43G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C8 | sing | 1.48Å | 1.49Å | |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | N | sing | 1.40Å | 1.35Å | |
| N | C1 | sing | 1.36Å | 1.37Å | |
| N | C2 | sing | 1.36Å | 1.36Å | |
| C1 | C | doub | 1.35Å | 1.40Å | |
| C2 | C3 | doub | 1.35Å | 1.41Å | |
| C | O5 | sing | 1.36Å | 1.36Å | |
| C | C4 | sing | 1.42Å | 1.41Å | |
| C3 | C4 | sing | 1.41Å | 1.40Å | |
| C4 | O | doub | 1.22Å | 1.33Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| O5 | H6 | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 120.7° | 120.2° |
| C15 | C14 | C13 | 118.6° | 120.1° |
| C15 | C14 | H12 | 120.7° | 120.0° |
| C14 | C15 | H13 | 119.7° | 119.9° |
| C15 | C16 | C17 | 120.4° | 120.1° |
| C16 | C15 | H13 | 119.6° | 119.8° |
| C15 | C16 | H14 | 119.8° | 119.9° |
| C14 | C13 | C12 | 121.5° | 119.9° |
| C14 | C13 | H11 | 119.3° | 120.1° |
| C13 | C14 | H12 | 120.7° | 119.9° |
| C16 | C17 | C12 | 119.4° | 119.9° |
| C17 | C16 | H14 | 119.8° | 119.9° |
| C16 | C17 | H15 | 120.3° | 120.0° |
| C13 | C12 | C17 | 119.4° | 119.8° |
| C13 | C12 | C8 | 118.8° | 120.1° |
| C12 | C13 | H11 | 119.3° | 120.1° |
| C17 | C12 | C8 | 121.8° | 120.1° |
| C12 | C17 | H15 | 120.3° | 120.1° |
| C12 | C8 | C9 | 120.9° | 120.1° |
| C12 | C8 | C7 | 121.2° | 120.1° |
| C9 | C8 | C7 | 117.9° | 119.8° |
| C8 | C9 | C10 | 122.1° | 120.0° |
| C8 | C9 | H8 | 118.9° | 120.0° |
| C8 | C7 | C6 | 122.4° | 119.8° |
| C8 | C7 | H7 | 118.8° | 120.0° |
| C9 | C10 | C11 | 118.1° | 120.2° |
| C10 | C9 | H8 | 118.9° | 120.0° |
| C9 | C10 | H9 | 121.0° | 119.9° |
| C7 | C6 | C11 | 117.4° | 119.9° |
| C7 | C6 | N | 124.2° | 120.0° |
| C6 | C7 | H7 | 118.8° | 120.1° |
| C10 | C11 | C6 | 122.1° | 120.2° |
| C11 | C10 | H9 | 121.0° | 119.9° |
| C10 | C11 | H10 | 119.0° | 119.9° |
| C11 | C6 | N | 118.2° | 120.0° |
| C6 | C11 | H10 | 119.0° | 119.9° |
| C6 | N | C1 | 120.1° | 119.3° |
| C6 | N | C2 | 122.2° | 119.3° |
| C1 | N | C2 | 117.6° | 121.4° |
| N | C1 | C | 122.4° | 120.6° |
| N | C1 | H1 | 118.8° | 119.7° |
| N | C2 | C3 | 124.3° | 120.7° |
| N | C2 | H2 | 117.8° | 119.6° |
| C1 | C | O5 | 121.1° | 120.4° |
| C1 | C | C4 | 118.3° | 119.2° |
| C | C1 | H1 | 118.8° | 119.7° |
| C2 | C3 | C4 | 116.7° | 119.4° |
| C3 | C2 | H2 | 117.9° | 119.7° |
| C2 | C3 | H4 | 121.6° | 120.3° |
| O5 | C | C4 | 120.6° | 120.4° |
| C | O5 | H6 | 109.5° | 114.0° |
| C | C4 | C3 | 120.6° | 118.7° |
| C | C4 | O | 119.7° | 120.7° |
| C3 | C4 | O | 119.7° | 120.6° |
| C4 | C3 | H4 | 121.6° | 120.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| C15 | C14 | C13 | H12 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.3° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C15 | C14 | C13 | H11 | 179.9° | 180.0° |
| C14 | C15 | C16 | H14 | 179.7° | 180.0° |
| C16 | C15 | C14 | C13 | 0.3° | 0.0° |
| C15 | C16 | C17 | H14 | 180.0° | 179.8° |
| C15 | C16 | C17 | C12 | 0.0° | 0.6° |
| C16 | C15 | C14 | H12 | 179.6° | 180.0° |
| C15 | C16 | C17 | H15 | 179.9° | 180.0° |
| C14 | C13 | C12 | H11 | 180.0° | 180.0° |
| C14 | C13 | C12 | C17 | 0.1° | 0.3° |
| C14 | C13 | C12 | C8 | 178.7° | 180.0° |
| C13 | C14 | C15 | H13 | 179.6° | 180.0° |
| C16 | C17 | C12 | C13 | 0.2° | 0.6° |
| C16 | C17 | C12 | H15 | 180.0° | 179.5° |
