5L8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| CL1 | C2 | sing | 1.74Å | 1.73Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C15 | sing | 1.53Å | 1.55Å | |
| CL2 | C17 | sing | 1.80Å | 1.81Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | C25 | sing | 1.53Å | 1.53Å | |
| C15 | O16 | sing | 1.43Å | 1.43Å | |
| N29 | C30 | doub | 1.31Å | 1.31Å | Aromatic |
| N29 | N28 | sing | 1.40Å | 1.35Å | Aromatic |
| C19 | C17 | sing | 1.53Å | 1.49Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C25 | N28 | sing | 1.46Å | 1.45Å | |
| C30 | N31 | sing | 1.33Å | 1.35Å | Aromatic |
| N28 | C32 | sing | 1.34Å | 1.33Å | Aromatic |
| N31 | C32 | doub | 1.31Å | 1.31Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| O16 | H7 | sing | 0.97Å | 0.95Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.08Å | 1.08Å | |
| C32 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 119.2° | 120.0° |
| C1 | C6 | C5 | 119.8° | 120.0° |
| C6 | C1 | H1 | 120.4° | 120.0° |
| C1 | C6 | H4 | 120.1° | 119.9° |
| C1 | C2 | CL1 | 118.1° | 120.0° |
| C1 | C2 | C3 | 122.7° | 120.0° |
| C2 | C1 | H1 | 120.4° | 120.0° |
| C6 | C5 | C4 | 120.3° | 120.1° |
| C6 | C5 | H3 | 119.8° | 120.0° |
| C5 | C6 | H4 | 120.1° | 120.1° |
| CL1 | C2 | C3 | 119.2° | 120.0° |
| C2 | C3 | C4 | 116.7° | 120.0° |
| C2 | C3 | C12 | 123.4° | 120.0° |
| C5 | C4 | C3 | 121.4° | 120.0° |
| C5 | C4 | H2 | 119.3° | 120.1° |
| C4 | C5 | H3 | 119.9° | 120.0° |
| C4 | C3 | C12 | 119.9° | 120.1° |
| C3 | C4 | H2 | 119.3° | 119.9° |
| C3 | C12 | C15 | 118.7° | 109.5° |
| C3 | C12 | H5 | 107.1° | 109.5° |
| C3 | C12 | H6 | 107.1° | 109.5° |
| C12 | C15 | C17 | 109.6° | 109.4° |
| C12 | C15 | C25 | 112.0° | 109.5° |
| C12 | C15 | O16 | 111.4° | 109.5° |
| C15 | C12 | H5 | 107.1° | 109.4° |
| C15 | C12 | H6 | 107.1° | 109.5° |
| CL2 | C17 | C15 | 108.8° | 115.5° |
| CL2 | C17 | C19 | 114.3° | 117.5° |
| CL2 | C17 | C18 | 113.7° | 117.5° |
| C17 | C15 | C25 | 105.5° | 109.5° |
| C17 | C15 | O16 | 107.6° | 109.5° |
| C15 | C17 | C19 | 127.5° | 117.5° |
| C15 | C17 | C18 | 124.8° | 117.5° |
| C25 | C15 | O16 | 110.6° | 109.5° |
| C15 | C25 | N28 | 114.5° | 109.5° |
| C15 | C25 | H12 | 108.2° | 109.5° |
| C15 | C25 | H13 | 108.2° | 109.4° |
| C15 | O16 | H7 | 109.5° | 114.0° |
| C30 | N29 | N28 | 102.1° | 106.8° |
| N29 | C30 | N31 | 115.4° | 109.0° |
| N29 | C30 | H14 | 122.3° | 125.5° |
| N29 | N28 | C25 | 121.1° | 126.8° |
| N29 | N28 | C32 | 109.3° | 106.3° |
| C17 | C19 | C18 | 59.7° | 60.0° |
| C19 | C17 | C18 | 60.6° | 60.0° |
| C17 | C19 | H10 | 120.0° | 117.6° |
| C17 | C19 | H11 | 120.0° | 117.5° |
| C19 | C18 | C17 | 59.7° | 60.0° |
| C19 | C18 | H8 | 120.0° | 117.5° |
| C19 | C18 | H9 | 120.0° | 117.5° |
| C18 | C19 | H10 | 120.1° | 117.5° |
| C18 | C19 | H11 | 120.0° | 117.5° |
