O9L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.38Å | Aromatic |
| N | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.48Å | 1.46Å | |
| C4 | N1 | doub | 1.31Å | 1.30Å | Aromatic |
| C4 | O | sing | 1.35Å | 1.36Å | Aromatic |
| N1 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| O | C16 | sing | 1.35Å | 1.38Å | Aromatic |
| C5 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.41Å | 1.42Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.37Å | Aromatic |
| C15 | N4 | doub | 1.34Å | 1.35Å | Aromatic |
| C15 | C8 | sing | 1.42Å | 1.41Å | Aromatic |
| N4 | C10 | sing | 1.32Å | 1.33Å | Aromatic |
| C7 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| C8 | N2 | doub | 1.34Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | N3 | sing | 1.46Å | 1.47Å | |
| C10 | N3 | sing | 1.39Å | 1.38Å | |
| C10 | C9 | doub | 1.40Å | 1.43Å | Aromatic |
| C12 | S | sing | 1.82Å | 1.81Å | |
| N3 | C14 | sing | 1.46Å | 1.46Å | |
| N2 | C9 | sing | 1.31Å | 1.32Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| S | C13 | sing | 1.82Å | 1.80Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C1 | C | 123.3° | 121.1° |
| C1 | N | C2 | 117.1° | 121.9° |
| N | C1 | H5 | 118.4° | 119.4° |
| C1 | C | C17 | 118.4° | 119.3° |
| C1 | C | H4 | 120.8° | 120.3° |
| C | C1 | H5 | 118.4° | 119.5° |
| N | C2 | C3 | 123.7° | 120.6° |
| N | C2 | H1 | 118.2° | 119.8° |
| C | C17 | C3 | 119.9° | 118.3° |
| C | C17 | H3 | 120.1° | 120.9° |
| C17 | C | H4 | 120.8° | 120.4° |
| C2 | C3 | C17 | 117.6° | 118.8° |
| C2 | C3 | C4 | 121.2° | 120.6° |
| C3 | C2 | H1 | 118.2° | 119.7° |
| C17 | C3 | C4 | 121.2° | 120.6° |
| C3 | C17 | H3 | 120.1° | 120.8° |
| C3 | C4 | N1 | 127.9° | 125.1° |
| C3 | C4 | O | 116.9° | 125.1° |
| N1 | C4 | O | 115.2° | 109.8° |
| C4 | N1 | C5 | 104.3° | 108.8° |
| C4 | O | C16 | 103.7° | 108.0° |
| N1 | C5 | C16 | 108.8° | 106.7° |
| N1 | C5 | C6 | 130.6° | 133.1° |
| O | C16 | C5 | 107.8° | 106.6° |
| O | C16 | C15 | 131.8° | 133.7° |
| C16 | C5 | C6 | 120.5° | 120.2° |
| C5 | C16 | C15 | 120.3° | 119.6° |
| C5 | C6 | C7 | 120.2° | 120.8° |
| C5 | C6 | H2 | 119.9° | 119.6° |
| C16 | C15 | N4 | 120.4° | 121.0° |
| C16 | C15 | C8 | 118.8° | 119.2° |
| C6 | C7 | C8 | 120.7° | 120.5° |
| C7 | C6 | H2 | 119.9° | 119.6° |
| C6 | C7 | H6 | 119.7° | 119.7° |
| N4 | C15 | C8 | 120.7° | 119.7° |
