CL8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | CL1 | sing | 1.80Å | 1.80Å | |
| C1 | CL2 | sing | 1.78Å | 1.78Å | |
| C1 | C2 | sing | 1.57Å | 1.57Å | |
| C2 | O2 | doub | 1.24Å | 1.24Å | |
| C2 | N2 | sing | 1.26Å | 1.26Å | |
| N2 | C3 | sing | 1.48Å | 1.48Å | |
| C3 | C4 | sing | 1.54Å | 1.54Å | |
| C3 | C5 | sing | 1.49Å | 1.49Å | |
| C4 | O4 | sing | 1.45Å | 1.45Å | |
| C5 | O5 | sing | 1.44Å | 1.44Å | |
| C5 | C6 | sing | 1.42Å | 1.42Å | |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.42Å | 1.42Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | N9 | sing | 1.50Å | 1.50Å | |
| C9 | C10 | doub | 1.36Å | 1.36Å | Aromatic |
| N9 | O9A | sing | 1.23Å | 1.23Å | |
| N9 | O9B | doub | 1.20Å | 1.20Å | |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| O4 | C12 | sing | 1.42Å | 1.42Å | |
| O15 | C15 | doub | 1.21Å | 1.21Å | |
| C15 | O16 | sing | 1.34Å | 1.34Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.50Å | 1.50Å | |
| C12 | O12 | doub | 1.21Å | 1.21Å | |
| C1 | H1 | sing | 1.10Å | 1.10Å | |
| N2 | H2 | sing | 1.00Å | 1.00Å | |
| C3 | H3 | sing | 1.10Å | 1.10Å | |
| C4 | H41C | sing | 1.10Å | 1.10Å | |
| C4 | H42C | sing | 1.10Å | 1.10Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| O5 | HA | sing | 0.95Å | 0.95Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| O16 | H16 | sing | 0.95Å | 0.95Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C1 | CL2 | 112.9° | 112.9° |
| CL1 | C1 | C2 | 105.5° | 105.5° |
| CL1 | C1 | H1 | 110.2° | 110.2° |
| CL2 | C1 | C2 | 110.4° | 110.4° |
| CL2 | C1 | H1 | 105.3° | 105.3° |
| C1 | C2 | O2 | 119.9° | 119.9° |
| C1 | C2 | N2 | 113.5° | 113.5° |
| C2 | C1 | H1 | 112.7° | 112.7° |
| O2 | C2 | N2 | 126.5° | 126.5° |
| C2 | N2 | C3 | 133.8° | 133.8° |
| C2 | N2 | H2 | 113.1° | 113.1° |
| N2 | C3 | C4 | 111.1° | 111.1° |
| N2 | C3 | C5 | 114.2° | 114.2° |
| C3 | N2 | H2 | 113.1° | 113.1° |
| N2 | C3 | H3 | 117.0° | 117.0° |
| C4 | C3 | C5 | 127.0° | 127.0° |
| C3 | C4 | O4 | 116.7° | 116.7° |
| C4 | C3 | H3 | 94.3° | 94.3° |
| C3 | C4 | H41C | 107.1° | 107.1° |
| C3 | C4 | H42C | 105.5° | 105.5° |
| C3 | C5 | O5 | 98.4° | 98.4° |
| C3 | C5 | C6 | 122.6° | 122.6° |
| C5 | C3 | H3 | 88.6° | 88.6° |
| C3 | C5 | H5 | 112.3° | 112.3° |
| C4 | O4 | C12 | 118.9° | 118.9° |
| O4 | C4 | H41C | 107.1° | 107.1° |
| O4 | C4 | H42C | 105.5° | 105.5° |
