5NP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C24 | sing | 1.74Å | 1.73Å | |
| C22 | C24 | doub | 1.38Å | 1.52Å | Aromatic |
| C22 | C17 | sing | 1.38Å | 1.52Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.51Å | Aromatic |
| C17 | C12 | doub | 1.38Å | 1.53Å | Aromatic |
| C23 | C18 | doub | 1.38Å | 1.51Å | Aromatic |
| N06 | C16 | doub | 1.32Å | 1.47Å | Aromatic |
| N06 | C21 | sing | 1.32Å | 1.47Å | Aromatic |
| C16 | C11 | sing | 1.38Å | 1.54Å | Aromatic |
| C12 | C18 | sing | 1.38Å | 1.53Å | Aromatic |
| C12 | C08 | sing | 1.51Å | 1.56Å | |
| C21 | C19 | doub | 1.38Å | 1.52Å | Aromatic |
| C11 | C08 | sing | 1.50Å | 1.55Å | |
| C11 | C14 | doub | 1.40Å | 1.45Å | Aromatic |
| O03 | C15 | doub | 1.22Å | 1.22Å | |
| C08 | N05 | sing | 1.47Å | 1.38Å | |
| C08 | N04 | sing | 1.48Å | 1.50Å | |
| C19 | C14 | sing | 1.39Å | 1.50Å | Aromatic |
| C15 | N05 | sing | 1.35Å | 1.44Å | |
| C15 | C20 | sing | 1.48Å | 1.52Å | |
| C14 | C13 | sing | 1.48Å | 1.53Å | |
| N05 | C10 | sing | 1.48Å | 1.63Å | |
| C26 | C20 | doub | 1.39Å | 1.52Å | Aromatic |
| C26 | N07 | sing | 1.32Å | 1.46Å | Aromatic |
| C20 | C25 | sing | 1.40Å | 1.48Å | Aromatic |
| N04 | C13 | sing | 1.33Å | 1.47Å | |
| N04 | C09 | sing | 1.47Å | 1.16Å | |
| C10 | C09 | sing | 1.55Å | 1.51Å | |
| C13 | O02 | doub | 1.22Å | 1.22Å | |
| N07 | C28 | doub | 1.32Å | 1.47Å | Aromatic |
| C25 | C27 | doub | 1.38Å | 1.47Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.52Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C24 | C22 | 120.9° | 120.0° |
| CL1 | C24 | C23 | 118.1° | 120.0° |
| C24 | C22 | C17 | 119.6° | 120.0° |
| C22 | C24 | C23 | 121.0° | 120.0° |
| C24 | C22 | H5 | 120.2° | 120.0° |
| C22 | C17 | C12 | 120.5° | 120.0° |
| C22 | C17 | H3 | 119.7° | 120.0° |
| C17 | C22 | H5 | 120.2° | 120.0° |
| C24 | C23 | C18 | 118.7° | 120.0° |
| C24 | C23 | H13 | 120.7° | 120.0° |
| C17 | C12 | C18 | 118.3° | 120.0° |
| C17 | C12 | C08 | 119.8° | 120.0° |
| C12 | C17 | H3 | 119.8° | 120.0° |
| C23 | C18 | C12 | 121.8° | 120.1° |
| C23 | C18 | H11 | 119.1° | 119.9° |
| C18 | C23 | H13 | 120.7° | 120.1° |
| C16 | N06 | C21 | 119.9° | 122.1° |
| N06 | C16 | C11 | 121.3° | 120.6° |
| N06 | C16 | H10 | 119.3° | 119.8° |
