P7L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S01 | C12 | sing | 1.76Å | 1.73Å | Aromatic |
| S01 | C19 | sing | 1.76Å | 1.73Å | Aromatic |
| C12 | C18 | doub | 1.33Å | 1.38Å | Aromatic |
| C19 | C23 | sing | 1.51Å | 1.51Å | |
| C19 | C09 | doub | 1.33Å | 1.38Å | Aromatic |
| C23 | N02 | sing | 1.47Å | 1.46Å | |
| C18 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | CL01 | sing | 1.74Å | 1.84Å | |
| N02 | C16 | sing | 1.40Å | 1.41Å | |
| N02 | C20 | sing | 1.35Å | 1.36Å | |
| O01 | C20 | doub | 1.21Å | 1.24Å | |
| C05 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C05 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C22 | sing | 1.51Å | 1.55Å | |
| C07 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | C01 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | C04 | sing | 1.36Å | 1.42Å | Aromatic |
| C01 | C03 | sing | 1.36Å | 1.40Å | Aromatic |
| C04 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C06 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | O02 | sing | 1.36Å | 1.37Å | |
| C03 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.42Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.38Å | Aromatic |
| O02 | C21 | sing | 1.43Å | 1.42Å | |
| C22 | C15 | sing | 1.51Å | 1.54Å | |
| C13 | C10 | sing | 1.40Å | 1.37Å | Aromatic |
| C15 | C11 | doub | 1.36Å | 1.38Å | Aromatic |
| C10 | N01 | doub | 1.31Å | 1.33Å | Aromatic |
| C11 | N01 | sing | 1.33Å | 1.35Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.08Å | 1.08Å | |
| C05 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.08Å | 1.08Å | |
| C02 | H17 | sing | 1.08Å | 1.08Å | |
| C03 | H18 | sing | 1.08Å | 1.08Å | |
| C01 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | S01 | C19 | 96.3° | 91.0° |
| S01 | C12 | C18 | 103.8° | 109.6° |
| S01 | C12 | H3 | 128.1° | 125.2° |
| S01 | C19 | C23 | 119.4° | 125.2° |
| S01 | C19 | C09 | 108.7° | 109.6° |
| C12 | C18 | C09 | 119.9° | 114.9° |
| C12 | C18 | CL01 | 122.7° | 122.6° |
| C18 | C12 | H3 | 128.1° | 125.2° |
| C23 | C19 | C09 | 131.8° | 125.2° |
| C19 | C23 | N02 | 107.1° | 109.4° |
| C19 | C23 | H5 | 110.1° | 109.5° |
| C19 | C23 | H6 | 110.1° | 109.4° |
| C19 | C09 | C18 | 111.2° | 114.9° |
| C19 | C09 | H4 | 124.4° | 122.5° |
| C23 | N02 | C16 | 113.9° | 120.0° |
| C23 | N02 | C20 | 121.1° | 120.0° |
| N02 | C23 | H5 | 110.1° | 109.5° |
| N02 | C23 | H6 | 110.1° | 109.4° |
| C09 | C18 | CL01 | 117.3° | 122.5° |
| C18 | C09 | H4 | 124.4° | 122.6° |
| C16 | N02 | C20 | 125.0° | 120.0° |
| N02 | C16 | C05 | 116.9° | 120.0° |
| N02 | C16 | C06 | 123.8° | 120.0° |
| N02 | C20 | O01 | 118.6° | 120.0° |
| N02 | C20 | C22 | 122.0° | 120.0° |
| O01 | C20 | C22 | 119.4° | 120.0° |
| C16 | C05 | C07 | 120.5° | 120.0° |
| C05 | C16 | C06 | 119.1° | 120.0° |
| C16 | C05 | H13 | 119.7° | 120.0° |
