WUZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | C16 | sing | 1.54Å | 1.49Å | |
| O3 | C18 | doub | 1.21Å | 1.18Å | |
| C18 | N2 | sing | 1.34Å | 1.52Å | |
| C1 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C16 | C01 | sing | 1.53Å | 1.55Å | |
| N2 | C2 | sing | 1.40Å | 1.45Å | |
| N2 | C15 | sing | 1.34Å | 1.49Å | |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | O2 | doub | 1.21Å | 1.19Å | |
| O1 | C7 | doub | 1.22Å | 1.19Å | |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| CL1 | C11 | sing | 1.74Å | 1.78Å | |
| C5 | C7 | sing | 1.48Å | 1.53Å | |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | N1 | sing | 1.35Å | 1.45Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C14 | sing | 1.51Å | 1.53Å | |
| C8 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C14 | sing | 1.47Å | 1.45Å | |
| C13 | CL2 | sing | 1.74Å | 1.79Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 103.2° | 103.5° |
| C17 | C18 | O3 | 126.9° | 125.4° |
| C17 | C18 | N2 | 105.6° | 109.2° |
| C18 | C17 | H13 | 111.0° | 110.6° |
| C18 | C17 | H14 | 111.0° | 110.6° |
| C17 | C16 | C15 | 107.3° | 103.6° |
| C17 | C16 | C01 | 108.8° | 110.6° |
| C17 | C16 | H12 | 111.1° | 110.8° |
| C16 | C17 | H13 | 111.0° | 110.5° |
| C16 | C17 | H14 | 111.0° | 110.8° |
| O3 | C18 | N2 | 127.6° | 125.4° |
| C18 | N2 | C2 | 126.3° | 122.8° |
| C18 | N2 | C15 | 107.0° | 114.4° |
| C6 | C1 | C2 | 120.8° | 120.1° |
| C1 | C6 | C5 | 119.4° | 119.9° |
| C6 | C1 | H1 | 119.6° | 120.0° |
| C1 | C6 | H4 | 120.3° | 120.0° |
| C1 | C2 | N2 | 119.6° | 119.9° |
| C1 | C2 | C3 | 120.3° | 120.2° |
| C2 | C1 | H1 | 119.6° | 120.0° |
| C6 | C5 | C7 | 119.7° | 120.1° |
| C6 | C5 | C4 | 120.3° | 119.8° |
| C5 | C6 | H4 | 120.3° | 120.1° |
| C15 | C16 | C01 | 108.7° | 110.6° |
| C16 | C15 | N2 | 106.4° | 109.2° |
| C16 | C15 | O2 | 126.5° | 125.5° |
| C15 | C16 | H12 | 110.7° | 110.6° |
| C16 | C01 | H5 | 109.5° | 109.5° |
| C16 | C01 | H6 | 109.5° | 109.5° |
| C16 | C01 | H7 | 109.4° | 109.5° |
| C01 | C16 | H12 | 110.2° | 110.5° |
| C2 | N2 | C15 | 126.8° | 122.8° |
| N2 | C2 | C3 | 120.1° | 120.0° |
| N2 | C15 | O2 | 127.1° | 125.3° |
| C2 | C3 | C4 | 119.8° | 120.1° |
| C2 | C3 | H2 | 120.1° | 120.0° |
| O1 | C7 | C5 | 119.6° | 120.0° |
| O1 | C7 | N1 | 120.2° | 120.0° |
| C9 | C10 | C11 | 120.0° | 120.0° |
| C10 | C9 | C8 | 119.8° | 120.0° |
