LH0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C2 | sing | 1.74Å | 1.72Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | N | sing | 1.40Å | 1.44Å | |
| C5 | C | sing | 1.38Å | 1.38Å | Aromatic |
| F | C7 | sing | 1.40Å | 1.33Å | |
| N1 | N | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | C6 | doub | 1.31Å | 1.34Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.55Å | |
| C7 | F1 | sing | 1.40Å | 1.32Å | |
| C | CL | sing | 1.74Å | 1.73Å | |
| N | C9 | sing | 1.37Å | 1.36Å | Aromatic |
| C6 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| O | C13 | doub | 1.21Å | 1.23Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.47Å | 1.45Å | |
| S | C10 | sing | 1.76Å | 1.74Å | Aromatic |
| S | C12 | sing | 1.71Å | 1.73Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | N3 | sing | 1.35Å | 1.36Å | |
| C10 | C11 | doub | 1.35Å | 1.37Å | Aromatic |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C12 | N3 | sing | 1.39Å | 1.38Å | |
| C12 | N2 | doub | 1.30Å | 1.30Å | Aromatic |
| C11 | N2 | sing | 1.31Å | 1.38Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C2 | C3 | 119.2° | 120.1° |
| CL1 | C2 | C1 | 119.2° | 120.0° |
| C2 | C3 | C4 | 119.3° | 120.1° |
| C3 | C2 | C1 | 121.5° | 119.9° |
| C2 | C3 | H1 | 120.3° | 119.9° |
| C3 | C4 | C5 | 120.3° | 120.1° |
| C4 | C3 | H1 | 120.3° | 120.0° |
| C3 | C4 | H2 | 119.8° | 119.9° |
| C2 | C1 | C | 118.0° | 119.9° |
| C2 | C1 | N | 120.6° | 120.1° |
| C4 | C5 | C | 119.4° | 120.1° |
| C5 | C4 | H2 | 119.8° | 119.9° |
| C4 | C5 | H3 | 120.3° | 120.0° |
| C | C1 | N | 121.4° | 120.1° |
| C1 | C | C5 | 121.3° | 119.9° |
| C1 | C | CL | 120.5° | 120.1° |
| C1 | N | N1 | 117.2° | 126.1° |
| C1 | N | C9 | 130.3° | 126.2° |
| C5 | C | CL | 118.1° | 120.0° |
| C | C5 | H3 | 120.3° | 120.0° |
| F | C7 | C6 | 110.3° | 109.5° |
| F | C7 | F1 | 107.2° | 109.5° |
| F | C7 | H4 | 110.7° | 109.4° |
| N | N1 | C6 | 104.0° | 108.8° |
| N1 | N | C9 | 112.3° | 107.7° |
| N1 | C6 | C7 | 118.4° | 125.6° |
| N1 | C6 | C8 | 112.2° | 108.8° |
| C6 | C7 | F1 | 110.3° | 109.5° |
| C7 | C6 | C8 | 129.3° | 125.6° |
| C6 | C7 | H4 | 107.6° | 109.5° |
| F1 | C7 | H4 | 110.8° | 109.5° |
| N | C9 | C8 | 106.2° | 107.0° |
| N | C9 | C10 | 125.7° | 126.5° |
| C6 | C8 | C9 | 105.2° | 107.6° |
| C6 | C8 | H5 | 127.5° | 126.2° |
| O | C13 | C14 | 121.9° | 120.0° |
| O | C13 | N3 | 123.1° | 120.0° |
| C15 | C14 | C13 | 109.4° | 109.5° |
| C15 | C14 | C16 | 110.9° | 109.5° |
| C15 | C14 | H7 | 109.2° | 109.5° |
| C14 | C15 | H8 | 109.5° | 109.5° |
| C14 | C15 | H9 | 109.5° | 109.5° |
| C14 | C15 | H10 | 109.5° | 109.5° |
| C8 | C9 | C10 | 128.0° | 126.5° |
| C9 | C8 | H5 | 127.4° | 126.1° |
| C9 | C10 | S | 123.8° | 126.0° |
| C9 | C10 | C11 | 127.7° | 126.1° |
| C10 | S | C12 | 89.4° | 90.4° |
| S | C10 | C11 | 108.3° | 107.9° |
| S | C12 | N3 | 123.3° | 124.8° |
| S | C12 | N2 | 115.6° | 110.4° |
| C14 | C13 | N3 | 115.0° | 120.0° |
