6JH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | N | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| N | C6 | doub | 1.32Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C7 | C11 | sing | 1.48Å | 1.46Å | |
| C6 | O | sing | 1.36Å | 1.35Å | |
| N1 | C11 | doub | 1.29Å | 1.32Å | Aromatic |
| N1 | C12 | sing | 1.33Å | 1.42Å | Aromatic |
| C11 | S | sing | 1.76Å | 1.79Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.39Å | Aromatic |
| O | C3 | sing | 1.36Å | 1.39Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.42Å | 1.39Å | Aromatic |
| C12 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.36Å | 1.39Å | Aromatic |
| S | C16 | sing | 1.76Å | 1.71Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | N2 | doub | 1.32Å | 1.36Å | Aromatic |
| C15 | N2 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| C | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 118.6° | 119.4° |
| C9 | C10 | N | 123.5° | 121.2° |
| C10 | C9 | H4 | 120.7° | 120.3° |
| C9 | C10 | H5 | 118.3° | 119.4° |
| C9 | C8 | C7 | 120.9° | 118.4° |
| C9 | C8 | H3 | 119.6° | 120.8° |
| C8 | C9 | H4 | 120.7° | 120.3° |
| C10 | N | C6 | 117.0° | 121.7° |
| N | C10 | H5 | 118.2° | 119.4° |
| C8 | C7 | C6 | 116.1° | 118.8° |
| C8 | C7 | C11 | 118.2° | 120.6° |
| C7 | C8 | H3 | 119.5° | 120.8° |
| N | C6 | C7 | 123.9° | 120.4° |
| N | C6 | O | 116.9° | 119.8° |
| C6 | C7 | C11 | 125.8° | 120.5° |
| C7 | C6 | O | 119.2° | 119.8° |
| C7 | C11 | N1 | 123.8° | 124.8° |
| C7 | C11 | S | 121.4° | 124.9° |
| C6 | O | C3 | 116.2° | 118.0° |
| C11 | N1 | C12 | 109.9° | 118.0° |
| N1 | C11 | S | 114.8° | 110.3° |
| N1 | C12 | C13 | 124.8° | 129.9° |
| N1 | C12 | C16 | 115.1° | 113.1° |
| C11 | S | C16 | 89.5° | 90.3° |
| C1 | C2 | C3 | 117.8° | 119.9° |
| C2 | C1 | C | 120.4° | 120.1° |
| C1 | C2 | H9 | 121.1° | 120.1° |
| C2 | C1 | H10 | 119.8° | 119.9° |
| C2 | C3 | O | 119.0° | 120.1° |
| C2 | C3 | C4 | 122.9° | 119.9° |
| C3 | C2 | H9 | 121.1° | 120.0° |
| C1 | C | C5 | 120.4° | 120.1° |
| C | C1 | H10 | 119.8° | 120.0° |
| C1 | C | H11 | 119.8° | 119.9° |
| O | C3 | C4 | 118.1° | 120.0° |
| C3 | C4 | C5 | 118.0° | 119.9° |
| C3 | C4 | H1 | 121.0° | 120.0° |
| C | C5 | C4 | 120.3° | 120.1° |
| C | C5 | H2 | 119.8° | 119.9° |
| C5 | C | H11 | 119.8° | 120.0° |
| C5 | C4 | H1 | 121.0° | 120.1° |
| C4 | C5 | H2 | 119.8° | 120.0° |
| C13 | C12 | C16 | 120.1° | 117.0° |
| C12 | C13 | C14 | 116.4° | 119.4° |
| C12 | C13 | H6 | 121.8° | 120.3° |
| C12 | C16 | S | 110.6° | 108.3° |
| C12 | C16 | C15 | 119.2° | 119.6° |
| C13 | C14 | N2 | 124.6° | 121.7° |
| C14 | C13 | H6 | 121.8° | 120.3° |
| C13 | C14 | H7 | 117.7° | 119.1° |
| S | C16 | C15 | 130.2° | 132.1° |
| C16 | C15 | N2 | 121.6° | 120.5° |
| C16 | C15 | H8 | 119.2° | 119.7° |
| C14 | N2 | C15 | 118.2° | 121.8° |
| N2 | C14 | H7 | 117.7° | 119.1° |
| N2 | C15 | H8 | 119.2° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H4 | 180.0° | 179.7° |
| C9 | C10 | N | H5 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 0.0° | 0.0° |
| C9 | C10 | N | C6 | 0.1° | 0.6° |
| C10 | C9 | C8 | H3 | 180.0° | 180.0° |
| C8 | C9 | C10 | N | 0.0° | 0.3° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C9 | C8 | C7 | C11 | 180.0° | 180.0° |
| C8 | C9 | C10 | H5 | 179.9° | 180.0° |
| C10 | N | C6 | C7 | 0.1° | 0.5° |
| C10 | N | C6 | O | 180.0° | 179.8° |
