OO6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C13 | doub | 1.31Å | 1.33Å | Aromatic |
| N1 | C12 | sing | 1.33Å | 1.34Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.42Å | Aromatic |
| C14 | C19 | sing | 1.42Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.36Å | 1.37Å | Aromatic |
| C11 | C19 | sing | 1.41Å | 1.43Å | Aromatic |
| C11 | N | sing | 1.40Å | 1.40Å | |
| CL | C6 | sing | 1.74Å | 1.74Å | |
| C19 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| N | C10 | sing | 1.35Å | 1.35Å | |
| O1 | C10 | doub | 1.21Å | 1.23Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C18 | C17 | sing | 1.36Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C1 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | O | sing | 1.36Å | 1.37Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | O | sing | 1.43Å | 1.43Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N1 | C12 | 117.5° | 122.8° |
| N1 | C13 | C14 | 124.3° | 120.2° |
| N1 | C13 | H4 | 117.9° | 119.9° |
| N1 | C12 | C11 | 125.0° | 121.6° |
| N1 | C12 | H17 | 117.5° | 119.2° |
| C13 | C14 | C15 | 123.2° | 122.0° |
| C13 | C14 | C19 | 117.7° | 118.7° |
| C14 | C13 | H4 | 117.9° | 119.9° |
| C12 | C11 | C19 | 117.5° | 118.4° |
| C12 | C11 | N | 123.4° | 120.8° |
| C11 | C12 | H17 | 117.5° | 119.2° |
| C15 | C14 | C19 | 119.1° | 119.3° |
| C14 | C15 | C16 | 120.6° | 119.5° |
| C14 | C15 | H5 | 119.7° | 120.3° |
| C14 | C19 | C11 | 118.0° | 118.2° |
| C14 | C19 | C18 | 118.2° | 119.6° |
| C15 | C16 | C17 | 120.7° | 121.1° |
| C16 | C15 | H5 | 119.7° | 120.2° |
| C15 | C16 | H16 | 119.7° | 119.5° |
| C19 | C11 | N | 118.4° | 120.8° |
| C11 | C19 | C18 | 123.8° | 122.2° |
| C11 | N | C10 | 127.5° | 120.0° |
| C11 | N | H14 | 116.3° | 119.9° |
| CL | C6 | C7 | 119.0° | 120.0° |
| CL | C6 | C5 | 119.3° | 120.0° |
| C19 | C18 | C17 | 121.0° | 119.5° |
| C19 | C18 | H15 | 119.5° | 120.3° |
| C16 | C17 | C18 | 120.6° | 121.0° |
| C16 | C17 | H6 | 119.7° | 119.5° |
| C17 | C16 | H16 | 119.7° | 119.5° |
| N | C10 | O1 | 123.6° | 120.1° |
| N | C10 | C9 | 115.0° | 120.0° |
| C10 | N | H14 | 116.3° | 120.1° |
| O1 | C10 | C9 | 121.5° | 120.0° |
| C7 | C6 | C5 | 121.6° | 120.0° |
| C6 | C7 | C8 | 119.8° | 120.3° |
| C6 | C7 | H3 | 120.1° | 119.8° |
| C6 | C5 | C4 | 119.3° | 119.9° |
| C6 | C5 | H2 | 120.4° | 120.0° |
| C10 | C9 | C8 | 110.3° | 109.5° |
| C10 | C9 | C1 | 112.9° | 109.4° |
