N75
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | O2 | sing | 1.43Å | 1.42Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| O6 | C2 | sing | 1.36Å | 1.37Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| O1 | C6 | sing | 1.35Å | 1.24Å | Aromatic |
| O1 | C8 | sing | 1.35Å | 1.25Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.41Å | 1.37Å | Aromatic |
| C12 | O2 | sing | 1.36Å | 1.39Å | |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | O3 | doub | 1.21Å | 1.21Å | |
| C16 | N1 | sing | 1.35Å | 1.39Å | |
| C9 | C8 | sing | 1.47Å | 1.38Å | |
| C9 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | C17 | sing | 1.46Å | 1.46Å | |
| C3 | C28 | sing | 1.47Å | 1.38Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| O4 | C28 | doub | 1.22Å | 1.20Å | |
| C7 | C20 | sing | 1.43Å | 1.34Å | |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | O5 | sing | 1.35Å | 1.36Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.47Å | |
| C20 | C21 | trip | 1.17Å | 1.23Å | |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.43Å | 1.32Å | |
| C24 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | CL | sing | 1.74Å | 1.73Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| O5 | H19 | sing | 0.97Å | 0.95Å | |
| O6 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 122.1° | 120.1° |
| C13 | C14 | C9 | 122.1° | 119.9° |
| C14 | C13 | H5 | 118.9° | 120.0° |
| C13 | C14 | H6 | 119.0° | 120.0° |
| C13 | C12 | O2 | 125.6° | 119.9° |
| C13 | C12 | C11 | 115.6° | 120.2° |
| C12 | C13 | H5 | 119.0° | 119.9° |
| C14 | C9 | C8 | 124.0° | 120.1° |
| C14 | C9 | C10 | 115.7° | 119.8° |
| C9 | C14 | H6 | 118.9° | 120.1° |
| O2 | C15 | C16 | 111.5° | 109.5° |
| C15 | O2 | C12 | 120.1° | 117.0° |
| O2 | C15 | H7 | 109.0° | 109.5° |
| O2 | C15 | H8 | 109.0° | 109.5° |
| C15 | C16 | O3 | 123.0° | 120.0° |
| C15 | C16 | N1 | 113.4° | 120.0° |
| C16 | C15 | H7 | 109.0° | 109.5° |
| C16 | C15 | H8 | 109.0° | 109.4° |
| O6 | C2 | C1 | 116.6° | 119.9° |
| O6 | C2 | C3 | 124.4° | 119.8° |
| C2 | O6 | H20 | 109.5° | 114.0° |
| C2 | C1 | C6 | 120.8° | 120.2° |
| C1 | C2 | C3 | 119.0° | 120.3° |
| C2 | C1 | H1 | 119.6° | 119.8° |
| C1 | C6 | O1 | 128.8° | 132.4° |
| C1 | C6 | C5 | 119.9° | 119.5° |
| C6 | C1 | H1 | 119.6° | 120.0° |
| C6 | O1 | C8 | 110.4° | 111.4° |
| O1 | C6 | C5 | 111.3° | 108.0° |
| O1 | C8 | C9 | 120.6° | 125.3° |
| O1 | C8 | C7 | 109.7° | 109.4° |
