6E9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.43Å | |
| O | C1 | sing | 1.36Å | 1.38Å | |
| C1 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | N | sing | 1.40Å | 1.42Å | |
| O4 | S | doub | 1.42Å | 1.43Å | |
| N | S | sing | 1.66Å | 1.54Å | |
| N | C12 | sing | 1.46Å | 1.46Å | |
| O1 | S | doub | 1.42Å | 1.44Å | |
| S | C4 | sing | 1.76Å | 1.61Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C7 | sing | 1.40Å | 1.49Å | Aromatic |
| C10 | N2 | sing | 1.39Å | 1.35Å | |
| C7 | N1 | sing | 1.39Å | 1.35Å | |
| N2 | C9 | sing | 1.35Å | 1.36Å | |
| N1 | C8 | sing | 1.35Å | 1.35Å | |
| C9 | C8 | sing | 1.49Å | 1.49Å | |
| C9 | O2 | doub | 1.21Å | 1.36Å | |
| C8 | O3 | doub | 1.21Å | 1.36Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 123.2° | 117.0° |
| O | C | H12 | 109.5° | 109.5° |
| O | C | H13 | 109.5° | 109.5° |
| O | C | H14 | 109.5° | 109.5° |
| O | C1 | C15 | 122.3° | 120.0° |
| O | C1 | C2 | 118.2° | 120.0° |
| C15 | C1 | C2 | 119.4° | 120.0° |
| C1 | C15 | C14 | 119.6° | 120.1° |
| C1 | C15 | H11 | 120.2° | 120.0° |
| C1 | C2 | C3 | 121.3° | 119.9° |
| C1 | C2 | H2 | 119.4° | 120.1° |
| C15 | C14 | C13 | 120.6° | 120.1° |
| C15 | C14 | H10 | 119.7° | 119.9° |
| C14 | C15 | H11 | 120.2° | 120.0° |
| C2 | C3 | C13 | 118.5° | 119.9° |
| C2 | C3 | N | 122.1° | 120.1° |
| C3 | C2 | H2 | 119.4° | 120.1° |
| C14 | C13 | C3 | 120.7° | 120.0° |
| C14 | C13 | H9 | 119.7° | 120.0° |
| C13 | C14 | H10 | 119.7° | 119.9° |
| C13 | C3 | N | 119.4° | 120.0° |
| C3 | C13 | H9 | 119.7° | 120.0° |
| C3 | N | S | 122.6° | 120.0° |
| C3 | N | C12 | 119.7° | 120.0° |
| O4 | S | N | 110.9° | 106.4° |
| O4 | S | O1 | 107.7° | 123.1° |
| O4 | S | C4 | 107.9° | 106.4° |
| S | N | C12 | 117.6° | 120.0° |
| N | S | O1 | 111.9° | 106.4° |
| N | S | C4 | 107.5° | 107.2° |
| N | C12 | H6 | 109.5° | 109.5° |
| N | C12 | H7 | 109.4° | 109.5° |
| N | C12 | H8 | 109.5° | 109.5° |
| O1 | S | C4 | 110.9° | 106.4° |
| S | C4 | C5 | 117.4° | 119.9° |
| S | C4 | C11 | 122.5° | 119.8° |
| C5 | C4 | C11 | 120.1° | 120.3° |
| C4 | C5 | C6 | 121.8° | 120.2° |
| C4 | C5 | H3 | 119.1° | 119.9° |
| C4 | C11 | C10 | 119.9° | 120.0° |
| C4 | C11 | H5 | 120.1° | 120.0° |
| C5 | C6 | C7 | 120.3° | 120.1° |
| C6 | C5 | H3 | 119.1° | 119.9° |
| C5 | C6 | H4 | 119.9° | 120.0° |
| C11 | C10 | C7 | 119.3° | 119.8° |
| C11 | C10 | N2 | 122.2° | 119.7° |
| C10 | C11 | H5 | 120.0° | 120.0° |
| C6 | C7 | C10 | 118.6° | 119.7° |
| C6 | C7 | N1 | 120.0° | 119.7° |
| C7 | C6 | H4 | 119.8° | 120.0° |
| C7 | C10 | N2 | 118.5° | 120.5° |
| C10 | C7 | N1 | 121.4° | 120.6° |
| C10 | N2 | C9 | 120.3° | 120.1° |
| C10 | N2 | H15 | 119.8° | 119.9° |
| C7 | N1 | C8 | 119.7° | 120.1° |
