AZ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL6 | C5 | sing | 1.74Å | 1.79Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | CL5 | sing | 1.74Å | 1.79Å | |
| C1 | C2 | sing | 1.39Å | 1.48Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.47Å | Aromatic |
| N9 | C8 | doub | 1.30Å | 1.34Å | Aromatic |
| C8 | N7 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | C10 | sing | 1.51Å | 1.51Å | |
| N7 | C2 | sing | 1.38Å | 1.35Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | C19 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C20 | O22 | doub | 1.21Å | 1.25Å | |
| C20 | O21 | sing | 1.34Å | 1.25Å | |
| C12 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | CL9 | sing | 1.74Å | 1.80Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL6 | C5 | C6 | 119.5° | 119.8° |
| CL6 | C5 | C4 | 118.1° | 119.7° |
| C6 | C5 | C4 | 122.3° | 120.5° |
| C5 | C6 | C1 | 120.8° | 120.5° |
| C5 | C6 | H6 | 119.6° | 119.8° |
| C5 | C4 | C3 | 120.6° | 119.8° |
| C5 | C4 | H4 | 119.7° | 120.2° |
| C6 | C1 | CL5 | 120.3° | 120.1° |
| C6 | C1 | C2 | 118.6° | 119.8° |
| C1 | C6 | H6 | 119.6° | 119.7° |
| CL5 | C1 | C2 | 121.1° | 120.1° |
| C1 | C2 | C3 | 118.1° | 119.9° |
| C1 | C2 | N7 | 135.9° | 134.0° |
| C4 | C3 | N9 | 133.8° | 133.6° |
| C4 | C3 | C2 | 119.5° | 119.5° |
| C3 | C4 | H4 | 119.7° | 120.1° |
| N9 | C3 | C2 | 106.7° | 106.9° |
| C3 | N9 | C8 | 108.7° | 109.7° |
| C3 | C2 | N7 | 106.0° | 106.0° |
| N9 | C8 | N7 | 110.5° | 110.1° |
| N9 | C8 | C10 | 124.7° | 125.0° |
| N7 | C8 | C10 | 124.7° | 124.9° |
| C8 | N7 | C2 | 108.0° | 107.3° |
| C8 | N7 | H7 | 126.0° | 126.4° |
| C8 | C10 | C11 | 117.5° | 109.4° |
| C8 | C10 | H101 | 107.4° | 109.5° |
| C8 | C10 | H102 | 107.4° | 109.5° |
| C2 | N7 | H7 | 126.0° | 126.3° |
| C10 | C11 | C19 | 119.4° | 109.5° |
| C10 | C11 | C12 | 114.6° | 109.5° |
| C11 | C10 | H101 | 107.4° | 109.5° |
| C11 | C10 | H102 | 107.4° | 109.5° |
| C10 | C11 | H11 | 102.3° | 109.5° |
| C19 | C11 | C12 | 112.6° | 109.5° |
| C11 | C19 | C20 | 122.9° | 109.5° |
| C19 | C11 | H11 | 102.2° | 109.5° |
| C11 | C19 | H191 | 106.0° | 109.5° |
| C11 | C19 | H192 | 106.0° | 109.5° |
| C11 | C12 | C17 | 118.9° | 120.0° |
| C11 | C12 | C13 | 121.7° | 120.0° |
| C12 | C11 | H11 | 102.6° | 109.4° |
| C19 | C20 | O22 | 118.2° | 120.0° |
| C19 | C20 | O21 | 119.8° | 120.0° |
| C20 | C19 | H191 | 106.0° | 109.5° |
| C20 | C19 | H192 | 106.0° | 109.5° |
| O22 | C20 | O21 | 122.0° | 120.0° |
| C20 | O21 | H21 | 109.5° | 117.0° |
| C17 | C12 | C13 | 119.3° | 120.0° |
| C12 | C17 | C16 | 120.4° | 120.0° |
| C12 | C17 | H17 | 119.8° | 120.0° |
| C12 | C13 | C14 | 120.3° | 120.0° |
| C12 | C13 | H13 | 119.8° | 120.0° |
| C17 | C16 | C15 | 120.5° | 120.0° |
| C16 | C17 | H17 | 119.8° | 120.0° |
| C17 | C16 | H16 | 119.8° | 120.0° |
