OJ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C | sing | 1.74Å | 1.75Å | |
| C | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N | sing | 1.37Å | 1.36Å | Aromatic |
| C6 | C5 | doub | 1.36Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| N | C7 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.49Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C14 | sing | 1.47Å | 1.46Å | Aromatic |
| C7 | C14 | doub | 1.41Å | 1.39Å | Aromatic |
| C7 | N1 | sing | 1.33Å | 1.33Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C13 | N3 | sing | 1.47Å | 1.46Å | |
| N1 | C8 | doub | 1.31Å | 1.34Å | Aromatic |
| C12 | O | sing | 1.43Å | 1.42Å | |
| C9 | N3 | sing | 1.38Å | 1.40Å | |
| C9 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| C8 | N2 | sing | 1.32Å | 1.35Å | Aromatic |
| N3 | C10 | sing | 1.47Å | 1.47Å | |
| O | C11 | sing | 1.43Å | 1.41Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C | C15 | 118.9° | 119.9° |
| CL | C | C1 | 119.3° | 120.0° |
| C15 | C | C1 | 121.7° | 120.1° |
| C | C15 | C4 | 119.5° | 119.8° |
| C | C15 | H3 | 120.2° | 120.1° |
| C | C1 | C2 | 118.7° | 120.3° |
| C | C1 | H5 | 120.6° | 119.9° |
| C15 | C4 | C5 | 119.9° | 120.1° |
| C15 | C4 | C3 | 119.2° | 119.8° |
| C4 | C15 | H3 | 120.3° | 120.1° |
| N | C6 | C5 | 110.6° | 109.6° |
| C6 | N | C7 | 108.5° | 110.3° |
| N | C6 | H2 | 124.7° | 125.2° |
| C6 | N | H6 | 125.8° | 124.9° |
| C6 | C5 | C4 | 124.3° | 126.8° |
| C6 | C5 | C14 | 105.7° | 106.6° |
| C5 | C6 | H2 | 124.7° | 125.2° |
| C1 | C2 | C3 | 120.5° | 120.1° |
| C1 | C2 | H1 | 119.8° | 119.9° |
| C2 | C1 | H5 | 120.7° | 119.8° |
| N | C7 | C14 | 109.0° | 107.4° |
| N | C7 | N1 | 125.3° | 134.1° |
| C7 | N | H6 | 125.7° | 124.9° |
| C5 | C4 | C3 | 120.7° | 120.1° |
| C4 | C5 | C14 | 129.8° | 126.7° |
| C4 | C3 | C2 | 120.4° | 119.9° |
| C4 | C3 | H4 | 119.8° | 120.1° |
| C5 | C14 | C7 | 106.2° | 106.1° |
| C5 | C14 | C9 | 138.6° | 135.1° |
| C14 | C7 | N1 | 125.7° | 118.5° |
| C7 | C14 | C9 | 115.2° | 118.7° |
| C7 | N1 | C8 | 113.0° | 120.7° |
| C3 | C2 | H1 | 119.8° | 119.9° |
| C2 | C3 | H4 | 119.8° | 120.0° |
| C14 | C9 | N3 | 122.3° | 120.8° |
| C14 | C9 | N2 | 121.4° | 118.4° |
| C12 | C13 | N3 | 109.6° | 109.2° |
| C13 | C12 | O | 111.5° | 109.3° |
| C12 | C13 | H8 | 109.4° | 109.5° |
| C12 | C13 | H9 | 109.5° | 109.5° |
| C13 | C12 | H10 | 109.0° | 109.6° |
| C13 | C12 | H11 | 109.0° | 109.5° |
| C13 | N3 | C9 | 119.1° | 111.0° |
| C13 | N3 | C10 | 110.4° | 110.7° |
| N3 | C13 | H8 | 109.4° | 109.5° |
| N3 | C13 | H9 | 109.4° | 109.5° |
| N1 | C8 | N2 | 129.1° | 122.7° |
| N1 | C8 | H7 | 115.4° | 118.7° |
| C12 | O | C11 | 109.6° | 113.7° |
| O | C12 | H10 | 108.9° | 109.5° |
| O | C12 | H11 | 109.0° | 109.5° |
| N3 | C9 | N2 | 116.3° | 120.9° |
| C9 | N3 | C10 | 115.6° | 111.0° |
| C9 | N2 | C8 | 115.6° | 121.0° |