| C13 | C14 | C16 | 108.7° | 109.4° |
| C13 | C14 | H7 | 109.4° | 109.5° |
| C13 | N3 | C12 | 124.4° | 120.0° |
| C13 | N3 | H14 | 117.8° | 120.0° |
| C10 | C11 | N2 | 117.2° | 114.3° |
| C10 | C11 | H6 | 121.4° | 122.8° |
| C16 | C14 | H7 | 109.2° | 109.4° |
| C14 | C16 | H11 | 109.5° | 109.5° |
| C14 | C16 | H12 | 109.5° | 109.5° |
| C14 | C16 | H13 | 109.5° | 109.5° |
| N3 | C12 | N2 | 121.1° | 124.8° |
| C12 | N3 | H14 | 117.8° | 120.0° |
| C12 | N2 | C11 | 109.5° | 117.1° |
| N2 | C11 | H6 | 121.4° | 122.9° |
| H8 | C15 | H9 | 109.4° | 109.5° |
| H8 | C15 | H10 | 109.5° | 109.4° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H11 | C16 | H13 | 109.5° | 109.4° |
| H12 | C16 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C2 | C3 | C1 | 178.0° | 179.8° |
| CL1 | C2 | C3 | C4 | 177.8° | 179.7° |
| CL1 | C2 | C1 | C | 177.3° | 179.7° |
| CL1 | C2 | C1 | N | 2.1° | 0.3° |
| CL1 | C2 | C3 | H1 | 2.2° | 0.2° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C3 | C2 | C1 | C | 0.8° | 0.1° |
| C3 | C2 | C1 | N | 179.9° | 179.9° |
| C2 | C3 | C4 | H2 | 179.8° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.1° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | C | 0.0° | 0.0° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C2 | C1 | C | N | 179.3° | 180.0° |
| C2 | C1 | C | C5 | 0.9° | 0.0° |
| C2 | C1 | N | N1 | 82.4° | 86.6° |
| C2 | C1 | C | CL | 176.0° | 180.0° |
| C2 | C1 | N | C9 | 93.1° | 93.1° |
| C1 | C2 | C3 | H1 | 179.8° | 180.0° |
| C4 | C5 | C | C1 | 0.5° | 0.0° |
| C4 | C5 | C | H3 | 180.0° | 180.0° |
| C4 | C5 | C | CL | 176.4° | 180.0° |
| C5 | C4 | C3 | H1 | 179.8° | 180.0° |
| C1 | C | C5 | CL | 177.0° | 180.0° |
| C | C1 | N | N1 | 96.9° | 93.4° |
| C | C1 | N | C9 | 87.6° | 86.9° |
| C1 | C | C5 | H3 | 179.5° | 179.9° |
| N | C1 | C | C5 | 179.8° | 180.0° |
| C1 | N | N1 | C9 | 176.3° | 179.7° |
| C1 | N | N1 | C6 | 175.6° | 179.9° |
| N | C1 | C | CL | 3.3° | 0.0° |
| C1 | N | C9 | C8 | 176.2° | 180.0° |
| C1 | N | C9 | C10 | 5.6° | 0.3° |
| C | C5 | C4 | H2 | 179.9° | 179.9° |
| F | C7 | C6 | N1 | 120.7° | 150.3° |
| F | C7 | C6 | F1 | 118.2° | 120.0° |
| F | C7 | C6 | H4 | 120.8° | 120.0° |
| F | C7 | F1 | H4 | 120.8° | 120.0° |
| F | C7 | C6 | C8 | 54.7° | 30.0° |
| N | N1 | C6 | C7 | 174.5° | 179.8° |
| N | N1 | C6 | C8 | 1.6° | 0.4° |
| N1 | N | C9 | C8 | 0.5° | 0.2° |
| N1 | N | C9 | C10 | 178.7° | 180.0° |
| N1 | C6 | C7 | C8 | 175.4° | 179.7° |
| N1 | C6 | C7 | F1 | 121.1° | 30.3° |
| C6 | N1 | N | C9 | 0.7° | 0.4° |
| N1 | C6 | C8 | C9 | 2.0° | 0.3° |
| N1 | C6 | C7 | H4 | 0.1° | 89.7° |
| N1 | C6 | C8 | H5 | 178.0° | 179.8° |
| C6 | C7 | F1 | H4 | 119.1° | 120.0° |
| C7 | C6 | C8 | C9 | 173.6° | 180.0° |
| C7 | C6 | C8 | H5 | 6.4° | 0.0° |
| F1 | C7 | C6 | C8 | 63.5° | 150.0° |
| CL | C | C5 | H3 | 3.6° | 0.0° |
| N | C9 | C8 | C6 | 1.4° | 0.0° |
| N | C9 | C8 | C10 | 178.2° | 179.8° |
| N | C9 | C10 | S | 21.3° | 8.8° |