| N06 | C21 | C19 | 119.1° | 121.1° |
| N06 | C21 | H4 | 120.5° | 119.4° |
| C16 | C11 | C08 | 133.7° | 134.7° |
| C16 | C11 | C14 | 118.2° | 119.3° |
| C11 | C16 | H10 | 119.3° | 119.6° |
| C18 | C12 | C08 | 121.7° | 120.0° |
| C12 | C18 | H11 | 119.1° | 120.0° |
| C12 | C08 | C11 | 97.9° | 111.5° |
| C12 | C08 | N05 | 117.2° | 110.8° |
| C12 | C08 | N04 | 112.9° | 110.9° |
| C21 | C19 | C14 | 120.4° | 118.7° |
| C19 | C21 | H4 | 120.4° | 119.5° |
| C21 | C19 | H12 | 119.8° | 120.6° |
| C08 | C11 | C14 | 107.8° | 106.0° |
| C11 | C08 | N05 | 124.7° | 112.8° |
| C11 | C08 | N04 | 106.7° | 105.4° |
| C11 | C14 | C19 | 120.9° | 118.3° |
| C11 | C14 | C13 | 108.6° | 108.2° |
| O03 | C15 | N05 | 119.7° | 120.0° |
| O03 | C15 | C20 | 117.0° | 120.0° |
| N05 | C08 | N04 | 97.6° | 105.0° |
| C08 | N05 | C15 | 127.5° | 126.8° |
| C08 | N05 | C10 | 98.8° | 106.4° |
| C08 | N04 | C13 | 108.8° | 107.7° |
| C08 | N04 | C09 | 118.1° | 102.7° |
| C19 | C14 | C13 | 130.4° | 133.5° |
| C14 | C19 | H12 | 119.8° | 120.7° |
| N05 | C15 | C20 | 123.1° | 120.0° |
| C15 | N05 | C10 | 133.6° | 126.8° |
| C15 | C20 | C26 | 116.3° | 120.6° |
| C15 | C20 | C25 | 122.7° | 120.5° |
| C14 | C13 | N04 | 107.8° | 109.4° |
| C14 | C13 | O02 | 126.2° | 125.2° |
| N05 | C10 | C09 | 103.0° | 105.5° |
| N05 | C10 | H1 | 111.0° | 110.2° |
| N05 | C10 | H2 | 111.1° | 110.3° |
| C20 | C26 | N07 | 118.8° | 120.6° |
| C26 | C20 | C25 | 120.9° | 118.9° |
| C20 | C26 | H6 | 120.6° | 119.6° |
| C26 | N07 | C28 | 120.3° | 121.8° |
| N07 | C26 | H6 | 120.6° | 119.7° |
| C20 | C25 | C27 | 120.3° | 118.3° |
| C20 | C25 | H14 | 119.9° | 120.9° |
| C13 | N04 | C09 | 132.9° | 149.5° |
| N04 | C13 | O02 | 126.0° | 125.3° |
| N04 | C09 | C10 | 101.8° | 103.0° |
| N04 | C09 | H8 | 111.3° | 110.7° |
| N04 | C09 | H9 | 111.4° | 110.7° |
| C09 | C10 | H1 | 111.0° | 110.3° |
| C09 | C10 | H2 | 111.1° | 110.2° |
| C10 | C09 | H8 | 111.4° | 110.7° |
| C10 | C09 | H9 | 111.4° | 110.7° |
| N07 | C28 | C27 | 121.2° | 121.1° |
| N07 | C28 | H7 | 119.4° | 119.5° |
| C25 | C27 | C28 | 118.5° | 119.3° |
| C27 | C25 | H14 | 119.8° | 120.9° |
| C25 | C27 | H15 | 120.8° | 120.3° |
| C27 | C28 | H7 | 119.4° | 119.4° |
| C28 | C27 | H15 | 120.7° | 120.4° |
| H1 | C10 | H2 | 109.5° | 110.2° |
