P3L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C11 | doub | 1.21Å | 1.23Å | |
| C11 | N1 | sing | 1.33Å | 1.33Å | |
| C11 | C12 | sing | 1.50Å | 1.50Å | |
| N1 | C10 | sing | 1.46Å | 1.48Å | |
| C12 | C8 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | N | sing | 1.46Å | 1.46Å | |
| CL | C | sing | 1.74Å | 1.74Å | |
| O1 | C7 | doub | 1.21Å | 1.23Å | |
| N | C7 | sing | 1.35Å | 1.34Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C6 | sing | 1.51Å | 1.52Å | |
| C13 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | O | sing | 1.36Å | 1.37Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | O | sing | 1.43Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C1 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C11 | N1 | 121.7° | 118.3° |
| O2 | C11 | C12 | 120.7° | 118.3° |
| N1 | C11 | C12 | 117.6° | 123.5° |
| C11 | N1 | C10 | 127.0° | 124.1° |
| C11 | N1 | H1 | 116.5° | 117.9° |
| C11 | C12 | C8 | 109.4° | 109.8° |
| C11 | C12 | H12 | 109.5° | 109.4° |
| C11 | C12 | H13 | 109.5° | 109.4° |
| N1 | C10 | C9 | 110.8° | 110.5° |
| C10 | N1 | H1 | 116.5° | 118.0° |
| N1 | C10 | H8 | 109.1° | 109.3° |
| N1 | C10 | H9 | 109.2° | 109.3° |
| C12 | C8 | C9 | 109.8° | 108.1° |
| C12 | C8 | N | 111.4° | 109.6° |
| C12 | C8 | H7 | 107.5° | 110.1° |
| C8 | C12 | H12 | 109.5° | 109.1° |
| C8 | C12 | H13 | 109.5° | 109.8° |
| C10 | C9 | C8 | 110.5° | 108.7° |
| C9 | C10 | H8 | 109.1° | 109.3° |
| C9 | C10 | H9 | 109.1° | 109.3° |
| C10 | C9 | H10 | 109.2° | 109.9° |
| C10 | C9 | H11 | 109.2° | 109.3° |
| C9 | C8 | N | 112.1° | 109.7° |
| C9 | C8 | H7 | 107.6° | 109.7° |
| C8 | C9 | H10 | 109.2° | 109.6° |
| C8 | C9 | H11 | 109.2° | 109.6° |
| C8 | N | C7 | 122.2° | 120.0° |
| N | C8 | H7 | 108.3° | 109.7° |
| C8 | N | H14 | 118.9° | 120.0° |
| CL | C | C14 | 119.1° | 120.0° |
| CL | C | C1 | 119.1° | 120.0° |
| O1 | C7 | N | 122.4° | 120.0° |
| O1 | C7 | C6 | 122.4° | 120.0° |
| N | C7 | C6 | 115.1° | 120.0° |
| C7 | N | H14 | 118.9° | 120.0° |
| C7 | C6 | C13 | 108.1° | 109.4° |
| C7 | C6 | C5 | 109.6° | 109.5° |
| C7 | C6 | H6 | 109.3° | 109.4° |
| C14 | C | C1 | 121.8° | 119.9° |
| C | C14 | C13 | 119.7° | 120.3° |
| C | C14 | H15 | 120.2° | 119.9° |
| C | C1 | C2 | 119.2° | 120.0° |
| C | C1 | H17 | 120.4° | 120.0° |
| C14 | C13 | C6 | 121.8° | 118.8° |
| C14 | C13 | C3 | 118.1° | 119.8° |
