ZM6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.50Å | |
| C7 | O1 | doub | 1.22Å | 1.23Å | |
| C7 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C8 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C10 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| N2 | C12 | sing | 1.35Å | 1.35Å | |
| C12 | O2 | doub | 1.22Å | 1.23Å | |
| C12 | N3 | sing | 1.35Å | 1.34Å | |
| N3 | C13 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C14 | C15 | sing | 1.53Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C11 | sing | 1.47Å | 1.47Å | |
| C14 | C16 | sing | 1.53Å | 1.49Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | CL1 | sing | 1.74Å | 1.73Å | |
| C6 | CL2 | sing | 1.74Å | 1.73Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 119.8° | 120.1° |
| C2 | C1 | C6 | 119.9° | 120.3° |
| C1 | C2 | H1 | 120.1° | 119.9° |
| C2 | C1 | CL1 | 118.3° | 119.9° |
| C2 | C3 | C4 | 120.8° | 119.9° |
| C3 | C2 | H1 | 120.1° | 119.9° |
| C2 | C3 | H2 | 119.6° | 120.0° |
| C3 | C4 | C5 | 118.9° | 119.8° |
| C3 | C4 | C7 | 119.3° | 120.1° |
| C4 | C3 | H2 | 119.6° | 120.1° |
| C4 | C5 | C6 | 120.4° | 119.8° |
| C5 | C4 | C7 | 121.8° | 120.1° |
| C4 | C5 | H3 | 119.8° | 120.1° |
| C5 | C6 | C1 | 120.2° | 120.1° |
| C6 | C5 | H3 | 119.8° | 120.1° |
| C5 | C6 | CL2 | 118.6° | 119.9° |
| C4 | C7 | O1 | 118.1° | 120.0° |
| C4 | C7 | N1 | 120.1° | 120.0° |
| O1 | C7 | N1 | 121.6° | 120.0° |
| C7 | N1 | C8 | 120.6° | 120.6° |
| C7 | N1 | C11 | 126.0° | 120.6° |
| N1 | C8 | C9 | 111.6° | 108.7° |
| C8 | N1 | C11 | 113.5° | 118.8° |
| N1 | C8 | H5 | 108.9° | 109.5° |
| N1 | C8 | H4 | 108.9° | 109.6° |
| C8 | C9 | N2 | 109.6° | 108.7° |
| C9 | C8 | H5 | 108.9° | 109.6° |
| C9 | C8 | H4 | 109.0° | 109.6° |
| C8 | C9 | H6 | 109.4° | 109.6° |
| C8 | C9 | H7 | 109.4° | 109.6° |
| C9 | N2 | C10 | 113.1° | 118.8° |
| C9 | N2 | C12 | 124.2° | 120.6° |
| N2 | C9 | H6 | 109.4° | 109.6° |
| N2 | C9 | H7 | 109.4° | 109.6° |
| N2 | C10 | C11 | 112.2° | 108.6° |
| C10 | N2 | C12 | 122.6° | 120.6° |
| N2 | C10 | H9 | 108.8° | 109.6° |
| N2 | C10 | H8 | 108.8° | 109.7° |
| C10 | C11 | N1 | 111.5° | 108.6° |
| C11 | C10 | H9 | 108.8° | 109.7° |
| C11 | C10 | H8 | 108.8° | 109.6° |
| C10 | C11 | H11 | 109.0° | 109.6° |
| C10 | C11 | H10 | 109.0° | 109.6° |
| N2 | C12 | O2 | 121.6° | 119.9° |
| N2 | C12 | N3 | 115.4° | 120.0° |
| O2 | C12 | N3 | 122.8° | 120.0° |
| C12 | N3 | C13 | 124.0° | 120.0° |
| C12 | N3 | H12 | 118.0° | 120.1° |
