ZHJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C15 | sing | 1.36Å | 1.40Å | |
| C14 | O13 | sing | 1.43Å | 1.40Å | |
| C15 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| O13 | C12 | sing | 1.36Å | 1.40Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.48Å | 1.52Å | |
| C08 | N07 | sing | 1.47Å | 1.45Å | |
| N07 | C06 | sing | 1.35Å | 1.45Å | |
| N20 | C21 | doub | 1.31Å | 1.48Å | |
| N20 | C05 | sing | 1.34Å | 1.45Å | |
| C21 | N28 | sing | 1.36Å | 1.49Å | |
| C06 | C05 | sing | 1.48Å | 1.52Å | |
| C06 | O19 | doub | 1.22Å | 1.18Å | |
| C05 | C03 | doub | 1.39Å | 1.49Å | |
| N28 | C02 | sing | 1.35Å | 1.45Å | |
| C03 | C02 | sing | 1.47Å | 1.49Å | |
| C03 | O04 | sing | 1.36Å | 1.40Å | |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| C08 | H1 | sing | 1.09Å | 1.10Å | |
| C08 | H2 | sing | 1.09Å | 1.10Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| N07 | H16 | sing | 0.97Å | 1.00Å | |
| N28 | H17 | sing | 0.97Å | 1.00Å | |
| O04 | H18 | sing | 0.97Å | 0.95Å | |
| O16 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C15 | C17 | 119.9° | 120.1° |
| O16 | C15 | C12 | 120.1° | 120.0° |
| C15 | O16 | H19 | 109.5° | 114.0° |
| C14 | O13 | C12 | 113.9° | 117.0° |
| O13 | C14 | H6 | 109.5° | 109.5° |
| O13 | C14 | H7 | 109.5° | 109.5° |
| O13 | C14 | H8 | 109.5° | 109.5° |
| C17 | C15 | C12 | 119.9° | 119.9° |
| C15 | C17 | C18 | 120.0° | 120.0° |
| C15 | C17 | H9 | 120.0° | 120.0° |
| C15 | C12 | O13 | 120.1° | 120.1° |
| C15 | C12 | C11 | 120.1° | 119.8° |
| C17 | C18 | C10 | 120.1° | 120.1° |
| C18 | C17 | H9 | 120.0° | 120.0° |
| C17 | C18 | H10 | 120.0° | 120.0° |
| O13 | C12 | C11 | 119.8° | 120.1° |
| C12 | C11 | C10 | 120.0° | 120.0° |
| C12 | C11 | H5 | 120.0° | 120.1° |
| C18 | C10 | C11 | 119.9° | 120.1° |
| C18 | C10 | C09 | 119.7° | 120.0° |
| C10 | C18 | H10 | 119.9° | 119.9° |
| C11 | C10 | C09 | 120.4° | 119.9° |
| C10 | C11 | H5 | 120.0° | 119.9° |
| C25 | C24 | C23 | 119.9° | 120.1° |
| C24 | C25 | C26 | 120.2° | 120.3° |
| C25 | C24 | H12 | 120.0° | 120.0° |
| C24 | C25 | H13 | 119.9° | 119.8° |
| C24 | C23 | C22 | 119.9° | 119.9° |
| C24 | C23 | H11 | 120.1° | 120.1° |
| C23 | C24 | H12 | 120.1° | 119.9° |
| C10 | C09 | C08 | 111.8° | 109.4° |
| C10 | C09 | H3 | 108.9° | 109.5° |
| C10 | C09 | H4 | 108.8° | 109.4° |
| C25 | C26 | C27 | 119.9° | 120.1° |
| C26 | C25 | H13 | 119.9° | 119.8° |
| C25 | C26 | H14 | 120.0° | 119.9° |
| C23 | C22 | C27 | 120.2° | 119.7° |
| C23 | C22 | C21 | 119.8° | 120.1° |
