AVZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C | sing | 1.74Å | 1.73Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.48Å | 1.49Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | N | sing | 1.47Å | 1.46Å | |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| N | C4 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C8 | C6 | doub | 1.35Å | 1.39Å | Aromatic |
| C8 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| C6 | N1 | sing | 1.34Å | 1.37Å | Aromatic |
| N2 | C7 | sing | 1.35Å | 1.32Å | Aromatic |
| N1 | C7 | doub | 1.30Å | 1.34Å | Aromatic |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| N | H16 | sing | 1.01Å | 1.00Å | |
| N | H17 | sing | 1.01Å | 1.00Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C7 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C | C1 | 118.0° | 120.1° |
| CL | C | C11 | 120.3° | 120.1° |
| C17 | C16 | C15 | 120.3° | 120.1° |
| C16 | C17 | C12 | 120.8° | 119.9° |
| C16 | C17 | H6 | 119.6° | 120.0° |
| C17 | C16 | H7 | 119.9° | 120.0° |
| C16 | C15 | C14 | 119.7° | 120.2° |
| C15 | C16 | H7 | 119.8° | 120.0° |
| C16 | C15 | H8 | 120.1° | 119.8° |
| C17 | C12 | C11 | 120.9° | 120.1° |
| C17 | C12 | C13 | 118.1° | 119.7° |
| C12 | C17 | H6 | 119.6° | 120.1° |
| C15 | C14 | C13 | 120.3° | 120.2° |
| C14 | C15 | H8 | 120.2° | 119.9° |
| C15 | C14 | H9 | 119.8° | 119.9° |
| C1 | C | C11 | 121.7° | 119.8° |
| C | C1 | C2 | 120.4° | 120.1° |
| C | C1 | H13 | 119.8° | 119.9° |
| C | C11 | C12 | 123.9° | 120.1° |
| C | C11 | C10 | 117.4° | 119.8° |
| C11 | C12 | C13 | 121.0° | 120.2° |
| C12 | C11 | C10 | 118.7° | 120.1° |
| C12 | C13 | C14 | 120.8° | 119.9° |
| C12 | C13 | H10 | 119.6° | 120.0° |
| C1 | C2 | C3 | 120.4° | 119.9° |
| C1 | C2 | C9 | 118.4° | 120.3° |
| C2 | C1 | H13 | 119.8° | 119.9° |
| C11 | C10 | C9 | 120.9° | 119.8° |
| C11 | C10 | H11 | 119.5° | 120.1° |
| C13 | C14 | H9 | 119.8° | 119.9° |
| C14 | C13 | H10 | 119.6° | 120.1° |
| C3 | C2 | C9 | 121.1° | 119.8° |
| C2 | C3 | N | 113.3° | 109.5° |
| C2 | C3 | H14 | 108.5° | 109.4° |
| C2 | C3 | H15 | 108.5° | 109.5° |
| C2 | C9 | C10 | 121.2° | 120.1° |
| C2 | C9 | H12 | 119.4° | 119.9° |
| C3 | N | C4 | 112.5° | 109.4° |
| N | C3 | H14 | 108.5° | 109.5° |
| N | C3 | H15 | 108.5° | 109.5° |
| C3 | N | H16 | 108.7° | 109.4° |
| C3 | N | H17 | 108.7° | 109.4° |
| C9 | C10 | H11 | 119.6° | 120.0° |
| C10 | C9 | H12 | 119.4° | 119.9° |
| N | C4 | C5 | 112.6° | 109.4° |
| N | C4 | H2 | 108.7° | 109.5° |
| N | C4 | H3 | 108.7° | 109.5° |
| C4 | N | H16 | 108.7° | 109.5° |
| C4 | N | H17 | 108.7° | 109.5° |
| C4 | C5 | C6 | 112.7° | 109.5° |
| C5 | C4 | H2 | 108.7° | 109.5° |
| C5 | C4 | H3 | 108.7° | 109.5° |
| C4 | C5 | H4 | 108.7° | 109.5° |
| C4 | C5 | H5 | 108.7° | 109.5° |
| C5 | C6 | C8 | 127.6° | 126.0° |
| C5 | C6 | N1 | 127.6° | 126.0° |
| C6 | C5 | H4 | 108.6° | 109.4° |
| C6 | C5 | H5 | 108.7° | 109.5° |
| C6 | C8 | N2 | 109.3° | 106.8° |
| C8 | C6 | N1 | 104.8° | 108.0° |
| C6 | C8 | H18 | 125.4° | 126.6° |
