64N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C20 | doub | 1.22Å | 1.23Å | |
| C20 | N2 | sing | 1.35Å | 1.43Å | |
| C20 | C17 | sing | 1.48Å | 1.52Å | |
| C18 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C12 | sing | 1.48Å | 1.52Å | |
| O3 | C11 | sing | 1.36Å | 1.38Å | |
| C12 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| CL2 | C21 | sing | 1.74Å | 1.75Å | |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | O2 | sing | 1.36Å | 1.40Å | |
| O2 | C7 | sing | 1.36Å | 1.41Å | |
| C21 | C7 | doub | 1.39Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | CL1 | sing | 1.74Å | 1.72Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N1 | sing | 1.40Å | 1.45Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| N1 | C3 | sing | 1.35Å | 1.45Å | |
| C3 | O1 | doub | 1.21Å | 1.21Å | |
| C18 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C9 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C20 | N2 | 117.9° | 120.0° |
| O4 | C20 | C17 | 122.0° | 120.0° |
| N2 | C20 | C17 | 120.1° | 120.0° |
| C20 | N2 | H6 | 120.0° | 120.0° |
| C20 | N2 | H7 | 120.0° | 120.0° |
| C20 | C17 | C18 | 120.8° | 120.0° |
| C20 | C17 | C16 | 120.5° | 120.0° |
| C17 | C18 | C19 | 120.8° | 120.0° |
| C18 | C17 | C16 | 118.7° | 119.9° |
| C17 | C18 | H1 | 119.6° | 120.0° |
| C18 | C19 | C14 | 120.7° | 120.0° |
| C19 | C18 | H1 | 119.6° | 120.0° |
| C18 | C19 | H14 | 119.7° | 120.0° |
| C17 | C16 | C15 | 120.1° | 120.0° |
| C17 | C16 | H3 | 120.0° | 120.0° |
| C19 | C14 | C15 | 118.4° | 120.1° |
| C19 | C14 | C12 | 120.7° | 120.0° |
| C14 | C19 | H14 | 119.7° | 120.0° |
| C16 | C15 | C14 | 121.4° | 120.0° |
| C15 | C16 | H3 | 120.0° | 120.0° |
| C16 | C15 | H4 | 119.3° | 120.0° |
| C15 | C14 | C12 | 120.9° | 120.0° |
| C14 | C15 | H4 | 119.3° | 120.0° |
| C14 | C12 | C11 | 124.2° | 120.1° |
| C14 | C12 | C13 | 118.1° | 120.1° |
| O3 | C11 | C12 | 120.8° | 120.1° |
| O3 | C11 | C10 | 120.5° | 120.1° |
| C11 | O3 | H9 | 109.5° | 114.0° |
| C11 | C12 | C13 | 117.7° | 119.7° |
| C12 | C11 | C10 | 118.7° | 119.9° |
| C12 | C13 | C8 | 124.2° | 119.9° |
| C12 | C13 | H2 | 117.9° | 120.0° |
| C11 | C10 | C9 | 123.3° | 120.2° |
| C11 | C10 | H5 | 118.4° | 119.9° |
| C13 | C8 | C9 | 117.6° | 120.2° |
| C13 | C8 | O2 | 116.6° | 119.9° |
| C8 | C13 | H2 | 117.9° | 120.1° |
| C10 | C9 | C8 | 118.6° | 120.2° |
| C9 | C10 | H5 | 118.3° | 119.9° |
| C10 | C9 | H18 | 120.7° | 119.9° |