| C22 | C23 | H11 | 120.0° | 120.0° |
| C09 | C08 | N07 | 109.3° | 109.5° |
| C09 | C08 | H1 | 109.5° | 109.4° |
| C09 | C08 | H2 | 109.5° | 109.5° |
| C08 | C09 | H3 | 108.9° | 109.5° |
| C08 | C09 | H4 | 108.9° | 109.4° |
| C26 | C27 | C22 | 119.9° | 119.8° |
| C27 | C26 | H14 | 120.0° | 119.9° |
| C26 | C27 | H15 | 120.1° | 120.1° |
| C27 | C22 | C21 | 120.0° | 120.2° |
| C22 | C27 | H15 | 120.1° | 120.1° |
| C22 | C21 | N20 | 119.2° | 118.8° |
| C22 | C21 | N28 | 120.5° | 118.9° |
| C08 | N07 | C06 | 121.2° | 120.0° |
| N07 | C08 | H1 | 109.5° | 109.4° |
| N07 | C08 | H2 | 109.5° | 109.5° |
| C08 | N07 | H16 | 119.4° | 120.0° |
| N07 | C06 | C05 | 118.7° | 120.0° |
| N07 | C06 | O19 | 120.7° | 120.0° |
| C06 | N07 | H16 | 119.4° | 120.0° |
| C21 | N20 | C05 | 120.1° | 122.1° |
| N20 | C21 | N28 | 120.2° | 122.3° |
| N20 | C05 | C06 | 119.1° | 120.2° |
| N20 | C05 | C03 | 120.1° | 119.6° |
| C21 | N28 | C02 | 119.9° | 120.0° |
| C21 | N28 | H17 | 120.1° | 120.0° |
| C05 | C06 | O19 | 120.6° | 120.0° |
| C06 | C05 | C03 | 120.8° | 120.2° |
| C05 | C03 | C02 | 119.7° | 117.9° |
| C05 | C03 | O04 | 119.8° | 121.0° |
| N28 | C02 | C03 | 120.0° | 118.0° |
| N28 | C02 | O01 | 119.8° | 121.0° |
| C02 | N28 | H17 | 120.0° | 120.0° |
| C02 | C03 | O04 | 120.4° | 121.0° |
| C03 | C02 | O01 | 120.2° | 121.0° |
| C03 | O04 | H18 | 109.5° | 114.0° |
| H1 | C08 | H2 | 109.4° | 109.5° |
| H3 | C09 | H4 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H8 | 109.5° | 109.4° |
| H7 | C14 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C15 | C17 | C12 | 179.8° | 179.7° |
| O16 | C15 | C17 | C18 | 180.0° | 180.0° |
| O16 | C15 | C12 | O13 | 0.2° | 0.3° |
| O16 | C15 | C12 | C11 | 180.0° | 179.7° |
| O16 | C15 | C17 | H9 | 0.0° | 0.3° |
| C14 | O13 | C12 | C15 | 115.2° | 180.0° |
| C14 | O13 | C12 | C11 | 64.6° | 0.0° |
| O13 | C14 | H6 | H7 | 120.0° | 120.0° |
| O13 | C14 | H6 | H8 | 120.0° | 120.0° |
| O13 | C14 | H7 | H8 | 120.0° | 120.0° |
| C15 | C17 | C18 | H9 | 180.0° | 179.7° |
| C17 | C15 | C12 | O13 | 180.0° | 180.0° |
| C17 | C15 | C12 | C11 | 0.2° | 0.0° |
| C15 | C17 | C18 | C10 | 0.0° | 0.5° |
| C15 | C17 | C18 | H10 | 180.0° | 180.0° |
| C17 | C15 | O16 | H19 | 180.0° | 90.0° |
| C12 | C15 | C17 | C18 | 0.2° | 0.3° |
| C15 | C12 | O13 | C11 | 179.8° | 180.0° |
| C15 | C12 | C11 | C10 | 0.0° | 0.0° |
| C15 | C12 | C11 | H5 | 180.0° | 180.0° |
| C12 | C15 | C17 | H9 | 179.8° | 180.0° |
| C12 | C15 | O16 | H19 | 0.2° | 89.7° |
| C17 | C18 | C10 | H10 | 180.0° | 179.5° |
