C19 | 112.0° | 109.5° |
| N20 | C18 | H11 | 108.2° | 109.6° |
| C18 | N20 | H12 | 109.5° | 111.0° |
| C18 | N20 | H13 | 109.5° | 111.0° |
| C6 | C18 | C19 | 109.8° | 109.1° |
| C18 | C6 | C17 | 108.5° | 109.0° |
| C18 | C6 | H5 | 109.7° | 109.5° |
| C18 | C6 | H6 | 109.7° | 109.7° |
| C6 | C18 | H11 | 107.4° | 109.5° |
| C18 | C19 | C13 | 109.6° | 109.5° |
| C18 | C19 | O25 | 109.6° | 109.4° |
| C18 | C19 | H10 | 108.5° | 109.5° |
| C19 | C18 | H11 | 107.2° | 109.5° |
| F26 | C11 | C1 | 119.7° | 120.0° |
| F26 | C11 | C3 | 119.1° | 120.0° |
| C6 | C17 | N24 | 110.6° | 109.5° |
| C6 | C17 | C7 | 109.8° | 109.2° |
| C17 | C6 | H5 | 109.7° | 109.6° |
| C17 | C6 | H6 | 109.7° | 109.6° |
| C6 | C17 | H17 | 108.3° | 109.6° |
| C1 | C11 | C3 | 121.2° | 120.0° |
| C11 | C1 | C2 | 119.7° | 120.0° |
| C11 | C1 | H9 | 120.1° | 120.0° |
| C11 | C3 | C13 | 121.0° | 120.0° |
| C11 | C3 | H2 | 119.5° | 120.0° |
| C15 | C5 | N24 | 98.7° | 105.7° |
| C5 | C15 | N21 | 138.4° | 143.2° |
| C5 | C15 | C14 | 110.6° | 108.1° |
| C15 | C5 | H3 | 112.1° | 110.2° |
| C15 | C5 | H4 | 112.1° | 110.2° |
| C5 | N24 | C17 | 119.0° | 111.0° |
| C5 | N24 | C4 | 120.2° | 103.9° |
| N24 | C5 | H3 | 112.1° | 110.2° |
| N24 | C5 | H4 | 112.1° | 110.2° |
| C1 | C2 | C12 | 120.5° | 120.0° |
| C1 | C2 | H1 | 119.7° | 120.0° |
| C2 | C1 | H9 | 120.2° | 120.0° |
| C3 | C13 | C12 | 117.9° | 120.0° |
| C3 | C13 | C19 | 121.9° | 120.0° |
| C13 | C3 | H2 | 119.5° | 120.0° |
| C15 | N21 | N23 | 103.3° | 109.0° |
| N21 | C15 | C14 | 111.1° | 108.8° |
| N21 | N23 | C9 | 123.6° | 132.6° |
| N21 | N23 | C16 | 116.1° | 107.7° |
| C2 | C12 | C13 | 119.7° | 120.0° |
| C2 | C12 | F27 | 121.0° | 120.0° |
| C12 | C2 | H1 | 119.8° | 120.0° |
| C15 | C14 | C4 | 113.4° | 108.3° |
| C15 | C14 | C16 | 105.2° | 107.7° |
| C12 | C13 | C19 | 120.1° | 120.0° |
| C13 | C12 | F27 | 119.3° | 120.0° |
| C13 | C19 | O25 | 109.9° | 109.5° |
| C13 | C19 | H10 | 109.2° | 109.5° |
| N24 | C17 | C7 | 110.5° | 109.5° |
| C17 | N24 | C4 | 120.5° | 111.0° |
| N24 | C17 | H17 | 109.2° | 109.5° |
| C17 | C7 | O25 | 107.1° | 109.4° |
| C17 | C7 | H15 | 110.1° | 109.5° |
| C17 | C7 | H16 | 110.1° | 109.6° |