| O5 | C5 | C6 | 118.2° | 118.2° |
| O5 | C5 | H5 | 117.4° | 117.4° |
| C5 | O5 | HA | 109.5° | 109.5° |
| C5 | C6 | C7 | 121.4° | 121.4° |
| C5 | C6 | C11 | 116.2° | 116.2° |
| C6 | C5 | H5 | 89.3° | 89.3° |
| C7 | C6 | C11 | 122.1° | 122.1° |
| C6 | C7 | C8 | 119.1° | 119.1° |
| C6 | C7 | H7 | 120.4° | 120.4° |
| C6 | C11 | C10 | 119.0° | 119.0° |
| C6 | C11 | H11 | 120.5° | 120.5° |
| C7 | C8 | C9 | 116.5° | 116.5° |
| C8 | C7 | H7 | 120.5° | 120.5° |
| C7 | C8 | H8 | 121.7° | 121.7° |
| C8 | C9 | N9 | 117.6° | 117.6° |
| C8 | C9 | C10 | 123.9° | 123.9° |
| C9 | C8 | H8 | 121.8° | 121.8° |
| N9 | C9 | C10 | 118.5° | 118.5° |
| C9 | N9 | O9A | 115.5° | 115.5° |
| C9 | N9 | O9B | 119.1° | 119.1° |
| C9 | C10 | C11 | 119.2° | 119.2° |
| C9 | C10 | H10 | 120.4° | 120.4° |
| O9A | N9 | O9B | 125.5° | 125.5° |
| C10 | C11 | H11 | 120.5° | 120.5° |
| C11 | C10 | H10 | 120.4° | 120.4° |
| O4 | C12 | C13 | 118.0° | 118.0° |
| O4 | C12 | O12 | 121.8° | 121.8° |
| O15 | C15 | O16 | 120.0° | 120.0° |
| O15 | C15 | C14 | 120.1° | 120.1° |
| O16 | C15 | C14 | 119.9° | 119.9° |
| C15 | O16 | H16 | 109.5° | 109.5° |
| C15 | C14 | C13 | 109.7° | 109.7° |
| C15 | C14 | H141 | 109.4° | 109.4° |
| C15 | C14 | H142 | 109.3° | 109.3° |
| C14 | C13 | C12 | 110.3° | 110.3° |
| C13 | C14 | H141 | 109.4° | 109.4° |
| C13 | C14 | H142 | 109.3° | 109.3° |
| C14 | C13 | H131 | 109.2° | 109.2° |
| C14 | C13 | H132 | 109.0° | 109.0° |
| C13 | C12 | O12 | 120.1° | 120.1° |
| C12 | C13 | H131 | 109.2° | 109.2° |
| C12 | C13 | H132 | 109.0° | 109.0° |
| H41C | C4 | H42C | 115.3° | 115.3° |
| H141 | C14 | H142 | 109.7° | 109.7° |
| H131 | C13 | H132 | 110.2° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C1 | CL2 | C2 | 117.8° | 117.8° |
| CL1 | C1 | CL2 | H1 | 120.2° | 120.2° |
| CL1 | C1 | C2 | H1 | 120.3° | 120.3° |
| CL1 | C1 | C2 | O2 | 36.1° | 36.1° |
| CL1 | C1 | C2 | N2 | 143.2° | 143.2° |
| CL2 | C1 | C2 | H1 | 117.5° | 117.5° |
| CL2 | C1 | C2 | O2 | 86.1° | 86.1° |
| CL2 | C1 | C2 | N2 | 94.5° | 94.5° |
| C1 | C2 | O2 | N2 | 179.2° | 179.2° |
| C1 | C2 | N2 | C3 | 178.7° | 178.7° |
| C1 | C2 | N2 | H2 | 1.3° | 1.3° |
| O2 | C2 | N2 | C3 | 0.5° | 0.5° |
| O2 | C2 | C1 | H1 | 156.4° | 156.4° |
| O2 | C2 | N2 | H2 | 179.4° | 179.5° |
| C2 | N2 | C3 | H2 | 180.0° | 180.0° |
| C2 | N2 | C3 | C4 | 94.2° | 94.2° |
| C2 | N2 | C3 | C5 | 114.0° | 114.0° |
