7PL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C30 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | C26 | sing | 1.51Å | 1.55Å | |
| C26 | O27 | doub | 1.21Å | 1.19Å | |
| C26 | N25 | sing | 1.35Å | 1.46Å | |
| N25 | C01 | sing | 1.40Å | 1.46Å | |
| C01 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | N07 | sing | 1.40Å | 1.45Å | |
| C05 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| N07 | C08 | sing | 1.39Å | 1.46Å | |
| C08 | N09 | doub | 1.33Å | 1.33Å | Aromatic |
| C08 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| N09 | C10 | sing | 1.32Å | 1.33Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| F24 | C21 | sing | 1.40Å | 1.38Å | |
| C10 | N11 | doub | 1.32Å | 1.33Å | Aromatic |
| C12 | N11 | sing | 1.33Å | 1.32Å | Aromatic |
| C12 | N14 | sing | 1.39Å | 1.45Å | |
| C21 | F22 | sing | 1.40Å | 1.38Å | |
| C21 | F23 | sing | 1.40Å | 1.38Å | |
| C21 | C19 | sing | 1.51Å | 1.54Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | N14 | sing | 1.40Å | 1.46Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.08Å | 1.08Å | |
| C03 | H7 | sing | 1.08Å | 1.08Å | |
| C04 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| N07 | H16 | sing | 0.97Å | 1.00Å | |
| N14 | H17 | sing | 0.97Å | 1.00Å | |
| N25 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C30 | C28 | 59.9° | 60.0° |
| C30 | C29 | C28 | 60.0° | 60.0° |
| C30 | C29 | H12 | 120.0° | 117.5° |
| C30 | C29 | H13 | 120.0° | 117.5° |
| C29 | C30 | H14 | 120.0° | 117.5° |
| C29 | C30 | H15 | 120.0° | 117.5° |
| C30 | C28 | C29 | 60.1° | 60.0° |
| C30 | C28 | C26 | 119.2° | 117.5° |
| C30 | C28 | H5 | 117.2° | 117.5° |
| C28 | C30 | H14 | 120.0° | 117.5° |
| C28 | C30 | H15 | 120.0° | 117.5° |
| C29 | C28 | C26 | 113.9° | 117.5° |
| C29 | C28 | H5 | 117.2° | 117.5° |
| C28 | C29 | H12 | 120.0° | 117.5° |
| C28 | C29 | H13 | 120.0° | 117.5° |
| C28 | C26 | O27 | 122.2° | 120.0° |
| C28 | C26 | N25 | 116.3° | 120.1° |
| C26 | C28 | H5 | 116.8° | 115.6° |
| O27 | C26 | N25 | 121.5° | 120.0° |
| C26 | N25 | C01 | 126.8° | 120.0° |
| C26 | N25 | H18 | 116.6° | 120.0° |
| N25 | C01 | C06 | 121.8° | 120.0° |
| N25 | C01 | C02 | 118.4° | 120.0° |
| C01 | N25 | H18 | 116.6° | 120.0° |
| C06 | C01 | C02 | 119.8° | 119.9° |
| C01 | C06 | C05 | 120.2° | 119.8° |
| C01 | C06 | H9 | 119.9° | 120.1° |
| C01 | C02 | C03 | 120.2° | 120.1° |
| C01 | C02 | H6 | 119.9° | 119.9° |
| C06 | C05 | N07 | 116.8° | 120.0° |
| C06 | C05 | C04 | 120.3° | 120.0° |
| C05 | C06 | H9 | 119.9° | 120.1° |
| C02 | C03 | C04 | 119.8° | 120.2° |
| C03 | C02 | H6 | 119.9° | 120.0° |
| C02 | C03 | H7 | 120.1° | 119.9° |
| N07 | C05 | C04 | 122.8° | 120.0° |
| C05 | N07 | C08 | 127.5° | 120.0° |