| C13 | C14 | H15 | 120.1° | 119.8° |
| C1 | C2 | C3 | 119.8° | 120.3° |
| C1 | C2 | H16 | 120.1° | 119.9° |
| C2 | C1 | H17 | 120.4° | 120.1° |
| C6 | C13 | C3 | 120.0° | 121.4° |
| C13 | C6 | C5 | 111.2° | 109.7° |
| C13 | C6 | H6 | 109.4° | 109.4° |
| C13 | C3 | C2 | 121.3° | 119.7° |
| C13 | C3 | O | 123.1° | 121.8° |
| C6 | C5 | C4 | 109.9° | 108.3° |
| C6 | C5 | H4 | 109.3° | 109.7° |
| C6 | C5 | H5 | 109.4° | 109.7° |
| C5 | C6 | H6 | 109.2° | 109.4° |
| C2 | C3 | O | 115.5° | 118.5° |
| C3 | C2 | H16 | 120.1° | 119.9° |
| C3 | O | C4 | 115.6° | 117.9° |
| C5 | C4 | O | 111.3° | 108.3° |
| C5 | C4 | H2 | 109.0° | 109.7° |
| C5 | C4 | H3 | 109.0° | 109.8° |
| C4 | C5 | H4 | 109.3° | 109.7° |
| C4 | C5 | H5 | 109.3° | 109.8° |
| O | C4 | H2 | 109.0° | 109.6° |
| O | C4 | H3 | 109.0° | 109.7° |
| H2 | C4 | H3 | 109.5° | 109.7° |
| H4 | C5 | H5 | 109.5° | 109.7° |
| H8 | C10 | H9 | 109.5° | 109.1° |
| H10 | C9 | H11 | 109.5° | 109.8° |
| H12 | C12 | H13 | 109.4° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C11 | N1 | C12 | 177.4° | 180.0° |
| O2 | C11 | N1 | C10 | 155.0° | 177.8° |
| O2 | C11 | C12 | C8 | 139.8° | 162.0° |
| O2 | C11 | N1 | H1 | 25.0° | 2.5° |
| O2 | C11 | C12 | H12 | 100.2° | 42.4° |
| O2 | C11 | C12 | H13 | 19.8° | 77.4° |
| C11 | N1 | C10 | H1 | 180.0° | 179.7° |
| N1 | C11 | C12 | C8 | 37.6° | 18.0° |
| C11 | N1 | C10 | C9 | 24.2° | 18.8° |
| C11 | N1 | C10 | H8 | 96.0° | 101.5° |
| C11 | N1 | C10 | H9 | 144.4° | 139.1° |
| N1 | C11 | C12 | H12 | 82.4° | 137.7° |
| N1 | C11 | C12 | H13 | 157.6° | 102.6° |
| C12 | C11 | N1 | C10 | 22.4° | 2.2° |
| C11 | C12 | C8 | H12 | 120.0° | 119.9° |
| C11 | C12 | C8 | H13 | 120.0° | 120.4° |
| C11 | C12 | C8 | C9 | 57.7° | 49.4° |
| C11 | C12 | C8 | N | 177.6° | 168.9° |
| C12 | C11 | N1 | H1 | 157.6° | 177.5° |
| C11 | C12 | C8 | H7 | 59.1° | 70.4° |
| C11 | C12 | H12 | H13 | 120.0° | 119.8° |
| N1 | C10 | C9 | H8 | 120.2° | 120.3° |
| N1 | C10 | C9 | H9 | 120.2° | 120.4° |
| N1 | C10 | C9 | C8 | 42.2° | 50.8° |
| N1 | C10 | H8 | H9 | 119.4° | 119.5° |
| N1 | C10 | C9 | H10 | 162.4° | 69.2° |
| N1 | C10 | C9 | H11 | 77.9° | 170.3° |
| C12 | C8 | C9 | C10 | 61.8° | 67.8° |
| C12 | C8 | C9 | N | 124.3° | 119.4° |
| C12 | C8 | C9 | H7 | 116.7° | 120.0° |
| C12 | C8 | N | H7 | 118.0° | 120.9° |
| C12 | C8 | N | C7 | 94.7° | 86.5° |