| N2 | C2 | C1 | H1 | 22.9° | 22.9° |
| C2 | N2 | C3 | H3 | 12.5° | 12.5° |
| N2 | C3 | C4 | C5 | 147.4° | 147.4° |
| N2 | C3 | C4 | H3 | 121.1° | 121.1° |
| N2 | C3 | C5 | H3 | 119.1° | 119.1° |
| N2 | C3 | C4 | O4 | 89.1° | 89.1° |
| N2 | C3 | C5 | O5 | 86.6° | 86.6° |
| N2 | C3 | C5 | C6 | 44.8° | 44.8° |
| N2 | C3 | C4 | H41C | 150.9° | 150.9° |
| N2 | C3 | C4 | H42C | 27.5° | 27.5° |
| N2 | C3 | C5 | H5 | 149.1° | 149.1° |
| C4 | C3 | C5 | H3 | 94.4° | 94.4° |
| C3 | C4 | O4 | H41C | 120.0° | 120.0° |
| C3 | C4 | O4 | H42C | 116.7° | 116.7° |
| C4 | C3 | C5 | O5 | 59.9° | 59.9° |
| C4 | C3 | C5 | C6 | 168.7° | 168.7° |
| C3 | C4 | O4 | C12 | 1.5° | 1.5° |
| C4 | C3 | N2 | H2 | 85.8° | 85.8° |
| C3 | C4 | H41C | H42C | 117.0° | 117.0° |
| C4 | C3 | C5 | H5 | 64.4° | 64.4° |
| C5 | C3 | C4 | O4 | 123.5° | 123.5° |
| C3 | C5 | O5 | C6 | 134.2° | 134.2° |
| C3 | C5 | O5 | H5 | 120.6° | 120.6° |
| C3 | C5 | C6 | H5 | 116.3° | 116.3° |
| C3 | C5 | C6 | C7 | 63.7° | 63.7° |
| C3 | C5 | C6 | C11 | 110.0° | 110.0° |
| C5 | C3 | N2 | H2 | 66.0° | 66.0° |
| C5 | C3 | C4 | H41C | 3.5° | 3.5° |
| C5 | C3 | C4 | H42C | 119.8° | 119.8° |
| C3 | C5 | O5 | HA | 29.2° | 29.2° |
| C4 | O4 | C12 | C13 | 115.9° | 115.9° |
| C4 | O4 | C12 | O12 | 62.8° | 62.8° |
| O4 | C4 | C3 | H3 | 32.0° | 32.0° |
| O4 | C4 | H41C | H42C | 117.0° | 117.0° |
| O5 | C5 | C6 | H5 | 121.0° | 121.0° |
| O5 | C5 | C6 | C7 | 173.6° | 173.6° |
| O5 | C5 | C6 | C11 | 12.7° | 12.7° |
| O5 | C5 | C3 | H3 | 154.3° | 154.3° |
| C5 | C6 | C7 | C11 | 173.3° | 173.3° |
| C5 | C6 | C7 | C8 | 177.0° | 177.0° |
| C5 | C6 | C11 | C10 | 176.5° | 176.5° |
| C6 | C5 | C3 | H3 | 74.3° | 74.3° |
| C6 | C5 | O5 | HA | 105.1° | 105.1° |
| C5 | C6 | C7 | H7 | 3.0° | 3.0° |
| C5 | C6 | C11 | H11 | 3.5° | 3.5° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 2.0° | 2.0° |
| C7 | C6 | C11 | C10 | 2.9° | 2.9° |
| C7 | C6 | C5 | H5 | 52.6° | 52.6° |
| C7 | C6 | C11 | H11 | 177.1° | 177.1° |
| C6 | C7 | C8 | H8 | 178.0° | 178.0° |
| C11 | C6 | C7 | C8 | 3.7° | 3.7° |
| C6 | C11 | C10 | C9 | 0.4° | 0.4° |
| C6 | C11 | C10 | H11 | 180.0° | 180.0° |
| C11 | C6 | C5 | H5 | 133.8° | 133.8° |
| C11 | C6 | C7 | H7 | 176.3° | 176.3° |
| C6 | C11 | C10 | H10 | 179.6° | 179.6° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | N9 | 179.7° | 179.7° |
| C7 | C8 | C9 | C10 | 0.4° | 0.4° |
| C8 | C9 | N9 | C10 | 179.9° | 179.9° |
