5L9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C17 | sing | 1.80Å | 1.81Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.50Å | |
| C17 | C15 | sing | 1.53Å | 1.51Å | |
| C12 | C15 | sing | 1.53Å | 1.53Å | |
| C12 | C3 | sing | 1.51Å | 1.51Å | |
| CL1 | C2 | sing | 1.74Å | 1.73Å | |
| C15 | C25 | sing | 1.53Å | 1.53Å | |
| C15 | O16 | sing | 1.43Å | 1.44Å | |
| N29 | N28 | sing | 1.40Å | 1.36Å | Aromatic |
| N29 | C30 | doub | 1.31Å | 1.31Å | Aromatic |
| C25 | N28 | sing | 1.46Å | 1.46Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| N28 | C32 | sing | 1.34Å | 1.33Å | Aromatic |
| C30 | N31 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | N31 | doub | 1.31Å | 1.31Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | 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) |
| CL2 | C17 | C18 | 110.4° | 117.5° |
| CL2 | C17 | C19 | 112.0° | 117.5° |
| CL2 | C17 | C15 | 112.7° | 115.5° |
| C17 | C18 | C19 | 59.1° | 60.0° |
| C18 | C17 | C19 | 60.6° | 60.0° |
| C18 | C17 | C15 | 125.8° | 117.5° |
| C17 | C18 | H8 | 120.2° | 117.5° |
| C17 | C18 | H9 | 120.2° | 117.5° |
| C18 | C19 | C17 | 60.3° | 60.0° |
| C19 | C18 | H8 | 120.1° | 117.5° |
| C19 | C18 | H9 | 120.1° | 117.5° |
| C18 | C19 | H10 | 119.9° | 117.5° |
| C18 | C19 | H11 | 120.0° | 117.5° |
| C19 | C17 | C15 | 125.5° | 117.5° |
| C17 | C19 | H10 | 120.0° | 117.5° |
| C17 | C19 | H11 | 119.9° | 117.5° |
| C17 | C15 | C12 | 114.4° | 109.5° |
| C17 | C15 | C25 | 110.6° | 109.5° |
| C17 | C15 | O16 | 107.7° | 109.4° |
| C15 | C12 | C3 | 117.0° | 109.5° |
| C12 | C15 | C25 | 108.6° | 109.5° |
| C12 | C15 | O16 | 107.1° | 109.5° |
| C15 | C12 | H5 | 107.6° | 109.5° |
| C15 | C12 | H6 | 107.5° | 109.4° |
| C12 | C3 | C2 | 121.5° | 120.1° |
| C12 | C3 | C4 | 121.3° | 120.0° |
| C3 | C12 | H5 | 107.6° | 109.5° |
| C3 | C12 | H6 | 107.5° | 109.5° |
| CL1 | C2 | C3 | 119.7° | 120.0° |
| CL1 | C2 | C1 | 118.2° | 120.0° |
| C25 | C15 | O16 | 108.2° | 109.5° |
| C15 | C25 | N28 | 110.2° | 109.5° |
| C15 | C25 | H12 | 109.3° | 109.5° |
| C15 | C25 | H13 | 109.3° | 109.5° |
| C15 | O16 | H7 | 109.5° | 113.9° |
| N28 | N29 | C30 | 101.9° | 106.8° |
| N29 | N28 | C25 | 121.0° | 126.8° |
| N29 | N28 | C32 | 109.7° | 106.3° |
| N29 | C30 | N31 | 115.2° | 108.9° |
| N29 | C30 | H14 | 122.4° | 125.5° |
| C25 | N28 | C32 | 129.2° | 126.8° |
| N28 | C25 | H12 | 109.3° | 109.5° |
| N28 | C25 | H13 | 109.3° | 109.5° |
| C2 | C3 | C4 | 117.2° | 119.9° |
| C3 | C2 | C1 | 122.1° | 120.0° |
| C3 | C4 | C5 | 121.4° | 120.0° |
| C3 | C4 | H3 | 119.3° | 120.0° |
| C2 | C1 | C6 | 119.2° | 120.0° |
| C2 | C1 | H4 | 120.4° | 120.0° |
| N28 | C32 | N31 | 110.7° | 108.1° |
| N28 | C32 | H15 | 124.7° | 126.0° |
| C30 | N31 | C32 | 102.6° | 109.8° |
