65Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C7 | sing | 1.74Å | 1.72Å | |
| C8 | C7 | doub | 1.39Å | 1.42Å | Aromatic |
| C8 | C9 | sing | 1.36Å | 1.37Å | Aromatic |
| C7 | C10 | sing | 1.36Å | 1.36Å | Aromatic |
| CL1 | C9 | sing | 1.74Å | 1.72Å | |
| C9 | C12 | doub | 1.41Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.42Å | 1.43Å | Aromatic |
| C12 | N13 | sing | 1.34Å | 1.36Å | Aromatic |
| C11 | C16 | sing | 1.42Å | 1.41Å | Aromatic |
| N13 | C14 | doub | 1.32Å | 1.32Å | Aromatic |
| C23 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C22 | sing | 1.48Å | 1.47Å | |
| C16 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C26 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.46Å | Aromatic |
| C14 | N1 | sing | 1.38Å | 1.41Å | |
| C15 | C19 | sing | 1.47Å | 1.46Å | |
| C2 | N1 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| C19 | O21 | doub | 1.22Å | 1.21Å | |
| C19 | O20 | sing | 1.35Å | 1.32Å | |
| C6 | C5 | sing | 1.53Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.48Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| O20 | H13 | sing | 0.97Å | 0.95Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C7 | C8 | 118.2° | 119.6° |
| CL2 | C7 | C10 | 120.4° | 119.6° |
| C7 | C8 | C9 | 118.9° | 121.0° |
| C8 | C7 | C10 | 121.3° | 120.7° |
| C7 | C8 | H11 | 120.5° | 119.5° |
| C8 | C9 | CL1 | 118.5° | 120.1° |
| C8 | C9 | C12 | 121.7° | 119.8° |
| C9 | C8 | H11 | 120.6° | 119.5° |
| C7 | C10 | C11 | 120.2° | 119.7° |
| C7 | C10 | H12 | 119.9° | 120.1° |
| CL1 | C9 | C12 | 119.7° | 120.1° |
| C9 | C12 | C11 | 118.8° | 119.0° |
| C9 | C12 | N13 | 117.8° | 120.6° |
| C10 | C11 | C12 | 119.1° | 119.7° |
| C10 | C11 | C16 | 124.3° | 121.1° |
| C11 | C10 | H12 | 119.9° | 120.2° |
| C11 | C12 | N13 | 123.3° | 120.4° |
| C12 | C11 | C16 | 116.6° | 119.2° |
| C12 | N13 | C14 | 119.8° | 121.9° |
| C11 | C16 | C22 | 119.7° | 121.0° |
| C11 | C16 | C15 | 120.3° | 117.9° |
| N13 | C14 | C15 | 121.3° | 121.5° |
| N13 | C14 | N1 | 119.0° | 119.3° |
| C26 | C23 | C22 | 120.5° | 119.8° |
| C23 | C26 | C24 | 120.7° | 120.2° |
| C26 | C23 | H14 | 119.7° | 120.2° |
| C23 | C26 | H17 | 119.6° | 119.9° |
| C23 | C22 | C16 | 118.7° | 120.1° |
| C23 | C22 | C27 | 118.7° | 119.8° |
| C22 | C23 | H14 | 119.7° | 120.1° |
| C22 | C16 | C15 | 119.9° | 121.1° |
| C16 | C22 | C27 | 122.5° | 120.1° |
| C16 | C15 | C14 | 118.6° | 119.1° |
| C16 | C15 | C19 | 121.4° | 120.4° |
| C26 | C24 | C25 | 119.8° | 120.3° |
| C26 | C24 | H15 | 120.1° | 119.9° |
| C24 | C26 | H17 | 119.7° | 119.9° |
| C22 | C27 | C25 | 120.9° | 119.9° |
| C22 | C27 | H18 | 119.5° | 120.1° |
| C24 | C25 | C27 | 119.2° | 120.1° |
| C25 | C24 | H15 | 120.1° | 119.8° |