| C10 | C9 | H7 | 107.5° | 109.5° |
| C18 | C17 | H6 | 119.7° | 119.6° |
| C17 | C18 | H15 | 119.5° | 120.2° |
| C7 | C8 | C9 | 121.5° | 118.7° |
| C7 | C8 | C3 | 118.2° | 119.9° |
| C8 | C7 | H3 | 120.1° | 119.9° |
| C5 | C4 | C3 | 119.8° | 120.3° |
| C5 | C4 | H1 | 120.1° | 119.9° |
| C4 | C5 | H2 | 120.4° | 120.1° |
| C9 | C8 | C3 | 120.3° | 121.4° |
| C8 | C9 | C1 | 110.9° | 109.6° |
| C8 | C9 | H7 | 107.7° | 109.4° |
| C8 | C3 | C4 | 121.3° | 119.7° |
| C8 | C3 | O | 122.8° | 121.8° |
| C9 | C1 | C | 112.1° | 109.7° |
| C9 | C1 | C2 | 109.1° | 108.4° |
| C1 | C9 | H7 | 107.3° | 109.4° |
| C9 | C1 | H10 | 108.1° | 109.7° |
| C4 | C3 | O | 115.8° | 118.5° |
| C3 | C4 | H1 | 120.1° | 119.8° |
| C3 | O | C2 | 117.5° | 117.8° |
| C | C1 | C2 | 110.6° | 109.8° |
| C | C1 | H10 | 108.4° | 109.7° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.4° | 109.5° |
| C1 | C | H13 | 109.5° | 109.4° |
| C1 | C2 | O | 111.6° | 108.4° |
| C1 | C2 | H8 | 108.9° | 109.6° |
| C1 | C2 | H9 | 108.9° | 109.8° |
| C2 | C1 | H10 | 108.5° | 109.6° |
| O | C2 | H8 | 108.9° | 109.6° |
| O | C2 | H9 | 109.0° | 109.7° |
| H8 | C2 | H9 | 109.5° | 109.6° |
| H11 | C | H12 | 109.5° | 109.5° |
| H11 | C | H13 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C13 | C14 | H4 | 180.0° | 180.0° |
| C13 | N1 | C12 | C11 | 0.0° | 0.0° |
| N1 | C13 | C14 | C15 | 177.5° | 180.0° |
| N1 | C13 | C14 | C19 | 0.9° | 0.0° |
| C13 | N1 | C12 | H17 | 180.0° | 180.0° |
| C12 | N1 | C13 | C14 | 0.2° | 0.0° |
| N1 | C12 | C11 | H17 | 180.0° | 180.0° |
| N1 | C12 | C11 | C19 | 1.3° | 0.0° |
| N1 | C12 | C11 | N | 169.5° | 180.0° |
| C12 | N1 | C13 | H4 | 179.8° | 180.0° |
| C13 | C14 | C15 | C19 | 178.3° | 179.9° |
| C13 | C14 | C15 | C16 | 179.8° | 180.0° |
| C13 | C14 | C19 | C11 | 2.2° | 0.0° |
| C13 | C14 | C19 | C18 | 179.7° | 180.0° |
| C13 | C14 | C15 | H5 | 0.3° | 0.1° |
| C12 | C11 | C19 | C14 | 2.4° | 0.0° |
| C12 | C11 | C19 | N | 171.3° | 180.0° |
| C12 | C11 | C19 | C18 | 179.6° | 180.0° |
| C12 | C11 | N | C10 | 80.8° | 34.5° |
| C12 | C11 | N | H14 | 99.2° | 145.4° |
| C14 | C15 | C16 | H5 | 180.0° | 179.9° |
| C15 | C14 | C19 | C11 | 176.3° | 180.0° |
| C15 | C14 | C19 | C18 | 1.9° | 0.1° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C15 | C14 | C13 | H4 | 2.5° | 0.0° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C19 | C14 | C15 | C16 | 1.4° | 0.1° |