| C16 | C15 | CL9 | 118.6° | 120.0° |
| C16 | C15 | C14 | 119.6° | 120.0° |
| C15 | C16 | H16 | 119.7° | 120.0° |
| CL9 | C15 | C14 | 121.8° | 120.0° |
| C15 | C14 | C13 | 119.8° | 120.0° |
| C15 | C14 | H14 | 120.1° | 120.0° |
| C14 | C13 | H13 | 119.8° | 119.9° |
| C13 | C14 | H14 | 120.1° | 120.0° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL6 | C5 | C6 | C4 | 179.7° | 179.8° |
| CL6 | C5 | C6 | C1 | 179.5° | 180.0° |
| CL6 | C5 | C4 | C3 | 179.7° | 180.0° |
| CL6 | C5 | C6 | H6 | 0.5° | 0.0° |
| CL6 | C5 | C4 | H4 | 0.3° | 0.1° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | CL5 | 179.9° | 180.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C6 | C5 | C4 | C3 | 0.0° | 0.2° |
| C6 | C5 | C4 | H4 | 180.0° | 179.7° |
| C4 | C5 | C6 | C1 | 0.1° | 0.3° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | N9 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.1° |
| C4 | C5 | C6 | H6 | 179.9° | 179.7° |
| C6 | C1 | CL5 | C2 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.3° |
| C6 | C1 | C2 | N7 | 180.0° | 179.8° |
| CL5 | C1 | C2 | C3 | 180.0° | 179.7° |
| CL5 | C1 | C2 | N7 | 0.1° | 0.2° |
| CL5 | C1 | C6 | H6 | 0.1° | 0.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.3° |
| C1 | C2 | C3 | N9 | 179.8° | 179.7° |
| C1 | C2 | C3 | N7 | 180.0° | 179.7° |
| C1 | C2 | N7 | C8 | 179.7° | 179.6° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C1 | C2 | N7 | H7 | 0.3° | 0.4° |
| C4 | C3 | N9 | C2 | 179.6° | 180.0° |
| C4 | C3 | N9 | C8 | 179.8° | 180.0° |
| C4 | C3 | C2 | N7 | 179.8° | 180.0° |
| C3 | N9 | C8 | N7 | 0.8° | 0.0° |
| C3 | N9 | C8 | C10 | 179.2° | 180.0° |
| N9 | C3 | C2 | N7 | 0.2° | 0.0° |
| N9 | C3 | C4 | H4 | 0.3° | 0.1° |
| C2 | C3 | N9 | C8 | 0.6° | 0.0° |
| C3 | C2 | N7 | C8 | 0.3° | 0.0° |
| C2 | C3 | C4 | H4 | 179.8° | 179.9° |
| C3 | C2 | N7 | H7 | 179.7° | 180.0° |
| N9 | C8 | N7 | C10 | 178.4° | 180.0° |
| N9 | C8 | N7 | C2 | 0.7° | 0.0° |
| N9 | C8 | C10 | C11 | 53.7° | 55.0° |
| N9 | C8 | N7 | H7 | 179.3° | 180.0° |
| N9 | C8 | C10 | H101 | 174.8° | 65.0° |
| N9 | C8 | C10 | H102 | 67.5° | 175.0° |
| C8 | N7 | C2 | H7 | 180.0° | 179.9° |
| N7 | C8 | C10 | C11 | 128.1° | 125.0° |
| N7 | C8 | C10 | H101 | 7.0° | 115.0° |
| N7 | C8 | C10 | H102 | 110.7° | 5.0° |
| C10 | C8 | N7 | C2 | 179.1° | 180.0° |
| C8 | C10 | C11 | H101 | 121.2° | 120.0° |
| C8 | C10 | C11 | H102 | 121.2° | 120.0° |
| C8 | C10 | C11 | C19 | 66.8° | 65.0° |
| C8 | C10 | C11 | C12 | 71.3° | 175.0° |
| C10 | C8 | N7 | H7 | 0.9° | 0.0° |
| C8 | C10 | H101 | H102 | 116.3° | 120.0° |
| C8 | C10 | C11 | H11 | 178.5° | 55.0° |
| C10 | C11 | C19 | C12 | 138.8° | 120.0° |
| C10 | C11 | C19 | H11 | 111.8° | 120.0° |
| C10 | C11 | C12 | H11 | 110.0° | 120.0° |
| C10 | C11 | C19 | C20 | 31.7° | 175.0° |
