ZH2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N21 | C20 | sing | 1.39Å | 1.43Å | |
| C20 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.43Å | 1.50Å | |
| C16 | C15 | trip | 1.17Å | 1.22Å | |
| C15 | C14 | sing | 1.38Å | 1.51Å | |
| C14 | C13 | trip | 1.17Å | 1.23Å | |
| C13 | C12 | sing | 1.43Å | 1.50Å | |
| C12 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.37Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.37Å | 1.40Å | Aromatic |
| C10 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C09 | sing | 1.40Å | 1.40Å | Aromatic |
| C09 | C07 | sing | 1.48Å | 1.49Å | |
| C07 | N06 | sing | 1.35Å | 1.43Å | |
| C07 | O08 | doub | 1.22Å | 1.22Å | |
| N06 | C05 | sing | 1.46Å | 1.45Å | |
| O01 | C02 | doub | 1.21Å | 1.22Å | |
| C02 | C05 | sing | 1.51Å | 1.50Å | |
| C02 | N03 | sing | 1.35Å | 1.42Å | |
| C05 | C26 | sing | 1.53Å | 1.50Å | |
| O04 | N03 | sing | 1.42Å | 1.30Å | |
| C28 | C26 | sing | 1.53Å | 1.49Å | |
| C26 | O27 | sing | 1.43Å | 1.37Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| 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 | |
| N03 | H8 | sing | 0.97Å | 1.00Å | |
| O04 | H9 | sing | 0.97Å | 0.95Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| N06 | H11 | sing | 0.97Å | 1.00Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| N21 | H15 | sing | 0.97Å | 1.00Å | |
| N21 | H16 | sing | 0.97Å | 1.00Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| O27 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N21 | C20 | C22 | 119.8° | 119.9° |
| N21 | C20 | C19 | 119.8° | 119.9° |
| C20 | N21 | H15 | 109.5° | 120.0° |
| C20 | N21 | H16 | 109.5° | 120.0° |
| C22 | C20 | C19 | 120.3° | 120.1° |
| C20 | C22 | C23 | 119.8° | 120.1° |
| C20 | C22 | H2 | 120.1° | 119.9° |
| C20 | C19 | C18 | 120.0° | 120.1° |
| C20 | C19 | H14 | 120.0° | 119.9° |
| C22 | C23 | C17 | 119.6° | 119.9° |
| C23 | C22 | H2 | 120.1° | 120.0° |
| C22 | C23 | H17 | 120.2° | 120.0° |
| C19 | C18 | C17 | 119.5° | 119.9° |
| C19 | C18 | H13 | 120.3° | 120.1° |
| C18 | C19 | H14 | 120.0° | 119.9° |
| C23 | C17 | C18 | 120.8° | 119.8° |
| C23 | C17 | C16 | 120.0° | 120.1° |
| C17 | C23 | H17 | 120.2° | 120.0° |
| C18 | C17 | C16 | 119.1° | 120.1° |
| C17 | C18 | H13 | 120.3° | 120.0° |
| C17 | C16 | C15 | 179.6° | 180.0° |
| C16 | C15 | C14 | 178.6° | 180.0° |
| C15 | C14 | C13 | 178.2° | 180.0° |
| C14 | C13 | C12 | 178.9° | 180.0° |
| C13 | C12 | C11 | 120.4° | 120.1° |
| C13 | C12 | C24 | 118.7° | 120.0° |
| C11 | C12 | C24 | 120.8° | 119.9° |
