CLM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | CL1 | sing | 1.80Å | 1.71Å | |
| C1 | CL2 | sing | 1.80Å | 1.77Å | |
| C1 | C2 | sing | 1.51Å | 1.59Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | O2 | doub | 1.21Å | 1.20Å | |
| C2 | N2 | sing | 1.35Å | 1.32Å | |
| N2 | C3 | sing | 1.46Å | 1.46Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | O4 | sing | 1.43Å | 1.48Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C6 | C7 | doub | 1.38Å | 1.45Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | doub | 1.41Å | 1.33Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | N9 | sing | 1.35Å | 1.48Å | |
| C9 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| N9 | O9A | sing | 1.22Å | 1.20Å | |
| N9 | O9B | doub | 1.22Å | 1.23Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C1 | CL2 | 105.6° | 109.4° |
| CL1 | C1 | C2 | 106.5° | 109.5° |
| CL1 | C1 | H1 | 112.1° | 109.5° |
| CL2 | C1 | C2 | 104.0° | 109.5° |
| CL2 | C1 | H1 | 114.3° | 109.5° |
| C2 | C1 | H1 | 113.5° | 109.5° |
| C1 | C2 | O2 | 119.2° | 120.0° |
| C1 | C2 | N2 | 111.2° | 120.0° |
| O2 | C2 | N2 | 129.4° | 120.0° |
| C2 | N2 | C3 | 125.2° | 120.0° |
| C2 | N2 | HN2 | 112.1° | 119.9° |
| C3 | N2 | HN2 | 122.7° | 120.0° |
| N2 | C3 | C4 | 110.4° | 109.5° |
| N2 | C3 | C5 | 111.6° | 109.5° |
| N2 | C3 | H3 | 109.9° | 109.5° |
| C4 | C3 | C5 | 116.0° | 109.4° |
| C4 | C3 | H3 | 104.9° | 109.4° |
| C3 | C4 | O4 | 106.4° | 109.5° |
| C3 | C4 | H41 | 113.3° | 109.5° |
| C3 | C4 | H42 | 113.4° | 109.5° |
| C5 | C3 | H3 | 103.5° | 109.5° |
| C3 | C5 | O5 | 108.5° | 109.5° |
| C3 | C5 | C6 | 107.8° | 109.4° |
| C3 | C5 | H5 | 111.2° | 109.5° |
| O4 | C4 | H41 | 113.4° | 109.4° |
| O4 | C4 | H42 | 113.3° | 109.5° |
| C4 | O4 | HO4 | 106.4° | 106.8° |
| H41 | C4 | H42 | 97.1° | 109.5° |
| O5 | C5 | C6 | 109.3° | 109.4° |
| O5 | C5 | H5 | 109.7° | 109.4° |
| C5 | O5 | HO5 | 108.4° | 106.8° |
| C6 | C5 | H5 | 110.3° | 109.5° |
| C5 | C6 | C7 | 115.2° | 119.8° |
| C5 | C6 | C11 | 124.8° | 119.8° |
| C7 | C6 | C11 | 119.8° | 120.5° |
| C6 | C7 | C8 | 120.4° | 120.2° |
| C6 | C7 | H7 | 122.7° | 119.9° |
| C6 | C11 | C10 | 118.9° | 120.2° |
| C6 | C11 | H11 | 120.4° | 119.9° |
| C8 | C7 | H7 | 116.9° | 119.9° |
| C7 | C8 | C9 | 117.9° | 119.8° |
| C7 | C8 | H8 | 122.6° | 120.1° |
| C9 | C8 | H8 | 119.5° | 120.2° |
| C8 | C9 | N9 | 123.6° | 120.2° |
| C8 | C9 | C10 | 124.3° | 119.5° |
| N9 | C9 | C10 | 111.8° | 120.2° |
| C9 | N9 | O9A | 118.7° | 120.0° |
| C9 | N9 | O9B | 116.1° | 120.0° |
| C9 | C10 | C11 | 118.4° | 119.8° |
| C9 | C10 | H10 | 122.0° | 120.1° |
| O9A | N9 | O9B | 125.2° | 120.0° |
| C11 | C10 | H10 | 119.6° | 120.1° |
| C10 | C11 | H11 | 120.7° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C1 | CL2 | C2 | 111.9° | 120.0° |
| CL1 | C1 | CL2 | H1 | 123.8° | 120.0° |
| CL1 | C1 | C2 | H1 | 123.9° | 120.0° |
| CL1 | C1 | C2 | O2 | 42.5° | 0.0° |
| CL1 | C1 | C2 | N2 | 141.1° | 180.0° |
| CL2 | C1 | C2 | H1 | 124.9° | 120.0° |
| CL2 | C1 | C2 | O2 | 68.8° | 120.0° |
| CL2 | C1 | C2 | N2 | 107.6° | 60.0° |
| C1 | C2 | O2 | N2 | 175.7° | 179.9° |
| C1 | C2 | N2 | C3 | 178.2° | 180.0° |
| C1 | C2 | N2 | HN2 | 1.8° | 0.0° |
| H1 | C1 | C2 | O2 | 166.3° | 120.0° |
| H1 | C1 | C2 | N2 | 17.2° | 60.0° |
| O2 | C2 | N2 | C3 | 5.9° | 0.0° |
| O2 | C2 | N2 | HN2 | 174.1° | 180.0° |