| CL2 | C21 | C7 | 127.7° | 120.0° |
| CL2 | C21 | C22 | 113.0° | 120.0° |
| C9 | C8 | O2 | 125.7° | 119.9° |
| C8 | C9 | H18 | 120.7° | 119.9° |
| C8 | O2 | C7 | 126.5° | 118.0° |
| O2 | C7 | C21 | 122.8° | 120.0° |
| O2 | C7 | C6 | 119.7° | 120.0° |
| C7 | C21 | C22 | 119.3° | 120.0° |
| C21 | C7 | C6 | 117.3° | 120.0° |
| C21 | C22 | C4 | 123.0° | 120.0° |
| C21 | C22 | H17 | 118.5° | 120.0° |
| C7 | C6 | CL1 | 121.9° | 120.0° |
| C7 | C6 | C5 | 121.9° | 120.0° |
| C22 | C4 | C5 | 117.7° | 120.0° |
| C22 | C4 | N1 | 123.9° | 120.0° |
| C4 | C22 | H17 | 118.5° | 120.0° |
| CL1 | C6 | C5 | 116.2° | 120.0° |
| C6 | C5 | C4 | 120.8° | 120.0° |
| C6 | C5 | H8 | 119.6° | 120.0° |
| C1 | C2 | C3 | 117.4° | 109.4° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.4° | 109.4° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C1 | C2 | H15 | 107.5° | 109.5° |
| C1 | C2 | H16 | 107.5° | 109.5° |
| C5 | C4 | N1 | 118.4° | 120.0° |
| C4 | C5 | H8 | 119.6° | 120.0° |
| C4 | N1 | C3 | 128.4° | 120.0° |
| C4 | N1 | H10 | 115.8° | 120.0° |
| C2 | C3 | N1 | 123.6° | 120.0° |
| C2 | C3 | O1 | 116.9° | 120.0° |
| C3 | C2 | H15 | 107.5° | 109.5° |
| C3 | C2 | H16 | 107.4° | 109.4° |
| N1 | C3 | O1 | 119.5° | 120.0° |
| C3 | N1 | H10 | 115.8° | 120.0° |
| H6 | N2 | H7 | 120.1° | 120.0° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.4° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H15 | C2 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C20 | N2 | C17 | 177.5° | 179.9° |
| O4 | C20 | C17 | C18 | 15.4° | 0.0° |
| O4 | C20 | C17 | C16 | 163.4° | 180.0° |
| O4 | C20 | N2 | H6 | 0.0° | 0.1° |
| O4 | C20 | N2 | H7 | 180.0° | 180.0° |
| N2 | C20 | C17 | C18 | 167.3° | 180.0° |
| N2 | C20 | C17 | C16 | 13.9° | 0.1° |
| C20 | N2 | H6 | H7 | 180.0° | 180.0° |
| C20 | C17 | C18 | C16 | 178.8° | 180.0° |
| C20 | C17 | C18 | C19 | 179.2° | 179.9° |
| C20 | C17 | C16 | C15 | 179.0° | 180.0° |
| C20 | C17 | C18 | H1 | 0.7° | 0.3° |
| C20 | C17 | C16 | H3 | 1.0° | 0.0° |
| C17 | C20 | N2 | H6 | 177.5° | 180.0° |
| C17 | C20 | N2 | H7 | 2.5° | 0.0° |
| C17 | C18 | C19 | H1 | 180.0° | 179.8° |
| C17 | C18 | C19 | C14 | 0.0° | 0.1° |
| C18 | C17 | C16 | C15 | 0.2° | 0.0° |
| C18 | C17 | C16 | H3 | 179.8° | 180.0° |
| C17 | C18 | C19 | H14 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.4° | 0.1° |
| C18 | C19 | C14 | H14 | 180.0° | 179.9° |
| C18 | C19 | C14 | C15 | 0.6° | 0.0° |