| H8 | C09 | H9 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C24 | C22 | C23 | 179.9° | 180.0° |
| CL1 | C24 | C22 | C17 | 179.5° | 180.0° |
| CL1 | C24 | C23 | C18 | 179.6° | 179.8° |
| CL1 | C24 | C22 | H5 | 0.5° | 0.0° |
| CL1 | C24 | C23 | H13 | 0.4° | 0.0° |
| C24 | C22 | C17 | H5 | 180.0° | 180.0° |
| C24 | C22 | C17 | C12 | 1.9° | 0.0° |
| C22 | C24 | C23 | C18 | 0.3° | 0.2° |
| C24 | C22 | C17 | H3 | 178.1° | 179.7° |
| C22 | C24 | C23 | H13 | 179.7° | 179.9° |
| C17 | C22 | C24 | C23 | 0.4° | 0.0° |
| C22 | C17 | C12 | H3 | 180.0° | 179.6° |
| C22 | C17 | C12 | C18 | 3.2° | 0.3° |
| C22 | C17 | C12 | C08 | 178.2° | 179.7° |
| C24 | C23 | C18 | H13 | 180.0° | 179.7° |
| C24 | C23 | C18 | C12 | 1.7° | 0.5° |
| C23 | C24 | C22 | H5 | 179.6° | 180.0° |
| C24 | C23 | C18 | H11 | 178.3° | 180.0° |
| C17 | C12 | C18 | C23 | 3.2° | 0.5° |
| C17 | C12 | C18 | C08 | 174.9° | 180.0° |
| C17 | C12 | C08 | C11 | 71.2° | 95.5° |
| C17 | C12 | C08 | N05 | 64.6° | 31.0° |
| C17 | C12 | C08 | N04 | 176.8° | 147.3° |
| C12 | C17 | C22 | H5 | 178.1° | 180.0° |
| C17 | C12 | C18 | H11 | 176.9° | 180.0° |
| C23 | C18 | C12 | H11 | 180.0° | 179.5° |
| C23 | C18 | C12 | C08 | 178.1° | 179.5° |
| N06 | C16 | C11 | H10 | 180.0° | 180.0° |
| C16 | N06 | C21 | C19 | 0.1° | 0.3° |
| N06 | C16 | C11 | C08 | 176.8° | 179.2° |
| N06 | C16 | C11 | C14 | 2.7° | 0.6° |
| C16 | N06 | C21 | H4 | 179.9° | 179.7° |
| C21 | N06 | C16 | C11 | 1.5° | 0.0° |
| N06 | C21 | C19 | H4 | 180.0° | 180.0° |
| N06 | C21 | C19 | C14 | 0.1° | 0.1° |
| C21 | N06 | C16 | H10 | 178.5° | 180.0° |
| N06 | C21 | C19 | H12 | 179.9° | 179.9° |
| C16 | C11 | C08 | C12 | 63.9° | 70.5° |
| C16 | C11 | C08 | C14 | 174.5° | 179.8° |
| C16 | C11 | C08 | N05 | 67.2° | 54.9° |
| C16 | C11 | C08 | N04 | 179.2° | 169.0° |
| C16 | C11 | C14 | C19 | 2.6° | 0.8° |
| C16 | C11 | C14 | C13 | 178.6° | 178.9° |
| C18 | C12 | C08 | C11 | 113.9° | 84.5° |
| C18 | C12 | C08 | N05 | 110.2° | 149.0° |
| C18 | C12 | C08 | N04 | 1.9° | 32.7° |
| C18 | C12 | C17 | H3 | 176.8° | 179.9° |
| C12 | C18 | C23 | H13 | 178.2° | 179.8° |
| C12 | C08 | C11 | N05 | 131.1° | 125.5° |
| C12 | C08 | C11 | N04 | 116.9° | 120.5° |
| C12 | C08 | C11 | C14 | 121.6° | 109.3° |
