89Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.54Å | 1.51Å | |
| C10 | C9 | sing | 1.55Å | 1.51Å | |
| C11 | C7 | sing | 1.54Å | 1.53Å | |
| C9 | C8 | sing | 1.55Å | 1.53Å | |
| C7 | C8 | sing | 1.54Å | 1.54Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.39Å | 1.36Å | Aromatic |
| C12 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| O3 | C6 | sing | 1.43Å | 1.44Å | |
| O3 | C5 | sing | 1.36Å | 1.37Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.37Å | Aromatic |
| O1 | C1 | doub | 1.22Å | 1.24Å | |
| C14 | C1 | sing | 1.47Å | 1.42Å | |
| C14 | C3 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | N1 | sing | 1.35Å | 1.35Å | |
| C3 | C2 | sing | 1.48Å | 1.42Å | |
| N1 | N2 | doub | 1.23Å | 1.40Å | |
| C2 | N2 | sing | 1.35Å | 1.34Å | |
| C2 | O2 | doub | 1.21Å | 1.24Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 106.8° | 104.2° |
| C10 | C11 | C7 | 105.0° | 106.6° |
| C10 | C11 | H4 | 110.6° | 110.0° |
| C10 | C11 | H5 | 110.6° | 110.1° |
| C11 | C10 | H11 | 110.1° | 110.5° |
| C11 | C10 | H12 | 110.1° | 110.5° |
| C10 | C9 | C8 | 108.6° | 102.7° |
| C10 | C9 | H9 | 109.7° | 110.7° |
| C10 | C9 | H10 | 109.7° | 110.9° |
| C9 | C10 | H11 | 110.2° | 110.5° |
| C9 | C10 | H12 | 110.1° | 110.4° |
| C11 | C7 | C8 | 106.2° | 106.6° |
| C11 | C7 | C6 | 110.6° | 110.0° |
| C7 | C11 | H4 | 110.6° | 110.1° |
| C7 | C11 | H5 | 110.6° | 110.0° |
| C11 | C7 | H6 | 109.3° | 110.0° |
| C9 | C8 | C7 | 104.9° | 104.2° |
| C9 | C8 | H7 | 110.6° | 110.4° |
| C9 | C8 | H8 | 110.6° | 110.6° |
| C8 | C9 | H9 | 109.7° | 110.8° |
| C8 | C9 | H10 | 109.7° | 110.8° |
| C8 | C7 | C6 | 112.1° | 110.0° |
| C8 | C7 | H6 | 109.1° | 110.1° |
| C7 | C8 | H7 | 110.6° | 110.5° |
| C7 | C8 | H8 | 110.6° | 110.5° |
| C7 | C6 | O3 | 108.4° | 109.5° |
| C7 | C6 | H2 | 109.7° | 109.5° |
| C7 | C6 | H3 | 109.8° | 109.5° |
| C6 | C7 | H6 | 109.5° | 110.0° |
| C13 | C12 | C5 | 120.5° | 120.6° |
| C12 | C13 | C14 | 120.3° | 119.4° |
| C13 | C12 | H13 | 119.8° | 119.7° |
| C12 | C13 | H14 | 119.9° | 120.3° |
| C12 | C5 | O3 | 115.1° | 119.7° |
| C12 | C5 | C4 | 120.2° | 120.5° |
| C5 | C12 | H13 | 119.7° | 119.7° |
| C6 | O3 | C5 | 117.2° | 117.0° |
| O3 | C6 | H2 | 109.7° | 109.5° |
| O3 | C6 | H3 | 109.7° | 109.5° |
| O3 | C5 | C4 | 124.7° | 119.8° |
| C13 | C14 | C1 | 119.9° | 122.9° |
| C13 | C14 | C3 | 119.7° | 120.1° |
| C14 | C13 | H14 | 119.8° | 120.3° |
| C5 | C4 | C3 | 119.7° | 119.3° |
| C5 | C4 | H1 | 120.1° | 120.4° |
| O1 | C1 | C14 | 124.2° | 120.7° |
| O1 | C1 | N1 | 117.9° | 120.6° |
| C1 | C14 | C3 | 120.4° | 116.9° |
| C14 | C1 | N1 | 117.9° | 118.7° |
| C14 | C3 | C4 | 119.6° | 120.1° |
| C14 | C3 | C2 | 120.0° | 117.0° |
| C4 | C3 | C2 | 120.4° | 123.0° |
| C3 | C4 | H1 | 120.2° | 120.3° |