| N3 | C13 | C14 | 110.1° | 109.5° |
| C13 | N3 | H12 | 118.0° | 119.9° |
| N3 | C13 | H13 | 109.3° | 109.5° |
| N3 | C13 | H14 | 109.3° | 109.5° |
| C13 | C14 | C15 | 120.1° | 117.5° |
| C13 | C14 | C16 | 118.8° | 117.5° |
| C14 | C13 | H13 | 109.3° | 109.5° |
| C14 | C13 | H14 | 109.3° | 109.4° |
| C13 | C14 | H15 | 115.4° | 115.5° |
| C14 | C15 | C16 | 59.8° | 60.0° |
| C15 | C14 | C16 | 60.3° | 60.0° |
| C14 | C15 | H17 | 120.0° | 117.6° |
| C14 | C15 | H16 | 120.0° | 117.5° |
| C15 | C14 | H15 | 115.6° | 117.5° |
| C15 | C16 | C14 | 59.9° | 60.0° |
| C16 | C15 | H17 | 120.0° | 117.5° |
| C16 | C15 | H16 | 120.0° | 117.5° |
| C15 | C16 | H18 | 120.0° | 117.5° |
| C15 | C16 | H19 | 120.0° | 117.5° |
| C6 | C1 | CL1 | 121.8° | 119.9° |
| C1 | C6 | CL2 | 121.2° | 120.0° |
| N1 | C11 | H11 | 109.0° | 109.6° |
| N1 | C11 | H10 | 109.0° | 109.6° |
| C16 | C14 | H15 | 115.7° | 117.5° |
| C14 | C16 | H18 | 120.0° | 117.5° |
| C14 | C16 | H19 | 120.0° | 117.5° |
| H5 | C8 | H4 | 109.5° | 109.7° |
| H9 | C10 | H8 | 109.4° | 109.6° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H17 | C15 | H16 | 109.5° | 115.5° |
| H11 | C11 | H10 | 109.5° | 109.8° |
| H18 | C16 | H19 | 109.5° | 115.6° |
| H6 | C9 | H7 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.4° | 0.5° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | CL1 | 179.6° | 179.7° |
| C1 | C2 | C3 | H2 | 179.6° | 180.0° |
| C2 | C1 | C6 | CL2 | 179.9° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 1.0° | 0.5° |
| C2 | C3 | C4 | C7 | 179.6° | 179.7° |
| C3 | C2 | C1 | C6 | 0.0° | 0.3° |
| C3 | C2 | C1 | CL1 | 179.6° | 180.0° |
| C3 | C4 | C5 | C7 | 178.5° | 179.8° |
| C3 | C4 | C5 | C6 | 1.2° | 0.2° |
| C3 | C4 | C7 | O1 | 58.4° | 33.0° |
| C3 | C4 | C7 | N1 | 116.8° | 147.0° |
| C3 | C4 | C5 | H3 | 178.8° | 179.7° |
| C4 | C3 | C2 | H1 | 179.6° | 179.8° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C5 | C4 | C7 | O1 | 120.1° | 146.8° |
| C5 | C4 | C7 | N1 | 64.7° | 33.2° |
| C4 | C5 | C6 | C1 | 0.8° | 0.0° |
| C5 | C4 | C3 | H2 | 179.0° | 180.0° |
| C4 | C5 | C6 | CL2 | 179.5° | 180.0° |
| C6 | C5 | C4 | C7 | 179.7° | 180.0° |
| C5 | C6 | C1 | CL2 | 179.8° | 179.9° |
| C5 | C6 | C1 | CL1 | 179.7° | 179.7° |
| C4 | C7 | O1 | N1 | 175.1° | 180.0° |
| C4 | C7 | N1 | C8 | 144.9° | 174.5° |
| C4 | C7 | N1 | C11 | 36.2° | 5.8° |
| C7 | C4 | C5 | H3 | 0.3° | 0.1° |
| C7 | C4 | C3 | H2 | 0.5° | 0.2° |
| O1 | C7 | N1 | C8 | 30.1° | 5.4° |
| O1 | C7 | N1 | C11 | 148.7° | 174.2° |