| C9 | C10 | H8 | 120.0° | 120.0° |
| C10 | C9 | H15 | 120.1° | 120.0° |
| C10 | C11 | CL1 | 119.8° | 120.0° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C11 | C10 | H8 | 120.0° | 120.0° |
| CL1 | C11 | C12 | 120.0° | 120.0° |
| C7 | C5 | C4 | 120.0° | 120.1° |
| C5 | C7 | N1 | 120.2° | 120.0° |
| C5 | C4 | C3 | 119.5° | 119.9° |
| C5 | C4 | H3 | 120.2° | 120.1° |
| C9 | C8 | C14 | 119.8° | 120.0° |
| C9 | C8 | C13 | 120.3° | 120.0° |
| C8 | C9 | H15 | 120.1° | 120.0° |
| C11 | C12 | C13 | 119.7° | 120.0° |
| C11 | C12 | H9 | 120.2° | 120.0° |
| C7 | N1 | C14 | 118.2° | 120.0° |
| C7 | N1 | H16 | 120.9° | 120.0° |
| C4 | C3 | H2 | 120.1° | 120.0° |
| C3 | C4 | H3 | 120.3° | 120.0° |
| C14 | C8 | C13 | 119.9° | 120.0° |
| C8 | C14 | N1 | 104.5° | 109.5° |
| C8 | C14 | H10 | 110.7° | 109.5° |
| C8 | C14 | H11 | 110.7° | 109.5° |
| C8 | C13 | C12 | 120.0° | 120.0° |
| C8 | C13 | CL2 | 120.3° | 120.0° |
| C12 | C13 | CL2 | 119.7° | 120.0° |
| C13 | C12 | H9 | 120.1° | 120.0° |
| N1 | C14 | H10 | 110.7° | 109.4° |
| N1 | C14 | H11 | 110.7° | 109.4° |
| C14 | N1 | H16 | 120.9° | 120.0° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H7 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.4° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H13 | 119.0° | 118.4° |
| C18 | C17 | C16 | H14 | 119.0° | 118.5° |
| C17 | C18 | O3 | N2 | 179.0° | 179.8° |
| C18 | C17 | C16 | C15 | 31.6° | 0.0° |
| C18 | C17 | C16 | C01 | 85.9° | 118.6° |
| C17 | C18 | N2 | C2 | 160.8° | 179.8° |
| C17 | C18 | N2 | C15 | 19.3° | 0.4° |
| C18 | C17 | C16 | H12 | 152.7° | 118.6° |
| C18 | C17 | H13 | H14 | 122.9° | 122.9° |
| C16 | C17 | C18 | O3 | 149.8° | 179.9° |
| C16 | C17 | C18 | N2 | 31.1° | 0.2° |
| C17 | C16 | C15 | C01 | 117.5° | 118.5° |
| C17 | C16 | C15 | H12 | 121.4° | 118.7° |
| C17 | C16 | C01 | H12 | 121.9° | 123.0° |
| C17 | C16 | C15 | N2 | 20.1° | 0.2° |
| C17 | C16 | C15 | O2 | 159.5° | 180.0° |
| C17 | C16 | C01 | H5 | 180.0° | 175.6° |
| C17 | C16 | C01 | H6 | 60.0° | 64.4° |
| C17 | C16 | C01 | H7 | 60.0° | 55.6° |
| C16 | C17 | H13 | H14 | 122.9° | 123.1° |
| O3 | C18 | N2 | C2 | 18.4° | 0.1° |
| O3 | C18 | N2 | C15 | 161.6° | 179.7° |
| O3 | C18 | C17 | H13 | 91.2° | 61.6° |
| O3 | C18 | C17 | H14 | 30.7° | 61.3° |
| C18 | N2 | C2 | C1 | 92.5° | 112.7° |
| C18 | N2 | C15 | C16 | 0.0° | 0.4° |