| C7 | C17 | H17 | 108.3° | 109.6° |
| C19 | O25 | C7 | 112.7° | 114.1° |
| O25 | C19 | H10 | 109.9° | 109.5° |
| N24 | C4 | C14 | 96.7° | 105.7° |
| N24 | C4 | H18 | 112.6° | 110.2° |
| N24 | C4 | H14 | 112.6° | 110.2° |
| C9 | N23 | C16 | 120.3° | 119.7° |
| N23 | C9 | C8 | 117.7° | 119.2° |
| N23 | C9 | H8 | 121.2° | 120.4° |
| N23 | C16 | C14 | 104.2° | 106.9° |
| N23 | C16 | N22 | 124.7° | 120.5° |
| C9 | C8 | C10 | 120.6° | 119.4° |
| C9 | C8 | H7 | 119.7° | 120.3° |
| C8 | C9 | H8 | 121.2° | 120.4° |
| O25 | C7 | H15 | 110.0° | 109.5° |
| O25 | C7 | H16 | 110.1° | 109.4° |
| C4 | C14 | C16 | 141.4° | 144.0° |
| C14 | C4 | H18 | 112.6° | 110.2° |
| C14 | C4 | H14 | 112.5° | 110.3° |
| C14 | C16 | N22 | 131.1° | 132.6° |
| C16 | N22 | C10 | 117.3° | 120.8° |
| C8 | C10 | N22 | 119.4° | 120.3° |
| C10 | C8 | H7 | 119.7° | 120.3° |
| C8 | C10 | H19 | 120.3° | 119.9° |
| N22 | C10 | H19 | 120.3° | 119.8° |
| H3 | C5 | H4 | 109.5° | 110.3° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H12 | N20 | H13 | 109.5° | 111.0° |
| H15 | C7 | H16 | 109.5° | 109.5° |
| H18 | C4 | H14 | 109.5° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N20 | C18 | C6 | C19 | 125.1° | 119.9° |
| N20 | C18 | C6 | H11 | 118.6° | 120.2° |
| N20 | C18 | C19 | H11 | 118.6° | 120.2° |
| N20 | C18 | C6 | C17 | 179.6° | 176.9° |
| N20 | C18 | C19 | C13 | 57.4° | 62.5° |
| N20 | C18 | C19 | O25 | 178.1° | 177.5° |
| N20 | C18 | C6 | H5 | 60.6° | 63.2° |
| N20 | C18 | C6 | H6 | 59.7° | 56.9° |
| N20 | C18 | C19 | H10 | 61.8° | 57.5° |
| C18 | N20 | H12 | H13 | 120.0° | 124.0° |
| C6 | C18 | C19 | H11 | 116.4° | 119.9° |
| C18 | C6 | C17 | H5 | 119.9° | 119.8° |
| C18 | C6 | C17 | H6 | 119.8° | 120.0° |
| C6 | C18 | C19 | C13 | 177.5° | 177.6° |
| C18 | C6 | C17 | N24 | 179.5° | 176.9° |
| C18 | C6 | C17 | C7 | 57.3° | 57.0° |
| C6 | C18 | C19 | O25 | 56.8° | 57.6° |
| C18 | C6 | H5 | H6 | 120.4° | 120.3° |
| C6 | C18 | C19 | H10 | 63.2° | 62.4° |
| C6 | C18 | N20 | H12 | 180.0° | 180.0° |
| C6 | C18 | N20 | H13 | 60.0° | 56.1° |
| C18 | C6 | C17 | H17 | 60.8° | 63.0° |
| C19 | C18 | C6 | C17 | 54.5° | 57.0° |
| C18 | C19 | C13 | C3 | 71.7° | 94.9° |
| C18 | C19 | C13 | C12 | 107.9° | 85.1° |