| C15 | N4 | C10 | 117.9° | 119.7° |
| C15 | C8 | C7 | 119.5° | 119.8° |
| C15 | C8 | N2 | 121.6° | 119.6° |
| N4 | C10 | N3 | 117.1° | 119.8° |
| N4 | C10 | C9 | 120.9° | 120.4° |
| C7 | C8 | N2 | 118.9° | 120.7° |
| C8 | C7 | H6 | 119.7° | 119.8° |
| C8 | N2 | C9 | 116.9° | 120.0° |
| C12 | C11 | N3 | 111.3° | 109.9° |
| C11 | C12 | S | 112.4° | 108.5° |
| C11 | C12 | H12 | 108.7° | 109.6° |
| C11 | C12 | H13 | 108.7° | 109.8° |
| C12 | C11 | H14 | 109.0° | 109.4° |
| C12 | C11 | H15 | 109.0° | 109.4° |
| C11 | N3 | C10 | 122.3° | 111.0° |
| C11 | N3 | C14 | 112.2° | 112.5° |
| N3 | C11 | H14 | 109.0° | 109.4° |
| N3 | C11 | H15 | 109.0° | 109.4° |
| N3 | C10 | C9 | 122.0° | 119.8° |
| C10 | N3 | C14 | 121.8° | 111.0° |
| C10 | C9 | N2 | 122.1° | 120.6° |
| C10 | C9 | H7 | 119.0° | 119.7° |
| C12 | S | C13 | 97.6° | 101.9° |
| S | C12 | H12 | 108.7° | 109.6° |
| S | C12 | H13 | 108.7° | 109.6° |
| N3 | C14 | C13 | 111.4° | 109.9° |
| N3 | C14 | H8 | 109.0° | 109.4° |
| N3 | C14 | H9 | 109.0° | 109.4° |
| N2 | C9 | H7 | 119.0° | 119.7° |
| C14 | C13 | S | 112.2° | 108.5° |
| C13 | C14 | H8 | 109.0° | 109.4° |
| C13 | C14 | H9 | 109.0° | 109.4° |
| C14 | C13 | H10 | 108.8° | 109.7° |
| C14 | C13 | H11 | 108.8° | 109.7° |
| S | C13 | H10 | 108.8° | 109.6° |
| S | C13 | H11 | 108.8° | 109.8° |
| H8 | C14 | H9 | 109.5° | 109.3° |
| H10 | C13 | H11 | 109.4° | 109.6° |
| H12 | C12 | H13 | 109.5° | 109.7° |
| H14 | C11 | H15 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C1 | C | H5 | 180.0° | 180.0° |
| N | C1 | C | C17 | 0.2° | 0.3° |
| C1 | N | C2 | C3 | 0.5° | 0.0° |
| C1 | N | C2 | H1 | 179.5° | 179.7° |
| N | C1 | C | H4 | 179.8° | 179.7° |
| C | C1 | N | C2 | 0.9° | 0.0° |
| C1 | C | C17 | H4 | 180.0° | 179.5° |
| C1 | C | C17 | C3 | 0.9° | 0.5° |
| C1 | C | C17 | H3 | 179.1° | 180.0° |
| N | C2 | C3 | H1 | 180.0° | 179.7° |
| N | C2 | C3 | C17 | 0.5° | 0.3° |
| N | C2 | C3 | C4 | 178.2° | 179.7° |
| C2 | N | C1 | H5 | 179.1° | 180.0° |
| C | C17 | C3 | C2 | 1.2° | 0.6° |
| C | C17 | C3 | H3 | 180.0° | 179.4° |
| C | C17 | C3 | C4 | 178.9° | 179.4° |
| C17 | C | C1 | H5 | 179.8° | 179.7° |
| C2 | C3 | C17 | C4 | 177.8° | 180.0° |
| C2 | C3 | C4 | N1 | 4.5° | 180.0° |
| C2 | C3 | C4 | O | 175.3° | 0.0° |
| C2 | C3 | C17 | H3 | 178.8° | 180.0° |
| C17 | C3 | C4 | N1 | 177.8° | 0.0° |
| C17 | C3 | C4 | O | 2.4° | 180.0° |
