ZMH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F25 | C24 | sing | 1.40Å | 1.41Å | |
| C24 | C26 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C26 | N27 | sing | 1.45Å | 1.47Å | |
| C23 | N22 | sing | 1.46Å | 1.44Å | |
| N22 | N21 | sing | 1.29Å | 1.37Å | Aromatic |
| N22 | C03 | sing | 1.37Å | 1.37Å | Aromatic |
| N27 | C28 | sing | 1.46Å | 1.47Å | |
| N27 | C02 | sing | 1.36Å | 1.38Å | |
| N21 | C20 | doub | 1.30Å | 1.31Å | Aromatic |
| C03 | C02 | sing | 1.48Å | 1.49Å | |
| C03 | C04 | doub | 1.36Å | 1.38Å | Aromatic |
| C02 | O01 | doub | 1.22Å | 1.22Å | |
| C20 | C04 | sing | 1.41Å | 1.42Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.50Å | |
| C04 | C05 | sing | 1.51Å | 1.50Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C05 | N06 | sing | 1.48Å | 1.47Å | |
| C18 | N06 | sing | 1.47Å | 1.45Å | |
| N06 | C07 | sing | 1.35Å | 1.37Å | |
| C07 | N08 | sing | 1.35Å | 1.38Å | |
| C07 | O17 | doub | 1.22Å | 1.23Å | |
| N08 | C09 | sing | 1.40Å | 1.41Å | |
| C09 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| F13 | C12 | sing | 1.35Å | 1.35Å | |
| C12 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | BR15 | sing | 1.89Å | 1.92Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| N08 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F25 | C24 | C26 | 107.3° | 109.4° |
| F25 | C24 | C23 | 111.0° | 109.4° |
| F25 | C24 | H2 | 111.2° | 109.4° |
| C26 | C24 | C23 | 107.8° | 109.7° |
| C24 | C26 | N27 | 116.7° | 113.5° |
| C26 | C24 | H2 | 109.8° | 109.4° |
| C24 | C26 | H3 | 107.6° | 108.6° |
| C24 | C26 | H4 | 107.7° | 108.6° |
| C24 | C23 | N22 | 107.1° | 110.1° |
| C23 | C24 | H2 | 109.7° | 109.4° |
| C24 | C23 | H16 | 110.1° | 109.4° |
| C24 | C23 | H17 | 110.1° | 109.4° |
| C26 | N27 | C28 | 114.4° | 120.4° |
| C26 | N27 | C02 | 131.4° | 119.2° |
| N27 | C26 | H3 | 107.6° | 108.7° |
| N27 | C26 | H4 | 107.6° | 108.7° |
| C23 | N22 | N21 | 120.3° | 127.7° |
| C23 | N22 | C03 | 127.6° | 123.3° |
| N22 | C23 | H16 | 110.1° | 109.4° |
| N22 | C23 | H17 | 110.1° | 109.4° |
| N21 | N22 | C03 | 112.1° | 108.9° |
| N22 | N21 | C20 | 105.5° | 110.9° |
| N22 | C03 | C02 | 126.7° | 121.9° |
| N22 | C03 | C04 | 105.4° | 107.1° |
| C28 | N27 | C02 | 114.2° | 120.3° |
| N27 | C28 | H5 | 109.5° | 109.5° |
| N27 | C28 | H6 | 109.5° | 109.5° |
| N27 | C28 | H7 | 109.4° | 109.5° |
| N27 | C02 | C03 | 124.4° | 115.4° |