| C1 | N1 | N2 | 121.4° | 124.4° |
| C3 | C2 | N2 | 117.9° | 118.6° |
| C3 | C2 | O2 | 123.9° | 120.7° |
| N1 | N2 | C2 | 122.4° | 124.4° |
| N2 | C2 | O2 | 118.2° | 120.6° |
| H2 | C6 | H3 | 109.4° | 109.5° |
| H4 | C11 | H5 | 109.5° | 110.0° |
| H7 | C8 | H8 | 109.5° | 110.4° |
| H9 | C9 | H10 | 109.4° | 110.7° |
| H11 | C10 | H12 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H11 | 119.6° | 118.7° |
| C11 | C10 | C9 | H12 | 119.6° | 118.7° |
| C10 | C11 | C7 | H4 | 119.3° | 119.3° |
| C10 | C11 | C7 | H5 | 119.3° | 119.3° |
| C11 | C10 | C9 | C8 | 12.4° | 37.9° |
| C10 | C11 | C7 | C8 | 29.8° | 0.0° |
| C10 | C11 | C7 | C6 | 151.6° | 119.3° |
| C10 | C11 | H4 | H5 | 122.1° | 121.4° |
| C10 | C11 | C7 | H6 | 87.8° | 119.3° |
| C11 | C10 | C9 | H9 | 107.5° | 80.4° |
| C11 | C10 | C9 | H10 | 132.3° | 156.3° |
| C11 | C10 | H11 | H12 | 121.2° | 122.7° |
| C9 | C10 | C11 | C7 | 25.8° | 23.6° |
| C10 | C9 | C8 | H9 | 119.9° | 118.3° |
| C10 | C9 | C8 | H10 | 119.9° | 118.5° |
| C10 | C9 | C8 | C7 | 6.1° | 38.0° |
| C9 | C10 | C11 | H4 | 145.1° | 142.9° |
| C9 | C10 | C11 | H5 | 93.4° | 95.7° |
| C10 | C9 | C8 | H7 | 113.2° | 156.6° |
| C10 | C9 | C8 | H8 | 125.4° | 80.8° |
| C10 | C9 | H9 | H10 | 120.3° | 123.4° |
| C9 | C10 | H11 | H12 | 121.2° | 122.5° |
| C11 | C7 | C8 | C9 | 22.0° | 23.7° |
| C11 | C7 | C8 | C6 | 120.9° | 119.3° |
| C11 | C7 | C8 | H6 | 117.7° | 119.3° |
| C11 | C7 | C6 | H6 | 120.4° | 121.4° |
| C11 | C7 | C6 | O3 | 65.8° | 175.0° |
| C11 | C7 | C6 | H2 | 54.0° | 55.0° |
| C11 | C7 | C6 | H3 | 174.3° | 65.0° |
| C7 | C11 | H4 | H5 | 122.1° | 121.4° |
| C11 | C7 | C8 | H7 | 97.3° | 142.3° |
| C11 | C7 | C8 | H8 | 141.2° | 95.2° |
| C7 | C11 | C10 | H11 | 145.4° | 95.1° |
| C7 | C11 | C10 | H12 | 93.7° | 142.3° |
| C9 | C8 | C7 | H7 | 119.3° | 118.6° |
| C9 | C8 | C7 | H8 | 119.3° | 118.8° |
| C9 | C8 | C7 | C6 | 142.9° | 142.9° |
| C9 | C8 | C7 | H6 | 95.7° | 95.7° |
| C9 | C8 | H7 | H8 | 122.1° | 122.6° |
| C8 | C9 | H9 | H10 | 120.4° | 123.3° |
| C8 | C9 | C10 | H11 | 131.9° | 80.8° |
| C8 | C9 | C10 | H12 | 107.2° | 156.7° |
| C8 | C7 | C6 | H6 | 121.3° | 121.4° |
| C8 | C7 | C6 | O3 | 175.8° | 67.8° |
| C8 | C7 | C6 | H2 | 64.3° | 172.1° |
| C8 | C7 | C6 | H3 | 56.0° | 52.1° |
| C8 | C7 | C11 | H4 | 149.0° | 119.3° |
| C8 | C7 | C11 | H5 | 89.5° | 119.3° |
| C7 | C8 | H7 | H8 | 122.2° | 122.6° |
| C7 | C8 | C9 | H9 | 126.0° | 80.3° |
| C7 | C8 | C9 | H10 | 113.8° | 156.5° |
| C7 | C6 | O3 | H2 | 119.8° | 120.0° |
| C7 | C6 | O3 | H3 | 119.8° | 120.0° |
| C7 | C6 | O3 | C5 | 175.4° | 180.0° |
| C7 | C6 | H2 | H3 | 120.5° | 120.0° |
| C6 | C7 | C11 | H4 | 89.1° | 0.0° |
| C6 | C7 | C11 | H5 | 32.4° | 121.4° |
| C6 | C7 | C8 | H7 | 23.6° | 98.5° |
| C6 | C7 | C8 | H8 | 97.9° | 24.1° |