| C17 | C3 | C2 | H1 | 179.5° | 180.0° |
| C3 | C17 | C | H4 | 179.1° | 180.0° |
| C3 | C4 | N1 | O | 179.8° | 180.0° |
| C3 | C4 | N1 | C5 | 179.2° | 180.0° |
| C3 | C4 | O | C16 | 178.2° | 180.0° |
| C4 | C3 | C2 | H1 | 1.7° | 0.0° |
| C4 | C3 | C17 | H3 | 1.1° | 0.0° |
| N1 | C4 | O | C16 | 1.9° | 0.0° |
| C4 | N1 | C5 | C16 | 0.4° | 0.0° |
| C4 | N1 | C5 | C6 | 177.8° | 180.0° |
| O | C4 | N1 | C5 | 1.0° | 0.0° |
| C4 | O | C16 | C5 | 2.0° | 0.0° |
| C4 | O | C16 | C15 | 176.8° | 180.0° |
| N1 | C5 | C16 | O | 1.6° | 0.0° |
| N1 | C5 | C16 | C6 | 177.7° | 180.0° |
| N1 | C5 | C16 | C15 | 177.4° | 180.0° |
| N1 | C5 | C6 | C7 | 177.4° | 179.9° |
| N1 | C5 | C6 | H2 | 2.6° | 0.0° |
| O | C16 | C5 | C15 | 179.0° | 180.0° |
| O | C16 | C5 | C6 | 179.3° | 180.0° |
| O | C16 | C15 | N4 | 1.0° | 0.0° |
| O | C16 | C15 | C8 | 179.9° | 179.9° |
| C16 | C5 | C6 | C7 | 0.3° | 0.1° |
| C5 | C16 | C15 | N4 | 179.8° | 180.0° |
| C5 | C16 | C15 | C8 | 1.3° | 0.1° |
| C16 | C5 | C6 | H2 | 179.7° | 180.0° |
| C6 | C5 | C16 | C15 | 0.3° | 0.0° |
| C5 | C6 | C7 | H2 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.3° | 0.1° |
| C5 | C6 | C7 | H6 | 179.7° | 180.0° |
| C16 | C15 | N4 | C8 | 178.9° | 180.0° |
| C16 | C15 | N4 | C10 | 177.4° | 180.0° |
| C16 | C15 | C8 | C7 | 1.9° | 0.0° |
| C16 | C15 | C8 | N2 | 177.2° | 180.0° |
| C6 | C7 | C8 | C15 | 1.3° | 0.1° |
| C6 | C7 | C8 | H6 | 180.0° | 179.9° |
| C6 | C7 | C8 | N2 | 177.8° | 179.9° |
| N4 | C15 | C8 | C7 | 179.3° | 180.0° |
| N4 | C15 | C8 | N2 | 1.7° | 0.0° |
| C15 | N4 | C10 | N3 | 177.7° | 180.0° |
| C15 | N4 | C10 | C9 | 0.4° | 0.0° |
| C8 | C15 | N4 | C10 | 1.4° | 0.0° |
| C15 | C8 | C7 | N2 | 179.1° | 180.0° |
| C15 | C8 | N2 | C9 | 0.7° | 0.0° |
| C15 | C8 | C7 | H6 | 178.6° | 180.0° |
| N4 | C10 | N3 | C11 | 17.3° | 62.9° |
| N4 | C10 | N3 | C9 | 178.0° | 180.0° |
| N4 | C10 | N3 | C14 | 173.8° | 63.0° |
| N4 | C10 | C9 | N2 | 0.6° | 0.0° |
| N4 | C10 | C9 | H7 | 179.4° | 180.0° |
| C7 | C8 | N2 | C9 | 179.8° | 180.0° |
| C8 | C7 | C6 | H2 | 179.7° | 180.0° |
| C8 | N2 | C9 | C10 | 0.4° | 0.0° |
| N2 | C8 | C7 | H6 | 2.3° | 0.0° |
| C8 | N2 | C9 | H7 | 179.5° | 180.0° |
| C12 | C11 | N3 | H14 | 120.3° | 120.2° |
| C12 | C11 | N3 | H15 | 120.3° | 120.1° |
| C12 | C11 | N3 | C10 | 93.0° | 162.2° |
| C11 | C12 | S | H12 | 120.4° | 119.7° |