| N27 | C02 | O01 | 116.4° | 122.3° |
| N21 | C20 | C04 | 111.1° | 107.7° |
| N21 | C20 | C19 | 124.9° | 128.6° |
| C02 | C03 | C04 | 127.9° | 131.0° |
| C03 | C02 | O01 | 119.2° | 122.2° |
| C03 | C04 | C20 | 105.9° | 105.4° |
| C03 | C04 | C05 | 132.9° | 130.9° |
| C04 | C20 | C19 | 124.0° | 123.6° |
| C20 | C04 | C05 | 121.2° | 123.7° |
| C20 | C19 | C18 | 108.0° | 108.8° |
| C20 | C19 | H14 | 109.8° | 109.6° |
| C20 | C19 | H15 | 109.8° | 109.6° |
| C04 | C05 | N06 | 105.0° | 107.0° |
| C04 | C05 | H8 | 110.6° | 109.9° |
| C04 | C05 | H9 | 110.6° | 109.9° |
| C19 | C18 | N06 | 104.9° | 109.6° |
| C19 | C18 | H12 | 110.6° | 109.5° |
| C19 | C18 | H13 | 110.6° | 109.4° |
| C18 | C19 | H14 | 109.9° | 109.6° |
| C18 | C19 | H15 | 109.9° | 109.6° |
| C11 | C10 | C09 | 121.6° | 120.0° |
| C10 | C11 | C12 | 119.2° | 120.1° |
| C11 | C10 | H1 | 119.2° | 120.0° |
| C10 | C11 | H10 | 120.4° | 120.0° |
| C10 | C09 | N08 | 114.9° | 120.1° |
| C10 | C09 | C16 | 118.4° | 119.9° |
| C09 | C10 | H1 | 119.2° | 119.9° |
| C11 | C12 | F13 | 117.0° | 120.0° |
| C11 | C12 | C14 | 120.8° | 120.1° |
| C12 | C11 | H10 | 120.4° | 120.0° |
| C05 | N06 | C18 | 113.8° | 118.6° |
| C05 | N06 | C07 | 120.3° | 120.7° |
| N06 | C05 | H8 | 110.6° | 109.9° |
| N06 | C05 | H9 | 110.6° | 109.9° |
| C18 | N06 | C07 | 125.8° | 120.7° |
| N06 | C18 | H12 | 110.6° | 109.5° |
| N06 | C18 | H13 | 110.6° | 109.5° |
| N06 | C07 | N08 | 115.4° | 120.0° |
| N06 | C07 | O17 | 120.7° | 120.0° |
| N08 | C07 | O17 | 123.9° | 120.0° |
| C07 | N08 | C09 | 128.2° | 120.0° |
| C07 | N08 | H18 | 115.9° | 120.0° |
| N08 | C09 | C16 | 126.7° | 120.0° |
| C09 | N08 | H18 | 115.9° | 120.0° |
| C09 | C16 | C14 | 119.8° | 120.0° |
| C09 | C16 | H11 | 120.1° | 120.0° |
| F13 | C12 | C14 | 122.3° | 119.9° |
| C12 | C14 | C16 | 120.2° | 120.0° |
| C12 | C14 | BR15 | 120.3° | 120.0° |
| C16 | C14 | BR15 | 119.5° | 120.0° |
| C14 | C16 | H11 | 120.1° | 120.0° |
| H3 | C26 | H4 | 109.4° | 108.6° |
| H5 | C28 | H6 | 109.5° | 109.5° |
| H5 | C28 | H7 | 109.5° | 109.5° |
| H6 | C28 | H7 | 109.5° | 109.4° |
| H8 | C05 | H9 | 109.4° | 110.1° |
| H12 | C18 | H13 | 109.5° | 109.4° |
| H14 | C19 | H15 | 109.5° | 109.7° |
| H16 | C23 | H17 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F25 | C24 | C26 | C23 | 119.6° | 120.1° |
| F25 | C24 | C26 | H2 | 120.9° | 119.8° |
| F25 | C24 | C23 | H2 | 123.3° | 119.9° |