| C05 | N07 | H16 | 116.2° | 120.0° |
| C05 | C04 | C03 | 119.6° | 120.1° |
| C05 | C04 | H8 | 120.2° | 120.0° |
| C04 | C03 | H7 | 120.1° | 119.9° |
| C03 | C04 | H8 | 120.2° | 119.9° |
| N07 | C08 | N09 | 117.6° | 120.5° |
| N07 | C08 | C13 | 122.7° | 120.5° |
| C08 | N07 | H16 | 116.2° | 120.0° |
| N09 | C08 | C13 | 119.6° | 119.1° |
| C08 | N09 | C10 | 121.9° | 120.9° |
| C08 | C13 | C12 | 117.1° | 118.2° |
| C08 | C13 | H2 | 121.5° | 120.9° |
| N09 | C10 | N11 | 119.9° | 121.9° |
| N09 | C10 | H1 | 120.1° | 119.0° |
| C13 | C12 | N11 | 120.3° | 119.1° |
| C13 | C12 | N14 | 121.6° | 120.5° |
| C12 | C13 | H2 | 121.4° | 120.8° |
| F24 | C21 | F22 | 108.7° | 109.4° |
| F24 | C21 | F23 | 111.2° | 109.4° |
| F24 | C21 | C19 | 109.3° | 109.5° |
| C10 | N11 | C12 | 121.2° | 120.9° |
| N11 | C10 | H1 | 120.1° | 119.1° |
| N11 | C12 | N14 | 118.0° | 120.4° |
| C12 | N14 | C15 | 121.0° | 120.0° |
| C12 | N14 | H17 | 119.5° | 120.0° |
| F22 | C21 | F23 | 108.7° | 109.5° |
| F22 | C21 | C19 | 109.2° | 109.5° |
| F23 | C21 | C19 | 109.7° | 109.5° |
| C21 | C19 | C20 | 119.9° | 120.0° |
| C21 | C19 | C18 | 120.1° | 119.9° |
| C20 | C19 | C18 | 120.0° | 120.0° |
| C19 | C20 | C15 | 119.0° | 119.9° |
| C19 | C20 | H4 | 120.5° | 120.0° |
| C19 | C18 | C17 | 121.7° | 120.1° |
| C19 | C18 | H11 | 119.1° | 119.9° |
| C20 | C15 | N14 | 121.5° | 120.0° |
| C20 | C15 | C16 | 121.0° | 119.9° |
| C15 | C20 | H4 | 120.5° | 120.1° |
| N14 | C15 | C16 | 117.5° | 120.1° |
| C15 | N14 | H17 | 119.5° | 120.1° |
| C15 | C16 | C17 | 120.1° | 119.9° |
| C15 | C16 | H10 | 119.9° | 120.0° |
| C18 | C17 | C16 | 118.2° | 120.1° |
| C18 | C17 | H3 | 120.9° | 119.9° |
| C17 | C18 | H11 | 119.2° | 119.9° |
| C16 | C17 | H3 | 120.9° | 120.0° |
| C17 | C16 | H10 | 120.0° | 120.0° |
| H12 | C29 | H13 | 109.5° | 115.6° |
| H14 | C30 | H15 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C30 | C28 | H14 | 109.4° | 107.5° |
| C29 | C30 | C28 | H15 | 109.4° | 107.5° |
| C30 | C29 | C28 | H12 | 109.5° | 107.5° |
| C30 | C29 | C28 | H13 | 109.5° | 107.4° |
| C29 | C30 | C28 | C26 | 102.3° | 107.5° |
| C29 | C30 | C28 | H5 | 107.3° | 107.5° |
| C30 | C29 | H12 | H13 | 144.7° | 145.6° |
| C29 | C30 | H14 | H15 | 144.8° | 145.7° |
| C30 | C28 | C26 | H5 | 150.5° | 145.7° |
| C30 | C28 | C26 | O27 | 41.8° | 68.8° |
| C30 | C28 | C26 | N25 | 138.9° | 111.3° |
| C28 | C30 | H14 | H15 | 144.8° | 145.7° |
| C29 | C28 | C26 | H5 | 141.7° | 145.7° |
| C29 | C28 | C26 | O27 | 26.1° | 0.1° |
| C29 | C28 | C26 | N25 | 153.2° | 179.9° |
| C28 | C29 | H12 | H13 | 144.7° | 145.7° |
| C28 | C26 | O27 | N25 | 179.3° | 180.0° |
| C28 | C26 | N25 | C01 | 178.1° | 177.4° |
| C26 | C28 | C29 | H12 | 139.3° | 0.1° |