| C17 | C18 | C10 | C11 | 0.1° | 0.5° |
| C17 | C18 | C10 | C09 | 179.9° | 179.8° |
| O13 | C12 | C11 | C10 | 179.9° | 180.0° |
| O13 | C12 | C11 | H5 | 0.1° | 0.0° |
| C12 | O13 | C14 | H6 | 180.0° | 60.0° |
| C12 | O13 | C14 | H7 | 60.0° | 60.1° |
| C12 | O13 | C14 | H8 | 60.0° | 180.0° |
| C12 | C11 | C10 | C18 | 0.1° | 0.2° |
| C12 | C11 | C10 | H5 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 179.9° | 180.0° |
| C18 | C10 | C11 | C09 | 179.8° | 179.7° |
| C18 | C10 | C09 | C08 | 76.0° | 90.2° |
| C18 | C10 | C09 | H3 | 163.6° | 149.7° |
| C18 | C10 | C09 | H4 | 44.4° | 29.7° |
| C18 | C10 | C11 | H5 | 179.9° | 179.8° |
| C10 | C18 | C17 | H9 | 180.0° | 179.7° |
| C11 | C10 | C09 | C08 | 103.8° | 90.0° |
| C11 | C10 | C09 | H3 | 16.6° | 30.0° |
| C11 | C10 | C09 | H4 | 135.9° | 150.1° |
| C11 | C10 | C18 | H10 | 179.9° | 180.0° |
| C25 | C24 | C23 | H12 | 180.0° | 179.9° |
| C24 | C25 | C26 | H13 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.1° | 0.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.1° |
| C25 | C24 | C23 | H11 | 179.9° | 179.9° |
| C24 | C25 | C26 | H14 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.0° |
| C24 | C23 | C22 | H11 | 180.0° | 180.0° |
| C24 | C23 | C22 | C27 | 0.2° | 0.0° |
| C24 | C23 | C22 | C21 | 179.8° | 179.7° |
| C23 | C24 | C25 | H13 | 180.0° | 179.9° |
| C10 | C09 | C08 | H3 | 120.3° | 120.0° |
| C10 | C09 | C08 | H4 | 120.3° | 119.9° |
| C10 | C09 | C08 | N07 | 31.9° | 180.0° |
| C10 | C09 | C08 | H1 | 151.9° | 60.1° |
| C10 | C09 | C08 | H2 | 88.0° | 60.0° |
| C10 | C09 | H3 | H4 | 118.9° | 120.0° |
| C09 | C10 | C11 | H5 | 0.1° | 0.0° |
| C09 | C10 | C18 | H10 | 0.1° | 0.3° |
| C25 | C26 | C27 | H14 | 180.0° | 179.9° |
| C25 | C26 | C27 | C22 | 0.1° | 0.1° |
| C26 | C25 | C24 | H12 | 180.0° | 179.9° |
| C25 | C26 | C27 | H15 | 179.9° | 179.7° |
| C23 | C22 | C27 | C26 | 0.2° | 0.1° |
| C23 | C22 | C27 | C21 | 179.6° | 179.7° |
| C23 | C22 | C21 | N20 | 35.1° | 179.5° |
| C23 | C22 | C21 | N28 | 145.0° | 0.3° |
| C22 | C23 | C24 | H12 | 179.9° | 180.0° |
| C23 | C22 | C27 | H15 | 179.8° | 179.7° |
| C09 | C08 | N07 | H1 | 120.0° | 119.9° |
| C09 | C08 | N07 | H2 | 120.0° | 120.1° |
| C09 | C08 | N07 | C06 | 153.0° | 180.0° |
| C09 | C08 | H1 | H2 | 120.1° | 120.1° |
| C08 | C09 | H3 | H4 | 119.0° | 120.0° |
| C09 | C08 | N07 | H16 | 27.0° | 0.0° |
| C26 | C27 | C22 | H15 | 180.0° | 179.9° |
| C26 | C27 | C22 | C21 | 179.8° | 179.8° |
| C27 | C26 | C25 | H13 | 180.0° | 180.0° |