| C24 | C25 | H16 | 120.4° | 119.9° |
| C27 | C25 | H16 | 120.4° | 120.0° |
| C25 | C27 | H18 | 119.6° | 120.1° |
| C15 | C14 | N1 | 119.7° | 119.3° |
| C14 | C15 | C19 | 119.2° | 120.4° |
| C14 | N1 | C2 | 114.0° | 111.0° |
| C14 | N1 | C6 | 117.8° | 111.0° |
| C15 | C19 | O21 | 120.3° | 120.0° |
| C15 | C19 | O20 | 119.3° | 120.0° |
| N1 | C2 | C3 | 109.5° | 109.5° |
| C2 | N1 | C6 | 108.1° | 111.2° |
| N1 | C2 | H1 | 109.5° | 109.5° |
| N1 | C2 | H2 | 109.5° | 109.4° |
| C2 | C3 | C4 | 114.5° | 109.2° |
| C3 | C2 | H1 | 109.5° | 109.5° |
| C3 | C2 | H2 | 109.5° | 109.5° |
| C2 | C3 | H3 | 108.2° | 109.5° |
| C2 | C3 | H4 | 108.2° | 109.5° |
| N1 | C6 | C5 | 110.0° | 109.5° |
| N1 | C6 | H9 | 109.3° | 109.4° |
| N1 | C6 | H10 | 109.3° | 109.5° |
| O21 | C19 | O20 | 120.0° | 120.0° |
| C19 | O20 | H13 | 109.5° | 117.0° |
| C6 | C5 | C4 | 112.9° | 109.2° |
| C6 | C5 | H7 | 108.6° | 109.5° |
| C6 | C5 | H8 | 108.6° | 109.5° |
| C5 | C6 | H9 | 109.4° | 109.4° |
| C5 | C6 | H10 | 109.3° | 109.5° |
| C3 | C4 | C5 | 113.4° | 109.2° |
| C4 | C3 | H3 | 108.2° | 109.5° |
| C4 | C3 | H4 | 108.2° | 109.5° |
| C3 | C4 | H5 | 108.5° | 109.6° |
| C3 | C4 | H6 | 108.5° | 109.5° |
| C5 | C4 | H5 | 108.5° | 109.6° |
| C5 | C4 | H6 | 108.5° | 109.5° |
| C4 | C5 | H7 | 108.6° | 109.5° |
| C4 | C5 | H8 | 108.6° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.4° | 109.6° |
| H9 | C6 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C7 | C8 | C10 | 178.7° | 179.7° |
| CL2 | C7 | C8 | C9 | 176.7° | 179.7° |
| CL2 | C7 | C10 | C11 | 178.0° | 179.7° |
| CL2 | C7 | C8 | H11 | 3.4° | 0.2° |
| CL2 | C7 | C10 | H12 | 2.0° | 0.3° |
| C7 | C8 | C9 | H11 | 180.0° | 179.9° |
| C7 | C8 | C9 | CL1 | 177.1° | 180.0° |
| C7 | C8 | C9 | C12 | 3.3° | 0.0° |
| C8 | C7 | C10 | C11 | 0.7° | 0.0° |
| C8 | C7 | C10 | H12 | 179.3° | 180.0° |
| C9 | C8 | C7 | C10 | 2.0° | 0.0° |
| C8 | C9 | CL1 | C12 | 179.7° | 180.0° |
| C8 | C9 | C12 | C11 | 3.1° | 0.0° |
| C8 | C9 | C12 | N13 | 178.3° | 180.0° |
| C7 | C10 | C11 | H12 | 180.0° | 180.0° |
| C7 | C10 | C11 | C12 | 0.5° | 0.0° |
| C7 | C10 | C11 | C16 | 180.0° | 180.0° |
| C10 | C7 | C8 | H11 | 177.9° | 180.0° |
| CL1 | C9 | C12 | C11 | 177.3° | 180.0° |
| CL1 | C9 | C12 | N13 | 2.0° | 0.0° |
| CL1 | C9 | C8 | H11 | 2.9° | 0.1° |
| C9 | C12 | C11 | C10 | 1.6° | 0.0° |
| C9 | C12 | C11 | N13 | 175.0° | 180.0° |
| C9 | C12 | C11 | C16 | 178.8° | 180.0° |
| C9 | C12 | N13 | C14 | 178.5° | 179.9° |
| C12 | C9 | C8 | H11 | 176.7° | 180.0° |
| C10 | C11 | C12 | C16 | 179.6° | 180.0° |
| C10 | C11 | C12 | N13 | 176.6° | 180.0° |
| C10 | C11 | C16 | C22 | 4.7° | 0.1° |
| C10 | C11 | C16 | C15 | 176.9° | 180.0° |
| C11 | C12 | N13 | C14 | 3.5° | 0.1° |