| C12 | C08 | N05 | N04 | 120.6° | 119.9° |
| C12 | C08 | N05 | C15 | 97.2° | 86.9° |
| C12 | C08 | N05 | C10 | 83.3° | 93.0° |
| C12 | C08 | N04 | C13 | 111.0° | 102.9° |
| C12 | C08 | N04 | C09 | 73.8° | 78.5° |
| C08 | C12 | C17 | H3 | 1.8° | 0.1° |
| C08 | C12 | C18 | H11 | 2.0° | 0.0° |
| C21 | C19 | C14 | C11 | 1.3° | 0.4° |
| C21 | C19 | C14 | H12 | 180.0° | 180.0° |
| C21 | C19 | C14 | C13 | 179.8° | 179.1° |
| C11 | C08 | N05 | N04 | 116.4° | 114.3° |
| C08 | C11 | C14 | C19 | 178.1° | 179.1° |
| C11 | C08 | N05 | C15 | 25.7° | 38.9° |
| C08 | C11 | C14 | C13 | 3.1° | 1.3° |
| C11 | C08 | N05 | C10 | 153.8° | 141.1° |
| C11 | C08 | N04 | C13 | 4.5° | 17.9° |
| C11 | C08 | N04 | C09 | 179.7° | 160.7° |
| C08 | C11 | C16 | H10 | 3.2° | 0.8° |
| C14 | C11 | C08 | N05 | 107.4° | 125.2° |
| C14 | C11 | C08 | N04 | 4.7° | 11.2° |
| C11 | C14 | C19 | C13 | 178.6° | 179.5° |
| C11 | C14 | C13 | N04 | 0.3° | 10.5° |
| C11 | C14 | C13 | O02 | 178.8° | 169.5° |
| C14 | C11 | C16 | H10 | 177.3° | 179.4° |
| C11 | C14 | C19 | H12 | 178.8° | 179.6° |
| O03 | C15 | N05 | C08 | 0.7° | 5.5° |
| O03 | C15 | N05 | C20 | 175.6° | 179.9° |
| O03 | C15 | N05 | C10 | 178.7° | 174.5° |
| O03 | C15 | C20 | C26 | 9.1° | 171.6° |
| O03 | C15 | C20 | C25 | 174.7° | 8.1° |
| C08 | N05 | C15 | C10 | 179.4° | 180.0° |
| C08 | N05 | C15 | C20 | 176.3° | 174.5° |
| N05 | C08 | N04 | C13 | 125.3° | 137.3° |
| N05 | C08 | N04 | C09 | 50.0° | 41.3° |
| C08 | N05 | C10 | C09 | 26.6° | 2.6° |
| C08 | N05 | C10 | H1 | 92.3° | 116.4° |
| C08 | N05 | C10 | H2 | 145.6° | 121.6° |
| N04 | C08 | N05 | C15 | 142.2° | 153.2° |
| C08 | N04 | C13 | C14 | 2.7° | 17.5° |
| N04 | C08 | N05 | C10 | 37.4° | 26.8° |
| C08 | N04 | C13 | C09 | 174.3° | 177.3° |
| C08 | N04 | C09 | C10 | 29.9° | 38.5° |
| C08 | N04 | C13 | O02 | 178.2° | 162.4° |
| C08 | N04 | C09 | H8 | 148.6° | 79.9° |
| C08 | N04 | C09 | H9 | 88.9° | 156.8° |
| C19 | C14 | C13 | N04 | 179.0° | 169.1° |
| C19 | C14 | C13 | O02 | 0.1° | 11.0° |
| C14 | C19 | C21 | H4 | 179.9° | 179.9° |
| N05 | C15 | C20 | C26 | 166.6° | 8.4° |
| N05 | C15 | C20 | C25 | 9.6° | 171.9° |
| C15 | N05 | C10 | C09 | 152.9° | 177.4° |
| C15 | N05 | C10 | H1 | 88.2° | 63.5° |
| C15 | N05 | C10 | H2 | 33.9° | 58.4° |