| C2 | N2 | C3 | HN2 | 180.0° | 180.0° |
| C2 | N2 | C3 | C4 | 127.8° | 89.9° |
| C2 | N2 | C3 | C5 | 101.7° | 150.1° |
| C2 | N2 | C3 | H3 | 12.5° | 30.0° |
| N2 | C3 | C4 | C5 | 128.2° | 120.0° |
| N2 | C3 | C4 | H3 | 118.4° | 120.0° |
| N2 | C3 | C5 | H3 | 118.2° | 120.1° |
| N2 | C3 | C4 | O4 | 177.7° | 60.0° |
| N2 | C3 | C4 | H41 | 52.5° | 180.0° |
| N2 | C3 | C4 | H42 | 57.0° | 60.0° |
| N2 | C3 | C5 | O5 | 67.4° | 60.0° |
| N2 | C3 | C5 | C6 | 50.8° | 60.0° |
| N2 | C3 | C5 | H5 | 171.9° | 180.0° |
| HN2 | N2 | C3 | C4 | 52.3° | 90.0° |
| HN2 | N2 | C3 | C5 | 78.3° | 30.0° |
| HN2 | N2 | C3 | H3 | 167.5° | 150.0° |
| C4 | C3 | C5 | H3 | 114.2° | 119.9° |
| C3 | C4 | O4 | H41 | 125.2° | 120.0° |
| C3 | C4 | O4 | H42 | 125.3° | 120.1° |
| C3 | C4 | H41 | H42 | 119.3° | 120.1° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C4 | C3 | C5 | O5 | 60.2° | 60.0° |
| C4 | C3 | C5 | C6 | 178.4° | 180.0° |
| C4 | C3 | C5 | H5 | 60.5° | 60.0° |
| C5 | C3 | C4 | O4 | 49.6° | 60.0° |
| C5 | C3 | C4 | H41 | 75.7° | 59.9° |
| C5 | C3 | C4 | H42 | 174.8° | 180.0° |
| C3 | C5 | O5 | C6 | 117.3° | 120.0° |
| C3 | C5 | O5 | H5 | 121.6° | 120.1° |
| C3 | C5 | C6 | H5 | 121.6° | 120.0° |
| C3 | C5 | O5 | HO5 | 180.0° | 60.0° |
| C3 | C5 | C6 | C7 | 89.6° | 90.0° |
| C3 | C5 | C6 | C11 | 95.9° | 90.3° |
| H3 | C3 | C4 | O4 | 63.9° | 180.0° |
| H3 | C3 | C4 | H41 | 170.8° | 60.1° |
| H3 | C3 | C4 | H42 | 61.4° | 60.0° |
| H3 | C3 | C5 | O5 | 174.4° | 180.0° |
| H3 | C3 | C5 | C6 | 67.3° | 60.0° |
| H3 | C3 | C5 | H5 | 53.7° | 59.9° |
| O4 | C4 | H41 | H42 | 119.3° | 120.0° |
| H41 | C4 | O4 | HO4 | 54.8° | 60.1° |
| H42 | C4 | O4 | HO4 | 54.8° | 59.9° |
| O5 | C5 | C6 | H5 | 120.7° | 119.9° |
| O5 | C5 | C6 | C7 | 152.7° | 30.0° |
| O5 | C5 | C6 | C11 | 21.8° | 149.7° |
| C6 | C5 | O5 | HO5 | 62.7° | 60.0° |
| C5 | C6 | C7 | C11 | 174.8° | 179.7° |
| C5 | C6 | C7 | C8 | 173.4° | 180.0° |
| C5 | C6 | C7 | H7 | 6.6° | 0.1° |
| C5 | C6 | C11 | C10 | 175.2° | 179.7° |
| C5 | C6 | C11 | H11 | 4.8° | 0.3° |
| H5 | C5 | O5 | HO5 | 58.4° | 180.0° |
| H5 | C5 | C6 | C7 | 32.0° | 150.0° |
| H5 | C5 | C6 | C11 | 142.5° | 29.8° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.3° | 0.0° |
| C6 | C7 | C8 | H8 | 179.7° | 180.0° |
| C7 | C6 | C11 | C10 | 0.9° | 0.6° |
| C7 | C6 | C11 | H11 | 179.1° | 180.0° |
| C11 | C6 | C7 | C8 | 1.4° | 0.3° |
| C11 | C6 | C7 | H7 | 178.6° | 179.8° |
| C6 | C11 | C10 | C9 | 4.6° | 0.6° |
| C6 | C11 | C10 | H11 | 180.0° | 179.4° |
| C6 | C11 | C10 | H10 | 175.4° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | N9 | 177.8° | 180.0° |
| C7 | C8 | C9 | C10 | 4.3° | 0.0° |
| H7 | C7 | C8 | C9 | 179.7° | 179.9° |
| H7 | C7 | C8 | H8 | 0.3° | 0.1° |
| C8 | C9 | N9 | C10 | 174.2° | 180.0° |
| C8 | C9 | N9 | O9A | 161.9° | 180.0° |
| C8 | C9 | N9 | O9B | 17.2° | 0.0° |
| C8 | C9 | C10 | C11 | 6.6° | 0.3° |
| C8 | C9 | C10 | H10 | 173.4° | 180.0° |
| H8 | C8 | C9 | N9 | 2.2° | 0.0° |
| H8 | C8 | C9 | C10 | 175.7° | 180.0° |
| C9 | N9 | O9A | O9B | 178.9° | 180.0° |
| N9 | C9 | C10 | C11 | 179.3° | 179.7° |
| N9 | C9 | C10 | H10 | 0.8° | 0.0° |
| C10 | C9 | N9 | O9A | 12.3° | 0.0° |
| C10 | C9 | N9 | O9B | 168.7° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C9 | C10 | C11 | H11 | 175.4° | 180.0° |
| H10 | C10 | C11 | H11 | 4.6° | 0.3° |