| C26 | C28 | C29 | H13 | 1.7° | 145.0° |
| C26 | C28 | C30 | H14 | 7.1° | 145.0° |
| C26 | C28 | C30 | H15 | 148.3° | 0.0° |
| C28 | C26 | N25 | H18 | 1.9° | 2.5° |
| O27 | C26 | N25 | C01 | 1.2° | 2.6° |
| O27 | C26 | C28 | H5 | 167.8° | 145.6° |
| O27 | C26 | N25 | H18 | 178.8° | 177.5° |
| C26 | N25 | C01 | H18 | 180.0° | 179.9° |
| C26 | N25 | C01 | C06 | 31.2° | 51.9° |
| C26 | N25 | C01 | C02 | 148.4° | 128.4° |
| N25 | C26 | C28 | H5 | 11.5° | 34.4° |
| N25 | C01 | C06 | C02 | 179.6° | 179.7° |
| N25 | C01 | C06 | C05 | 180.0° | 179.7° |
| N25 | C01 | C02 | C03 | 179.6° | 179.8° |
| N25 | C01 | C02 | H6 | 0.4° | 0.3° |
| N25 | C01 | C06 | H9 | 0.0° | 0.2° |
| C01 | C06 | C05 | H9 | 180.0° | 179.9° |
| C06 | C01 | C02 | C03 | 0.8° | 0.0° |
| C01 | C06 | C05 | N07 | 178.6° | 180.0° |
| C01 | C06 | C05 | C04 | 0.4° | 0.1° |
| C06 | C01 | C02 | H6 | 179.2° | 180.0° |
| C06 | C01 | N25 | H18 | 148.8° | 128.1° |
| C02 | C01 | C06 | C05 | 0.4° | 0.0° |
| C01 | C02 | C03 | H6 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.3° | 0.1° |
| C01 | C02 | C03 | H7 | 179.7° | 180.0° |
| C02 | C01 | C06 | H9 | 179.6° | 180.0° |
| C02 | C01 | N25 | H18 | 31.6° | 51.7° |
| C06 | C05 | N07 | C04 | 178.2° | 179.9° |
| C06 | C05 | C04 | C03 | 0.8° | 0.0° |
| C06 | C05 | N07 | C08 | 159.3° | 151.7° |
| C06 | C05 | C04 | H8 | 179.2° | 180.0° |
| C06 | C05 | N07 | H16 | 20.7° | 28.2° |
| C02 | C03 | C04 | C05 | 0.4° | 0.0° |
| C02 | C03 | C04 | H7 | 180.0° | 180.0° |
| C02 | C03 | C04 | H8 | 179.5° | 180.0° |
| N07 | C05 | C04 | C03 | 179.0° | 180.0° |
| C05 | N07 | C08 | H16 | 180.0° | 179.9° |
| C05 | N07 | C08 | N09 | 148.7° | 8.4° |
| C05 | N07 | C08 | C13 | 34.1° | 171.7° |
| N07 | C05 | C04 | H8 | 1.0° | 0.0° |
| N07 | C05 | C06 | H9 | 1.3° | 0.1° |
| C05 | C04 | C03 | H8 | 180.0° | 180.0° |
| C04 | C05 | N07 | C08 | 22.5° | 28.2° |
| C05 | C04 | C03 | H7 | 179.5° | 180.0° |
| C04 | C05 | C06 | H9 | 179.6° | 180.0° |
| C04 | C05 | N07 | H16 | 157.5° | 151.9° |
| C04 | C03 | C02 | H6 | 179.7° | 180.0° |
| N07 | C08 | N09 | C13 | 177.3° | 179.9° |
| N07 | C08 | N09 | C10 | 179.6° | 180.0° |
| N07 | C08 | C13 | C12 | 179.2° | 179.7° |
| N07 | C08 | C13 | H2 | 0.8° | 0.3° |
| N09 | C08 | C13 | C12 | 2.0° | 0.2° |
| C08 | N09 | C10 | N11 | 1.2° | 0.1° |
| C08 | N09 | C10 | H1 | 178.7° | 179.7° |
| N09 | C08 | C13 | H2 | 178.0° | 179.6° |
| N09 | C08 | N07 | H16 | 31.3° | 171.7° |
| C13 | C08 | N09 | C10 | 2.3° | 0.1° |
| C08 | C13 | C12 | H2 | 180.0° | 179.4° |
| C08 | C13 | C12 | N11 | 0.8° | 0.5° |
| C08 | C13 | C12 | N14 | 178.6° | 180.0° |
| C13 | C08 | N07 | H16 | 145.9° | 8.2° |
| N09 | C10 | N11 | H1 | 180.0° | 179.9° |
| N09 | C10 | N11 | C12 | 0.0° | 0.2° |
| C13 | C12 | N11 | C10 | 0.2° | 0.4° |