| C18 | C19 | C14 | C12 | 178.5° | 179.9° |
| C17 | C16 | C15 | H3 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.4° | 0.1° |
| C16 | C17 | C18 | H1 | 179.6° | 179.8° |
| C17 | C16 | C15 | H4 | 179.6° | 180.0° |
| C19 | C14 | C15 | C16 | 0.8° | 0.0° |
| C19 | C14 | C15 | C12 | 177.9° | 180.0° |
| C19 | C14 | C12 | C11 | 76.8° | 130.0° |
| C19 | C14 | C12 | C13 | 102.8° | 50.0° |
| C14 | C19 | C18 | H1 | 180.0° | 179.7° |
| C19 | C14 | C15 | H4 | 179.2° | 180.0° |
| C16 | C15 | C14 | H4 | 180.0° | 180.0° |
| C16 | C15 | C14 | C12 | 178.7° | 180.0° |
| C15 | C14 | C12 | C11 | 105.4° | 50.1° |
| C15 | C14 | C12 | C13 | 75.0° | 130.0° |
| C14 | C15 | C16 | H3 | 179.6° | 180.0° |
| C15 | C14 | C19 | H14 | 179.4° | 179.9° |
| C14 | C12 | C11 | O3 | 0.3° | 0.1° |
| C14 | C12 | C11 | C13 | 179.6° | 179.9° |
| C14 | C12 | C11 | C10 | 179.8° | 179.9° |
| C14 | C12 | C13 | C8 | 179.5° | 179.9° |
| C14 | C12 | C13 | H2 | 0.5° | 0.3° |
| C12 | C14 | C15 | H4 | 1.3° | 0.0° |
| C12 | C14 | C19 | H14 | 1.6° | 0.1° |
| O3 | C11 | C12 | C10 | 179.9° | 180.0° |
| O3 | C11 | C12 | C13 | 180.0° | 180.0° |
| O3 | C11 | C10 | C9 | 179.5° | 180.0° |
| O3 | C11 | C10 | H5 | 0.5° | 0.0° |
| C11 | C12 | C13 | C8 | 0.8° | 0.0° |
| C12 | C11 | C10 | C9 | 0.4° | 0.0° |
| C11 | C12 | C13 | H2 | 179.2° | 179.7° |
| C12 | C11 | C10 | H5 | 179.6° | 180.0° |
| C12 | C11 | O3 | H9 | 180.0° | 90.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C12 | C13 | C8 | H2 | 180.0° | 179.7° |
| C12 | C13 | C8 | C9 | 0.9° | 0.0° |
| C12 | C13 | C8 | O2 | 179.2° | 179.8° |
| C11 | C10 | C9 | H5 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.3° | 0.1° |
| C10 | C11 | O3 | H9 | 0.1° | 90.0° |
| C11 | C10 | C9 | H18 | 179.7° | 180.0° |
| C13 | C8 | C9 | C10 | 0.4° | 0.0° |
| C13 | C8 | C9 | O2 | 178.0° | 179.8° |
| C13 | C8 | O2 | C7 | 167.4° | 180.0° |
| C13 | C8 | C9 | H18 | 179.6° | 180.0° |
| C10 | C9 | C8 | H18 | 180.0° | 179.9° |
| C10 | C9 | C8 | O2 | 178.4° | 179.7° |
| CL2 | C21 | C7 | O2 | 4.0° | 0.3° |
| CL2 | C21 | C7 | C22 | 178.2° | 180.0° |
| CL2 | C21 | C7 | C6 | 179.5° | 180.0° |
| CL2 | C21 | C22 | C4 | 179.6° | 180.0° |
| CL2 | C21 | C22 | H17 | 0.3° | 0.0° |
| C9 | C8 | O2 | C7 | 14.6° | 0.2° |
| C9 | C8 | C13 | H2 | 179.1° | 179.8° |
| C8 | C9 | C10 | H5 | 179.7° | 180.0° |
| C8 | O2 | C7 | C21 | 114.2° | 89.8° |
| C8 | O2 | C7 | C6 | 70.4° | 90.0° |
| O2 | C8 | C13 | H2 | 0.8° | 0.0° |