| C20 | C15 | N05 | C10 | 3.1° | 5.6° |
| C15 | C20 | C26 | C25 | 176.3° | 179.7° |
| C15 | C20 | C26 | N07 | 178.1° | 180.0° |
| C15 | C20 | C25 | C27 | 177.5° | 180.0° |
| C15 | C20 | C26 | H6 | 1.9° | 0.0° |
| C15 | C20 | C25 | H14 | 2.5° | 0.1° |
| C14 | C13 | N04 | O02 | 179.1° | 179.9° |
| C14 | C13 | N04 | C09 | 177.0° | 159.8° |
| C13 | C14 | C19 | H12 | 0.2° | 0.9° |
| N05 | C10 | C09 | N04 | 1.3° | 22.5° |
| N05 | C10 | C09 | H1 | 118.9° | 119.0° |
| N05 | C10 | C09 | H2 | 119.0° | 119.1° |
| N05 | C10 | H1 | H2 | 123.0° | 122.0° |
| N05 | C10 | C09 | H8 | 120.1° | 95.9° |
| N05 | C10 | C09 | H9 | 117.4° | 140.8° |
| C20 | C26 | N07 | H6 | 180.0° | 180.0° |
| C20 | C26 | N07 | C28 | 1.6° | 0.0° |
| C26 | C20 | C25 | C27 | 1.5° | 0.3° |
| C26 | C20 | C25 | H14 | 178.5° | 179.8° |
| N07 | C26 | C20 | C25 | 1.8° | 0.3° |
| C26 | N07 | C28 | C27 | 1.1° | 0.3° |
| C26 | N07 | C28 | H7 | 178.9° | 180.0° |
| C20 | C25 | C27 | H14 | 180.0° | 180.0° |
| C20 | C25 | C27 | C28 | 0.9° | 0.0° |
| C25 | C20 | C26 | H6 | 178.2° | 179.7° |
| C20 | C25 | C27 | H15 | 179.1° | 179.7° |
| C13 | N04 | C09 | C10 | 144.0° | 138.9° |
| C13 | N04 | C09 | H8 | 25.2° | 102.7° |
| C13 | N04 | C09 | H9 | 97.3° | 20.5° |
| N04 | C09 | C10 | H8 | 118.7° | 118.4° |
| N04 | C09 | C10 | H9 | 118.8° | 118.3° |
| C09 | N04 | C13 | O02 | 3.9° | 20.3° |
| N04 | C09 | C10 | H1 | 120.3° | 141.5° |
| N04 | C09 | C10 | H2 | 117.7° | 96.6° |
| N04 | C09 | H8 | H9 | 123.6° | 123.2° |
| C09 | C10 | H1 | H2 | 123.0° | 121.9° |
| C10 | C09 | H8 | H9 | 123.6° | 123.2° |
| N07 | C28 | C27 | C25 | 0.7° | 0.3° |
| N07 | C28 | C27 | H7 | 180.0° | 179.7° |
| C28 | N07 | C26 | H6 | 178.4° | 180.0° |
| N07 | C28 | C27 | H15 | 179.3° | 180.0° |
| C25 | C27 | C28 | H15 | 180.0° | 179.8° |
| C25 | C27 | C28 | H7 | 179.3° | 180.0° |
| C28 | C27 | C25 | H14 | 179.1° | 180.0° |
| H1 | C10 | C09 | H8 | 121.0° | 23.1° |
| H1 | C10 | C09 | H9 | 1.5° | 100.2° |
| H2 | C10 | C09 | H8 | 1.1° | 145.0° |
| H2 | C10 | C09 | H9 | 123.6° | 21.8° |
| H3 | C17 | C22 | H5 | 1.9° | 0.3° |
| H4 | C21 | C19 | H12 | 0.1° | 0.1° |
| H7 | C28 | C27 | H15 | 0.7° | 0.2° |
| H11 | C18 | C23 | H13 | 1.7° | 0.3° |
| H14 | C25 | C27 | H15 | 0.9° | 0.2° |