| C14 | C19 | C11 | C18 | 178.0° | 180.0° |
| C14 | C19 | C11 | N | 169.0° | 180.0° |
| C14 | C19 | C18 | C17 | 1.0° | 0.0° |
| C19 | C14 | C13 | H4 | 179.1° | 180.0° |
| C19 | C14 | C15 | H5 | 178.6° | 180.0° |
| C14 | C19 | C18 | H15 | 179.0° | 179.9° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.8° | 0.1° |
| C15 | C16 | C17 | H6 | 179.1° | 180.0° |
| C19 | C11 | N | C10 | 90.0° | 145.5° |
| C11 | C19 | C18 | C17 | 177.0° | 180.0° |
| C19 | C11 | N | H14 | 90.0° | 34.5° |
| C11 | C19 | C18 | H15 | 3.0° | 0.0° |
| C19 | C11 | C12 | H17 | 178.7° | 180.0° |
| N | C11 | C19 | C18 | 9.0° | 0.0° |
| C11 | N | C10 | H14 | 180.0° | 179.9° |
| C11 | N | C10 | O1 | 7.8° | 4.3° |
| C11 | N | C10 | C9 | 172.6° | 175.6° |
| N | C11 | C12 | H17 | 10.5° | 0.0° |
| CL | C6 | C7 | C5 | 176.3° | 179.9° |
| CL | C6 | C7 | C8 | 175.0° | 180.0° |
| CL | C6 | C5 | C4 | 175.9° | 179.9° |
| CL | C6 | C5 | H2 | 4.1° | 0.1° |
| CL | C6 | C7 | H3 | 5.0° | 0.0° |
| C19 | C18 | C17 | C16 | 0.4° | 0.1° |
| C19 | C18 | C17 | H15 | 180.0° | 179.9° |
| C19 | C18 | C17 | H6 | 179.6° | 180.0° |
| C16 | C17 | C18 | H6 | 180.0° | 179.9° |
| C17 | C16 | C15 | H5 | 179.9° | 179.9° |
| C16 | C17 | C18 | H15 | 179.6° | 180.0° |
| N | C10 | O1 | C9 | 179.5° | 179.9° |
| N | C10 | C9 | C8 | 128.4° | 145.0° |
| N | C10 | C9 | C1 | 107.0° | 94.9° |
| N | C10 | C9 | H7 | 11.2° | 25.1° |
| O1 | C10 | C9 | C8 | 51.2° | 35.0° |
| O1 | C10 | C9 | C1 | 73.4° | 85.2° |
| O1 | C10 | C9 | H7 | 168.4° | 154.9° |
| O1 | C10 | N | H14 | 172.2° | 175.6° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.4° | 0.1° |
| C6 | C7 | C8 | C9 | 176.6° | 179.8° |
| C6 | C7 | C8 | C3 | 1.5° | 0.1° |
| C7 | C6 | C5 | H2 | 179.5° | 179.8° |
| C5 | C6 | C7 | C8 | 1.4° | 0.1° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.4° | 0.0° |
| C6 | C5 | C4 | H1 | 179.7° | 179.8° |
| C5 | C6 | C7 | H3 | 178.7° | 179.9° |
| C10 | C9 | C8 | C7 | 71.6° | 77.8° |
| C10 | C9 | C8 | C1 | 125.8° | 120.1° |
| C10 | C9 | C8 | H7 | 117.1° | 119.9° |
| C10 | C9 | C8 | C3 | 106.5° | 102.1° |
| C10 | C9 | C1 | H7 | 118.3° | 119.9° |
| C10 | C9 | C1 | C | 44.7° | 47.9° |
| C10 | C9 | C1 | C2 | 78.1° | 71.9° |
| C10 | C9 | C1 | H10 | 164.0° | 168.4° |
| C9 | C10 | N | H14 | 7.4° | 4.5° |
| C18 | C17 | C16 | H16 | 179.2° | 179.9° |
| C7 | C8 | C9 | C3 | 178.1° | 179.8° |
| C7 | C8 | C9 | C1 | 162.6° | 162.2° |