| N31 | C30 | H14 | 122.4° | 125.5° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C4 | C5 | H1 | 119.9° | 120.0° |
| C5 | C4 | H3 | 119.3° | 120.0° |
| C1 | C6 | C5 | 119.9° | 120.0° |
| C1 | C6 | H2 | 120.0° | 120.0° |
| C6 | C1 | H4 | 120.4° | 120.0° |
| N31 | C32 | H15 | 124.7° | 125.9° |
| C6 | C5 | H1 | 120.0° | 120.0° |
| C5 | C6 | H2 | 120.1° | 120.0° |
| H5 | C12 | H6 | 109.5° | 109.4° |
| H8 | C18 | H9 | 109.4° | 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) |
| CL2 | C17 | C18 | C19 | 104.5° | 107.5° |
| CL2 | C17 | C18 | C15 | 141.0° | 145.0° |
| CL2 | C17 | C19 | C15 | 143.2° | 145.0° |
| CL2 | C17 | C15 | C12 | 68.8° | 40.4° |
| CL2 | C17 | C15 | C25 | 54.1° | 79.6° |
| CL2 | C17 | C15 | O16 | 172.3° | 160.4° |
| CL2 | C17 | C18 | H8 | 146.3° | 145.0° |
| CL2 | C17 | C18 | H9 | 4.8° | 0.0° |
| CL2 | C17 | C19 | H10 | 148.7° | 0.0° |
| CL2 | C17 | C19 | H11 | 7.8° | 145.0° |
| C17 | C18 | C19 | H8 | 109.3° | 107.4° |
| C17 | C18 | C19 | H9 | 109.3° | 107.5° |
| C18 | C17 | C19 | C15 | 115.1° | 107.5° |
| C18 | C17 | C15 | C12 | 71.4° | 105.2° |
| C18 | C17 | C15 | C25 | 165.6° | 134.7° |
| C18 | C17 | C15 | O16 | 47.5° | 14.8° |
| C17 | C18 | H8 | H9 | 145.2° | 145.7° |
| C17 | C18 | C19 | H10 | 109.6° | 107.5° |
| C17 | C18 | C19 | H11 | 109.5° | 107.5° |
| C19 | C18 | H8 | H9 | 145.2° | 145.7° |
| C18 | C19 | H10 | H11 | 144.6° | 145.7° |
| C19 | C17 | C15 | C12 | 148.2° | 173.9° |
| C19 | C17 | C15 | C25 | 88.8° | 66.1° |
| C19 | C17 | C15 | O16 | 29.3° | 53.9° |
| C17 | C19 | H10 | H11 | 144.6° | 145.7° |
| C17 | C15 | C12 | C25 | 124.1° | 120.0° |
| C17 | C15 | C12 | O16 | 119.3° | 119.9° |
| C17 | C15 | C12 | C3 | 177.8° | 60.0° |
| C17 | C15 | C25 | O16 | 117.8° | 119.9° |
| C17 | C15 | C25 | N28 | 57.0° | 177.0° |
| C17 | C15 | C12 | H5 | 56.7° | 60.1° |
| C17 | C15 | C12 | H6 | 61.1° | 180.0° |
| C17 | C15 | O16 | H7 | 180.0° | 180.0° |
| C15 | C17 | C18 | H8 | 5.3° | 0.0° |
| C15 | C17 | C18 | H9 | 136.2° | 145.0° |
| C15 | C17 | C19 | H10 | 5.5° | 145.0° |
| C15 | C17 | C19 | H11 | 135.4° | 0.0° |
| C17 | C15 | C25 | H12 | 63.1° | 57.0° |
| C17 | C15 | C25 | H13 | 177.2° | 63.1° |
| C15 | C12 | C3 | H5 | 121.1° | 120.1° |
| C15 | C12 | C3 | H6 | 121.1° | 120.0° |
| C12 | C15 | C25 | O16 | 115.9° | 120.0° |
| C12 | C15 | C25 | N28 | 176.7° | 63.0° |
| C15 | C12 | C3 | C2 | 95.6° | 85.0° |
| C15 | C12 | C3 | C4 | 85.0° | 95.8° |
| C15 | C12 | H5 | H6 | 116.6° | 119.9° |
| C12 | C15 | O16 | H7 | 56.5° | 60.0° |
| C12 | C15 | C25 | H12 | 63.1° | 177.0° |
| C12 | C15 | C25 | H13 | 56.6° | 57.0° |
| C12 | C3 | C2 | CL1 | 0.7° | 0.5° |
| C3 | C12 | C15 | C25 | 53.8° | 180.0° |
| C3 | C12 | C15 | O16 | 62.9° | 59.9° |
| C12 | C3 | C2 | C4 | 179.4° | 179.2° |
| C12 | C3 | C2 | C1 | 179.9° | 180.0° |
| C12 | C3 | C4 | C5 | 179.5° | 179.7° |