| C16 | C17 | C12 | C8 | 178.6° | 179.7° |
| C17 | C16 | C15 | H13 | 179.7° | 179.7° |
| C13 | C12 | C17 | C8 | 178.8° | 179.7° |
| C13 | C12 | C8 | C9 | 39.0° | 0.0° |
| C13 | C12 | C8 | C7 | 140.5° | 180.0° |
| C12 | C13 | C14 | H12 | 179.9° | 180.0° |
| C13 | C12 | C17 | H15 | 179.8° | 180.0° |
| C17 | C12 | C8 | C9 | 142.2° | 179.7° |
| C17 | C12 | C8 | C7 | 38.3° | 0.2° |
| C17 | C12 | C13 | H11 | 179.9° | 179.7° |
| C12 | C17 | C16 | H14 | 180.0° | 179.7° |
| C12 | C8 | C9 | C7 | 179.5° | 179.9° |
| C12 | C8 | C9 | C10 | 178.6° | 179.9° |
| C12 | C8 | C7 | C6 | 179.6° | 180.0° |
| C12 | C8 | C7 | H7 | 0.4° | 0.0° |
| C12 | C8 | C9 | H8 | 1.4° | 0.1° |
| C8 | C12 | C13 | H11 | 1.3° | 0.0° |
| C8 | C12 | C17 | H15 | 1.4° | 0.2° |
| C8 | C9 | C10 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.9° | 0.1° |
| C8 | C9 | C10 | C11 | 0.9° | 0.0° |
| C9 | C8 | C7 | H7 | 179.2° | 180.0° |
| C8 | C9 | C10 | H9 | 179.1° | 180.0° |
| C7 | C8 | C9 | C10 | 0.9° | 0.0° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | C11 | 2.5° | 0.0° |
| C8 | C7 | C6 | N | 177.8° | 179.7° |
| C7 | C8 | C9 | H8 | 179.1° | 180.0° |
| C9 | C10 | C11 | H9 | 180.0° | 180.0° |
| C9 | C10 | C11 | C6 | 0.8° | 0.0° |
| C9 | C10 | C11 | H10 | 179.2° | 179.7° |
| C7 | C6 | C11 | C10 | 2.5° | 0.0° |
| C7 | C6 | C11 | N | 175.6° | 179.8° |
| C7 | C6 | N | C1 | 45.1° | 174.6° |
| C7 | C6 | N | C2 | 139.2° | 5.5° |
| C7 | C6 | C11 | H10 | 177.5° | 179.7° |
| C10 | C11 | C6 | H10 | 180.0° | 179.7° |
| C10 | C11 | C6 | N | 178.1° | 179.8° |
| C11 | C10 | C9 | H8 | 179.1° | 180.0° |
| C11 | C6 | N | C1 | 130.2° | 5.6° |
| C11 | C6 | N | C2 | 45.5° | 174.3° |
| C11 | C6 | C7 | H7 | 177.6° | 180.0° |
| C6 | C11 | C10 | H9 | 179.2° | 180.0° |
| C6 | N | C1 | C2 | 175.8° | 179.9° |
| C6 | N | C1 | C | 177.8° | 180.0° |
| C6 | N | C2 | C3 | 177.8° | 179.9° |
| C6 | N | C1 | H1 | 2.2° | 0.1° |
| C6 | N | C2 | H2 | 2.2° | 0.0° |
| N | C6 | C7 | H7 | 2.2° | 0.3° |
| N | C6 | C11 | H10 | 1.9° | 0.1° |
| N | C1 | C | H1 | 180.0° | 179.9° |
| C1 | N | C2 | C3 | 2.1° | 0.0° |
| N | C1 | C | O5 | 179.0° | 180.0° |
| N | C1 | C | C4 | 2.2° | 0.2° |
| C1 | N | C2 | H2 | 177.9° | 179.9° |
| C2 | N | C1 | C | 2.0° | 0.1° |
| N | C2 | C3 | H2 | 180.0° | 180.0° |
| N | C2 | C3 | C4 | 2.3° | 0.3° |
| C2 | N | C1 | H1 | 178.0° | 180.0° |
| N | C2 | C3 | H4 | 177.7° | 180.0° |
| C1 | C | O5 | C4 | 178.8° | 179.8° |
| C1 | C | C4 | C3 | 2.4° | 0.5° |
| C1 | C | C4 | O | 179.0° | 179.8° |
| C1 | C | O5 | H6 | 178.8° | 179.8° |
| C2 | C3 | C4 | C | 2.4° | 0.5° |
| C2 | C3 | C4 | H4 | 180.0° | 179.7° |
| C2 | C3 | C4 | O | 178.9° | 179.7° |
| O5 | C | C4 | C3 | 178.8° | 179.7° |
| O5 | C | C4 | O | 0.1° | 0.0° |
| O5 | C | C1 | H1 | 1.0° | 0.0° |
| C | C4 | C3 | O | 178.7° | 179.7° |
| C4 | C | C1 | H1 | 177.8° | 179.7° |
| C | C4 | C3 | H4 | 177.6° | 179.7° |
| C4 | C | O5 | H6 | 0.0° | 0.0° |
| C4 | C3 | C2 | H2 | 177.7° | 179.7° |
| O | C4 | C3 | H4 | 1.0° | 0.0° |
| H2 | C2 | C3 | H4 | 2.3° | 0.0° |
| H8 | C9 | C10 | H9 | 0.9° | 0.0° |
| H9 | C10 | C11 | H10 | 0.8° | 0.3° |
| H11 | C13 | C14 | H12 | 0.1° | 0.1° |
| H12 | C14 | C15 | H13 | 0.4° | 0.0° |
| H13 | C15 | C16 | H14 | 0.3° | 0.0° |
| H14 | C16 | C17 | H15 | 0.0° | 0.2° |