| C05 | C07 | C17 | 119.7° | 120.0° |
| C05 | C07 | H12 | 120.1° | 120.0° |
| C07 | C05 | H13 | 119.7° | 120.0° |
| C16 | C06 | C08 | 120.7° | 120.0° |
| C16 | C06 | H7 | 119.6° | 120.0° |
| C20 | C22 | C15 | 111.3° | 109.4° |
| C20 | C22 | H14 | 109.0° | 109.5° |
| C20 | C22 | H15 | 109.0° | 109.5° |
| C07 | C17 | C08 | 120.4° | 120.0° |
| C07 | C17 | O02 | 117.0° | 120.0° |
| C17 | C07 | H12 | 120.2° | 120.0° |
| C01 | C02 | C04 | 118.0° | 121.0° |
| C02 | C01 | C03 | 122.1° | 121.1° |
| C01 | C02 | H17 | 121.0° | 119.5° |
| C02 | C01 | H19 | 119.0° | 119.5° |
| C02 | C04 | C14 | 119.9° | 119.5° |
| C02 | C04 | H16 | 120.1° | 120.2° |
| C04 | C02 | H17 | 121.0° | 119.5° |
| C01 | C03 | C13 | 119.0° | 119.5° |
| C01 | C03 | H18 | 120.5° | 120.3° |
| C03 | C01 | H19 | 118.9° | 119.4° |
| C04 | C14 | C13 | 120.2° | 119.5° |
| C04 | C14 | C15 | 120.6° | 122.3° |
| C14 | C04 | H16 | 120.1° | 120.3° |
| C06 | C08 | C17 | 119.5° | 120.1° |
| C08 | C06 | H7 | 119.7° | 120.1° |
| C06 | C08 | H8 | 120.2° | 120.0° |
| C08 | C17 | O02 | 122.5° | 120.0° |
| C17 | C08 | H8 | 120.3° | 120.0° |
| C17 | O02 | C21 | 122.3° | 117.0° |
| C03 | C13 | C14 | 120.9° | 119.4° |
| C03 | C13 | C10 | 118.7° | 122.1° |
| C13 | C03 | H18 | 120.5° | 120.3° |
| C13 | C14 | C15 | 119.2° | 118.2° |
| C14 | C13 | C10 | 120.5° | 118.5° |
| C14 | C15 | C22 | 123.1° | 120.6° |
| C14 | C15 | C11 | 117.9° | 118.7° |
| O02 | C21 | H9 | 109.5° | 109.4° |
| O02 | C21 | H10 | 109.5° | 109.5° |
| O02 | C21 | H11 | 109.5° | 109.5° |
| C22 | C15 | C11 | 118.9° | 120.7° |
| C15 | C22 | H14 | 109.0° | 109.5° |
| C15 | C22 | H15 | 109.0° | 109.4° |
| C13 | C10 | N01 | 119.4° | 119.9° |
| C13 | C10 | H1 | 120.3° | 120.1° |
| C15 | C11 | N01 | 121.5° | 121.9° |
| C15 | C11 | H2 | 119.3° | 119.1° |
| C10 | N01 | C11 | 121.4° | 122.8° |
| N01 | C10 | H1 | 120.3° | 120.0° |
| N01 | C11 | H2 | 119.2° | 119.1° |
| H5 | C23 | H6 | 109.4° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H9 | C21 | H11 | 109.4° | 109.4° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S01 | C12 | C18 | H3 | 180.0° | 179.8° |
| C12 | S01 | C19 | C23 | 178.8° | 180.0° |
| C12 | S01 | C19 | C09 | 0.9° | 0.3° |
| S01 | C12 | C18 | C09 | 0.2° | 0.2° |
| S01 | C12 | C18 | CL01 | 178.8° | 179.7° |
| C19 | S01 | C12 | C18 | 0.4° | 0.0° |
| S01 | C19 | C23 | C09 | 179.7° | 179.7° |
| S01 | C19 | C23 | N02 | 172.8° | 90.0° |
| S01 | C19 | C09 | C18 | 1.1° | 0.4° |
| C19 | S01 | C12 | H3 | 179.6° | 179.8° |
| S01 | C19 | C09 | H4 | 178.9° | 180.0° |
| S01 | C19 | C23 | H5 | 53.1° | 30.0° |
| S01 | C19 | C23 | H6 | 67.6° | 150.1° |
| C12 | C18 | C09 | C19 | 0.8° | 0.4° |
| C12 | C18 | C09 | CL01 | 178.7° | 179.9° |
| C12 | C18 | C09 | H4 | 179.2° | 180.0° |
| C19 | C23 | N02 | H5 | 119.6° | 120.0° |
| C19 | C23 | N02 | H6 | 119.7° | 119.9° |