| C10 | C11 | C12 | C17 | 150.4° | 120.0° |
| C10 | C11 | C12 | C13 | 33.7° | 60.3° |
| C11 | C10 | H101 | H102 | 116.3° | 120.0° |
| C10 | C11 | C19 | H191 | 153.6° | 55.0° |
| C10 | C11 | C19 | H192 | 90.1° | 65.0° |
| C19 | C11 | C12 | H11 | 109.1° | 120.0° |
| C11 | C19 | C20 | H191 | 121.9° | 120.0° |
| C11 | C19 | C20 | H192 | 121.8° | 120.1° |
| C11 | C19 | C20 | O22 | 99.4° | 0.0° |
| C11 | C19 | C20 | O21 | 83.5° | 180.0° |
| C19 | C11 | C12 | C17 | 9.6° | 120.0° |
| C19 | C11 | C12 | C13 | 174.6° | 59.7° |
| C19 | C11 | C10 | H101 | 172.1° | 55.0° |
| C19 | C11 | C10 | H102 | 54.4° | 175.0° |
| C11 | C19 | H191 | H192 | 113.9° | 120.0° |
| C12 | C11 | C19 | C20 | 107.1° | 65.0° |
| C11 | C12 | C17 | C13 | 175.9° | 179.7° |
| C11 | C12 | C17 | C16 | 178.1° | 180.0° |
| C11 | C12 | C13 | C14 | 177.6° | 179.8° |
| C12 | C11 | C10 | H101 | 49.9° | 65.0° |
| C12 | C11 | C10 | H102 | 167.6° | 55.0° |
| C12 | C11 | C19 | H191 | 14.8° | 175.0° |
| C12 | C11 | C19 | H192 | 131.1° | 55.0° |
| C11 | C12 | C17 | H17 | 2.0° | 0.0° |
| C11 | C12 | C13 | H13 | 2.4° | 0.0° |
| C19 | C20 | O22 | O21 | 177.0° | 180.0° |
| C20 | C19 | C11 | H11 | 143.5° | 55.0° |
| C20 | C19 | H191 | H192 | 114.0° | 120.0° |
| C19 | C20 | O21 | H21 | 177.0° | 180.0° |
| O22 | C20 | C19 | H191 | 138.7° | 120.0° |
| O22 | C20 | C19 | H192 | 22.4° | 120.0° |
| O22 | C20 | O21 | H21 | 0.0° | 0.0° |
| O21 | C20 | C19 | H191 | 38.4° | 60.0° |
| O21 | C20 | C19 | H192 | 154.7° | 60.0° |
| C12 | C17 | C16 | H17 | 180.0° | 180.0° |
| C12 | C17 | C16 | C15 | 1.3° | 0.0° |
| C17 | C12 | C13 | C14 | 1.8° | 0.5° |
| C17 | C12 | C11 | H11 | 99.5° | 0.0° |
| C17 | C12 | C13 | H13 | 178.2° | 179.7° |
| C12 | C17 | C16 | H16 | 178.7° | 179.9° |
| C13 | C12 | C17 | C16 | 2.1° | 0.3° |
| C12 | C13 | C14 | C15 | 0.6° | 0.5° |
| C12 | C13 | C14 | H13 | 180.0° | 179.7° |
| C13 | C12 | C11 | H11 | 76.3° | 179.7° |
| C13 | C12 | C17 | H17 | 177.9° | 179.7° |
| C12 | C13 | C14 | H14 | 179.4° | 179.7° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | CL9 | 179.4° | 180.0° |
| C17 | C16 | C15 | C14 | 0.0° | 0.0° |
| C16 | C15 | CL9 | C14 | 179.4° | 179.9° |
| C16 | C15 | C14 | C13 | 0.3° | 0.2° |
| C15 | C16 | C17 | H17 | 178.7° | 180.0° |
| C16 | C15 | C14 | H14 | 179.7° | 180.0° |
| CL9 | C15 | C14 | C13 | 179.7° | 179.7° |
| CL9 | C15 | C16 | H16 | 0.6° | 0.1° |
| CL9 | C15 | C14 | H14 | 0.3° | 0.1° |
| C15 | C14 | C13 | H14 | 180.0° | 179.8° |
| C15 | C14 | C13 | H13 | 179.4° | 179.8° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| H101 | C10 | C11 | H11 | 60.4° | 175.0° |
| H102 | C10 | C11 | H11 | 57.3° | 65.0° |
| H11 | C11 | C19 | H191 | 94.6° | 65.1° |
| H11 | C11 | C19 | H192 | 21.7° | 175.0° |
| H17 | C17 | C16 | H16 | 1.3° | 0.1° |
| H13 | C13 | C14 | H14 | 0.6° | 0.0° |