| C12 | C11 | C10 | 119.2° | 120.0° |
| C12 | C11 | H12 | 120.4° | 120.0° |
| C12 | C24 | C25 | 120.0° | 120.0° |
| C12 | C24 | H3 | 120.0° | 120.0° |
| C11 | C10 | C09 | 120.1° | 120.0° |
| C11 | C10 | H1 | 120.0° | 120.0° |
| C10 | C11 | H12 | 120.4° | 120.0° |
| C24 | C25 | C09 | 119.1° | 120.0° |
| C25 | C24 | H3 | 120.0° | 120.0° |
| C24 | C25 | H18 | 120.5° | 120.0° |
| C10 | C09 | C25 | 120.8° | 120.1° |
| C10 | C09 | C07 | 118.6° | 120.0° |
| C09 | C10 | H1 | 119.9° | 120.0° |
| C25 | C09 | C07 | 120.5° | 119.9° |
| C09 | C25 | H18 | 120.4° | 120.0° |
| C09 | C07 | N06 | 117.0° | 120.0° |
| C09 | C07 | O08 | 120.6° | 119.9° |
| N06 | C07 | O08 | 120.5° | 120.0° |
| C07 | N06 | C05 | 120.0° | 120.0° |
| C07 | N06 | H11 | 120.0° | 120.0° |
| N06 | C05 | C02 | 107.2° | 109.5° |
| N06 | C05 | C26 | 110.9° | 109.5° |
| N06 | C05 | H10 | 109.3° | 109.5° |
| C05 | N06 | H11 | 120.0° | 120.0° |
| O01 | C02 | C05 | 121.0° | 120.0° |
| O01 | C02 | N03 | 118.3° | 120.0° |
| C05 | C02 | N03 | 120.5° | 120.0° |
| C02 | C05 | C26 | 112.2° | 109.5° |
| C02 | C05 | H10 | 108.6° | 109.5° |
| C02 | N03 | O04 | 117.5° | 120.0° |
| C02 | N03 | H8 | 121.2° | 119.9° |
| C05 | C26 | C28 | 110.1° | 109.5° |
| C05 | C26 | O27 | 110.4° | 109.5° |
| C05 | C26 | H4 | 108.6° | 109.5° |
| C26 | C05 | H10 | 108.5° | 109.5° |
| O04 | N03 | H8 | 121.2° | 120.1° |
| N03 | O04 | H9 | 109.5° | 114.0° |
| C28 | C26 | O27 | 108.6° | 109.5° |
| C28 | C26 | H4 | 108.7° | 109.5° |
| C26 | C28 | H5 | 109.5° | 109.5° |
| C26 | C28 | H6 | 109.5° | 109.5° |
| C26 | C28 | H7 | 109.5° | 109.5° |
| O27 | C26 | H4 | 110.4° | 109.4° |
| C26 | O27 | H19 | 109.5° | 114.0° |
| H5 | C28 | H6 | 109.4° | 109.5° |
| H5 | C28 | H7 | 109.5° | 109.5° |
| H6 | C28 | H7 | 109.5° | 109.4° |
| H15 | N21 | H16 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N21 | C20 | C22 | C19 | 179.5° | 179.7° |
| N21 | C20 | C22 | C23 | 179.5° | 180.0° |
| N21 | C20 | C19 | C18 | 179.5° | 180.0° |
| N21 | C20 | C22 | H2 | 0.5° | 0.2° |
| N21 | C20 | C19 | H14 | 0.5° | 0.0° |
| C20 | N21 | H15 | H16 | 120.0° | 180.0° |
| C20 | C22 | C23 | H2 | 180.0° | 179.8° |
| C22 | C20 | C19 | C18 | 0.0° | 0.3° |
| C20 | C22 | C23 | C17 | 0.6° | 0.1° |
| C22 | C20 | C19 | H14 | 180.0° | 179.8° |
| C22 | C20 | N21 | H15 | 180.0° | 0.0° |
| C22 | C20 | N21 | H16 | 60.0° | 180.0° |
| C20 | C22 | C23 | H17 | 179.4° | 179.9° |
| C19 | C20 | C22 | C23 | 0.0° | 0.2° |
| C20 | C19 | C18 | H14 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.6° | 0.0° |