| C18 | C19 | C13 | O25 | 120.5° | 119.9° |
| C18 | C19 | C13 | H10 | 118.8° | 120.1° |
| C18 | C19 | O25 | H10 | 119.2° | 120.0° |
| C18 | C19 | O25 | C7 | 63.4° | 61.2° |
| C19 | C18 | C6 | H5 | 174.3° | 176.9° |
| C19 | C18 | C6 | H6 | 65.4° | 62.9° |
| C19 | C18 | N20 | H12 | 56.2° | 60.3° |
| C19 | C18 | N20 | H13 | 63.9° | 63.6° |
| F26 | C11 | C1 | C3 | 179.0° | 179.5° |
| F26 | C11 | C1 | C2 | 179.5° | 180.0° |
| F26 | C11 | C3 | C13 | 179.9° | 179.7° |
| F26 | C11 | C3 | H2 | 0.2° | 0.2° |
| F26 | C11 | C1 | H9 | 0.5° | 0.5° |
| C6 | C17 | N24 | C5 | 30.8° | 59.9° |
| C6 | C17 | N24 | C7 | 121.8° | 119.7° |
| C6 | C17 | N24 | H17 | 119.2° | 120.1° |
| C6 | C17 | C7 | H17 | 118.1° | 120.0° |
| C6 | C17 | N24 | C4 | 156.2° | 175.0° |
| C6 | C17 | C7 | O25 | 60.9° | 57.6° |
| C17 | C6 | H5 | H6 | 120.5° | 120.2° |
| C17 | C6 | C18 | H11 | 61.8° | 62.9° |
| C6 | C17 | C7 | H15 | 179.5° | 62.3° |
| C6 | C17 | C7 | H16 | 58.8° | 177.6° |
| C11 | C1 | C2 | H9 | 180.0° | 179.4° |
| C1 | C11 | C3 | C13 | 0.9° | 0.8° |
| C11 | C1 | C2 | C12 | 0.2° | 0.0° |
| C11 | C1 | C2 | H1 | 179.8° | 179.7° |
| C1 | C11 | C3 | H2 | 179.1° | 179.7° |
| C3 | C11 | C1 | C2 | 0.6° | 0.5° |
| C11 | C3 | C13 | H2 | 180.0° | 179.5° |
| C11 | C3 | C13 | C12 | 0.4° | 0.5° |
| C11 | C3 | C13 | C19 | 180.0° | 179.5° |
| C3 | C11 | C1 | H9 | 179.4° | 180.0° |
| C15 | C5 | N24 | H3 | 118.2° | 119.0° |
| C15 | C5 | N24 | H4 | 118.2° | 119.0° |
| C5 | C15 | N21 | C14 | 179.5° | 180.0° |
| C5 | C15 | N21 | N23 | 179.0° | 180.0° |
| C15 | C5 | N24 | C17 | 165.0° | 147.1° |
| C15 | C5 | N24 | C4 | 8.1° | 27.8° |
| C5 | C15 | C14 | C4 | 1.0° | 0.0° |
| C5 | C15 | C14 | C16 | 179.7° | 180.0° |
| C15 | C5 | H3 | H4 | 125.1° | 121.9° |
| N24 | C5 | C15 | N21 | 175.6° | 162.5° |
| N24 | C5 | C15 | C14 | 4.9° | 17.6° |
| C5 | N24 | C17 | C4 | 173.0° | 115.1° |
| C5 | N24 | C17 | C7 | 152.6° | 179.6° |
| C5 | N24 | C4 | C14 | 7.4° | 27.7° |
| N24 | C5 | H3 | H4 | 125.0° | 121.9° |
| C5 | N24 | C17 | H17 | 88.3° | 60.3° |
| C5 | N24 | C4 | H18 | 110.4° | 146.8° |
| C5 | N24 | C4 | H14 | 125.2° | 91.4° |
| C1 | C2 | C12 | H1 | 180.0° | 179.6° |
| C1 | C2 | C12 | C13 | 0.8° | 0.3° |