| C8 | N2 | C7 | 106.4° | 107.2° |
| N2 | C8 | H18 | 125.4° | 126.6° |
| C8 | N2 | H19 | 126.8° | 126.5° |
| C6 | N1 | C7 | 108.6° | 109.3° |
| N2 | C7 | N1 | 111.0° | 108.7° |
| C7 | N2 | H19 | 126.8° | 126.4° |
| N2 | C7 | H20 | 124.5° | 125.6° |
| N1 | C7 | H20 | 124.5° | 125.7° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H14 | C3 | H15 | 109.5° | 109.5° |
| H16 | N | H17 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C | C1 | C11 | 179.3° | 180.0° |
| CL | C | C11 | C12 | 1.9° | 0.0° |
| CL | C | C1 | C2 | 179.0° | 180.0° |
| CL | C | C11 | C10 | 180.0° | 179.8° |
| CL | C | C1 | H13 | 1.0° | 0.1° |
| C17 | C16 | C15 | H7 | 180.0° | 180.0° |
| C16 | C17 | C12 | H6 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C16 | C17 | C12 | C11 | 179.7° | 180.0° |
| C16 | C17 | C12 | C13 | 0.2° | 0.2° |
| C17 | C16 | C15 | H8 | 179.9° | 179.9° |
| C15 | C16 | C17 | C12 | 0.2° | 0.1° |
| C16 | C15 | C14 | H8 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.0° | 0.3° |
| C15 | C16 | C17 | H6 | 179.8° | 180.0° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C17 | C12 | C11 | C | 112.1° | 49.8° |
| C17 | C12 | C11 | C13 | 179.9° | 179.8° |
| C17 | C12 | C11 | C10 | 66.0° | 130.0° |
| C17 | C12 | C13 | C14 | 0.1° | 0.5° |
| C12 | C17 | C16 | H7 | 179.8° | 179.9° |
| C17 | C12 | C13 | H10 | 180.0° | 179.7° |
| C15 | C14 | C13 | C12 | 0.0° | 0.5° |
| C15 | C14 | C13 | H9 | 180.0° | 179.7° |
| C14 | C15 | C16 | H7 | 179.9° | 180.0° |
| C15 | C14 | C13 | H10 | 179.9° | 179.7° |
| C1 | C | C11 | C12 | 177.5° | 180.0° |
| C | C1 | C2 | H13 | 180.0° | 179.9° |
| C1 | C | C11 | C10 | 0.7° | 0.2° |
| C | C1 | C2 | C3 | 176.8° | 180.0° |
| C | C1 | C2 | C9 | 1.1° | 0.3° |
| C | C11 | C12 | C10 | 178.1° | 179.8° |
| C | C11 | C12 | C13 | 67.8° | 130.0° |
| C11 | C | C1 | C2 | 0.3° | 0.0° |
| C | C11 | C10 | C9 | 0.9° | 0.2° |
| C | C11 | C10 | H11 | 179.2° | 179.9° |
| C11 | C | C1 | H13 | 179.7° | 180.0° |
| C11 | C12 | C13 | C14 | 179.9° | 179.7° |
| C12 | C11 | C10 | C9 | 177.4° | 180.0° |
| C11 | C12 | C17 | H6 | 0.2° | 0.0° |
| C11 | C12 | C13 | H10 | 0.1° | 0.1° |
| C12 | C11 | C10 | H11 | 2.6° | 0.2° |
| C13 | C12 | C11 | C10 | 114.1° | 50.2° |
| C12 | C13 | C14 | H10 | 180.0° | 179.8° |
| C13 | C12 | C17 | H6 | 179.8° | 179.8° |
| C12 | C13 | C14 | H9 | 180.0° | 179.8° |
| C1 | C2 | C3 | C9 | 177.9° | 179.7° |
| C1 | C2 | C3 | N | 131.8° | 90.3° |
| C1 | C2 | C9 | C10 | 0.9° | 0.3° |
| C1 | C2 | C9 | H12 | 179.1° | 179.8° |
| C1 | C2 | C3 | H14 | 11.3° | 29.7° |
| C1 | C2 | C3 | H15 | 107.6° | 149.7° |
| C11 | C10 | C9 | C2 | 0.1° | 0.1° |
| C11 | C10 | C9 | H11 | 180.0° | 179.9° |
| C11 | C10 | C9 | H12 | 179.9° | 180.0° |
| C13 | C14 | C15 | H8 | 180.0° | 179.8° |
| C2 | C3 | N | H14 | 120.5° | 119.9° |
| C2 | C3 | N | H15 | 120.5° | 120.0° |
| C3 | C2 | C9 | C10 | 177.0° | 180.0° |
| C2 | C3 | N | C4 | 175.3° | 180.0° |
| C3 | C2 | C9 | H12 | 3.0° | 0.1° |
| C3 | C2 | C1 | H13 | 3.1° | 0.1° |
| C2 | C3 | H14 | H15 | 118.3° | 120.0° |