| C19 | C20 | C22 | H2 | 180.0° | 180.0° |
| C20 | C19 | C18 | H13 | 179.4° | 180.0° |
| C19 | C20 | N21 | H15 | 0.5° | 179.7° |
| C19 | C20 | N21 | H16 | 119.5° | 0.3° |
| C22 | C23 | C17 | H17 | 180.0° | 179.8° |
| C22 | C23 | C17 | C18 | 1.3° | 0.3° |
| C22 | C23 | C17 | C16 | 178.9° | 180.0° |
| C19 | C18 | C17 | C23 | 1.3° | 0.3° |
| C19 | C18 | C17 | H13 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 178.9° | 179.9° |
| C23 | C17 | C18 | C16 | 177.6° | 179.6° |
| C23 | C17 | C16 | C15 | 7.0° | 113.9° |
| C17 | C23 | C22 | H2 | 179.4° | 179.7° |
| C23 | C17 | C18 | H13 | 178.7° | 179.7° |
| C18 | C17 | C16 | C15 | 175.4° | 66.4° |
| C17 | C18 | C19 | H14 | 179.4° | 180.0° |
| C18 | C17 | C23 | H17 | 178.7° | 179.8° |
| C17 | C16 | C15 | C14 | 131.3° | 129.0° |
| C16 | C17 | C18 | H13 | 1.1° | 0.1° |
| C16 | C17 | C23 | H17 | 1.1° | 0.2° |
| C16 | C15 | C14 | C13 | 24.5° | 180.0° |
| C15 | C14 | C13 | C12 | 32.9° | 70.9° |
| C14 | C13 | C12 | C11 | 140.9° | 8.3° |
| C14 | C13 | C12 | C24 | 35.7° | 171.6° |
| C13 | C12 | C11 | C24 | 176.6° | 180.0° |
| C13 | C12 | C11 | C10 | 178.3° | 180.0° |
| C13 | C12 | C24 | C25 | 178.7° | 179.7° |
| C13 | C12 | C24 | H3 | 1.3° | 0.2° |
| C13 | C12 | C11 | H12 | 1.7° | 0.1° |
| C12 | C11 | C10 | H12 | 180.0° | 180.0° |
| C11 | C12 | C24 | C25 | 2.1° | 0.3° |
| C12 | C11 | C10 | C09 | 0.4° | 0.0° |
| C12 | C11 | C10 | H1 | 179.6° | 179.7° |
| C11 | C12 | C24 | H3 | 177.9° | 179.8° |
| C24 | C12 | C11 | C10 | 1.7° | 0.0° |
| C12 | C24 | C25 | H3 | 180.0° | 179.5° |
| C12 | C24 | C25 | C09 | 1.1° | 0.6° |
| C24 | C12 | C11 | H12 | 178.3° | 179.9° |
| C12 | C24 | C25 | H18 | 178.9° | 180.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | C25 | 0.5° | 0.3° |
| C11 | C10 | C09 | C07 | 176.8° | 179.7° |
| C24 | C25 | C09 | C10 | 0.2° | 0.5° |
| C24 | C25 | C09 | H18 | 180.0° | 179.4° |
| C24 | C25 | C09 | C07 | 176.4° | 179.4° |
| C10 | C09 | C25 | C07 | 176.2° | 180.0° |
| C10 | C09 | C07 | N06 | 18.5° | 180.0° |
| C10 | C09 | C07 | O08 | 177.2° | 0.1° |
| C09 | C10 | C11 | H12 | 179.6° | 180.0° |
| C10 | C09 | C25 | H18 | 179.8° | 179.9° |
| C25 | C09 | C07 | N06 | 157.9° | 0.1° |
| C25 | C09 | C07 | O08 | 6.5° | 180.0° |
| C25 | C09 | C10 | H1 | 179.5° | 180.0° |
| C09 | C25 | C24 | H3 | 178.9° | 180.0° |
| C09 | C07 | N06 | O08 | 164.3° | 179.9° |
| C09 | C07 | N06 | C05 | 176.7° | 180.0° |
| C07 | C09 | C10 | H1 | 3.2° | 0.0° |
| C09 | C07 | N06 | H11 | 3.3° | 0.1° |
| C07 | C09 | C25 | H18 | 3.6° | 0.0° |