| C1 | C2 | C12 | F27 | 179.8° | 179.7° |
| C3 | C13 | C12 | C2 | 0.5° | 0.0° |
| C3 | C13 | C12 | C19 | 179.7° | 180.0° |
| C3 | C13 | C12 | F27 | 179.9° | 180.0° |
| C3 | C13 | C19 | O25 | 48.8° | 25.0° |
| C3 | C13 | C19 | H10 | 169.5° | 145.0° |
| C15 | N21 | N23 | C9 | 179.9° | 180.0° |
| C15 | N21 | N23 | C16 | 0.9° | 0.0° |
| N21 | C15 | C14 | C4 | 179.4° | 180.0° |
| N21 | C15 | C14 | C16 | 0.0° | 0.0° |
| N21 | C15 | C5 | H3 | 66.2° | 78.5° |
| N21 | C15 | C5 | H4 | 57.4° | 43.4° |
| N23 | N21 | C15 | C14 | 0.5° | 0.0° |
| N21 | N23 | C9 | C16 | 179.2° | 180.0° |
| N21 | N23 | C9 | C8 | 178.7° | 180.0° |
| N21 | N23 | C16 | C14 | 0.9° | 0.0° |
| N21 | N23 | C16 | N22 | 179.0° | 180.0° |
| N21 | N23 | C9 | H8 | 1.3° | 0.0° |
| C2 | C12 | C13 | F27 | 179.5° | 180.0° |
| C2 | C12 | C13 | C19 | 179.2° | 180.0° |
| C12 | C2 | C1 | H9 | 179.7° | 179.4° |
| C15 | C14 | C4 | N24 | 3.4° | 17.6° |
| C15 | C14 | C16 | N23 | 0.5° | 0.0° |
| C15 | C14 | C4 | C16 | 179.0° | 180.0° |
| C15 | C14 | C16 | N22 | 179.4° | 180.0° |
| C14 | C15 | C5 | H3 | 113.3° | 101.5° |
| C14 | C15 | C5 | H4 | 123.1° | 136.6° |
| C15 | C14 | C4 | H18 | 114.4° | 136.6° |
| C15 | C14 | C4 | H14 | 121.2° | 101.5° |
| C12 | C13 | C19 | O25 | 131.5° | 155.0° |
| C13 | C12 | C2 | H1 | 179.3° | 179.9° |
| C12 | C13 | C3 | H2 | 179.7° | 180.0° |
| C12 | C13 | C19 | H10 | 10.8° | 35.0° |
| C19 | C13 | C12 | F27 | 0.2° | 0.0° |
| C13 | C19 | O25 | H10 | 120.3° | 120.0° |
| C13 | C19 | O25 | C7 | 176.0° | 178.9° |
| C19 | C13 | C3 | H2 | 0.0° | 0.0° |
| C13 | C19 | C18 | H11 | 61.1° | 57.7° |
| N24 | C17 | C7 | H17 | 119.6° | 120.1° |
| N24 | C17 | C7 | O25 | 176.9° | 177.5° |
| C17 | N24 | C4 | C14 | 165.5° | 147.1° |
| C17 | N24 | C5 | H3 | 76.8° | 28.1° |
| C17 | N24 | C5 | H4 | 46.7° | 93.8° |
| N24 | C17 | C6 | H5 | 60.7° | 63.3° |
| N24 | C17 | C6 | H6 | 59.6° | 56.9° |
| N24 | C17 | C7 | H15 | 57.3° | 57.6° |
| N24 | C17 | C7 | H16 | 63.5° | 62.5° |
| C17 | N24 | C4 | H18 | 76.6° | 93.8° |
| C17 | N24 | C4 | H14 | 47.7° | 28.0° |
| C17 | C7 | O25 | C19 | 64.8° | 61.2° |
| C7 | C17 | N24 | C4 | 34.4° | 65.4° |
| C17 | C7 | O25 | H15 | 119.6° | 120.0° |