| C7 | N1 | C8 | C11 | 179.0° | 179.6° |
| C7 | N1 | C8 | C9 | 178.4° | 124.4° |
| C7 | N1 | C11 | C10 | 129.1° | 124.4° |
| C7 | N1 | C8 | H5 | 61.3° | 115.8° |
| C7 | N1 | C8 | H4 | 58.0° | 4.7° |
| C7 | N1 | C11 | H11 | 8.8° | 4.7° |
| C7 | N1 | C11 | H10 | 110.6° | 115.8° |
| N1 | C8 | C9 | H5 | 120.3° | 119.7° |
| N1 | C8 | C9 | H4 | 120.3° | 119.7° |
| N1 | C8 | C9 | N2 | 56.1° | 49.4° |
| C8 | N1 | C11 | C10 | 49.8° | 55.2° |
| N1 | C8 | H5 | H4 | 119.0° | 120.3° |
| C8 | N1 | C11 | H11 | 170.1° | 174.9° |
| C8 | N1 | C11 | H10 | 70.5° | 64.6° |
| N1 | C8 | C9 | H6 | 176.1° | 169.1° |
| N1 | C8 | C9 | H7 | 64.0° | 70.3° |
| C8 | C9 | N2 | H6 | 120.0° | 119.7° |
| C8 | C9 | N2 | H7 | 120.0° | 119.7° |
| C8 | C9 | N2 | C10 | 55.7° | 55.2° |
| C8 | C9 | N2 | C12 | 120.1° | 124.8° |
| C9 | C8 | N1 | C11 | 2.6° | 55.2° |
| C9 | C8 | H5 | H4 | 119.0° | 120.5° |
| C8 | C9 | H6 | H7 | 119.9° | 120.5° |
| C9 | N2 | C10 | C12 | 175.9° | 180.0° |
| C9 | N2 | C10 | C11 | 3.2° | 55.2° |
| C9 | N2 | C12 | O2 | 137.7° | 5.1° |
| C9 | N2 | C12 | N3 | 47.5° | 174.9° |
| N2 | C9 | C8 | H5 | 64.2° | 70.3° |
| N2 | C9 | C8 | H4 | 176.4° | 169.2° |
| C9 | N2 | C10 | H9 | 123.6° | 64.5° |
| C9 | N2 | C10 | H8 | 117.2° | 175.1° |
| N2 | C9 | H6 | H7 | 119.9° | 120.4° |
| N2 | C10 | C11 | H9 | 120.4° | 119.7° |
| N2 | C10 | C11 | H8 | 120.4° | 119.9° |
| C10 | N2 | C12 | O2 | 46.9° | 174.8° |
| C10 | N2 | C12 | N3 | 127.9° | 5.1° |
| N2 | C10 | C11 | N1 | 50.4° | 49.5° |
| N2 | C10 | H9 | H8 | 118.7° | 120.5° |
| N2 | C10 | C11 | H11 | 170.7° | 169.2° |
| N2 | C10 | C11 | H10 | 69.9° | 70.3° |
| C10 | N2 | C9 | H6 | 175.7° | 175.0° |
| C10 | N2 | C9 | H7 | 64.3° | 64.5° |
| C11 | C10 | N2 | C12 | 172.7° | 124.7° |
| C10 | C11 | N1 | H11 | 120.3° | 119.7° |
| C10 | C11 | N1 | H10 | 120.3° | 119.8° |
| C11 | C10 | H9 | H8 | 118.7° | 120.4° |
| C10 | C11 | H11 | H10 | 119.1° | 120.5° |
| N2 | C12 | O2 | N3 | 174.4° | 179.9° |
| N2 | C12 | N3 | C13 | 161.2° | 175.0° |
| N2 | C12 | N3 | H12 | 18.9° | 4.9° |
| C12 | N2 | C10 | H9 | 52.3° | 115.5° |
| C12 | N2 | C10 | H8 | 66.8° | 4.9° |
| C12 | N2 | C9 | H6 | 0.1° | 5.0° |
| C12 | N2 | C9 | H7 | 119.8° | 115.5° |
| O2 | C12 | N3 | C13 | 13.6° | 5.0° |
| O2 | C12 | N3 | H12 | 166.4° | 175.0° |
| C12 | N3 | C13 | H12 | 180.0° | 179.9° |
| C12 | N3 | C13 | C14 | 176.3° | 179.9° |
| C12 | N3 | C13 | H13 | 56.2° | 60.0° |
| C12 | N3 | C13 | H14 | 63.6° | 60.0° |