| C11 | C12 | S | H13 | 120.5° | 119.9° |
| C12 | C11 | N3 | C14 | 65.5° | 72.7° |
| C11 | C12 | S | C13 | 51.1° | 51.3° |
| C11 | C12 | H12 | H13 | 118.7° | 120.6° |
| C12 | C11 | H14 | H15 | 119.2° | 119.8° |
| C11 | N3 | C10 | C14 | 156.5° | 125.9° |
| C11 | N3 | C10 | C9 | 164.6° | 117.0° |
| N3 | C11 | C12 | S | 60.9° | 62.1° |
| C11 | N3 | C14 | C13 | 66.9° | 72.7° |
| C11 | N3 | C14 | H8 | 53.4° | 167.2° |
| C11 | N3 | C14 | H9 | 172.8° | 47.5° |
| N3 | C11 | C12 | H12 | 59.5° | 57.6° |
| N3 | C11 | C12 | H13 | 178.6° | 178.2° |
| N3 | C11 | H14 | H15 | 119.1° | 119.8° |
| N3 | C10 | C9 | N2 | 178.6° | 180.0° |
| C10 | N3 | C14 | C13 | 91.8° | 162.2° |
| N3 | C10 | C9 | H7 | 1.4° | 0.0° |
| C10 | N3 | C14 | H8 | 148.0° | 42.1° |
| C10 | N3 | C14 | H9 | 28.5° | 77.6° |
| C10 | N3 | C11 | H14 | 146.7° | 77.6° |
| C10 | N3 | C11 | H15 | 27.3° | 42.1° |
| C9 | C10 | N3 | C14 | 8.1° | 117.1° |
| C10 | C9 | N2 | H7 | 180.0° | 180.0° |
| C12 | S | C13 | C14 | 52.1° | 51.3° |
| C12 | S | C13 | H10 | 172.6° | 68.4° |
| C12 | S | C13 | H11 | 68.3° | 171.1° |
| S | C12 | H12 | H13 | 118.6° | 120.4° |
| S | C12 | C11 | H14 | 59.4° | 58.1° |
| S | C12 | C11 | H15 | 178.8° | 177.8° |
| N3 | C14 | C13 | H8 | 120.3° | 120.1° |
| N3 | C14 | C13 | H9 | 120.3° | 120.2° |
| N3 | C14 | C13 | S | 63.3° | 62.0° |
| N3 | C14 | H8 | H9 | 119.1° | 119.8° |
| N3 | C14 | C13 | H10 | 176.3° | 57.7° |
| N3 | C14 | C13 | H11 | 57.1° | 178.1° |
| C14 | N3 | C11 | H14 | 54.7° | 47.4° |
| C14 | N3 | C11 | H15 | 174.2° | 167.2° |
| C14 | C13 | S | H10 | 120.4° | 119.7° |
| C14 | C13 | S | H11 | 120.4° | 119.8° |
| C13 | C14 | H8 | H9 | 119.1° | 119.8° |
| C14 | C13 | H10 | H11 | 118.7° | 120.4° |
| S | C13 | C14 | H8 | 57.0° | 177.8° |
| S | C13 | C14 | H9 | 176.5° | 58.1° |
| S | C13 | H10 | H11 | 118.7° | 120.6° |
| C13 | S | C12 | H12 | 69.3° | 68.3° |
| C13 | S | C12 | H13 | 171.6° | 171.2° |
| H2 | C6 | C7 | H6 | 0.3° | 0.1° |
| H3 | C17 | C | H4 | 0.9° | 0.5° |
| H4 | C | C1 | H5 | 0.2° | 0.2° |
| H8 | C14 | C13 | H10 | 63.4° | 62.5° |
| H8 | C14 | C13 | H11 | 177.4° | 58.0° |
| H9 | C14 | C13 | H10 | 56.0° | 177.8° |
| H9 | C14 | C13 | H11 | 63.1° | 61.7° |
| H12 | C12 | C11 | H14 | 179.8° | 177.8° |
| H12 | C12 | C11 | H15 | 60.7° | 62.5° |
| H13 | C12 | C11 | H14 | 61.1° | 61.6° |
| H13 | C12 | C11 | H15 | 58.4° | 58.1° |