| O2 | C8 | C9 | H18 | 1.6° | 0.2° |
| O2 | C7 | C21 | C6 | 175.5° | 179.8° |
| O2 | C7 | C21 | C22 | 177.8° | 179.7° |
| O2 | C7 | C6 | CL1 | 3.4° | 0.1° |
| O2 | C7 | C6 | C5 | 177.5° | 180.0° |
| C7 | C21 | C22 | C4 | 1.9° | 0.0° |
| C21 | C7 | C6 | CL1 | 179.1° | 179.7° |
| C21 | C7 | C6 | C5 | 1.8° | 0.3° |
| C7 | C21 | C22 | H17 | 178.1° | 180.0° |
| C22 | C21 | C7 | C6 | 2.3° | 0.0° |
| C21 | C22 | C4 | H17 | 180.0° | 180.0° |
| C21 | C22 | C4 | C5 | 0.9° | 0.3° |
| C21 | C22 | C4 | N1 | 179.7° | 179.8° |
| C7 | C6 | CL1 | C5 | 179.1° | 180.0° |
| C7 | C6 | C5 | C4 | 0.8° | 0.6° |
| C7 | C6 | C5 | H8 | 179.2° | 180.0° |
| C22 | C4 | C5 | C6 | 0.3° | 0.6° |
| C22 | C4 | C5 | N1 | 179.5° | 179.9° |
| C22 | C4 | N1 | C3 | 32.7° | 144.9° |
| C22 | C4 | C5 | H8 | 179.7° | 180.0° |
| C22 | C4 | N1 | H10 | 147.3° | 35.2° |
| CL1 | C6 | C5 | C4 | 180.0° | 179.4° |
| CL1 | C6 | C5 | H8 | 0.1° | 0.0° |
| C6 | C5 | C4 | H8 | 180.0° | 179.4° |
| C6 | C5 | C4 | N1 | 179.8° | 179.5° |
| C1 | C2 | C3 | H15 | 121.2° | 120.0° |
| C1 | C2 | C3 | H16 | 121.1° | 120.0° |
| C1 | C2 | C3 | N1 | 95.1° | 179.9° |
| C1 | C2 | C3 | O1 | 84.1° | 0.0° |
| C2 | C1 | H11 | H12 | 120.0° | 119.9° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | H15 | H16 | 116.4° | 120.0° |
| C5 | C4 | N1 | C3 | 147.9° | 35.0° |
| C5 | C4 | N1 | H10 | 32.1° | 144.9° |
| C5 | C4 | C22 | H17 | 179.1° | 179.7° |
| C4 | N1 | C3 | C2 | 1.4° | 175.4° |
| C4 | N1 | C3 | H10 | 180.0° | 179.9° |
| C4 | N1 | C3 | O1 | 179.5° | 4.5° |
| N1 | C4 | C5 | H8 | 0.2° | 0.1° |
| N1 | C4 | C22 | H17 | 0.3° | 0.2° |
| C2 | C3 | N1 | O1 | 179.2° | 179.9° |
| C2 | C3 | N1 | H10 | 178.7° | 4.7° |
| C3 | C2 | C1 | H11 | 180.0° | 60.0° |
| C3 | C2 | C1 | H12 | 60.0° | 180.0° |
| C3 | C2 | C1 | H13 | 60.0° | 60.0° |
| C3 | C2 | H15 | H16 | 116.4° | 120.0° |
| N1 | C3 | C2 | H15 | 143.8° | 60.0° |
| N1 | C3 | C2 | H16 | 26.0° | 60.0° |
| O1 | C3 | N1 | H10 | 0.5° | 175.4° |
| O1 | C3 | C2 | H15 | 37.1° | 120.0° |
| O1 | C3 | C2 | H16 | 154.8° | 120.0° |
| H1 | C18 | C19 | H14 | 0.0° | 0.1° |
| H3 | C16 | C15 | H4 | 0.4° | 0.0° |
| H5 | C10 | C9 | H18 | 0.3° | 0.0° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H11 | C1 | C2 | H15 | 58.8° | 180.0° |
| H11 | C1 | C2 | H16 | 58.9° | 59.9° |
| H12 | C1 | C2 | H15 | 61.2° | 60.0° |
| H12 | C1 | C2 | H16 | 178.9° | 60.1° |
| H13 | C1 | C2 | H15 | 178.8° | 59.9° |
| H13 | C1 | C2 | H16 | 61.1° | 180.0° |