| N | C10 | C9 | H4 | 180.0° | 180.0° |
| C8 | C7 | C6 | N | 0.0° | 0.2° |
| C8 | C7 | C6 | C11 | 180.0° | 180.0° |
| C8 | C7 | C6 | O | 180.0° | 180.0° |
| C8 | C7 | C11 | N1 | 0.0° | 0.0° |
| C8 | C7 | C11 | S | 180.0° | 180.0° |
| C7 | C8 | C9 | H4 | 180.0° | 179.8° |
| N | C6 | C7 | O | 180.0° | 179.7° |
| N | C6 | C7 | C11 | 180.0° | 179.8° |
| N | C6 | O | C3 | 0.0° | 5.1° |
| C6 | N | C10 | H5 | 179.9° | 179.8° |
| C6 | C7 | C11 | N1 | 180.0° | 180.0° |
| C6 | C7 | C11 | S | 0.0° | 0.0° |
| C7 | C6 | O | C3 | 180.0° | 175.1° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C11 | C7 | C6 | O | 0.0° | 0.1° |
| C7 | C11 | N1 | S | 180.0° | 180.0° |
| C7 | C11 | N1 | C12 | 180.0° | 180.0° |
| C7 | C11 | S | C16 | 180.0° | 180.0° |
| C11 | C7 | C8 | H3 | 0.0° | 0.0° |
| C6 | O | C3 | C2 | 109.2° | 103.0° |
| C6 | O | C3 | C4 | 70.8° | 76.9° |
| C11 | N1 | C12 | C13 | 180.0° | 180.0° |
| C11 | N1 | C12 | C16 | 0.0° | 0.1° |
| N1 | C11 | S | C16 | 0.0° | 0.0° |
| C12 | N1 | C11 | S | 0.0° | 0.0° |
| N1 | C12 | C13 | C16 | 180.0° | 180.0° |
| N1 | C12 | C13 | C14 | 180.0° | 180.0° |
| N1 | C12 | C16 | S | 0.0° | 0.0° |
| N1 | C12 | C16 | C15 | 180.0° | 180.0° |
| N1 | C12 | C13 | H6 | 0.0° | 0.0° |
| C11 | S | C16 | C12 | 0.0° | 0.0° |
| C11 | S | C16 | C15 | 179.9° | 180.0° |
| C1 | C2 | C3 | H9 | 180.0° | 179.6° |
| C2 | C1 | C | H10 | 180.0° | 179.7° |
| C1 | C2 | C3 | O | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C2 | C1 | C | C5 | 0.0° | 0.6° |
| C2 | C1 | C | H11 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 0.0° | 0.4° |
| C2 | C3 | O | C4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C2 | C3 | C4 | H1 | 180.0° | 179.8° |
| C3 | C2 | C1 | H10 | 180.0° | 179.9° |
| C1 | C | C5 | H11 | 180.0° | 179.4° |
| C1 | C | C5 | C4 | 0.1° | 0.6° |
| C1 | C | C5 | H2 | 179.9° | 179.4° |
| C | C1 | C2 | H9 | 180.0° | 180.0° |
| O | C3 | C4 | C5 | 180.0° | 180.0° |
| O | C3 | C4 | H1 | 0.0° | 0.3° |
| O | C3 | C2 | H9 | 0.0° | 0.4° |
| C3 | C4 | C5 | C | 0.0° | 0.3° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C4 | C3 | C2 | H9 | 180.0° | 179.7° |
| C | C5 | C4 | H2 | 180.0° | 180.0° |
| C | C5 | C4 | H1 | 179.9° | 180.0° |
| C5 | C | C1 | H10 | 179.9° | 179.7° |
| C4 | C5 | C | H11 | 180.0° | 180.0° |
| C12 | C13 | C14 | H6 | 180.0° | 180.0° |
| C13 | C12 | C16 | S | 180.0° | 180.0° |
| C13 | C12 | C16 | C15 | 0.0° | 0.0° |
| C12 | C13 | C14 | N2 | 0.0° | 0.1° |
| C12 | C13 | C14 | H7 | 180.0° | 180.0° |
| C16 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C16 | S | C15 | 179.9° | 180.0° |
| C12 | C16 | C15 | N2 | 0.1° | 0.1° |
| C16 | C12 | C13 | H6 | 180.0° | 180.0° |
| C12 | C16 | C15 | H8 | 179.9° | 180.0° |
| C13 | C14 | N2 | H7 | 180.0° | 179.9° |
| C13 | C14 | N2 | C15 | 0.0° | 0.2° |
| S | C16 | C15 | N2 | 180.0° | 179.9° |
| S | C16 | C15 | H8 | 0.0° | 0.0° |
| C16 | C15 | N2 | C14 | 0.1° | 0.1° |
| C16 | C15 | N2 | H8 | 180.0° | 179.9° |
| N2 | C14 | C13 | H6 | 180.0° | 180.0° |
| C14 | N2 | C15 | H8 | 179.9° | 180.0° |
| C15 | N2 | C14 | H7 | 179.9° | 180.0° |
| H1 | C4 | C5 | H2 | 0.1° | 0.0° |
| H2 | C5 | C | H11 | 0.0° | 0.0° |
| H3 | C8 | C9 | H4 | 0.0° | 0.2° |
| H4 | C9 | C10 | H5 | 0.1° | 0.3° |
| H6 | C13 | C14 | H7 | 0.0° | 0.1° |
| H9 | C2 | C1 | H10 | 0.0° | 0.4° |
| H10 | C1 | C | H11 | 0.0° | 0.3° |