| C18 | N2 | C2 | C15 | 179.9° | 179.8° |
| C18 | N2 | C2 | C3 | 86.3° | 67.4° |
| C18 | N2 | C15 | O2 | 179.5° | 179.8° |
| N2 | C18 | C17 | H13 | 87.9° | 118.5° |
| N2 | C18 | C17 | H14 | 150.1° | 118.5° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C1 | C6 | C5 | H4 | 180.0° | 180.0° |
| C6 | C1 | C2 | N2 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 1.1° | 0.1° |
| C1 | C6 | C5 | C7 | 179.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.7° | 0.1° |
| C2 | C1 | C6 | C5 | 0.4° | 0.1° |
| C1 | C2 | N2 | C3 | 178.8° | 179.9° |
| C1 | C2 | N2 | C15 | 87.6° | 67.5° |
| C1 | C2 | C3 | C4 | 0.6° | 0.1° |
| C1 | C2 | C3 | H2 | 179.3° | 180.0° |
| C2 | C1 | C6 | H4 | 179.6° | 179.9° |
| C6 | C5 | C7 | O1 | 16.4° | 180.0° |
| C6 | C5 | C7 | C4 | 178.3° | 179.9° |
| C6 | C5 | C7 | N1 | 163.9° | 0.1° |
| C6 | C5 | C4 | C3 | 1.1° | 0.1° |
| C5 | C6 | C1 | H1 | 179.6° | 179.7° |
| C6 | C5 | C4 | H3 | 178.9° | 179.9° |
| C15 | C16 | C01 | H12 | 121.5° | 122.8° |
| C16 | C15 | N2 | C2 | 179.9° | 179.8° |
| C16 | C15 | N2 | O2 | 179.6° | 179.8° |
| C15 | C16 | C01 | H5 | 63.4° | 61.4° |
| C15 | C16 | C01 | H6 | 176.6° | 178.5° |
| C15 | C16 | C01 | H7 | 56.6° | 58.5° |
| C15 | C16 | C17 | H13 | 87.4° | 118.4° |
| C15 | C16 | C17 | H14 | 150.6° | 118.6° |
| C01 | C16 | C15 | N2 | 97.4° | 118.8° |
| C01 | C16 | C15 | O2 | 83.0° | 61.5° |
| C16 | C01 | H5 | H6 | 120.0° | 120.1° |
| C16 | C01 | H5 | H7 | 120.0° | 120.0° |
| C16 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | C16 | C17 | H13 | 155.1° | 0.1° |
| C01 | C16 | C17 | H14 | 33.1° | 122.9° |
| C2 | N2 | C15 | O2 | 0.5° | 0.0° |
| N2 | C2 | C3 | C4 | 179.4° | 180.0° |
| N2 | C2 | C1 | H1 | 0.2° | 0.3° |
| N2 | C2 | C3 | H2 | 0.6° | 0.0° |
| C15 | N2 | C2 | C3 | 93.6° | 112.4° |
| N2 | C15 | C16 | H12 | 141.5° | 118.5° |
| C2 | C3 | C4 | C5 | 0.4° | 0.1° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 178.9° | 179.7° |
| C2 | C3 | C4 | H3 | 179.6° | 179.9° |
| O2 | C15 | C16 | H12 | 38.1° | 61.3° |
| O1 | C7 | C5 | N1 | 179.7° | 179.9° |
| O1 | C7 | C5 | C4 | 161.8° | 0.1° |
| O1 | C7 | N1 | C14 | 1.1° | 0.0° |
| O1 | C7 | N1 | H16 | 178.9° | 180.0° |
| C9 | C10 | C11 | H8 | 180.0° | 179.8° |
| C9 | C10 | C11 | CL1 | 179.9° | 180.0° |
| C10 | C9 | C8 | H15 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C9 | C8 | C14 | 179.4° | 180.0° |