| C17 | C18 | H8 | 120.0° | 117.4° |
| C17 | C18 | H9 | 120.1° | 117.5° |
| C25 | N28 | C32 | 129.5° | 126.8° |
| N28 | C25 | H12 | 108.2° | 109.5° |
| N28 | C25 | H13 | 108.2° | 109.5° |
| C30 | N31 | C32 | 102.2° | 109.9° |
| N31 | C30 | H14 | 122.3° | 125.6° |
| N28 | C32 | N31 | 111.0° | 108.1° |
| N28 | C32 | H15 | 124.5° | 125.9° |
| N31 | C32 | H15 | 124.5° | 126.0° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H8 | C18 | H9 | 109.5° | 115.6° |
| H10 | C19 | H11 | 109.5° | 115.6° |
| H12 | C25 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C1 | C6 | C5 | H4 | 180.0° | 180.0° |
| C6 | C1 | C2 | CL1 | 179.3° | 180.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C1 | C6 | C5 | C4 | 0.6° | 0.0° |
| C1 | C6 | C5 | H3 | 179.4° | 180.0° |
| C2 | C1 | C6 | C5 | 0.4° | 0.0° |
| C1 | C2 | CL1 | C3 | 179.5° | 180.0° |
| C1 | C2 | C3 | C4 | 0.7° | 0.0° |
| C1 | C2 | C3 | C12 | 176.9° | 180.0° |
| C2 | C1 | C6 | H4 | 179.6° | 180.0° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C5 | C6 | C1 | H1 | 179.6° | 179.8° |
| C6 | C5 | C4 | H2 | 179.9° | 180.0° |
| CL1 | C2 | C3 | C4 | 178.8° | 180.0° |
| CL1 | C2 | C3 | C12 | 3.6° | 0.0° |
| CL1 | C2 | C1 | H1 | 0.7° | 0.2° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C2 | C3 | C4 | C12 | 177.6° | 180.0° |
| C2 | C3 | C12 | C15 | 100.8° | 102.2° |
| C3 | C2 | C1 | H1 | 179.8° | 179.7° |
| C2 | C3 | C4 | H2 | 179.5° | 180.0° |
| C2 | C3 | C12 | H5 | 20.6° | 137.9° |
| C2 | C3 | C12 | H6 | 138.0° | 17.8° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C12 | 177.1° | 180.0° |
| C4 | C5 | C6 | H4 | 179.5° | 180.0° |
| C4 | C3 | C12 | C15 | 81.8° | 77.9° |
| C3 | C4 | C5 | H3 | 179.9° | 180.0° |
| C4 | C3 | C12 | H5 | 156.9° | 42.1° |
| C4 | C3 | C12 | H6 | 39.5° | 162.1° |
| C3 | C12 | C15 | H5 | 121.3° | 120.0° |
| C3 | C12 | C15 | H6 | 121.3° | 120.1° |
| C3 | C12 | C15 | C17 | 171.7° | 63.5° |
| C3 | C12 | C15 | C25 | 55.0° | 176.5° |
| C3 | C12 | C15 | O16 | 69.4° | 56.5° |
| C12 | C3 | C4 | H2 | 2.9° | 0.0° |
| C3 | C12 | H5 | H6 | 115.8° | 120.0° |
| C12 | C15 | C17 | CL2 | 75.7° | 84.7° |
| C12 | C15 | C17 | C25 | 120.7° | 120.0° |
| C12 | C15 | C17 | O16 | 121.2° | 120.0° |
| C12 | C15 | C25 | O16 | 124.9° | 120.0° |
| C12 | C15 | C17 | C19 | 68.1° | 129.7° |
| C12 | C15 | C17 | C18 | 145.4° | 61.1° |
| C12 | C15 | C25 | N28 | 82.0° | 54.6° |
| C15 | C12 | H5 | H6 | 115.8° | 120.0° |
| C12 | C15 | O16 | H7 | 180.0° | 60.0° |
| C12 | C15 | C25 | H12 | 38.7° | 65.4° |
| C12 | C15 | C25 | H13 | 157.2° | 174.6° |
| CL2 | C17 | C15 | C19 | 143.9° | 145.7° |
| CL2 | C17 | C15 | C18 | 138.9° | 145.7° |
| CL2 | C17 | C15 | C25 | 45.0° | 155.4° |
| CL2 | C17 | C15 | O16 | 163.0° | 35.3° |
| CL2 | C17 | C19 | C18 | 104.6° | 107.5° |
| CL2 | C17 | C18 | H8 | 3.8° | 145.0° |
| CL2 | C17 | C18 | H9 | 145.1° | 0.0° |