| C17 | C7 | O25 | H16 | 119.6° | 120.0° |
| C7 | C17 | C6 | H5 | 177.2° | 176.9° |
| C7 | C17 | C6 | H6 | 62.5° | 63.0° |
| C17 | C7 | H15 | H16 | 121.1° | 120.1° |
| F27 | C12 | C2 | H1 | 0.2° | 0.1° |
| O25 | C19 | C18 | H11 | 59.6° | 62.3° |
| C19 | O25 | C7 | H15 | 175.5° | 58.8° |
| C19 | O25 | C7 | H16 | 54.8° | 178.8° |
| N24 | C4 | C14 | H18 | 117.8° | 119.0° |
| N24 | C4 | C14 | H14 | 117.8° | 119.1° |
| N24 | C4 | C14 | C16 | 175.6° | 162.4° |
| C4 | N24 | C5 | H3 | 110.1° | 91.3° |
| C4 | N24 | C5 | H4 | 126.3° | 146.8° |
| C4 | N24 | C17 | H17 | 84.7° | 54.8° |
| N24 | C4 | H18 | H14 | 126.0° | 121.8° |
| N23 | C9 | C8 | H8 | 180.0° | 179.9° |
| C9 | N23 | C16 | C14 | 179.8° | 180.0° |
| C9 | N23 | C16 | N22 | 0.2° | 0.0° |
| N23 | C9 | C8 | C10 | 0.7° | 0.1° |
| N23 | C9 | C8 | H7 | 179.3° | 179.9° |
| C16 | N23 | C9 | C8 | 0.5° | 0.1° |
| N23 | C16 | C14 | C4 | 179.6° | 180.0° |
| N23 | C16 | C14 | N22 | 179.9° | 180.0° |
| N23 | C16 | N22 | C10 | 0.2° | 0.0° |
| C16 | N23 | C9 | H8 | 179.5° | 180.0° |
| C9 | C8 | C10 | H7 | 180.0° | 180.0° |
| C9 | C8 | C10 | N22 | 0.7° | 0.0° |
| C9 | C8 | C10 | H19 | 179.3° | 180.0° |
| C7 | O25 | C19 | H10 | 55.8° | 58.8° |
| O25 | C7 | H15 | H16 | 121.1° | 119.9° |
| O25 | C7 | C17 | H17 | 57.2° | 62.4° |
| C4 | C14 | C16 | N22 | 0.3° | 0.1° |
| C14 | C4 | H18 | H14 | 126.0° | 122.0° |
| C14 | C16 | N22 | C10 | 179.9° | 179.9° |
| C16 | C14 | C4 | H18 | 66.6° | 43.4° |
| C16 | C14 | C4 | H14 | 57.8° | 78.5° |
| C16 | N22 | C10 | C8 | 0.4° | 0.0° |
| C16 | N22 | C10 | H19 | 179.6° | 180.0° |
| C8 | C10 | N22 | H19 | 180.0° | 180.0° |
| C10 | C8 | C9 | H8 | 179.3° | 180.0° |
| N22 | C10 | C8 | H7 | 179.3° | 179.9° |
| H1 | C2 | C1 | H9 | 0.2° | 0.2° |
| H5 | C6 | C18 | H11 | 58.0° | 57.0° |
| H5 | C6 | C17 | H17 | 59.0° | 56.8° |
| H6 | C6 | C18 | H11 | 178.3° | 177.1° |
| H6 | C6 | C17 | H17 | 179.3° | 177.0° |
| H7 | C8 | C9 | H8 | 0.7° | 0.0° |
| H7 | C8 | C10 | H19 | 0.7° | 0.1° |
| H10 | C19 | C18 | H11 | 179.6° | 177.7° |
| H11 | C18 | N20 | H12 | 61.8° | 59.9° |
| H11 | C18 | N20 | H13 | 178.1° | 176.2° |
| H15 | C7 | C17 | H17 | 62.4° | 177.7° |
| H16 | C7 | C17 | H17 | 176.9° | 57.6° |