| C10 | C9 | C8 | C13 | 1.1° | 0.1° |
| C10 | C11 | CL1 | C12 | 179.8° | 180.0° |
| C11 | C10 | C9 | C8 | 0.4° | 0.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C11 | C10 | C9 | H15 | 179.6° | 180.0° |
| CL1 | C11 | C12 | C13 | 179.8° | 180.0° |
| CL1 | C11 | C10 | H8 | 0.1° | 0.2° |
| CL1 | C11 | C12 | H9 | 0.2° | 0.0° |
| C7 | C5 | C4 | C3 | 179.4° | 180.0° |
| C5 | C7 | N1 | C14 | 178.6° | 180.0° |
| C7 | C5 | C4 | H3 | 0.6° | 0.1° |
| C7 | C5 | C6 | H4 | 1.0° | 0.0° |
| C5 | C7 | N1 | H16 | 1.4° | 0.1° |
| C4 | C5 | C7 | N1 | 17.9° | 180.0° |
| C5 | C4 | C3 | H3 | 180.0° | 179.9° |
| C5 | C4 | C3 | H2 | 179.6° | 179.9° |
| C4 | C5 | C6 | H4 | 179.3° | 179.9° |
| C9 | C8 | C14 | C13 | 178.3° | 180.0° |
| C9 | C8 | C13 | C12 | 1.2° | 0.1° |
| C9 | C8 | C14 | N1 | 105.4° | 100.0° |
| C9 | C8 | C13 | CL2 | 179.7° | 180.0° |
| C8 | C9 | C10 | H8 | 179.6° | 179.8° |
| C9 | C8 | C14 | H10 | 135.4° | 20.0° |
| C9 | C8 | C14 | H11 | 13.8° | 140.1° |
| C11 | C12 | C13 | C8 | 0.6° | 0.0° |
| C11 | C12 | C13 | H9 | 180.0° | 180.0° |
| C11 | C12 | C13 | CL2 | 179.8° | 180.0° |
| C12 | C11 | C10 | H8 | 179.9° | 179.7° |
| C7 | N1 | C14 | C8 | 79.8° | 180.0° |
| C7 | N1 | C14 | H16 | 180.0° | 179.9° |
| C7 | N1 | C14 | H10 | 161.0° | 60.0° |
| C7 | N1 | C14 | H11 | 39.5° | 60.0° |
| C14 | C8 | C13 | C12 | 179.5° | 180.0° |
| C8 | C14 | N1 | H10 | 119.2° | 120.0° |
| C8 | C14 | N1 | H11 | 119.2° | 120.0° |
| C14 | C8 | C13 | CL2 | 1.4° | 0.0° |
| C8 | C14 | H10 | H11 | 122.3° | 120.0° |
| C14 | C8 | C9 | H15 | 0.6° | 0.0° |
| C8 | C14 | N1 | H16 | 100.3° | 0.0° |
| C8 | C13 | C12 | CL2 | 179.1° | 179.9° |
| C13 | C8 | C14 | N1 | 72.9° | 80.0° |
| C8 | C13 | C12 | H9 | 179.4° | 179.9° |
| C13 | C8 | C14 | H10 | 46.3° | 160.0° |
| C13 | C8 | C14 | H11 | 167.9° | 40.0° |
| C13 | C8 | C9 | H15 | 178.9° | 180.0° |
| N1 | C14 | H10 | H11 | 122.3° | 120.0° |
| CL2 | C13 | C12 | H9 | 0.2° | 0.0° |
| H1 | C1 | C6 | H4 | 0.4° | 0.2° |
| H2 | C3 | C4 | H3 | 0.4° | 0.1° |
| H5 | C01 | H6 | H7 | 120.0° | 119.9° |
| H5 | C01 | C16 | H12 | 58.1° | 61.4° |
| H6 | C01 | C16 | H12 | 61.9° | 58.6° |
| H7 | C01 | C16 | H12 | 178.1° | 178.6° |
| H8 | C10 | C9 | H15 | 0.4° | 0.3° |
| H10 | C14 | N1 | H16 | 18.9° | 120.0° |
| H11 | C14 | N1 | H16 | 140.5° | 120.0° |
| H12 | C16 | C17 | H13 | 33.7° | 123.0° |
| H12 | C16 | C17 | H14 | 88.3° | 0.0° |