| C2 | C3 | C28 | 121.9° | 120.1° |
| C2 | C3 | C4 | 119.6° | 119.8° |
| C6 | C5 | C7 | 103.9° | 105.7° |
| C6 | C5 | C4 | 120.8° | 120.6° |
| O2 | C12 | C11 | 118.8° | 119.9° |
| C12 | C11 | C10 | 122.2° | 120.1° |
| C12 | C11 | H4 | 118.9° | 119.9° |
| O3 | C16 | N1 | 123.7° | 120.0° |
| C16 | N1 | C17 | 123.5° | 120.0° |
| C16 | N1 | H9 | 118.3° | 120.0° |
| C8 | C9 | C10 | 120.3° | 120.1° |
| C9 | C8 | C7 | 129.7° | 125.3° |
| C9 | C10 | C11 | 122.3° | 119.9° |
| C9 | C10 | H3 | 118.9° | 120.0° |
| C8 | C7 | C5 | 104.7° | 105.5° |
| C8 | C7 | C20 | 132.0° | 127.3° |
| N1 | C17 | C18 | 105.9° | 117.5° |
| N1 | C17 | C19 | 126.0° | 117.5° |
| C17 | N1 | H9 | 118.2° | 120.0° |
| N1 | C17 | H10 | 116.3° | 115.6° |
| C28 | C3 | C4 | 118.5° | 120.1° |
| C3 | C28 | O4 | 123.0° | 120.0° |
| C3 | C28 | O5 | 123.8° | 120.0° |
| C3 | C4 | C5 | 119.9° | 119.6° |
| C3 | C4 | H2 | 120.1° | 120.2° |
| C7 | C5 | C4 | 135.3° | 133.8° |
| C5 | C7 | C20 | 123.3° | 127.2° |
| C5 | C4 | H2 | 120.0° | 120.2° |
| O4 | C28 | O5 | 113.2° | 120.0° |
| C7 | C20 | C21 | 176.7° | 179.9° |
| C11 | C10 | H3 | 118.9° | 120.1° |
| C10 | C11 | H4 | 118.9° | 119.9° |
| C28 | O5 | H19 | 109.5° | 117.0° |
| C17 | C18 | C19 | 57.8° | 60.0° |
| C18 | C17 | C19 | 61.6° | 60.0° |
| C18 | C17 | H10 | 115.2° | 117.5° |
| C17 | C18 | H11 | 120.4° | 117.5° |
| C17 | C18 | H12 | 120.4° | 117.5° |
| C18 | C19 | C17 | 60.6° | 60.0° |
| C19 | C18 | H11 | 120.4° | 117.5° |
| C19 | C18 | H12 | 120.3° | 117.5° |
| C18 | C19 | H13 | 119.9° | 117.5° |
| C18 | C19 | H14 | 119.9° | 117.5° |
| C19 | C17 | H10 | 116.0° | 117.5° |
| C17 | C19 | H13 | 119.9° | 117.5° |
| C17 | C19 | H14 | 119.9° | 117.5° |
| C20 | C21 | C22 | 176.8° | 180.0° |
| C24 | C23 | C22 | 120.4° | 119.8° |
| C23 | C24 | C25 | 120.3° | 120.2° |
| C24 | C23 | H15 | 119.8° | 120.0° |
| C23 | C24 | H16 | 119.9° | 119.9° |
| C23 | C22 | C21 | 119.2° | 120.1° |
| C23 | C22 | C27 | 119.6° | 119.7° |
| C22 | C23 | H15 | 119.8° | 120.1° |
| C21 | C22 | C27 | 121.3° | 120.1° |
| C24 | C25 | C26 | 119.9° | 120.3° |
| C25 | C24 | H16 | 119.9° | 119.9° |
| C24 | C25 | H17 | 120.1° | 119.8° |
| C22 | C27 | C26 | 119.4° | 119.8° |
| C22 | C27 | H18 | 120.3° | 120.1° |
| C25 | C26 | C27 | 120.4° | 120.1° |
| C25 | C26 | CL | 119.2° | 119.9° |
| C26 | C25 | H17 | 120.1° | 119.8° |
| C27 | C26 | CL | 120.4° | 119.9° |
| C26 | C27 | H18 | 120.3° | 120.1° |