| C12 | C11 | C16 | C22 | 174.9° | 180.0° |
| C12 | C11 | C16 | C15 | 3.5° | 0.0° |
| C12 | C11 | C10 | H12 | 179.5° | 180.0° |
| N13 | C12 | C11 | C16 | 3.8° | 0.0° |
| C12 | N13 | C14 | C15 | 2.7° | 0.2° |
| C12 | N13 | C14 | N1 | 178.2° | 180.0° |
| C11 | C16 | C22 | C23 | 67.4° | 64.7° |
| C11 | C16 | C22 | C15 | 178.3° | 179.9° |
| C11 | C16 | C22 | C27 | 115.9° | 115.0° |
| C11 | C16 | C15 | C14 | 2.9° | 0.0° |
| C11 | C16 | C15 | C19 | 172.4° | 180.0° |
| C16 | C11 | C10 | H12 | 0.0° | 0.0° |
| N13 | C14 | C15 | C16 | 2.5° | 0.1° |
| N13 | C14 | C15 | N1 | 179.0° | 179.9° |
| N13 | C14 | C15 | C19 | 172.2° | 179.9° |
| N13 | C14 | N1 | C2 | 12.1° | 60.4° |
| N13 | C14 | N1 | C6 | 116.3° | 63.8° |
| C26 | C23 | C22 | H14 | 180.0° | 179.9° |
| C26 | C23 | C22 | C16 | 179.7° | 180.0° |
| C23 | C26 | C24 | H17 | 180.0° | 180.0° |
| C26 | C23 | C22 | C27 | 2.9° | 0.3° |
| C23 | C26 | C24 | C25 | 3.5° | 0.3° |
| C23 | C26 | C24 | H15 | 176.5° | 180.0° |
| C23 | C22 | C16 | C27 | 176.7° | 179.7° |
| C23 | C22 | C16 | C15 | 110.9° | 115.3° |
| C22 | C23 | C26 | C24 | 2.9° | 0.0° |
| C23 | C22 | C27 | C25 | 3.7° | 0.3° |
| C22 | C23 | C26 | H17 | 177.1° | 180.0° |
| C23 | C22 | C27 | H18 | 176.3° | 179.8° |
| C16 | C22 | C27 | C25 | 179.6° | 180.0° |
| C22 | C16 | C15 | C14 | 175.4° | 179.9° |
| C22 | C16 | C15 | C19 | 6.0° | 0.0° |
| C16 | C22 | C23 | H14 | 0.3° | 0.1° |
| C16 | C22 | C27 | H18 | 0.3° | 0.0° |
| C15 | C16 | C22 | C27 | 65.8° | 65.0° |
| C16 | C15 | C14 | C19 | 169.7° | 180.0° |
| C16 | C15 | C14 | N1 | 178.5° | 180.0° |
| C16 | C15 | C19 | O21 | 84.7° | 84.5° |
| C16 | C15 | C19 | O20 | 87.5° | 95.5° |
| C26 | C24 | C25 | H15 | 180.0° | 179.8° |
| C26 | C24 | C25 | C27 | 4.2° | 0.3° |
| C24 | C26 | C23 | H14 | 177.2° | 179.9° |
| C26 | C24 | C25 | H16 | 175.8° | 179.7° |
| C22 | C27 | C25 | C24 | 4.4° | 0.0° |
| C22 | C27 | C25 | H18 | 180.0° | 180.0° |
| C27 | C22 | C23 | H14 | 177.1° | 179.8° |
| C22 | C27 | C25 | H16 | 175.6° | 180.0° |
| C24 | C25 | C27 | H16 | 180.0° | 180.0° |
| C25 | C24 | C26 | H17 | 176.5° | 179.8° |
| C24 | C25 | C27 | H18 | 175.7° | 180.0° |
| C27 | C25 | C24 | H15 | 175.8° | 180.0° |
| C15 | C14 | N1 | C2 | 168.9° | 119.7° |
| C15 | C14 | N1 | C6 | 62.7° | 116.1° |
| C14 | C15 | C19 | O21 | 84.7° | 95.5° |
| C14 | C15 | C19 | O20 | 103.1° | 84.5° |
| N1 | C14 | C15 | C19 | 8.8° | 0.1° |
| C14 | N1 | C2 | C6 | 133.2° | 124.1° |
| C14 | N1 | C2 | C3 | 165.6° | 174.1° |
| C14 | N1 | C6 | C5 | 163.9° | 174.1° |
| C14 | N1 | C2 | H1 | 74.4° | 65.8° |
| C14 | N1 | C2 | H2 | 45.6° | 54.1° |
| C14 | N1 | C6 | H9 | 43.8° | 54.2° |
| C14 | N1 | C6 | H10 | 76.1° | 65.8° |
| C15 | C19 | O21 | O20 | 172.1° | 180.0° |