| C7 | C8 | C3 | C4 | 0.8° | 0.2° |
| C7 | C8 | C3 | O | 179.0° | 179.2° |
| C7 | C8 | C9 | H7 | 45.5° | 42.2° |
| C5 | C4 | C3 | C8 | 0.2° | 0.1° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | O | 180.0° | 179.2° |
| C8 | C9 | C1 | H7 | 117.4° | 120.0° |
| C9 | C8 | C3 | C4 | 177.4° | 179.6° |
| C9 | C8 | C3 | O | 2.9° | 1.0° |
| C8 | C9 | C1 | C | 169.0° | 168.0° |
| C8 | C9 | C1 | C2 | 46.2° | 48.1° |
| C9 | C8 | C7 | H3 | 3.4° | 0.2° |
| C8 | C9 | C1 | H10 | 71.6° | 71.5° |
| C3 | C8 | C9 | C1 | 19.3° | 18.0° |
| C8 | C3 | C4 | O | 179.8° | 179.4° |
| C8 | C3 | O | C2 | 15.7° | 17.6° |
| C8 | C3 | C4 | H1 | 179.9° | 179.9° |
| C3 | C8 | C7 | H3 | 178.5° | 179.9° |
| C3 | C8 | C9 | H7 | 136.4° | 138.0° |
| C9 | C1 | C | C2 | 122.0° | 119.0° |
| C9 | C1 | C | H10 | 119.2° | 120.5° |
| C9 | C1 | C2 | H10 | 117.6° | 119.7° |
| C9 | C1 | C2 | O | 60.1° | 64.6° |
| C9 | C1 | C2 | H8 | 60.2° | 175.7° |
| C9 | C1 | C2 | H9 | 179.5° | 55.2° |
| C9 | C1 | C | H11 | 180.0° | 64.7° |
| C9 | C1 | C | H12 | 60.0° | 175.2° |
| C9 | C1 | C | H13 | 60.0° | 55.2° |
| C4 | C3 | O | C2 | 164.5° | 163.0° |
| C3 | C4 | C5 | H2 | 179.7° | 180.0° |
| C3 | O | C2 | C1 | 45.0° | 49.3° |
| O | C3 | C4 | H1 | 0.1° | 0.6° |
| C3 | O | C2 | H8 | 75.3° | 168.9° |
| C3 | O | C2 | H9 | 165.3° | 70.6° |
| C | C1 | C2 | H10 | 118.7° | 120.5° |
| C | C1 | C2 | O | 176.2° | 175.6° |
| C | C1 | C9 | H7 | 73.6° | 72.0° |
| C | C1 | C2 | H8 | 63.5° | 56.0° |
| C | C1 | C2 | H9 | 55.8° | 64.5° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H13 | 120.0° | 119.9° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | O | H8 | 120.3° | 119.7° |
| C1 | C2 | O | H9 | 120.3° | 119.9° |
| C2 | C1 | C9 | H7 | 163.6° | 168.1° |
| C1 | C2 | H8 | H9 | 119.0° | 120.6° |
| C2 | C1 | C | H11 | 58.0° | 176.2° |
| C2 | C1 | C | H12 | 62.0° | 56.2° |
| C2 | C1 | C | H13 | 178.0° | 63.8° |
| O | C2 | H8 | H9 | 119.0° | 120.5° |
| O | C2 | C1 | H10 | 57.4° | 55.1° |
| H1 | C4 | C5 | H2 | 0.3° | 0.2° |
| H5 | C15 | C16 | H16 | 0.1° | 0.1° |
| H6 | C17 | C18 | H15 | 0.4° | 0.1° |
| H6 | C17 | C16 | H16 | 0.8° | 0.0° |
| H7 | C9 | C1 | H10 | 45.7° | 48.5° |
| H8 | C2 | C1 | H10 | 177.8° | 64.6° |
| H9 | C2 | C1 | H10 | 62.9° | 175.0° |
| H10 | C1 | C | H11 | 60.9° | 55.8° |
| H10 | C1 | C | H12 | 179.2° | 64.3° |
| H10 | C1 | C | H13 | 59.2° | 175.7° |
| H11 | C | H12 | H13 | 120.0° | 120.0° |