| C7 | N1 | H1 | 120.1° | 120.0° |
| N2 | C9 | C8 | 120.6° | 119.3° |
| N2 | C9 | O2 | 121.0° | 120.3° |
| C9 | N2 | H15 | 119.9° | 120.0° |
| N1 | C8 | C9 | 119.4° | 119.3° |
| N1 | C8 | O3 | 120.6° | 120.3° |
| C8 | N1 | H1 | 120.2° | 119.9° |
| C8 | C9 | O2 | 118.4° | 120.3° |
| C9 | C8 | O3 | 120.0° | 120.4° |
| H6 | C12 | H7 | 109.5° | 109.4° |
| H6 | C12 | H8 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.4° |
| H12 | C | H14 | 109.5° | 109.4° |
| H13 | C | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C15 | 2.2° | 0.0° |
| C | O | C1 | C2 | 178.1° | 179.9° |
| O | C | H12 | H13 | 120.0° | 120.0° |
| O | C | H12 | H14 | 120.0° | 120.0° |
| O | C | H13 | H14 | 120.0° | 120.1° |
| O | C1 | C15 | C2 | 179.7° | 180.0° |
| O | C1 | C15 | C14 | 179.7° | 179.5° |
| O | C1 | C2 | C3 | 179.7° | 180.0° |
| O | C1 | C2 | H2 | 0.3° | 0.2° |
| O | C1 | C15 | H11 | 0.3° | 0.3° |
| C1 | O | C | H12 | 180.0° | 60.0° |
| C1 | O | C | H13 | 60.0° | 60.0° |
| C1 | O | C | H14 | 60.0° | 180.0° |
| C1 | C15 | C14 | H11 | 180.0° | 179.1° |
| C15 | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | C15 | C14 | C13 | 0.1° | 0.9° |
| C15 | C1 | C2 | H2 | 180.0° | 179.7° |
| C1 | C15 | C14 | H10 | 179.9° | 179.7° |
| C2 | C1 | C15 | C14 | 0.0° | 0.6° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C1 | C2 | C3 | C13 | 0.1° | 0.2° |
| C1 | C2 | C3 | N | 179.4° | 179.7° |
| C2 | C1 | C15 | H11 | 180.0° | 179.7° |
| C15 | C14 | C13 | H10 | 180.0° | 179.4° |
| C15 | C14 | C13 | C3 | 0.1° | 0.6° |
| C15 | C14 | C13 | H9 | 179.9° | 179.5° |
| C2 | C3 | C13 | C14 | 0.2° | 0.0° |
| C2 | C3 | C13 | N | 179.3° | 180.0° |
| C2 | C3 | N | S | 59.9° | 120.2° |
| C2 | C3 | N | C12 | 123.1° | 59.7° |
| C2 | C3 | C13 | H9 | 179.9° | 180.0° |
| C14 | C13 | C3 | H9 | 180.0° | 180.0° |
| C14 | C13 | C3 | N | 179.5° | 180.0° |
| C13 | C14 | C15 | H11 | 179.9° | 180.0° |
| C13 | C3 | N | S | 119.4° | 59.8° |
| C13 | C3 | N | C12 | 57.5° | 120.3° |
| C13 | C3 | C2 | H2 | 179.9° | 180.0° |
| C3 | C13 | C14 | H10 | 179.9° | 180.0° |
| C3 | N | S | O4 | 24.7° | 17.6° |
| C3 | N | S | C12 | 177.0° | 179.9° |
| C3 | N | S | O1 | 145.0° | 150.5° |
| C3 | N | S | C4 | 93.0° | 96.0° |
| N | C3 | C2 | H2 | 0.6° | 0.0° |
| C3 | N | C12 | H6 | 180.0° | 89.9° |
| C3 | N | C12 | H7 | 60.0° | 30.0° |
| C3 | N | C12 | H8 | 60.0° | 150.1° |
| N | C3 | C13 | H9 | 0.5° | 0.0° |
| O4 | S | N | O1 | 120.3° | 132.9° |
| O4 | S | N | C4 | 117.8° | 113.6° |
| O4 | S | N | C12 | 158.2° | 162.4° |
| O4 | S | O1 | C4 | 117.9° | 123.0° |
| O4 | S | C4 | C5 | 58.8° | 23.5° |
| O4 | S | C4 | C11 | 120.7° | 156.4° |
| N | S | O1 | C4 | 120.0° | 114.1° |
| N | S | C4 | C5 | 60.9° | 90.1° |
| N | S | C4 | C11 | 119.6° | 90.1° |