| C07 | N06 | C05 | H11 | 180.0° | 180.0° |
| C07 | N06 | C05 | C02 | 126.6° | 155.1° |
| C07 | N06 | C05 | C26 | 110.5° | 85.0° |
| C07 | N06 | C05 | H10 | 9.1° | 35.0° |
| O08 | C07 | N06 | C05 | 12.3° | 0.1° |
| O08 | C07 | N06 | H11 | 167.6° | 180.0° |
| N06 | C05 | C02 | O01 | 48.2° | 0.1° |
| N06 | C05 | C02 | C26 | 122.0° | 120.0° |
| N06 | C05 | C02 | H10 | 118.0° | 120.0° |
| N06 | C05 | C02 | N03 | 128.7° | 179.9° |
| N06 | C05 | C26 | H10 | 120.1° | 120.0° |
| N06 | C05 | C26 | C28 | 49.8° | 55.0° |
| N06 | C05 | C26 | O27 | 169.7° | 65.0° |
| N06 | C05 | C26 | H4 | 69.1° | 175.0° |
| O01 | C02 | C05 | N03 | 176.9° | 179.9° |
| O01 | C02 | C05 | C26 | 73.8° | 120.1° |
| O01 | C02 | N03 | O04 | 2.6° | 0.1° |
| O01 | C02 | N03 | H8 | 177.3° | 180.0° |
| O01 | C02 | C05 | H10 | 166.2° | 120.0° |
| C02 | C05 | C26 | H10 | 120.0° | 120.0° |
| C05 | C02 | N03 | O04 | 179.6° | 180.0° |
| C02 | C05 | C26 | C28 | 70.1° | 175.0° |
| C02 | C05 | C26 | O27 | 49.8° | 55.0° |
| C02 | C05 | C26 | H4 | 171.0° | 65.0° |
| C05 | C02 | N03 | H8 | 0.4° | 0.1° |
| C02 | C05 | N06 | H11 | 53.4° | 25.0° |
| N03 | C02 | C05 | C26 | 109.3° | 60.1° |
| C02 | N03 | O04 | H8 | 180.0° | 179.9° |
| C02 | N03 | O04 | H9 | 1.2° | 180.0° |
| N03 | C02 | C05 | H10 | 10.6° | 59.9° |
| C05 | C26 | C28 | O27 | 121.0° | 120.0° |
| C05 | C26 | C28 | H4 | 118.8° | 120.0° |
| C05 | C26 | O27 | H4 | 120.1° | 120.0° |
| C05 | C26 | C28 | H5 | 180.0° | 180.0° |
| C05 | C26 | C28 | H6 | 60.0° | 60.0° |
| C05 | C26 | C28 | H7 | 60.0° | 60.0° |
| C26 | C05 | N06 | H11 | 69.4° | 95.0° |
| C05 | C26 | O27 | H19 | 180.0° | 60.1° |
| C28 | C26 | O27 | H4 | 119.1° | 120.0° |
| C26 | C28 | H5 | H6 | 120.0° | 120.0° |
| C26 | C28 | H5 | H7 | 120.0° | 120.0° |
| C26 | C28 | H6 | H7 | 120.0° | 120.0° |
| C28 | C26 | C05 | H10 | 169.9° | 65.0° |
| C28 | C26 | O27 | H19 | 59.2° | 59.9° |
| O27 | C26 | C28 | H5 | 59.1° | 60.0° |
| O27 | C26 | C28 | H6 | 179.0° | 180.0° |
| O27 | C26 | C28 | H7 | 60.9° | 60.1° |
| O27 | C26 | C05 | H10 | 70.2° | 175.0° |
| H1 | C10 | C11 | H12 | 0.4° | 0.2° |
| H2 | C22 | C23 | H17 | 0.6° | 0.1° |
| H3 | C24 | C25 | H18 | 1.1° | 0.6° |
| H4 | C26 | C28 | H5 | 61.1° | 59.9° |
| H4 | C26 | C28 | H6 | 58.8° | 60.0° |
| H4 | C26 | C28 | H7 | 178.9° | 180.0° |
| H4 | C26 | C05 | H10 | 51.0° | 55.0° |
| H4 | C26 | O27 | H19 | 59.9° | 179.9° |
| H5 | C28 | H6 | H7 | 120.0° | 120.0° |
| H8 | N03 | O04 | H9 | 178.7° | 0.1° |
| H10 | C05 | N06 | H11 | 170.9° | 145.0° |
| H13 | C18 | C19 | H14 | 0.6° | 0.0° |