| H7 | C15 | H8 | 109.5° | 109.4° |
| H11 | C18 | H12 | 109.5° | 115.5° |
| H13 | C19 | H14 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H5 | 180.0° | 179.4° |
| C13 | C14 | C9 | H6 | 180.0° | 179.5° |
| C14 | C13 | C12 | O2 | 179.7° | 179.7° |
| C14 | C13 | C12 | C11 | 0.1° | 0.2° |
| C13 | C14 | C9 | C8 | 179.7° | 179.7° |
| C13 | C14 | C9 | C10 | 0.1° | 0.6° |
| C12 | C13 | C14 | C9 | 0.0° | 0.6° |
| C13 | C12 | O2 | C15 | 80.9° | 0.0° |
| C13 | C12 | O2 | C11 | 179.8° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C13 | C12 | C11 | H4 | 179.9° | 180.0° |
| C12 | C13 | C14 | H6 | 180.0° | 180.0° |
| C14 | C9 | C8 | O1 | 85.9° | 179.6° |
| C14 | C9 | C8 | C10 | 179.7° | 179.7° |
| C14 | C9 | C8 | C7 | 93.9° | 0.2° |
| C14 | C9 | C10 | C11 | 0.0° | 0.2° |
| C14 | C9 | C10 | H3 | 180.0° | 179.7° |
| C9 | C14 | C13 | H5 | 180.0° | 180.0° |
| O2 | C15 | C16 | H7 | 120.3° | 120.0° |
| O2 | C15 | C16 | H8 | 120.3° | 120.0° |
| C15 | O2 | C12 | C11 | 99.3° | 180.0° |
| O2 | C15 | C16 | O3 | 100.4° | 0.0° |
| O2 | C15 | C16 | N1 | 79.2° | 180.0° |
| O2 | C15 | H7 | H8 | 119.1° | 120.0° |
| C16 | C15 | O2 | C12 | 107.9° | 180.0° |
| C15 | C16 | O3 | N1 | 179.6° | 179.9° |
| C15 | C16 | N1 | C17 | 179.1° | 180.0° |
| C16 | C15 | H7 | H8 | 119.1° | 119.9° |
| C15 | C16 | N1 | H9 | 0.9° | 0.0° |
| O6 | C2 | C1 | C3 | 179.8° | 179.9° |
| O6 | C2 | C1 | C6 | 179.9° | 180.0° |
| O6 | C2 | C3 | C28 | 0.1° | 0.0° |
| O6 | C2 | C3 | C4 | 179.9° | 179.9° |
| O6 | C2 | C1 | H1 | 0.1° | 0.3° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | O1 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.0° |
| C1 | C2 | C3 | C28 | 179.8° | 179.9° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C1 | C2 | O6 | H20 | 180.0° | 90.1° |
| C1 | C6 | O1 | C5 | 179.7° | 179.9° |
| C1 | C6 | O1 | C8 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.3° | 0.0° |
| C1 | C6 | C5 | C7 | 179.8° | 180.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.0° |
| C6 | O1 | C8 | C9 | 179.8° | 180.0° |
| C6 | O1 | C8 | C7 | 0.0° | 0.1° |
| O1 | C6 | C5 | C7 | 0.5° | 0.0° |
| O1 | C6 | C5 | C4 | 180.0° | 179.9° |
| O1 | C6 | C1 | H1 | 0.1° | 0.3° |
| C8 | O1 | C6 | C5 | 0.3° | 0.1° |
| O1 | C8 | C9 | C7 | 179.8° | 179.9° |
| O1 | C8 | C9 | C10 | 94.4° | 0.1° |
| O1 | C8 | C7 | C5 | 0.4° | 0.1° |
| O1 | C8 | C7 | C20 | 179.8° | 179.9° |
| C2 | C3 | C28 | C4 | 179.8° | 179.9° |
| C2 | C3 | C4 | C5 | 0.4° | 0.1° |