| N2 | C8 | H7 | 115.5° | 118.7° |
| N3 | C10 | C11 | 109.9° | 109.2° |
| N3 | C10 | H14 | 109.4° | 109.5° |
| N3 | C10 | H15 | 109.4° | 109.5° |
| O | C11 | C10 | 111.6° | 109.3° |
| O | C11 | H12 | 108.9° | 109.5° |
| O | C11 | H13 | 108.9° | 109.5° |
| C10 | C11 | H12 | 108.9° | 109.5° |
| C10 | C11 | H13 | 109.0° | 109.5° |
| C11 | C10 | H14 | 109.4° | 109.5° |
| C11 | C10 | H15 | 109.4° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C | C15 | C1 | 176.7° | 179.2° |
| CL | C | C15 | C4 | 174.4° | 180.0° |
| CL | C | C1 | C2 | 174.8° | 179.7° |
| CL | C | C15 | H3 | 5.6° | 0.0° |
| CL | C | C1 | H5 | 5.3° | 0.3° |
| C | C15 | C4 | H3 | 180.0° | 180.0° |
| C15 | C | C1 | C2 | 2.0° | 0.6° |
| C | C15 | C4 | C5 | 174.7° | 179.5° |
| C | C15 | C4 | C3 | 1.3° | 0.5° |
| C15 | C | C1 | H5 | 178.0° | 179.5° |
| C1 | C | C15 | C4 | 2.3° | 0.8° |
| C | C1 | C2 | H5 | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 0.5° | 0.1° |
| C | C1 | C2 | H1 | 179.5° | 179.7° |
| C1 | C | C15 | H3 | 177.7° | 179.2° |
| C15 | C4 | C5 | C6 | 39.5° | 125.2° |
| C15 | C4 | C5 | C3 | 175.9° | 180.0° |
| C15 | C4 | C5 | C14 | 146.8° | 54.8° |
| C15 | C4 | C3 | C2 | 0.1° | 0.0° |
| C15 | C4 | C3 | H4 | 179.9° | 180.0° |
| N | C6 | C5 | H2 | 180.0° | 179.9° |
| C6 | N | C7 | H6 | 180.0° | 180.0° |
| N | C6 | C5 | C4 | 174.2° | 180.0° |
| N | C6 | C5 | C14 | 0.8° | 0.1° |
| C6 | N | C7 | C14 | 1.5° | 0.0° |
| C6 | N | C7 | N1 | 179.0° | 180.0° |
| C5 | C6 | N | C7 | 0.4° | 0.1° |
| C6 | C5 | C4 | C14 | 173.8° | 180.0° |
| C6 | C5 | C4 | C3 | 136.5° | 54.8° |
| C6 | C5 | C14 | C7 | 1.7° | 0.0° |
| C6 | C5 | C14 | C9 | 177.5° | 180.0° |
| C5 | C6 | N | H6 | 179.6° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.2° |
| C1 | C2 | C3 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | H4 | 179.5° | 179.8° |
| N | C7 | C14 | C5 | 2.0° | 0.0° |
| N | C7 | C14 | N1 | 179.4° | 180.0° |
| N | C7 | C14 | C9 | 177.4° | 180.0° |
| N | C7 | N1 | C8 | 176.5° | 180.0° |
| C7 | N | C6 | H2 | 179.6° | 180.0° |
| C4 | C5 | C14 | C7 | 173.0° | 180.0° |
| C5 | C4 | C3 | C2 | 176.1° | 180.0° |
| C4 | C5 | C14 | C9 | 7.9° | 0.0° |
| C4 | C5 | C6 | H2 | 5.8° | 0.0° |
| C5 | C4 | C15 | H3 | 5.3° | 0.5° |
| C5 | C4 | C3 | H4 | 3.9° | 0.0° |
| C3 | C4 | C5 | C14 | 37.3° | 125.2° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | H1 | 179.5° | 180.0° |
| C3 | C4 | C15 | H3 | 178.7° | 179.5° |
| C5 | C14 | C7 | C9 | 179.4° | 180.0° |
| C5 | C14 | C7 | N1 | 178.6° | 180.0° |
| C5 | C14 | C9 | N3 | 4.4° | 0.0° |
| C5 | C14 | C9 | N2 | 178.5° | 180.0° |
| C14 | C5 | C6 | H2 | 179.2° | 180.0° |
| C14 | C7 | N1 | C8 | 2.9° | 0.0° |
| C7 | C14 | C9 | N3 | 176.5° | 180.0° |
| C7 | C14 | C9 | N2 | 0.6° | 0.0° |
| C14 | C7 | N | H6 | 178.5° | 180.0° |
| N1 | C7 | C14 | C9 | 2.0° | 0.0° |
| C7 | N1 | C8 | N2 | 1.3° | 0.0° |