| C2 | C3 | N | H16 | 64.2° | 60.0° |
| C2 | C3 | N | H17 | 54.9° | 60.0° |
| C9 | C2 | C3 | N | 50.3° | 90.0° |
| C2 | C9 | C10 | H12 | 180.0° | 179.9° |
| C2 | C9 | C10 | H11 | 179.9° | 179.8° |
| C9 | C2 | C1 | H13 | 178.9° | 179.8° |
| C9 | C2 | C3 | H14 | 170.8° | 150.0° |
| C9 | C2 | C3 | H15 | 70.2° | 30.0° |
| C3 | N | C4 | H16 | 120.5° | 120.0° |
| C3 | N | C4 | H17 | 120.5° | 119.9° |
| C3 | N | C4 | C5 | 105.5° | 180.0° |
| C3 | N | C4 | H2 | 134.0° | 60.0° |
| C3 | N | C4 | H3 | 14.9° | 60.0° |
| N | C3 | H14 | H15 | 118.3° | 120.0° |
| C3 | N | H16 | H17 | 118.6° | 119.9° |
| N | C4 | C5 | H2 | 120.5° | 120.0° |
| N | C4 | C5 | H3 | 120.5° | 120.0° |
| N | C4 | C5 | C6 | 161.7° | 180.0° |
| N | C4 | H2 | H3 | 118.6° | 120.0° |
| N | C4 | C5 | H4 | 77.8° | 60.0° |
| N | C4 | C5 | H5 | 41.3° | 60.0° |
| C4 | N | C3 | H14 | 54.8° | 60.0° |
| C4 | N | C3 | H15 | 64.1° | 60.0° |
| C4 | N | H16 | H17 | 118.6° | 120.1° |
| C4 | C5 | C6 | H4 | 120.5° | 120.0° |
| C4 | C5 | C6 | H5 | 120.5° | 120.0° |
| C4 | C5 | C6 | C8 | 47.8° | 125.0° |
| C4 | C5 | C6 | N1 | 131.7° | 55.1° |
| C5 | C4 | H2 | H3 | 118.6° | 120.0° |
| C4 | C5 | H4 | H5 | 118.5° | 120.0° |
| C5 | C4 | N | H16 | 14.9° | 60.0° |
| C5 | C4 | N | H17 | 134.0° | 60.1° |
| C5 | C6 | C8 | N1 | 179.6° | 180.0° |
| C5 | C6 | C8 | N2 | 179.6° | 179.9° |
| C5 | C6 | N1 | C7 | 179.6° | 180.0° |
| C6 | C5 | C4 | H2 | 41.3° | 60.0° |
| C6 | C5 | C4 | H3 | 77.8° | 60.0° |
| C6 | C5 | H4 | H5 | 118.5° | 120.0° |
| C5 | C6 | C8 | H18 | 0.4° | 0.0° |
| C6 | C8 | N2 | H18 | 180.0° | 180.0° |
| C6 | C8 | N2 | C7 | 0.0° | 0.0° |
| C8 | C6 | N1 | C7 | 0.0° | 0.0° |
| C8 | C6 | C5 | H4 | 72.7° | 5.0° |
| C8 | C6 | C5 | H5 | 168.3° | 115.0° |
| C6 | C8 | N2 | H19 | 180.0° | 179.9° |
| N2 | C8 | C6 | N1 | 0.0° | 0.0° |
| C8 | N2 | C7 | H19 | 180.0° | 179.9° |
| C8 | N2 | C7 | N1 | 0.1° | 0.1° |
| C8 | N2 | C7 | H20 | 180.0° | 180.0° |
| C6 | N1 | C7 | N2 | 0.1° | 0.1° |
| N1 | C6 | C5 | H4 | 107.8° | 175.1° |
| N1 | C6 | C5 | H5 | 11.3° | 65.0° |
| N1 | C6 | C8 | H18 | 180.0° | 180.0° |
| C6 | N1 | C7 | H20 | 180.0° | 180.0° |
| N2 | C7 | N1 | H20 | 180.0° | 179.9° |
| C7 | N2 | C8 | H18 | 179.9° | 180.0° |
| N1 | C7 | N2 | H19 | 179.9° | 180.0° |
| H2 | C4 | C5 | H4 | 161.7° | 60.0° |
| H2 | C4 | C5 | H5 | 79.2° | 180.0° |
| H2 | C4 | N | H16 | 105.5° | 179.9° |
| H2 | C4 | N | H17 | 13.5° | 60.0° |
| H3 | C4 | C5 | H4 | 42.7° | 180.0° |
| H3 | C4 | C5 | H5 | 161.7° | 60.0° |
| H3 | C4 | N | H16 | 135.4° | 59.9° |
| H3 | C4 | N | H17 | 105.6° | 180.0° |
| H6 | C17 | C16 | H7 | 0.2° | 0.1° |
| H7 | C16 | C15 | H8 | 0.1° | 0.1° |
| H8 | C15 | C14 | H9 | 0.0° | 0.0° |
| H9 | C14 | C13 | H10 | 0.1° | 0.1° |
| H11 | C10 | C9 | H12 | 0.1° | 0.1° |
| H14 | C3 | N | H16 | 175.3° | 60.0° |
| H14 | C3 | N | H17 | 65.7° | 180.0° |
| H15 | C3 | N | H16 | 56.4° | 180.0° |
| H15 | C3 | N | H17 | 175.4° | 60.0° |
| H18 | C8 | N2 | H19 | 0.0° | 0.1° |
| H19 | N2 | C7 | H20 | 0.0° | 0.1° |