| N | C9 | C10 | C11 | 164.1° | 171.1° |
| N | C9 | C8 | H5 | 178.6° | 180.0° |
| C6 | C8 | C9 | H5 | 180.0° | 180.0° |
| C6 | C8 | C9 | C10 | 179.6° | 179.8° |
| C8 | C6 | C7 | H4 | 175.5° | 90.0° |
| O | C13 | C14 | C15 | 41.5° | 120.0° |
| O | C13 | C14 | N3 | 178.3° | 180.0° |
| O | C13 | C14 | C16 | 79.8° | 0.0° |
| O | C13 | N3 | C12 | 0.3° | 0.0° |
| O | C13 | C14 | H7 | 161.1° | 120.0° |
| O | C13 | N3 | H14 | 179.7° | 180.0° |
| C15 | C14 | C13 | C16 | 121.2° | 120.0° |
| C15 | C14 | C13 | H7 | 119.6° | 120.0° |
| C15 | C14 | C13 | N3 | 140.2° | 60.0° |
| C15 | C14 | C16 | H7 | 120.5° | 120.0° |
| C14 | C15 | H8 | H9 | 120.0° | 120.0° |
| C14 | C15 | H8 | H10 | 120.0° | 120.0° |
| C14 | C15 | H9 | H10 | 120.0° | 120.0° |
| C15 | C14 | C16 | H11 | 180.0° | 180.0° |
| C15 | C14 | C16 | H12 | 60.0° | 60.0° |
| C15 | C14 | C16 | H13 | 60.0° | 60.0° |
| C8 | C9 | C10 | S | 160.8° | 171.5° |
| C8 | C9 | C10 | C11 | 13.8° | 8.7° |
| C9 | C10 | S | C11 | 175.5° | 179.9° |
| C9 | C10 | S | C12 | 176.0° | 179.9° |
| C9 | C10 | C11 | N2 | 176.4° | 179.9° |
| C10 | C9 | C8 | H5 | 0.4° | 0.2° |
| C9 | C10 | C11 | H6 | 3.6° | 0.2° |
| C10 | S | C12 | N3 | 178.6° | 179.9° |
| C10 | S | C12 | N2 | 0.1° | 0.4° |
| S | C10 | C11 | N2 | 1.1° | 0.0° |
| S | C10 | C11 | H6 | 178.9° | 179.7° |
| S | C12 | N3 | C13 | 0.2° | 179.5° |
| C12 | S | C10 | C11 | 0.5° | 0.2° |
| S | C12 | N3 | N2 | 178.6° | 179.5° |
| S | C12 | N2 | C11 | 0.7° | 0.4° |
| S | C12 | N3 | H14 | 179.8° | 0.5° |
| C13 | C14 | C16 | H7 | 119.2° | 120.0° |
| C14 | C13 | N3 | C12 | 177.9° | 180.0° |
| C13 | C14 | C15 | H8 | 180.0° | 180.0° |
| C13 | C14 | C15 | H9 | 60.0° | 60.0° |
| C13 | C14 | C15 | H10 | 60.0° | 60.0° |
| C13 | C14 | C16 | H11 | 59.7° | 60.0° |
| C13 | C14 | C16 | H12 | 60.3° | 180.0° |
| C13 | C14 | C16 | H13 | 179.7° | 60.0° |
| C14 | C13 | N3 | H14 | 2.1° | 0.0° |
| N3 | C13 | C14 | C16 | 98.5° | 180.0° |
| C13 | N3 | C12 | H14 | 180.0° | 180.0° |
| C13 | N3 | C12 | N2 | 178.4° | 0.0° |
| N3 | C13 | C14 | H7 | 20.6° | 60.0° |
| C10 | C11 | N2 | C12 | 1.2° | 0.3° |
| C10 | C11 | N2 | H6 | 180.0° | 179.7° |
| C16 | C14 | C15 | H8 | 60.1° | 60.0° |
| C16 | C14 | C15 | H9 | 59.9° | 180.0° |
| C16 | C14 | C15 | H10 | 179.9° | 60.0° |
| C14 | C16 | H11 | H12 | 120.0° | 120.0° |
| C14 | C16 | H11 | H13 | 120.0° | 120.0° |
| C14 | C16 | H12 | H13 | 120.0° | 120.0° |
| N3 | C12 | N2 | C11 | 178.0° | 180.0° |
| C12 | N2 | C11 | H6 | 178.8° | 180.0° |
| N2 | C12 | N3 | H14 | 1.6° | 180.0° |
| H1 | C3 | C4 | H2 | 0.2° | 0.1° |
| H2 | C4 | C5 | H3 | 0.1° | 0.0° |
| H7 | C14 | C15 | H8 | 60.3° | 60.0° |
| H7 | C14 | C15 | H9 | 179.7° | 60.0° |
| H7 | C14 | C15 | H10 | 59.7° | 179.9° |
| H7 | C14 | C16 | H11 | 59.5° | 60.0° |
| H7 | C14 | C16 | H12 | 179.6° | 60.0° |
| H7 | C14 | C16 | H13 | 60.5° | 180.0° |
| H8 | C15 | H9 | H10 | 120.0° | 120.0° |
| H11 | C16 | H12 | H13 | 120.0° | 119.9° |