| S | N | C12 | H6 | 2.9° | 90.0° |
| S | N | C12 | H7 | 117.1° | 150.0° |
| S | N | C12 | H8 | 122.9° | 30.0° |
| C12 | N | S | O1 | 38.0° | 29.4° |
| C12 | N | S | C4 | 84.0° | 84.1° |
| N | C12 | H6 | H7 | 120.0° | 120.0° |
| N | C12 | H6 | H8 | 120.0° | 120.0° |
| N | C12 | H7 | H8 | 120.0° | 120.0° |
| O1 | S | C4 | C5 | 176.5° | 156.4° |
| O1 | S | C4 | C11 | 3.0° | 23.5° |
| S | C4 | C5 | C11 | 179.5° | 179.9° |
| S | C4 | C5 | C6 | 179.5° | 180.0° |
| S | C4 | C11 | C10 | 179.2° | 179.9° |
| S | C4 | C5 | H3 | 0.5° | 0.2° |
| S | C4 | C11 | H5 | 0.8° | 0.1° |
| C4 | C5 | C6 | H3 | 180.0° | 179.8° |
| C5 | C4 | C11 | C10 | 0.3° | 0.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.2° |
| C4 | C5 | C6 | H4 | 179.5° | 179.9° |
| C5 | C4 | C11 | H5 | 179.7° | 180.0° |
| C11 | C4 | C5 | C6 | 0.0° | 0.2° |
| C4 | C11 | C10 | H5 | 180.0° | 180.0° |
| C4 | C11 | C10 | C7 | 0.1° | 0.0° |
| C4 | C11 | C10 | N2 | 179.8° | 179.4° |
| C11 | C4 | C5 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | H4 | 180.0° | 179.8° |
| C5 | C6 | C7 | C10 | 0.6° | 0.2° |
| C5 | C6 | C7 | N1 | 179.9° | 180.0° |
| C11 | C10 | C7 | C6 | 0.4° | 0.1° |
| C11 | C10 | C7 | N2 | 179.9° | 179.4° |
| C11 | C10 | C7 | N1 | 179.6° | 179.9° |
| C11 | C10 | N2 | C9 | 179.7° | 179.7° |
| C11 | C10 | N2 | H15 | 0.3° | 0.5° |
| C6 | C7 | C10 | N1 | 179.3° | 179.9° |
| C6 | C7 | C10 | N2 | 179.7° | 179.5° |
| C6 | C7 | N1 | C8 | 179.9° | 180.0° |
| C6 | C7 | N1 | H1 | 0.1° | 0.2° |
| C7 | C6 | C5 | H3 | 179.5° | 180.0° |
| C7 | C10 | N2 | C9 | 0.2° | 0.8° |
| C10 | C7 | N1 | C8 | 0.8° | 0.1° |
| C10 | C7 | N1 | H1 | 179.2° | 179.7° |
| C10 | C7 | C6 | H4 | 179.4° | 180.0° |
| C7 | C10 | C11 | H5 | 179.9° | 180.0° |
| C7 | C10 | N2 | H15 | 179.8° | 180.0° |
| N2 | C10 | C7 | N1 | 0.5° | 0.6° |
| C10 | N2 | C9 | H15 | 180.0° | 179.2° |
| C10 | N2 | C9 | C8 | 0.5° | 0.5° |
| C10 | N2 | C9 | O2 | 179.8° | 179.5° |
| N2 | C10 | C11 | H5 | 0.2° | 0.6° |
| C7 | N1 | C8 | H1 | 180.0° | 179.8° |
| C7 | N1 | C8 | C9 | 0.5° | 0.2° |
| C7 | N1 | C8 | O3 | 178.9° | 179.8° |
| N1 | C7 | C6 | H4 | 0.1° | 0.1° |
| N2 | C9 | C8 | N1 | 0.1° | 0.0° |
| N2 | C9 | C8 | O2 | 179.8° | 180.0° |
| N2 | C9 | C8 | O3 | 179.6° | 180.0° |
| N1 | C8 | C9 | O3 | 179.4° | 179.9° |
| N1 | C8 | C9 | O2 | 179.9° | 180.0° |
| C9 | C8 | N1 | H1 | 179.5° | 180.0° |
| C8 | C9 | N2 | H15 | 179.5° | 179.7° |
| O2 | C9 | C8 | O3 | 0.7° | 0.0° |
| O2 | C9 | N2 | H15 | 0.2° | 0.3° |
| O3 | C8 | N1 | H1 | 1.1° | 0.1° |
| H3 | C5 | C6 | H4 | 0.5° | 0.1° |
| H6 | C12 | H7 | H8 | 120.0° | 119.9° |
| H9 | C13 | C14 | H10 | 0.1° | 0.0° |
| H10 | C14 | C15 | H11 | 0.1° | 0.6° |
| H12 | C | H13 | H14 | 120.0° | 119.9° |