| C27 | C22 | C21 | N20 | 144.6° | 0.2° |
| C27 | C22 | C21 | N28 | 35.4° | 180.0° |
| C27 | C22 | C23 | H11 | 179.7° | 180.0° |
| C22 | C27 | C26 | H14 | 179.9° | 179.9° |
| C22 | C21 | N20 | N28 | 180.0° | 179.7° |
| C22 | C21 | N20 | C05 | 180.0° | 179.7° |
| C22 | C21 | N28 | C02 | 180.0° | 180.0° |
| C21 | C22 | C23 | H11 | 0.1° | 0.3° |
| C21 | C22 | C27 | H15 | 0.2° | 0.1° |
| C22 | C21 | N28 | H17 | 0.0° | 0.0° |
| C08 | N07 | C06 | H16 | 180.0° | 180.0° |
| C08 | N07 | C06 | C05 | 179.9° | 180.0° |
| C08 | N07 | C06 | O19 | 0.4° | 0.0° |
| N07 | C08 | H1 | H2 | 120.0° | 120.0° |
| N07 | C08 | C09 | H3 | 88.4° | 60.0° |
| N07 | C08 | C09 | H4 | 152.2° | 60.1° |
| N07 | C06 | C05 | N20 | 38.5° | 0.9° |
| N07 | C06 | C05 | O19 | 179.6° | 180.0° |
| N07 | C06 | C05 | C03 | 141.4° | 180.0° |
| C06 | N07 | C08 | H1 | 87.0° | 60.0° |
| C06 | N07 | C08 | H2 | 33.0° | 60.0° |
| C21 | N20 | C05 | C06 | 179.9° | 179.8° |
| C21 | N20 | C05 | C03 | 0.0° | 0.6° |
| N20 | C21 | N28 | C02 | 0.0° | 0.3° |
| N20 | C21 | N28 | H17 | 180.0° | 179.8° |
| C05 | N20 | C21 | N28 | 0.0° | 0.0° |
| N20 | C05 | C06 | C03 | 179.9° | 179.2° |
| N20 | C05 | C06 | O19 | 141.0° | 179.2° |
| N20 | C05 | C03 | C02 | 0.1° | 0.8° |
| N20 | C05 | C03 | O04 | 179.9° | 179.7° |
| C21 | N28 | C02 | H17 | 180.0° | 179.9° |
| C21 | N28 | C02 | C03 | 0.0° | 0.1° |
| C21 | N28 | C02 | O01 | 180.0° | 180.0° |
| C06 | C05 | C03 | C02 | 179.9° | 180.0° |
| C06 | C05 | C03 | O04 | 0.0° | 0.5° |
| C05 | C06 | N07 | H16 | 0.0° | 0.0° |
| O19 | C06 | C05 | C03 | 39.0° | 0.0° |
| O19 | C06 | N07 | H16 | 179.6° | 180.0° |
| C05 | C03 | C02 | N28 | 0.1° | 0.5° |
| C05 | C03 | C02 | O04 | 179.8° | 179.5° |
| C05 | C03 | C02 | O01 | 180.0° | 179.4° |
| C05 | C03 | O04 | H18 | 179.9° | 179.5° |
| N28 | C02 | C03 | O01 | 180.0° | 179.9° |
| N28 | C02 | C03 | O04 | 179.9° | 180.0° |
| C03 | C02 | N28 | H17 | 179.9° | 180.0° |
| C02 | C03 | O04 | H18 | 0.1° | 0.0° |
| O04 | C03 | C02 | O01 | 0.1° | 0.1° |
| O01 | C02 | N28 | H17 | 0.0° | 0.1° |
| H1 | C08 | C09 | H3 | 31.6° | 60.0° |
| H1 | C08 | C09 | H4 | 87.8° | 180.0° |
| H1 | C08 | N07 | H16 | 93.0° | 119.9° |
| H2 | C08 | C09 | H3 | 151.6° | 180.0° |
| H2 | C08 | C09 | H4 | 32.3° | 60.0° |
| H2 | C08 | N07 | H16 | 147.0° | 120.1° |
| H6 | C14 | H7 | H8 | 120.0° | 119.9° |
| H9 | C17 | C18 | H10 | 0.0° | 0.3° |
| H11 | C23 | C24 | H12 | 0.1° | 0.0° |
| H12 | C24 | C25 | H13 | 0.0° | 0.0° |
| H13 | C25 | C26 | H14 | 0.0° | 0.0° |
| H14 | C26 | C27 | H15 | 0.1° | 0.2° |