| C2 | C3 | C28 | O4 | 113.3° | 0.0° |
| C2 | C3 | C28 | O5 | 66.3° | 180.0° |
| C3 | C2 | C1 | H1 | 179.7° | 179.8° |
| C2 | C3 | C4 | H2 | 179.6° | 180.0° |
| C3 | C2 | O6 | H20 | 0.3° | 90.0° |
| C6 | C5 | C7 | C8 | 0.5° | 0.0° |
| C6 | C5 | C4 | C3 | 0.4° | 0.1° |
| C6 | C5 | C7 | C4 | 179.3° | 179.9° |
| C6 | C5 | C7 | C20 | 179.7° | 180.0° |
| C5 | C6 | C1 | H1 | 179.7° | 179.8° |
| C6 | C5 | C4 | H2 | 179.6° | 180.0° |
| O2 | C12 | C11 | C10 | 179.7° | 179.9° |
| O2 | C12 | C11 | H4 | 0.3° | 0.0° |
| O2 | C12 | C13 | H5 | 0.3° | 0.3° |
| C12 | O2 | C15 | H7 | 12.4° | 60.0° |
| C12 | O2 | C15 | H8 | 131.8° | 60.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.1° |
| C12 | C11 | C10 | H4 | 180.0° | 179.9° |
| C12 | C11 | C10 | H3 | 179.9° | 179.9° |
| C11 | C12 | C13 | H5 | 179.9° | 179.7° |
| O3 | C16 | N1 | C17 | 0.5° | 0.0° |
| O3 | C16 | C15 | H7 | 19.9° | 120.1° |
| O3 | C16 | C15 | H8 | 139.3° | 120.0° |
| O3 | C16 | N1 | H9 | 179.5° | 179.9° |
| C16 | N1 | C17 | H9 | 180.0° | 179.9° |
| C16 | N1 | C17 | C18 | 153.1° | 136.4° |
| C16 | N1 | C17 | C19 | 140.8° | 155.0° |
| N1 | C16 | C15 | H7 | 160.5° | 60.0° |
| N1 | C16 | C15 | H8 | 41.0° | 60.0° |
| C16 | N1 | C17 | H10 | 23.7° | 9.3° |
| C9 | C8 | C7 | C5 | 179.9° | 180.0° |
| C9 | C8 | C7 | C20 | 0.1° | 0.1° |
| C8 | C9 | C10 | C11 | 179.7° | 180.0° |
| C8 | C9 | C10 | H3 | 0.3° | 0.0° |
| C8 | C9 | C14 | H6 | 0.3° | 0.2° |
| C10 | C9 | C8 | C7 | 85.8° | 180.0° |
| C9 | C10 | C11 | H3 | 180.0° | 180.0° |
| C9 | C10 | C11 | H4 | 180.0° | 180.0° |
| C10 | C9 | C14 | H6 | 179.9° | 180.0° |
| C8 | C7 | C5 | C20 | 179.8° | 180.0° |
| C8 | C7 | C5 | C4 | 179.8° | 180.0° |
| C8 | C7 | C20 | C21 | 63.2° | 20.1° |
| N1 | C17 | C18 | C19 | 122.8° | 107.5° |
| N1 | C17 | C18 | H10 | 130.0° | 145.0° |
| N1 | C17 | C19 | H10 | 164.6° | 145.0° |
| N1 | C17 | C18 | H11 | 128.4° | 145.0° |
| N1 | C17 | C18 | H12 | 13.9° | 0.0° |
| N1 | C17 | C19 | H13 | 160.8° | 0.0° |
| N1 | C17 | C19 | H14 | 20.1° | 145.0° |
| C28 | C3 | C4 | C5 | 179.7° | 180.0° |
| C3 | C28 | O4 | O5 | 179.6° | 180.0° |
| C28 | C3 | C4 | H2 | 0.2° | 0.1° |
| C3 | C28 | O5 | H19 | 179.6° | 180.0° |
| C3 | C4 | C5 | C7 | 179.6° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C4 | C3 | C28 | O4 | 66.5° | 180.0° |
| C4 | C3 | C28 | O5 | 113.9° | 0.1° |
| C5 | C7 | C20 | C21 | 117.0° | 159.9° |
| C7 | C5 | C4 | H2 | 0.4° | 0.1° |