| C12 | C8 | C9 | H10 | 178.0° | 52.2° |
| C12 | C8 | C9 | H11 | 58.4° | 172.8° |
| C8 | C12 | H12 | H13 | 120.0° | 120.1° |
| C12 | C8 | N | H14 | 85.3° | 93.6° |
| C10 | C9 | C8 | H10 | 120.2° | 120.1° |
| C10 | C9 | C8 | H11 | 120.2° | 119.4° |
| C10 | C9 | C8 | N | 173.9° | 172.7° |
| C9 | C10 | N1 | H1 | 155.8° | 160.9° |
| C10 | C9 | C8 | H7 | 54.9° | 52.2° |
| C9 | C10 | H8 | H9 | 119.4° | 119.5° |
| C10 | C9 | H10 | H11 | 119.5° | 120.2° |
| C9 | C8 | N | H7 | 118.6° | 120.6° |
| C9 | C8 | N | C7 | 141.9° | 155.0° |
| C8 | C9 | C10 | H8 | 78.0° | 69.6° |
| C8 | C9 | C10 | H9 | 162.4° | 171.1° |
| C8 | C9 | H10 | H11 | 119.5° | 120.4° |
| C9 | C8 | C12 | H12 | 62.3° | 169.3° |
| C9 | C8 | C12 | H13 | 177.7° | 71.0° |
| C9 | C8 | N | H14 | 38.1° | 24.9° |
| C8 | N | C7 | O1 | 8.3° | 5.0° |
| C8 | N | C7 | H14 | 180.0° | 179.9° |
| C8 | N | C7 | C6 | 168.8° | 175.0° |
| N | C8 | C9 | H10 | 53.7° | 67.2° |
| N | C8 | C9 | H11 | 65.9° | 53.3° |
| N | C8 | C12 | H12 | 62.4° | 71.2° |
| N | C8 | C12 | H13 | 57.6° | 48.5° |
| CL | C | C14 | C1 | 179.9° | 179.9° |
| CL | C | C14 | C13 | 179.8° | 180.0° |
| CL | C | C1 | C2 | 179.3° | 180.0° |
| CL | C | C14 | H15 | 0.2° | 0.1° |
| CL | C | C1 | H17 | 0.7° | 0.1° |
| O1 | C7 | N | C6 | 177.2° | 179.9° |
| O1 | C7 | C6 | C13 | 19.7° | 84.3° |
| O1 | C7 | C6 | C5 | 101.6° | 35.9° |
| O1 | C7 | C6 | H6 | 138.8° | 155.9° |
| O1 | C7 | N | H14 | 171.6° | 175.0° |
| N | C7 | C6 | C13 | 163.1° | 95.7° |
| N | C7 | C6 | C5 | 75.6° | 144.1° |
| N | C7 | C6 | H6 | 44.0° | 24.2° |
| C7 | N | C8 | H7 | 23.4° | 34.4° |
| C7 | C6 | C13 | C14 | 76.1° | 42.1° |
| C7 | C6 | C13 | C5 | 120.4° | 120.1° |
| C7 | C6 | C13 | H6 | 119.0° | 119.9° |
| C7 | C6 | C13 | C3 | 101.3° | 137.9° |
| C7 | C6 | C5 | H6 | 119.7° | 119.9° |
| C7 | C6 | C5 | C4 | 75.4° | 168.3° |
| C7 | C6 | C5 | H4 | 44.7° | 72.0° |
| C7 | C6 | C5 | H5 | 164.5° | 48.5° |
| C6 | C7 | N | H14 | 11.2° | 5.1° |
| C | C14 | C13 | H15 | 180.0° | 179.9° |
| C14 | C | C1 | C2 | 0.8° | 0.1° |
| C | C14 | C13 | C6 | 176.5° | 179.9° |
| C | C14 | C13 | C3 | 1.0° | 0.1° |
| C14 | C | C1 | H17 | 179.2° | 179.8° |
| C1 | C | C14 | C13 | 0.3° | 0.1° |
| C | C1 | C2 | H17 | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 0.0° | 0.0° |
| C1 | C | C14 | H15 | 179.7° | 180.0° |
| C | C1 | C2 | H16 | 180.0° | 180.0° |