| C13 | C12 | C5 | H13 | 180.0° | 180.0° |
| C13 | C12 | C5 | O3 | 178.5° | 180.0° |
| C12 | C13 | C14 | H14 | 180.0° | 180.0° |
| C13 | C12 | C5 | C4 | 3.3° | 0.0° |
| C12 | C13 | C14 | C1 | 179.9° | 180.0° |
| C12 | C13 | C14 | C3 | 1.0° | 0.0° |
| C12 | C5 | O3 | C6 | 163.0° | 0.1° |
| C12 | C5 | O3 | C4 | 178.1° | 179.9° |
| C5 | C12 | C13 | C14 | 1.4° | 0.0° |
| C12 | C5 | C4 | C3 | 2.8° | 0.1° |
| C12 | C5 | C4 | H1 | 177.2° | 179.8° |
| C5 | C12 | C13 | H14 | 178.6° | 180.0° |
| C6 | O3 | C5 | C4 | 18.9° | 180.0° |
| O3 | C6 | H2 | H3 | 120.5° | 120.0° |
| O3 | C6 | C7 | H6 | 54.6° | 53.6° |
| O3 | C5 | C4 | C3 | 179.2° | 180.0° |
| O3 | C5 | C4 | H1 | 0.8° | 0.3° |
| C5 | O3 | C6 | H2 | 55.6° | 60.1° |
| C5 | O3 | C6 | H3 | 64.7° | 60.0° |
| O3 | C5 | C12 | H13 | 1.5° | 0.1° |
| C13 | C14 | C1 | O1 | 1.5° | 0.0° |
| C13 | C14 | C1 | C3 | 178.9° | 180.0° |
| C13 | C14 | C3 | C4 | 1.5° | 0.0° |
| C13 | C14 | C1 | N1 | 179.4° | 180.0° |
| C13 | C14 | C3 | C2 | 177.7° | 179.8° |
| C14 | C13 | C12 | H13 | 178.6° | 180.0° |
| C5 | C4 | C3 | C14 | 0.4° | 0.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 179.6° | 179.8° |
| C4 | C5 | C12 | H13 | 176.7° | 180.0° |
| O1 | C1 | C14 | N1 | 179.1° | 180.0° |
| O1 | C1 | C14 | C3 | 179.6° | 180.0° |
| O1 | C1 | N1 | N2 | 179.7° | 179.8° |
| C1 | C14 | C3 | C4 | 179.7° | 180.0° |
| C1 | C14 | C3 | C2 | 1.1° | 0.2° |
| C14 | C1 | N1 | N2 | 1.1° | 0.2° |
| C1 | C14 | C13 | H14 | 0.1° | 0.0° |
| C14 | C3 | C4 | C2 | 179.2° | 179.8° |
| C3 | C14 | C1 | N1 | 0.5° | 0.0° |
| C14 | C3 | C2 | N2 | 2.2° | 0.2° |
| C14 | C3 | C2 | O2 | 179.2° | 179.8° |
| C14 | C3 | C4 | H1 | 179.6° | 179.8° |
| C3 | C14 | C13 | H14 | 179.0° | 180.0° |
| C4 | C3 | C2 | N2 | 178.6° | 180.0° |
| C4 | C3 | C2 | O2 | 0.1° | 0.1° |
| C1 | N1 | N2 | C2 | 0.0° | 0.2° |
| C3 | C2 | N2 | N1 | 1.6° | 0.0° |
| C3 | C2 | N2 | O2 | 178.6° | 179.9° |
| C2 | C3 | C4 | H1 | 0.4° | 0.0° |
| N1 | N2 | C2 | O2 | 179.7° | 180.0° |
| H2 | C6 | C7 | H6 | 174.4° | 66.4° |
| H3 | C6 | C7 | H6 | 65.3° | 173.6° |
| H4 | C11 | C7 | H6 | 31.5° | 121.4° |
| H4 | C11 | C10 | H11 | 95.3° | 24.2° |
| H4 | C11 | C10 | H12 | 25.6° | 98.4° |
| H5 | C11 | C7 | H6 | 152.9° | 0.0° |
| H5 | C11 | C10 | H11 | 26.2° | 145.6° |
| H5 | C11 | C10 | H12 | 147.0° | 23.0° |
| H6 | C7 | C8 | H7 | 145.1° | 23.0° |
| H6 | C7 | C8 | H8 | 23.6° | 145.5° |
| H7 | C8 | C9 | H9 | 6.7° | 38.4° |
| H7 | C8 | C9 | H10 | 126.9° | 84.9° |
| H8 | C8 | C9 | H9 | 114.8° | 160.9° |
| H8 | C8 | C9 | H10 | 5.5° | 37.7° |
| H9 | C9 | C10 | H11 | 12.0° | 160.9° |
| H9 | C9 | C10 | H12 | 132.9° | 38.3° |
| H10 | C9 | C10 | H11 | 108.2° | 37.6° |
| H10 | C9 | C10 | H12 | 12.7° | 84.9° |
| H13 | C12 | C13 | H14 | 1.4° | 0.0° |