| C23 | C19 | C09 | C18 | 178.6° | 179.8° |
| C19 | C23 | N02 | C16 | 85.9° | 90.0° |
| C19 | C23 | N02 | C20 | 93.7° | 89.9° |
| C23 | C19 | C09 | H4 | 1.4° | 0.2° |
| C19 | C23 | H5 | H6 | 121.1° | 120.0° |
| C09 | C19 | C23 | N02 | 7.6° | 90.3° |
| C19 | C09 | C18 | H4 | 180.0° | 179.6° |
| C19 | C09 | C18 | CL01 | 179.6° | 179.5° |
| C09 | C19 | C23 | H5 | 127.2° | 149.7° |
| C09 | C19 | C23 | H6 | 112.1° | 29.6° |
| C23 | N02 | C16 | C20 | 179.6° | 180.0° |
| C23 | N02 | C20 | O01 | 1.1° | 175.2° |
| C23 | N02 | C16 | C05 | 78.7° | 66.9° |
| C23 | N02 | C16 | C06 | 96.5° | 112.9° |
| C23 | N02 | C20 | C22 | 178.6° | 4.8° |
| N02 | C23 | H5 | H6 | 121.1° | 120.0° |
| C09 | C18 | C12 | H3 | 179.8° | 180.0° |
| CL01 | C18 | C12 | H3 | 1.2° | 0.1° |
| CL01 | C18 | C09 | H4 | 0.4° | 0.1° |
| C16 | N02 | C20 | O01 | 178.5° | 4.8° |
| N02 | C16 | C05 | C06 | 175.5° | 179.8° |
| N02 | C16 | C05 | C07 | 177.2° | 179.7° |
| C16 | N02 | C20 | C22 | 1.9° | 175.2° |
| N02 | C16 | C06 | C08 | 177.9° | 180.0° |
| C16 | N02 | C23 | H5 | 33.7° | 30.0° |
| C16 | N02 | C23 | H6 | 154.5° | 150.1° |
| N02 | C16 | C06 | H7 | 2.1° | 0.0° |
| N02 | C16 | C05 | H13 | 2.9° | 0.0° |
| N02 | C20 | O01 | C22 | 179.6° | 180.0° |
| C20 | N02 | C16 | C05 | 101.7° | 113.1° |
| C20 | N02 | C16 | C06 | 83.0° | 67.1° |
| N02 | C20 | C22 | C15 | 159.6° | 180.0° |
| C20 | N02 | C23 | H5 | 146.7° | 150.0° |
| C20 | N02 | C23 | H6 | 26.0° | 29.9° |
| N02 | C20 | C22 | H14 | 80.1° | 60.0° |
| N02 | C20 | C22 | H15 | 39.3° | 60.1° |
| O01 | C20 | C22 | C15 | 20.1° | 0.0° |
| O01 | C20 | C22 | H14 | 100.2° | 120.0° |
| O01 | C20 | C22 | H15 | 140.3° | 119.9° |
| C16 | C05 | C07 | H13 | 180.0° | 179.7° |
| C16 | C05 | C07 | C17 | 0.8° | 0.5° |
| C05 | C16 | C06 | C08 | 2.8° | 0.2° |
| C05 | C16 | C06 | H7 | 177.2° | 179.8° |
| C16 | C05 | C07 | H12 | 179.2° | 179.7° |
| C07 | C05 | C16 | C06 | 1.7° | 0.5° |
| C05 | C07 | C17 | H12 | 180.0° | 179.8° |
| C05 | C07 | C17 | C08 | 2.3° | 0.3° |
| C05 | C07 | C17 | O02 | 178.9° | 179.7° |
| C16 | C06 | C08 | H7 | 180.0° | 180.0° |
| C16 | C06 | C08 | C17 | 1.3° | 0.0° |
| C16 | C06 | C08 | H8 | 178.7° | 180.0° |
| C06 | C16 | C05 | H13 | 178.3° | 179.7° |
| C20 | C22 | C15 | C14 | 74.7° | 85.6° |
| C20 | C22 | C15 | H14 | 120.3° | 120.0° |
| C20 | C22 | C15 | H15 | 120.3° | 119.9° |
| C20 | C22 | C15 | C11 | 102.2° | 95.0° |
| C20 | C22 | H14 | H15 | 119.2° | 120.0° |
| C07 | C17 | C08 | C06 | 1.2° | 0.0° |
| C07 | C17 | C08 | O02 | 178.8° | 180.0° |
| C07 | C17 | O02 | C21 | 140.0° | 0.0° |
| C07 | C17 | C08 | H8 | 178.8° | 179.9° |
| C17 | C07 | C05 | H13 | 179.2° | 179.7° |
| C01 | C02 | C04 | H17 | 180.0° | 179.9° |
| C02 | C01 | C03 | H19 | 180.0° | 179.9° |
| C01 | C02 | C04 | C14 | 0.8° | 0.1° |
| C02 | C01 | C03 | C13 | 1.1° | 0.2° |