| C14 | C13 | C6 | C3 | 177.4° | 180.0° |
| C14 | C13 | C6 | C5 | 163.5° | 162.2° |
| C14 | C13 | C3 | C2 | 1.8° | 0.2° |
| C14 | C13 | C3 | O | 174.5° | 179.6° |
| C14 | C13 | C6 | H6 | 42.9° | 77.7° |
| C1 | C2 | C3 | C13 | 1.3° | 0.2° |
| C1 | C2 | C3 | H16 | 180.0° | 180.0° |
| C1 | C2 | C3 | O | 175.2° | 179.7° |
| C13 | C6 | C5 | H6 | 120.8° | 120.1° |
| C6 | C13 | C3 | C2 | 175.7° | 179.8° |
| C6 | C13 | C3 | O | 8.0° | 0.4° |
| C13 | C6 | C5 | C4 | 44.1° | 48.3° |
| C13 | C6 | C5 | H4 | 164.1° | 167.9° |
| C13 | C6 | C5 | H5 | 76.0° | 71.5° |
| C6 | C13 | C14 | H15 | 3.5° | 0.2° |
| C3 | C13 | C6 | C5 | 19.1° | 17.8° |
| C13 | C3 | C2 | O | 176.5° | 179.8° |
| C13 | C3 | O | C4 | 23.4° | 17.2° |
| C3 | C13 | C6 | H6 | 139.7° | 102.3° |
| C3 | C13 | C14 | H15 | 179.0° | 179.8° |
| C13 | C3 | C2 | H16 | 178.7° | 179.8° |
| C6 | C5 | C4 | H4 | 120.0° | 119.7° |
| C6 | C5 | C4 | H5 | 120.1° | 119.7° |
| C6 | C5 | C4 | O | 60.7° | 64.8° |
| C6 | C5 | C4 | H2 | 59.6° | 175.6° |
| C6 | C5 | C4 | H3 | 179.0° | 55.0° |
| C6 | C5 | H4 | H5 | 119.8° | 120.6° |
| C2 | C3 | O | C4 | 160.2° | 163.0° |
| C3 | C2 | C1 | H17 | 180.0° | 180.0° |
| C3 | O | C4 | C5 | 49.9° | 49.2° |
| C3 | O | C4 | H2 | 70.4° | 168.9° |
| C3 | O | C4 | H3 | 170.2° | 70.6° |
| O | C3 | C2 | H16 | 4.8° | 0.3° |
| C5 | C4 | O | H2 | 120.3° | 119.7° |
| C5 | C4 | O | H3 | 120.3° | 119.8° |
| C5 | C4 | H2 | H3 | 119.2° | 120.6° |
| C4 | C5 | H4 | H5 | 119.8° | 120.6° |
| C4 | C5 | C6 | H6 | 164.9° | 71.8° |
| O | C4 | H2 | H3 | 119.2° | 120.5° |
| O | C4 | C5 | H4 | 179.3° | 175.5° |
| O | C4 | C5 | H5 | 59.4° | 55.0° |
| H1 | N1 | C10 | H8 | 84.0° | 78.8° |
| H1 | N1 | C10 | H9 | 35.6° | 40.5° |
| H2 | C4 | C5 | H4 | 60.5° | 55.9° |
| H2 | C4 | C5 | H5 | 179.7° | 64.7° |
| H3 | C4 | C5 | H4 | 59.0° | 64.7° |
| H3 | C4 | C5 | H5 | 60.9° | 174.7° |
| H4 | C5 | C6 | H6 | 75.0° | 47.9° |
| H5 | C5 | C6 | H6 | 44.8° | 168.4° |
| H7 | C8 | C9 | H10 | 65.2° | 172.3° |
| H7 | C8 | C9 | H11 | 175.1° | 67.2° |
| H7 | C8 | C12 | H12 | 179.1° | 49.5° |
| H7 | C8 | C12 | H13 | 60.9° | 169.2° |
| H7 | C8 | N | H14 | 156.6° | 145.5° |
| H8 | C10 | C9 | H10 | 42.2° | 170.5° |
| H8 | C10 | C9 | H11 | 161.9° | 50.0° |
| H9 | C10 | C9 | H10 | 77.4° | 51.2° |
| H9 | C10 | C9 | H11 | 42.3° | 69.3° |
| H16 | C2 | C1 | H17 | 0.0° | 0.1° |