| N1 | C7 | N | H6 | 1.0° | 0.0° |
| C7 | N1 | C8 | H7 | 178.7° | 179.9° |
| C3 | C2 | C1 | H5 | 179.5° | 180.0° |
| C14 | C9 | N3 | C13 | 61.5° | 122.9° |
| C14 | C9 | N3 | N2 | 177.3° | 180.0° |
| C14 | C9 | N2 | C8 | 2.0° | 0.0° |
| C14 | C9 | N3 | C10 | 163.5° | 113.5° |
| C12 | C13 | N3 | H8 | 120.0° | 119.9° |
| C12 | C13 | N3 | H9 | 120.0° | 119.9° |
| C13 | C12 | O | H10 | 120.3° | 120.0° |
| C13 | C12 | O | H11 | 120.3° | 119.9° |
| C12 | C13 | N3 | C9 | 167.8° | 177.6° |
| C12 | C13 | N3 | C10 | 55.0° | 58.6° |
| C13 | C12 | O | C11 | 59.9° | 58.7° |
| C12 | C13 | H8 | H9 | 120.0° | 120.1° |
| C13 | C12 | H10 | H11 | 119.1° | 120.1° |
| N3 | C13 | C12 | O | 57.9° | 56.8° |
| C13 | N3 | C9 | C10 | 135.1° | 123.6° |
| C13 | N3 | C9 | N2 | 121.2° | 57.1° |
| C13 | N3 | C10 | C11 | 55.0° | 58.7° |
| N3 | C13 | H8 | H9 | 119.9° | 120.1° |
| N3 | C13 | C12 | H10 | 62.4° | 63.1° |
| N3 | C13 | C12 | H11 | 178.2° | 176.8° |
| C13 | N3 | C10 | H14 | 65.0° | 61.3° |
| C13 | N3 | C10 | H15 | 175.1° | 178.6° |
| N1 | C8 | N2 | C9 | 1.1° | 0.0° |
| N1 | C8 | N2 | H7 | 180.0° | 180.0° |
| C12 | O | C11 | C10 | 59.9° | 58.7° |
| O | C12 | C13 | H8 | 62.1° | 176.8° |
| O | C12 | C13 | H9 | 177.9° | 63.1° |
| O | C12 | H10 | H11 | 119.1° | 120.1° |
| C12 | O | C11 | H12 | 60.4° | 61.3° |
| C12 | O | C11 | H13 | 179.8° | 178.6° |
| N3 | C9 | N2 | C8 | 175.3° | 180.0° |
| C9 | N3 | C10 | C11 | 166.2° | 177.6° |
| C9 | N3 | C13 | H8 | 72.2° | 57.7° |
| C9 | N3 | C13 | H9 | 47.8° | 62.5° |
| C9 | N3 | C10 | H14 | 73.8° | 62.4° |
| C9 | N3 | C10 | H15 | 46.1° | 57.7° |
| N2 | C9 | N3 | C10 | 13.8° | 66.5° |
| C9 | N2 | C8 | H7 | 178.9° | 180.0° |
| N3 | C10 | C11 | O | 57.8° | 56.9° |
| N3 | C10 | C11 | H14 | 120.0° | 120.0° |
| N3 | C10 | C11 | H15 | 120.1° | 119.9° |
| C10 | N3 | C13 | H8 | 65.0° | 178.6° |
| C10 | N3 | C13 | H9 | 175.1° | 61.3° |
| N3 | C10 | C11 | H12 | 62.5° | 63.1° |
| N3 | C10 | C11 | H13 | 178.1° | 176.9° |
| N3 | C10 | H14 | H15 | 119.8° | 120.1° |
| O | C11 | C10 | H12 | 120.3° | 120.0° |
| O | C11 | C10 | H13 | 120.3° | 120.0° |
| C11 | O | C12 | H10 | 60.4° | 61.3° |
| C11 | O | C12 | H11 | 179.7° | 178.6° |
| O | C11 | H12 | H13 | 119.0° | 120.1° |
| O | C11 | C10 | H14 | 62.3° | 63.1° |
| O | C11 | C10 | H15 | 177.8° | 176.8° |
| C10 | C11 | H12 | H13 | 119.1° | 120.1° |
| C11 | C10 | H14 | H15 | 119.8° | 120.1° |
| H1 | C2 | C3 | H4 | 0.5° | 0.0° |
| H1 | C2 | C1 | H5 | 0.6° | 0.2° |
| H2 | C6 | N | H6 | 0.4° | 0.1° |
| H8 | C13 | C12 | H10 | 177.6° | 56.9° |
| H8 | C13 | C12 | H11 | 58.2° | 63.3° |
| H9 | C13 | C12 | H10 | 57.6° | 177.0° |
| H9 | C13 | C12 | H11 | 61.8° | 56.8° |
| H12 | C11 | C10 | H14 | 177.4° | 177.0° |
| H12 | C11 | C10 | H15 | 57.5° | 56.8° |
| H13 | C11 | C10 | H14 | 58.0° | 56.9° |
| H13 | C11 | C10 | H15 | 61.9° | 63.2° |