| C01 | C02 | C04 | H16 | 179.2° | 180.0° |
| C02 | C01 | C03 | H18 | 178.9° | 180.0° |
| C04 | C02 | C01 | C03 | 1.2° | 0.1° |
| C02 | C04 | C14 | H16 | 180.0° | 180.0° |
| C02 | C04 | C14 | C13 | 0.3° | 0.0° |
| C02 | C04 | C14 | C15 | 179.6° | 179.5° |
| C04 | C02 | C01 | H19 | 178.8° | 180.0° |
| C01 | C03 | C13 | H18 | 180.0° | 179.9° |
| C01 | C03 | C13 | C14 | 0.5° | 0.1° |
| C01 | C03 | C13 | C10 | 180.0° | 180.0° |
| C03 | C01 | C02 | H17 | 178.8° | 180.0° |
| C04 | C14 | C13 | C03 | 0.2° | 0.1° |
| C04 | C14 | C13 | C15 | 179.8° | 179.5° |
| C04 | C14 | C15 | C22 | 1.4° | 0.3° |
| C04 | C14 | C13 | C10 | 179.6° | 180.0° |
| C04 | C14 | C15 | C11 | 178.3° | 179.8° |
| C14 | C04 | C02 | H17 | 179.2° | 180.0° |
| C06 | C08 | C17 | H8 | 180.0° | 179.9° |
| C06 | C08 | C17 | O02 | 180.0° | 180.0° |
| C08 | C17 | O02 | C21 | 38.8° | 180.0° |
| C17 | C08 | C06 | H7 | 178.7° | 180.0° |
| C08 | C17 | C07 | H12 | 177.7° | 180.0° |
| O02 | C17 | C08 | H8 | 0.0° | 0.0° |
| C17 | O02 | C21 | H9 | 180.0° | 180.0° |
| C17 | O02 | C21 | H10 | 60.0° | 60.0° |
| C17 | O02 | C21 | H11 | 60.0° | 60.1° |
| O02 | C17 | C07 | H12 | 1.1° | 0.0° |
| C03 | C13 | C14 | C10 | 179.5° | 179.9° |
| C03 | C13 | C14 | C15 | 179.7° | 179.4° |
| C03 | C13 | C10 | N01 | 179.7° | 180.0° |
| C03 | C13 | C10 | H1 | 0.3° | 0.4° |
| C13 | C03 | C01 | H19 | 178.9° | 180.0° |
| C13 | C14 | C15 | C22 | 178.8° | 179.8° |
| C13 | C14 | C15 | C11 | 1.8° | 0.7° |
| C14 | C13 | C10 | N01 | 0.8° | 0.1° |
| C14 | C13 | C10 | H1 | 179.2° | 179.8° |
| C13 | C14 | C04 | H16 | 179.7° | 180.0° |
| C14 | C13 | C03 | H18 | 179.5° | 180.0° |
| C14 | C15 | C22 | C11 | 176.9° | 179.4° |
| C15 | C14 | C13 | C10 | 0.2° | 0.5° |
| C14 | C15 | C11 | N01 | 3.4° | 0.5° |
| C14 | C15 | C11 | H2 | 176.6° | 179.4° |
| C14 | C15 | C22 | H14 | 165.0° | 34.4° |
| C14 | C15 | C22 | H15 | 45.6° | 154.5° |
| C15 | C14 | C04 | H16 | 0.4° | 0.5° |
| O02 | C21 | H9 | H10 | 120.0° | 120.0° |
| O02 | C21 | H9 | H11 | 120.0° | 120.0° |
| O02 | C21 | H10 | H11 | 120.0° | 120.1° |
| C22 | C15 | C11 | N01 | 179.5° | 179.9° |
| C22 | C15 | C11 | H2 | 0.5° | 0.0° |
| C15 | C22 | H14 | H15 | 119.2° | 120.0° |
| C13 | C10 | N01 | H1 | 180.0° | 179.7° |
| C13 | C10 | N01 | C11 | 0.8° | 0.4° |
| C10 | C13 | C03 | H18 | 0.0° | 0.1° |
| C15 | C11 | N01 | C10 | 2.9° | 0.1° |
| C15 | C11 | N01 | H2 | 180.0° | 179.9° |
| C11 | C15 | C22 | H14 | 18.1° | 145.0° |
| C11 | C15 | C22 | H15 | 137.5° | 25.0° |
| C10 | N01 | C11 | H2 | 177.0° | 180.0° |
| C11 | N01 | C10 | H1 | 179.2° | 179.9° |
| H7 | C06 | C08 | H8 | 1.3° | 0.0° |
| H9 | C21 | H10 | H11 | 120.0° | 120.0° |
| H12 | C07 | C05 | H13 | 0.8° | 0.0° |
| H16 | C04 | C02 | H17 | 0.8° | 0.0° |
| H17 | C02 | C01 | H19 | 1.2° | 0.1° |
| H18 | C03 | C01 | H19 | 1.1° | 0.1° |