| F25 | C24 | C26 | N27 | 172.0° | 75.7° |
| F25 | C24 | C23 | N22 | 151.4° | 162.5° |
| F25 | C24 | C26 | H3 | 66.9° | 45.3° |
| F25 | C24 | C26 | H4 | 50.9° | 163.3° |
| F25 | C24 | C23 | H16 | 31.8° | 77.3° |
| F25 | C24 | C23 | H17 | 89.0° | 42.3° |
| C26 | C24 | C23 | H2 | 119.5° | 120.1° |
| C24 | C26 | N27 | H3 | 121.1° | 121.0° |
| C24 | C26 | N27 | H4 | 121.1° | 121.0° |
| C26 | C24 | C23 | N22 | 91.4° | 42.5° |
| C24 | C26 | N27 | C28 | 162.5° | 95.0° |
| C24 | C26 | N27 | C02 | 17.7° | 85.0° |
| C24 | C26 | H3 | H4 | 116.7° | 118.0° |
| C26 | C24 | C23 | H16 | 149.0° | 162.7° |
| C26 | C24 | C23 | H17 | 28.3° | 77.7° |
| C23 | C24 | C26 | N27 | 68.4° | 44.4° |
| C24 | C23 | N22 | H16 | 119.6° | 120.2° |
| C24 | C23 | N22 | H17 | 119.6° | 120.2° |
| C24 | C23 | N22 | N21 | 124.9° | 108.7° |
| C24 | C23 | N22 | C03 | 53.9° | 71.2° |
| C23 | C24 | C26 | H3 | 52.7° | 165.4° |
| C23 | C24 | C26 | H4 | 170.6° | 76.6° |
| C24 | C23 | H16 | H17 | 121.1° | 119.7° |
| C26 | N27 | C28 | C02 | 179.8° | 179.9° |
| C26 | N27 | C02 | C03 | 0.4° | 13.7° |
| C26 | N27 | C02 | O01 | 179.7° | 166.0° |
| N27 | C26 | C24 | H2 | 51.1° | 164.5° |
| N27 | C26 | H3 | H4 | 116.7° | 118.1° |
| C26 | N27 | C28 | H5 | 180.0° | 90.0° |
| C26 | N27 | C28 | H6 | 60.0° | 150.0° |
| C26 | N27 | C28 | H7 | 60.0° | 30.1° |
| C23 | N22 | N21 | C03 | 179.0° | 179.9° |
| C23 | N22 | N21 | C20 | 179.5° | 179.2° |
| C23 | N22 | C03 | C02 | 0.9° | 0.7° |
| C23 | N22 | C03 | C04 | 179.6° | 179.2° |
| N22 | C23 | C24 | H2 | 28.1° | 77.6° |
| N22 | C23 | H16 | H17 | 121.1° | 119.7° |
| N21 | N22 | C03 | C02 | 179.8° | 179.4° |
| N21 | N22 | C03 | C04 | 0.7° | 0.8° |
| N22 | N21 | C20 | C04 | 0.1° | 0.4° |
| N22 | N21 | C20 | C19 | 178.8° | 179.3° |
| N21 | N22 | C23 | H16 | 5.3° | 11.5° |
| N21 | N22 | C23 | H17 | 115.5° | 131.0° |
| N22 | C03 | C02 | N27 | 16.5° | 43.8° |
| C03 | N22 | N21 | C20 | 0.5° | 0.7° |
| N22 | C03 | C02 | C04 | 179.4° | 179.8° |
| N22 | C03 | C02 | O01 | 163.6° | 136.5° |
| N22 | C03 | C04 | C20 | 0.6° | 0.5° |
| N22 | C03 | C04 | C05 | 179.7° | 179.6° |
| C03 | N22 | C23 | H16 | 173.5° | 168.6° |
| C03 | N22 | C23 | H17 | 65.7° | 49.0° |
| C28 | N27 | C02 | C03 | 179.8° | 166.2° |
| C28 | N27 | C02 | O01 | 0.1° | 14.0° |
| C28 | N27 | C26 | H3 | 76.4° | 26.0° |
| C28 | N27 | C26 | H4 | 41.4° | 144.0° |
| N27 | C28 | H5 | H6 | 120.0° | 120.0° |