| C4 | C5 | C7 | C20 | 0.3° | 0.0° |
| O4 | C28 | O5 | H19 | 0.0° | 0.0° |
| C7 | C20 | C21 | C22 | 8.9° | 144.2° |
| C17 | C18 | C19 | H11 | 108.9° | 107.5° |
| C17 | C18 | C19 | H12 | 108.9° | 107.5° |
| C18 | C17 | C19 | H10 | 105.9° | 107.5° |
| C18 | C17 | N1 | H9 | 26.9° | 43.7° |
| C17 | C18 | H11 | H12 | 146.0° | 145.7° |
| C17 | C18 | C19 | H13 | 109.7° | 107.5° |
| C17 | C18 | C19 | H14 | 109.6° | 107.5° |
| C19 | C18 | H11 | H12 | 145.9° | 145.7° |
| C18 | C19 | H13 | H14 | 144.4° | 145.7° |
| C19 | C17 | N1 | H9 | 39.2° | 25.0° |
| C17 | C19 | H13 | H14 | 144.4° | 145.7° |
| C20 | C21 | C22 | C23 | 5.8° | 56.2° |
| C20 | C21 | C22 | C27 | 174.3° | 124.1° |
| C24 | C23 | C22 | H15 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 179.8° | 180.0° |
| C23 | C24 | C25 | H16 | 180.0° | 180.0° |
| C24 | C23 | C22 | C27 | 0.1° | 0.3° |
| C23 | C24 | C25 | C26 | 0.0° | 0.0° |
| C23 | C24 | C25 | H17 | 180.0° | 180.0° |
| C23 | C22 | C21 | C27 | 179.9° | 179.7° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C23 | C22 | C27 | C26 | 0.0° | 0.6° |
| C22 | C23 | C24 | H16 | 179.9° | 180.0° |
| C23 | C22 | C27 | H18 | 180.0° | 179.7° |
| C21 | C22 | C27 | C26 | 179.9° | 179.8° |
| C21 | C22 | C23 | H15 | 0.2° | 0.1° |
| C21 | C22 | C27 | H18 | 0.1° | 0.1° |
| C24 | C25 | C26 | H17 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.2° |
| C24 | C25 | C26 | CL | 179.9° | 180.0° |
| C25 | C24 | C23 | H15 | 180.0° | 179.9° |
| C22 | C27 | C26 | C25 | 0.0° | 0.5° |
| C22 | C27 | C26 | H18 | 180.0° | 179.7° |
| C22 | C27 | C26 | CL | 179.9° | 179.7° |
| C27 | C22 | C23 | H15 | 179.9° | 179.8° |
| C25 | C26 | C27 | CL | 180.0° | 179.8° |
| C26 | C25 | C24 | H16 | 180.0° | 180.0° |
| C25 | C26 | C27 | H18 | 180.0° | 179.8° |
| C27 | C26 | C25 | H17 | 179.9° | 179.7° |
| CL | C26 | C25 | H17 | 0.1° | 0.0° |
| CL | C26 | C27 | H18 | 0.1° | 0.0° |
| H3 | C10 | C11 | H4 | 0.0° | 0.0° |
| H5 | C13 | C14 | H6 | 0.0° | 0.5° |
| H9 | N1 | C17 | H10 | 156.3° | 170.6° |
| H10 | C17 | C18 | H11 | 1.6° | 0.0° |
| H10 | C17 | C18 | H12 | 143.9° | 145.0° |
| H10 | C17 | C19 | H13 | 3.7° | 145.0° |
| H10 | C17 | C19 | H14 | 144.4° | 0.0° |
| H11 | C18 | C19 | H13 | 0.8° | 145.0° |
| H11 | C18 | C19 | H14 | 141.5° | 0.0° |
| H12 | C18 | C19 | H13 | 141.5° | 0.0° |
| H12 | C18 | C19 | H14 | 0.7° | 145.0° |
| H15 | C23 | C24 | H16 | 0.1° | 0.1° |
| H16 | C24 | C25 | H17 | 0.0° | 0.0° |