| C8 | C9 | N9 | O9A | 179.5° | 179.5° |
| C8 | C9 | N9 | O9B | 0.0° | 0.0° |
| C8 | C9 | C10 | C11 | 1.2° | 1.2° |
| C9 | C8 | C7 | H7 | 177.9° | 178.0° |
| C8 | C9 | C10 | H10 | 178.8° | 178.8° |
| C9 | N9 | O9A | O9B | 179.4° | 179.4° |
| N9 | C9 | C10 | C11 | 178.9° | 178.9° |
| N9 | C9 | C8 | H8 | 0.3° | 0.3° |
| N9 | C9 | C10 | H10 | 1.1° | 1.1° |
| C10 | C9 | N9 | O9A | 0.6° | 0.6° |
| C10 | C9 | N9 | O9B | 179.9° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | H11 | 179.6° | 179.6° |
| C10 | C9 | C8 | H8 | 179.6° | 179.6° |
| O4 | C12 | C13 | C14 | 134.6° | 134.6° |
| O4 | C12 | C13 | O12 | 178.7° | 178.7° |
| C12 | O4 | C4 | H41C | 121.5° | 121.5° |
| C12 | O4 | C4 | H42C | 115.2° | 115.2° |
| O4 | C12 | C13 | H131 | 105.4° | 105.4° |
| O4 | C12 | C13 | H132 | 15.0° | 14.9° |
| O15 | C15 | O16 | C14 | 179.5° | 179.5° |
| O15 | C15 | C14 | C13 | 1.6° | 1.6° |
| O15 | C15 | O16 | H16 | 0.0° | 0.0° |
| O15 | C15 | C14 | H141 | 121.6° | 121.6° |
| O15 | C15 | C14 | H142 | 118.3° | 118.3° |
| O16 | C15 | C14 | C13 | 178.9° | 178.9° |
| O16 | C15 | C14 | H141 | 59.0° | 59.0° |
| O16 | C15 | C14 | H142 | 61.2° | 61.2° |
| C15 | C14 | C13 | H141 | 120.0° | 120.0° |
| C15 | C14 | C13 | H142 | 119.9° | 119.9° |
| C15 | C14 | C13 | C12 | 68.5° | 68.5° |
| C14 | C15 | O16 | H16 | 179.5° | 179.5° |
| C15 | C14 | H141 | H142 | 119.9° | 119.9° |
| C15 | C14 | C13 | H131 | 51.5° | 51.5° |
| C15 | C14 | C13 | H132 | 171.9° | 171.9° |
| C14 | C13 | C12 | H131 | 120.0° | 120.0° |
| C14 | C13 | C12 | H132 | 119.6° | 119.7° |
| C14 | C13 | C12 | O12 | 46.7° | 46.7° |
| C13 | C14 | H141 | H142 | 119.9° | 119.9° |
| C14 | C13 | H131 | H132 | 119.7° | 119.7° |
| C12 | C13 | C14 | H141 | 171.6° | 171.6° |
| C12 | C13 | C14 | H142 | 51.4° | 51.4° |
| C12 | C13 | H131 | H132 | 119.7° | 119.7° |
| O12 | C12 | C13 | H131 | 73.3° | 73.3° |
| O12 | C12 | C13 | H132 | 166.4° | 166.4° |
| H2 | N2 | C3 | H3 | 167.5° | 167.5° |
| H3 | C3 | C4 | H41C | 88.0° | 88.0° |
| H3 | C3 | C4 | H42C | 148.7° | 148.7° |
| H3 | C3 | C5 | H5 | 29.9° | 29.9° |
| H5 | C5 | O5 | HA | 149.8° | 149.8° |
| H7 | C7 | C8 | H8 | 2.0° | 2.0° |
| H11 | C11 | C10 | H10 | 0.4° | 0.4° |
| H141 | C14 | C13 | H131 | 68.5° | 68.5° |
| H141 | C14 | C13 | H132 | 51.9° | 51.9° |
| H142 | C14 | C13 | H131 | 171.4° | 171.4° |
| H142 | C14 | C13 | H132 | 68.2° | 68.3° |