| CL2 | C17 | C19 | H10 | 4.8° | 0.1° |
| CL2 | C17 | C19 | H11 | 146.0° | 145.1° |
| C17 | C15 | C25 | O16 | 116.0° | 120.1° |
| C15 | C17 | C19 | C18 | 113.1° | 107.5° |
| C17 | C15 | C25 | N28 | 158.9° | 174.5° |
| C17 | C15 | C12 | H5 | 50.4° | 176.5° |
| C17 | C15 | C12 | H6 | 67.0° | 56.5° |
| C17 | C15 | O16 | H7 | 59.9° | 179.9° |
| C15 | C17 | C18 | H8 | 133.3° | 0.0° |
| C15 | C17 | C18 | H9 | 7.9° | 145.0° |
| C15 | C17 | C19 | H10 | 137.4° | 145.0° |
| C15 | C17 | C19 | H11 | 3.7° | 0.1° |
| C17 | C15 | C25 | H12 | 80.4° | 54.5° |
| C17 | C15 | C25 | H13 | 38.1° | 65.5° |
| C15 | C25 | N28 | N29 | 130.6° | 57.0° |
| C25 | C15 | C17 | C19 | 171.2° | 9.7° |
| C25 | C15 | C17 | C18 | 93.9° | 58.9° |
| C15 | C25 | N28 | H12 | 120.7° | 120.0° |
| C15 | C25 | N28 | H13 | 120.8° | 120.0° |
| C15 | C25 | N28 | C32 | 54.2° | 122.6° |
| C25 | C15 | C12 | H5 | 66.3° | 56.5° |
| C25 | C15 | C12 | H6 | 176.4° | 63.5° |
| C25 | C15 | O16 | H7 | 54.8° | 60.0° |
| C15 | C25 | H12 | H13 | 117.7° | 120.0° |
| O16 | C15 | C17 | C19 | 53.1° | 110.3° |
| O16 | C15 | C17 | C18 | 24.1° | 179.0° |
| O16 | C15 | C25 | N28 | 42.9° | 65.4° |
| O16 | C15 | C12 | H5 | 169.3° | 63.5° |
| O16 | C15 | C12 | H6 | 51.9° | 176.5° |
| O16 | C15 | C25 | H12 | 163.6° | 174.6° |
| O16 | C15 | C25 | H13 | 77.9° | 54.6° |
| C30 | N29 | N28 | C25 | 175.4° | 179.9° |
| N29 | C30 | N31 | H14 | 180.0° | 180.0° |
| C30 | N29 | N28 | C32 | 0.7° | 0.3° |
| N29 | C30 | N31 | C32 | 0.2° | 0.3° |
| N29 | N28 | C25 | C32 | 175.3° | 179.6° |
| N28 | N29 | C30 | N31 | 0.6° | 0.0° |
| N29 | N28 | C32 | N31 | 0.7° | 0.4° |
| N29 | N28 | C25 | H12 | 9.8° | 177.0° |
| N29 | N28 | C25 | H13 | 108.7° | 63.0° |
| N28 | N29 | C30 | H14 | 179.5° | 180.0° |
| N29 | N28 | C32 | H15 | 179.3° | 179.8° |
| C17 | C19 | C18 | H10 | 109.4° | 107.6° |
| C17 | C19 | C18 | H11 | 109.4° | 107.5° |
| C17 | C19 | C18 | H8 | 109.4° | 107.4° |
| C17 | C19 | C18 | H9 | 109.4° | 107.4° |
| C17 | C19 | H10 | H11 | 144.9° | 145.8° |
| C19 | C18 | H8 | H9 | 144.9° | 145.8° |
| C18 | C19 | H10 | H11 | 144.9° | 145.5° |
| C17 | C18 | H8 | H9 | 144.9° | 145.6° |
| C25 | N28 | C32 | N31 | 175.1° | 179.9° |
| N28 | C25 | H12 | H13 | 117.7° | 120.0° |
| C25 | N28 | C32 | H15 | 4.9° | 0.1° |
| C30 | N31 | C32 | N28 | 0.3° | 0.5° |
| C30 | N31 | C32 | H15 | 179.7° | 179.8° |
| N28 | C32 | N31 | H15 | 180.0° | 179.7° |
| C32 | N28 | C25 | H12 | 174.9° | 2.6° |
| C32 | N28 | C25 | H13 | 66.6° | 117.4° |
| C32 | N31 | C30 | H14 | 179.8° | 179.7° |
| H1 | C1 | C6 | H4 | 0.4° | 0.3° |
| H2 | C4 | C5 | H3 | 0.1° | 0.0° |
| H3 | C5 | C6 | H4 | 0.5° | 0.0° |
| H8 | C18 | C19 | H10 | 0.0° | 145.0° |
| H8 | C18 | C19 | H11 | 141.2° | 0.1° |
| H9 | C18 | C19 | H10 | 141.2° | 0.1° |
| H9 | C18 | C19 | H11 | 0.0° | 145.0° |