| C12 | C3 | C4 | H3 | 0.5° | 0.2° |
| C3 | C12 | H5 | H6 | 116.6° | 120.0° |
| CL1 | C2 | C3 | C1 | 179.4° | 179.5° |
| CL1 | C2 | C3 | C4 | 178.7° | 179.7° |
| CL1 | C2 | C1 | C6 | 178.8° | 180.0° |
| CL1 | C2 | C1 | H4 | 1.2° | 0.5° |
| C15 | C25 | N28 | N29 | 113.2° | 57.4° |
| C15 | C25 | N28 | H12 | 120.1° | 120.0° |
| C15 | C25 | N28 | H13 | 120.1° | 120.0° |
| C15 | C25 | N28 | C32 | 63.1° | 122.3° |
| C25 | C15 | C12 | H5 | 67.3° | 60.0° |
| C25 | C15 | C12 | H6 | 174.9° | 60.0° |
| C25 | C15 | O16 | H7 | 60.4° | 60.1° |
| C15 | C25 | H12 | H13 | 119.6° | 120.0° |
| O16 | C15 | C25 | N28 | 60.8° | 57.0° |
| O16 | C15 | C12 | H5 | 176.0° | 180.0° |
| O16 | C15 | C12 | H6 | 58.2° | 60.1° |
| O16 | C15 | C25 | H12 | 179.1° | 63.0° |
| O16 | C15 | C25 | H13 | 59.4° | 177.0° |
| N29 | N28 | C25 | C32 | 176.4° | 179.7° |
| N28 | N29 | C30 | N31 | 0.3° | 0.0° |
| N29 | N28 | C32 | N31 | 0.7° | 0.4° |
| N29 | N28 | C25 | H12 | 6.9° | 177.4° |
| N29 | N28 | C25 | H13 | 126.7° | 62.6° |
| N28 | N29 | C30 | H14 | 179.8° | 179.9° |
| N29 | N28 | C32 | H15 | 179.3° | 179.8° |
| C30 | N29 | N28 | C25 | 176.7° | 180.0° |
| C30 | N29 | N28 | C32 | 0.3° | 0.2° |
| N29 | C30 | N31 | H14 | 180.0° | 179.9° |
| N29 | C30 | N31 | C32 | 0.7° | 0.3° |
| C25 | N28 | C32 | N31 | 176.0° | 179.9° |
| N28 | C25 | H12 | H13 | 119.7° | 120.0° |
| C25 | N28 | C32 | H15 | 4.0° | 0.1° |
| C2 | C3 | C4 | C5 | 0.1° | 0.5° |
| C3 | C2 | C1 | C6 | 0.6° | 0.5° |
| C2 | C3 | C4 | H3 | 179.9° | 179.4° |
| C3 | C2 | C1 | H4 | 179.4° | 180.0° |
| C2 | C3 | C12 | H5 | 25.5° | 155.0° |
| C2 | C3 | C12 | H6 | 143.3° | 35.0° |
| C4 | C3 | C2 | C1 | 0.7° | 0.8° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.1° |
| C3 | C4 | C5 | H1 | 179.6° | 179.7° |
| C4 | C3 | C12 | H5 | 153.9° | 24.2° |
| C4 | C3 | C12 | H6 | 36.1° | 144.2° |
| C2 | C1 | C6 | H4 | 180.0° | 179.5° |
| C2 | C1 | C6 | C5 | 0.0° | 0.1° |
| C2 | C1 | C6 | H2 | 180.0° | 180.0° |
| N28 | C32 | N31 | C30 | 0.8° | 0.4° |
| N28 | C32 | N31 | H15 | 180.0° | 179.8° |
| C32 | N28 | C25 | H12 | 176.8° | 2.3° |
| C32 | N28 | C25 | H13 | 57.0° | 117.7° |
| C30 | N31 | C32 | H15 | 179.2° | 179.8° |
| C4 | C5 | C6 | C1 | 0.5° | 0.4° |
| C4 | C5 | C6 | H1 | 180.0° | 179.7° |
| C4 | C5 | C6 | H2 | 179.5° | 179.7° |
| C1 | C6 | C5 | H2 | 180.0° | 179.9° |
| C1 | C6 | C5 | H1 | 179.5° | 180.0° |
| C32 | N31 | C30 | H14 | 179.3° | 179.8° |
| C6 | C5 | C4 | H3 | 179.6° | 180.0° |
| C5 | C6 | C1 | H4 | 180.0° | 179.4° |
| H1 | C5 | C6 | H2 | 0.5° | 0.1° |
| H1 | C5 | C4 | H3 | 0.4° | 0.4° |
| H2 | C6 | C1 | H4 | 0.0° | 0.5° |
| H8 | C18 | C19 | H10 | 0.3° | 145.1° |
| H8 | C18 | C19 | H11 | 141.2° | 0.0° |
| H9 | C18 | C19 | H10 | 141.2° | 0.0° |
| H9 | C18 | C19 | H11 | 0.3° | 145.0° |