| N27 | C28 | H5 | H7 | 120.0° | 120.0° |
| N27 | C28 | H6 | H7 | 120.0° | 119.9° |
| N27 | C02 | C03 | O01 | 179.9° | 179.7° |
| N27 | C02 | C03 | C04 | 164.1° | 136.0° |
| C02 | N27 | C26 | H3 | 103.3° | 154.0° |
| C02 | N27 | C26 | H4 | 138.8° | 36.0° |
| C02 | N27 | C28 | H5 | 0.2° | 90.1° |
| C02 | N27 | C28 | H6 | 119.8° | 29.9° |
| C02 | N27 | C28 | H7 | 120.2° | 149.9° |
| N21 | C20 | C04 | C03 | 0.3° | 0.1° |
| N21 | C20 | C04 | C19 | 178.9° | 179.7° |
| N21 | C20 | C04 | C05 | 179.9° | 180.0° |
| N21 | C20 | C19 | C18 | 163.8° | 162.6° |
| N21 | C20 | C19 | H14 | 76.5° | 77.6° |
| N21 | C20 | C19 | H15 | 44.0° | 42.8° |
| C02 | C03 | C04 | C20 | 179.9° | 179.7° |
| C02 | C03 | C04 | C05 | 0.2° | 0.2° |
| C04 | C03 | C02 | O01 | 15.8° | 43.7° |
| C03 | C04 | C20 | C05 | 179.8° | 179.9° |
| C03 | C04 | C20 | C19 | 179.2° | 179.8° |
| C03 | C04 | C05 | N06 | 161.8° | 168.8° |
| C03 | C04 | C05 | H8 | 78.9° | 71.9° |
| C03 | C04 | C05 | H9 | 42.5° | 49.5° |
| C04 | C20 | C19 | C18 | 15.0° | 17.8° |
| C20 | C04 | C05 | N06 | 17.9° | 11.3° |
| C20 | C04 | C05 | H8 | 101.4° | 108.0° |
| C20 | C04 | C05 | H9 | 137.3° | 130.7° |
| C04 | C20 | C19 | H14 | 104.8° | 102.0° |
| C04 | C20 | C19 | H15 | 134.8° | 137.6° |
| C19 | C20 | C04 | C05 | 1.0° | 0.3° |
| C20 | C19 | C18 | H14 | 119.8° | 119.8° |
| C20 | C19 | C18 | H15 | 119.8° | 119.8° |
| C20 | C19 | C18 | N06 | 49.0° | 45.8° |
| C20 | C19 | C18 | H12 | 168.2° | 165.9° |
| C20 | C19 | C18 | H13 | 70.3° | 74.2° |
| C20 | C19 | H14 | H15 | 120.7° | 120.4° |
| C04 | C05 | N06 | H8 | 119.3° | 119.3° |
| C04 | C05 | N06 | H9 | 119.3° | 119.3° |
| C04 | C05 | N06 | C18 | 59.3° | 44.9° |
| C04 | C05 | N06 | C07 | 117.2° | 135.0° |
| C04 | C05 | H8 | H9 | 122.1° | 121.3° |
| C19 | C18 | N06 | C05 | 78.5° | 65.7° |
| C19 | C18 | N06 | H12 | 119.3° | 120.1° |
| C19 | C18 | N06 | H13 | 119.3° | 120.0° |
| C19 | C18 | N06 | C07 | 97.8° | 114.2° |
| C19 | C18 | H12 | H13 | 122.1° | 119.9° |
| C18 | C19 | H14 | H15 | 120.7° | 120.3° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C11 | C10 | C09 | N08 | 179.8° | 180.0° |
| C11 | C10 | C09 | C16 | 1.7° | 0.0° |
| C10 | C11 | C12 | F13 | 179.5° | 180.0° |
| C10 | C11 | C12 | C14 | 0.2° | 0.0° |
| C09 | C10 | C11 | C12 | 1.3° | 0.1° |
| C10 | C09 | N08 | C07 | 54.9° | 153.3° |
| C10 | C09 | N08 | C16 | 177.9° | 180.0° |
| C10 | C09 | C16 | C14 | 0.9° | 0.0° |