| C15 | C19 | O20 | H13 | 172.2° | 180.0° |
| N1 | C2 | C3 | H1 | 120.0° | 120.1° |
| N1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C2 | N1 | C6 | C5 | 65.0° | 61.8° |
| N1 | C2 | C3 | C4 | 51.2° | 59.2° |
| N1 | C2 | H1 | H2 | 120.0° | 119.9° |
| N1 | C2 | C3 | H3 | 172.0° | 179.1° |
| N1 | C2 | C3 | H4 | 69.5° | 60.8° |
| C2 | N1 | C6 | H9 | 174.9° | 178.3° |
| C2 | N1 | C6 | H10 | 55.1° | 58.3° |
| C3 | C2 | N1 | C6 | 61.3° | 61.7° |
| C2 | C3 | C4 | H3 | 120.7° | 119.9° |
| C2 | C3 | C4 | H4 | 120.7° | 119.9° |
| C2 | C3 | C4 | C5 | 43.0° | 57.7° |
| C3 | C2 | H1 | H2 | 120.0° | 120.0° |
| C2 | C3 | H3 | H4 | 117.7° | 120.1° |
| C2 | C3 | C4 | H5 | 77.6° | 62.3° |
| C2 | C3 | C4 | H6 | 163.6° | 177.6° |
| N1 | C6 | C5 | H9 | 120.1° | 120.0° |
| N1 | C6 | C5 | H10 | 120.1° | 120.1° |
| N1 | C6 | C5 | C4 | 56.9° | 59.2° |
| C6 | N1 | C2 | H1 | 58.8° | 58.3° |
| C6 | N1 | C2 | H2 | 178.7° | 178.2° |
| N1 | C6 | C5 | H7 | 63.6° | 179.1° |
| N1 | C6 | C5 | H8 | 177.4° | 60.7° |
| N1 | C6 | H9 | H10 | 119.8° | 120.0° |
| O21 | C19 | O20 | H13 | 0.0° | 0.0° |
| C6 | C5 | C4 | C3 | 45.4° | 57.7° |
| C6 | C5 | C4 | H7 | 120.5° | 119.9° |
| C6 | C5 | C4 | H8 | 120.5° | 120.0° |
| C6 | C5 | C4 | H5 | 75.2° | 62.3° |
| C6 | C5 | C4 | H6 | 165.9° | 177.6° |
| C6 | C5 | H7 | H8 | 118.4° | 120.2° |
| C5 | C6 | H9 | H10 | 119.8° | 120.0° |
| C3 | C4 | C5 | H5 | 120.6° | 120.0° |
| C3 | C4 | C5 | H6 | 120.6° | 119.8° |
| C4 | C3 | C2 | H1 | 68.8° | 60.9° |
| C4 | C3 | C2 | H2 | 171.2° | 179.2° |
| C4 | C3 | H3 | H4 | 117.7° | 120.1° |
| C3 | C4 | H5 | H6 | 118.2° | 120.1° |
| C3 | C4 | C5 | H7 | 75.2° | 177.6° |
| C3 | C4 | C5 | H8 | 165.9° | 62.2° |
| C5 | C4 | C3 | H3 | 163.7° | 177.7° |
| C5 | C4 | C3 | H4 | 77.7° | 62.2° |
| C5 | C4 | H5 | H6 | 118.2° | 120.2° |
| C4 | C5 | H7 | H8 | 118.5° | 120.1° |
| C4 | C5 | C6 | H9 | 177.0° | 179.2° |
| C4 | C5 | C6 | H10 | 63.2° | 60.8° |
| H1 | C2 | C3 | H3 | 52.0° | 59.1° |
| H1 | C2 | C3 | H4 | 170.5° | 179.2° |
| H2 | C2 | C3 | H3 | 68.0° | 60.8° |
| H2 | C2 | C3 | H4 | 50.5° | 59.3° |
| H3 | C3 | C4 | H5 | 43.2° | 57.7° |
| H3 | C3 | C4 | H6 | 75.7° | 62.5° |
| H4 | C3 | C4 | H5 | 161.7° | 177.8° |
| H4 | C3 | C4 | H6 | 42.8° | 57.6° |
| H5 | C4 | C5 | H7 | 164.2° | 57.6° |
| H5 | C4 | C5 | H8 | 45.3° | 177.8° |
| H6 | C4 | C5 | H7 | 45.4° | 62.6° |
| H6 | C4 | C5 | H8 | 73.6° | 57.6° |
| H7 | C5 | C6 | H9 | 56.5° | 60.9° |
| H7 | C5 | C6 | H10 | 176.3° | 59.0° |
| H8 | C5 | C6 | H9 | 62.5° | 59.3° |
| H8 | C5 | C6 | H10 | 57.4° | 179.2° |
| H14 | C23 | C26 | H17 | 2.8° | 0.0° |
| H15 | C24 | C25 | H16 | 4.3° | 0.0° |
| H15 | C24 | C26 | H17 | 3.5° | 0.0° |
| H16 | C25 | C27 | H18 | 4.4° | 0.0° |