| C13 | C12 | N11 | N14 | 179.4° | 179.6° |
| C13 | C12 | N14 | C15 | 16.5° | 170.9° |
| C13 | C12 | N14 | H17 | 163.5° | 9.1° |
| F24 | C21 | F22 | F23 | 121.2° | 119.9° |
| F24 | C21 | F22 | C19 | 119.1° | 120.0° |
| F24 | C21 | F23 | C19 | 121.0° | 120.0° |
| F24 | C21 | C19 | C20 | 76.1° | 30.0° |
| F24 | C21 | C19 | C18 | 105.0° | 150.0° |
| C10 | N11 | C12 | N14 | 179.6° | 180.0° |
| N11 | C12 | N14 | C15 | 162.9° | 9.5° |
| C12 | N11 | C10 | H1 | 180.0° | 180.0° |
| N11 | C12 | C13 | H2 | 179.2° | 179.9° |
| N11 | C12 | N14 | H17 | 17.1° | 170.4° |
| C12 | N14 | C15 | C20 | 52.9° | 153.9° |
| C12 | N14 | C15 | H17 | 180.0° | 179.9° |
| C12 | N14 | C15 | C16 | 127.2° | 26.4° |
| N14 | C12 | C13 | H2 | 1.4° | 0.5° |
| F22 | C21 | F23 | C19 | 119.3° | 120.1° |
| F22 | C21 | C19 | C20 | 42.7° | 90.0° |
| F22 | C21 | C19 | C18 | 136.2° | 90.0° |
| F23 | C21 | C19 | C20 | 161.7° | 150.0° |
| F23 | C21 | C19 | C18 | 17.2° | 30.0° |
| C21 | C19 | C20 | C18 | 178.9° | 180.0° |
| C21 | C19 | C20 | C15 | 179.9° | 180.0° |
| C21 | C19 | C18 | C17 | 179.5° | 179.8° |
| C21 | C19 | C20 | H4 | 0.1° | 0.1° |
| C21 | C19 | C18 | H11 | 0.5° | 0.0° |
| C19 | C20 | C15 | H4 | 180.0° | 179.9° |
| C19 | C20 | C15 | N14 | 179.2° | 180.0° |
| C19 | C20 | C15 | C16 | 0.9° | 0.3° |
| C20 | C19 | C18 | C17 | 0.6° | 0.2° |
| C20 | C19 | C18 | H11 | 179.4° | 179.9° |
| C18 | C19 | C20 | C15 | 1.0° | 0.0° |
| C19 | C18 | C17 | H11 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.0° | 0.2° |
| C19 | C18 | C17 | H3 | 179.9° | 179.8° |
| C18 | C19 | C20 | H4 | 179.0° | 180.0° |
| C20 | C15 | N14 | C16 | 179.8° | 179.7° |
| C20 | C15 | C16 | C17 | 0.4° | 0.2° |
| C20 | C15 | C16 | H10 | 179.7° | 179.7° |
| C20 | C15 | N14 | H17 | 127.1° | 26.2° |
| N14 | C15 | C16 | C17 | 179.8° | 180.0° |
| N14 | C15 | C20 | H4 | 0.7° | 0.1° |
| N14 | C15 | C16 | H10 | 0.2° | 0.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H10 | 180.0° | 179.9° |
| C15 | C16 | C17 | H3 | 179.9° | 180.0° |
| C16 | C15 | C20 | H4 | 179.1° | 179.8° |
| C16 | C15 | N14 | H17 | 52.8° | 153.6° |
| C18 | C17 | C16 | H3 | 180.0° | 180.0° |
| C18 | C17 | C16 | H10 | 179.9° | 179.9° |
| C16 | C17 | C18 | H11 | 179.9° | 180.0° |
| H3 | C17 | C16 | H10 | 0.1° | 0.1° |
| H3 | C17 | C18 | H11 | 0.1° | 0.0° |
| H5 | C28 | C29 | H12 | 2.2° | 145.1° |
| H5 | C28 | C29 | H13 | 143.3° | 0.0° |
| H5 | C28 | C30 | H14 | 143.2° | 0.0° |
| H5 | C28 | C30 | H15 | 2.1° | 145.0° |
| H6 | C02 | C03 | H7 | 0.3° | 0.0° |
| H7 | C03 | C04 | H8 | 0.5° | 0.0° |
| H12 | C29 | C30 | H14 | 141.1° | 145.0° |
| H12 | C29 | C30 | H15 | 0.0° | 0.0° |
| H13 | C29 | C30 | H14 | 0.0° | 0.0° |
| H13 | C29 | C30 | H15 | 141.1° | 145.0° |