| C09 | C10 | C11 | H10 | 178.7° | 180.0° |
| C10 | C09 | C16 | H11 | 179.1° | 179.9° |
| C10 | C09 | N08 | H18 | 125.1° | 26.6° |
| C11 | C12 | F13 | C14 | 179.7° | 180.0° |
| C11 | C12 | C14 | C16 | 0.5° | 0.0° |
| C11 | C12 | C14 | BR15 | 179.9° | 179.9° |
| C12 | C11 | C10 | H1 | 178.7° | 179.7° |
| C05 | N06 | C18 | C07 | 176.3° | 180.0° |
| C05 | N06 | C07 | N08 | 2.6° | 4.1° |
| C05 | N06 | C07 | O17 | 178.5° | 175.9° |
| N06 | C05 | H8 | H9 | 122.1° | 121.2° |
| C05 | N06 | C18 | H12 | 162.2° | 174.2° |
| C05 | N06 | C18 | H13 | 40.7° | 54.2° |
| C18 | N06 | C07 | N08 | 178.7° | 175.9° |
| C18 | N06 | C07 | O17 | 2.4° | 4.1° |
| C18 | N06 | C05 | H8 | 60.0° | 74.4° |
| C18 | N06 | C05 | H9 | 178.6° | 164.3° |
| N06 | C18 | H12 | H13 | 122.1° | 120.0° |
| N06 | C18 | C19 | H14 | 70.8° | 74.0° |
| N06 | C18 | C19 | H15 | 168.7° | 165.7° |
| N06 | C07 | N08 | O17 | 178.8° | 180.0° |
| N06 | C07 | N08 | C09 | 179.3° | 170.3° |
| C07 | N06 | C05 | H8 | 123.5° | 105.6° |
| C07 | N06 | C05 | H9 | 2.1° | 15.7° |
| C07 | N06 | C18 | H12 | 21.5° | 5.8° |
| C07 | N06 | C18 | H13 | 142.9° | 125.8° |
| N06 | C07 | N08 | H18 | 0.7° | 9.7° |
| C07 | N08 | C09 | H18 | 180.0° | 180.0° |
| C07 | N08 | C09 | C16 | 127.2° | 26.6° |
| O17 | C07 | N08 | C09 | 1.9° | 9.7° |
| O17 | C07 | N08 | H18 | 178.1° | 170.3° |
| N08 | C09 | C16 | C14 | 178.8° | 180.0° |
| N08 | C09 | C10 | H1 | 0.2° | 0.3° |
| N08 | C09 | C16 | H11 | 1.2° | 0.0° |
| C09 | C16 | C14 | C12 | 0.1° | 0.0° |
| C09 | C16 | C14 | H11 | 180.0° | 179.9° |
| C09 | C16 | C14 | BR15 | 179.7° | 180.0° |
| C16 | C09 | C10 | H1 | 178.3° | 179.7° |
| C16 | C09 | N08 | H18 | 52.8° | 153.4° |
| F13 | C12 | C14 | C16 | 179.8° | 180.0° |
| F13 | C12 | C14 | BR15 | 0.2° | 0.1° |
| F13 | C12 | C11 | H10 | 0.5° | 0.0° |
| C12 | C14 | C16 | BR15 | 179.6° | 179.9° |
| C14 | C12 | C11 | H10 | 179.8° | 180.0° |
| C12 | C14 | C16 | H11 | 179.9° | 180.0° |
| BR15 | C14 | C16 | H11 | 0.3° | 0.1° |
| H1 | C10 | C11 | H10 | 1.3° | 0.3° |
| H2 | C24 | C26 | H3 | 172.1° | 74.5° |
| H2 | C24 | C26 | H4 | 70.0° | 43.4° |
| H2 | C24 | C23 | H16 | 91.5° | 42.6° |
| H2 | C24 | C23 | H17 | 147.8° | 162.2° |
| H5 | C28 | H6 | H7 | 120.0° | 120.0° |
| H12 | C18 | C19 | H14 | 48.5° | 46.1° |
| H12 | C18 | C19 | H15 | 72.0° | 74.3° |
| H13 | C18 | C19 | H14 | 169.9° | 166.0° |
| H13 | C18 | C19 | H15 | 49.4° | 45.7° |