| N3 | C13 | C14 | H13 | 120.1° | 120.0° |
| N3 | C13 | C14 | H14 | 120.1° | 120.0° |
| N3 | C13 | C14 | C15 | 152.4° | 175.0° |
| N3 | C13 | C14 | C16 | 82.0° | 116.4° |
| N3 | C13 | H13 | H14 | 119.7° | 120.0° |
| N3 | C13 | C14 | H15 | 61.8° | 29.3° |
| C13 | C14 | C15 | C16 | 108.1° | 107.5° |
| C13 | C14 | C15 | H15 | 145.7° | 145.1° |
| C13 | C14 | C16 | H15 | 143.7° | 144.9° |
| C14 | C13 | N3 | H12 | 3.7° | 0.0° |
| C14 | C13 | H13 | H14 | 119.7° | 119.9° |
| C13 | C14 | C15 | H17 | 1.3° | 0.1° |
| C13 | C14 | C15 | H16 | 142.5° | 145.0° |
| C13 | C14 | C16 | H18 | 0.7° | 0.1° |
| C13 | C14 | C16 | H19 | 140.4° | 145.0° |
| C14 | C15 | C16 | H17 | 109.4° | 107.5° |
| C14 | C15 | C16 | H16 | 109.4° | 107.5° |
| C15 | C14 | C16 | H15 | 106.1° | 107.6° |
| C15 | C14 | C13 | H13 | 32.3° | 64.9° |
| C15 | C14 | C13 | H14 | 87.5° | 55.0° |
| C14 | C15 | H17 | H16 | 144.9° | 145.7° |
| C15 | C14 | C16 | H18 | 109.4° | 107.4° |
| C15 | C14 | C16 | H19 | 109.5° | 107.5° |
| C16 | C15 | H17 | H16 | 144.9° | 145.7° |
| C15 | C16 | H18 | H19 | 144.8° | 145.7° |
| C1 | C6 | C5 | H3 | 179.2° | 180.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.9° |
| C11 | N1 | C8 | H5 | 117.7° | 64.6° |
| C11 | N1 | C8 | H4 | 123.0° | 175.0° |
| N1 | C11 | C10 | H9 | 70.0° | 70.3° |
| N1 | C11 | C10 | H8 | 170.8° | 169.3° |
| N1 | C11 | H11 | H10 | 119.1° | 120.4° |
| C16 | C14 | C13 | H13 | 38.1° | 3.7° |
| C16 | C14 | C13 | H14 | 157.9° | 123.7° |
| C14 | C16 | H18 | H19 | 144.8° | 145.7° |
| H12 | N3 | C13 | H13 | 123.7° | 120.1° |
| H12 | N3 | C13 | H14 | 116.4° | 119.9° |
| H3 | C5 | C6 | CL2 | 0.5° | 0.1° |
| H5 | C8 | C9 | H6 | 55.8° | 49.4° |
| H5 | C8 | C9 | H7 | 175.7° | 170.0° |
| H4 | C8 | C9 | H6 | 63.6° | 71.1° |
| H4 | C8 | C9 | H7 | 56.3° | 49.5° |
| H9 | C10 | C11 | H11 | 50.3° | 49.4° |
| H9 | C10 | C11 | H10 | 169.7° | 170.0° |
| H8 | C10 | C11 | H11 | 68.9° | 71.0° |
| H8 | C10 | C11 | H10 | 50.5° | 49.6° |
| H13 | C13 | C14 | H15 | 178.1° | 149.3° |
| H14 | C13 | C14 | H15 | 58.3° | 90.7° |
| H17 | C15 | C14 | H15 | 144.4° | 145.0° |
| H17 | C15 | C16 | H18 | 0.0° | 0.0° |
| H17 | C15 | C16 | H19 | 141.1° | 145.0° |
| H16 | C15 | C14 | H15 | 3.2° | 0.0° |
| H16 | C15 | C16 | H18 | 141.1° | 145.0° |
| H16 | C15 | C16 | H19 | 0.1° | 0.0° |
| H15 | C14 | C16 | H18 | 144.4° | 145.0° |
| H15 | C14 | C16 | H19 | 3.3° | 0.1° |
| H1 | C2 | C3 | H2 | 0.4° | 0.3° |
| H1 | C2 | C1 | CL1 | 0.4° | 0.3° |
| CL1 | C1 | C6 | CL2 | 0.5° | 0.2° |
