DZN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.41Å | |
| O6 | H6 | sing | 0.97Å | 0.99Å | |
| C6 | C5 | sing | 1.53Å | 1.56Å | |
| C6 | H6C1 | sing | 1.09Å | 1.10Å | |
| C6 | H6C2 | sing | 1.09Å | 1.10Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C4 | sing | 1.53Å | 1.56Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | C1 | sing | 1.43Å | 1.43Å | |
| C4 | O4 | sing | 1.43Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HA | sing | 0.97Å | 0.99Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HB | sing | 0.97Å | 0.99Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HC | sing | 0.97Å | 0.99Å | |
| C1 | O1 | sing | 1.43Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | C18 | sing | 1.36Å | 1.42Å | |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.36Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.06Å | |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.06Å | |
| C21 | C22 | sing | 1.41Å | 1.49Å | Aromatic |
| C21 | C27 | sing | 1.48Å | 1.51Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | O24 | sing | 1.35Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.06Å | |
| O24 | C25 | sing | 1.34Å | 1.47Å | Aromatic |
| C25 | C26 | doub | 1.36Å | 1.42Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.06Å | |
| C26 | C27 | sing | 1.47Å | 1.49Å | Aromatic |
| C26 | C28 | sing | 1.48Å | 1.49Å | Aromatic |
| C27 | O35 | doub | 1.22Å | 1.26Å | |
| C28 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| C28 | C33 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.06Å | |
| C30 | C31 | doub | 1.39Å | 1.41Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.06Å | |
| C31 | O34 | sing | 1.36Å | 1.37Å | |
| C31 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| O34 | H34 | sing | 0.97Å | 0.96Å | |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.06Å | |
| C33 | H33 | sing | 1.08Å | 1.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | O6 | H6 | 109.5° | 106.7° |
| O6 | C6 | C5 | 104.6° | 109.4° |
| O6 | C6 | H6C1 | 110.7° | 109.5° |
| O6 | C6 | H6C2 | 112.3° | 109.5° |
| C5 | C6 | H6C1 | 110.7° | 109.5° |
| C5 | C6 | H6C2 | 112.3° | 109.5° |
| C6 | C5 | O5 | 110.8° | 109.4° |
| C6 | C5 | C4 | 115.8° | 109.4° |
| C6 | C5 | H5 | 105.9° | 109.4° |
| H6C1 | C6 | H6C2 | 106.3° | 109.5° |
| O5 | C5 | C4 | 114.6° | 109.8° |
| O5 | C5 | H5 | 107.4° | 109.4° |
| C5 | O5 | C1 | 115.7° | 107.6° |
| C4 | C5 | H5 | 101.2° | 109.5° |
| C5 | C4 | O4 | 110.8° | 109.6° |
| C5 | C4 | C3 | 107.9° | 109.0° |
| C5 | C4 | H4 | 111.0° | 109.6° |
| O5 | C1 | C2 | 109.5° | 109.8° |
| O5 | C1 | O1 | 116.8° | 109.4° |
| O5 | C1 | H1 | 104.1° | 109.4° |
| O4 | C4 | C3 | 112.9° | 109.6° |
| O4 | C4 | H4 | 105.7° | 109.5° |
| C4 | O4 | HA | 109.5° | 106.8° |
| C3 | C4 | H4 | 108.7° | 109.6° |
| C4 | C3 | O3 | 113.0° | 109.7° |
| C4 | C3 | C2 | 114.8° | 108.7° |
| C4 | C3 | H3 | 102.6° | 109.7° |
| O3 | C3 | C2 | 108.2° | 109.6° |
| O3 | C3 | H3 | 110.0° | 109.5° |
| C3 | O3 | HB | 109.5° | 106.9° |
| C2 | C3 | H3 | 108.0° | 109.6° |
| C3 | C2 | O2 | 109.0° | 109.7° |
| C3 | C2 | C1 | 109.4° | 109.0° |
| C3 | C2 | H2 | 108.7° | 109.6° |
| O2 | C2 | C1 | 105.9° | 109.5° |
| O2 | C2 | H2 | 112.0° | 109.5° |
| C2 | O2 | HC | 109.5° | 106.8° |
| C1 | C2 | H2 | 111.7° | 109.5° |
| C2 | C1 | O1 | 108.8° | 109.4° |
| C2 | C1 | H1 | 112.8° | 109.4° |
| O1 | C1 | H1 | 104.9° | 109.4° |
| C1 | O1 | C18 | 127.6° | 106.8° |
| O1 | C18 | C19 | 117.2° | 119.7° |
| O1 | C18 | C23 | 123.2° | 119.7° |
| C19 | C18 | C23 | 119.6° | 120.6° |
| C18 | C19 | C20 | 121.8° | 120.3° |
| C18 | C19 | H19 | 119.1° | 119.8° |
| C18 | C23 | C22 | 121.0° | 119.7° |
| C18 | C23 | H23 | 119.5° | 120.1° |
| C20 | C19 | H19 | 119.1° | 119.9° |
| C19 | C20 | C21 | 120.5° | 119.7° |
| C19 | C20 | H20 | 119.7° | 120.2° |
| C21 | C20 | H20 | 119.8° | 120.1° |
| C20 | C21 | C22 | 118.7° | 120.4° |
| C20 | C21 | C27 | 121.5° | 121.6° |
| C22 | C21 | C27 | 119.8° | 118.0° |
| C21 | C22 | C23 | 118.4° | 119.1° |
| C21 | C22 | O24 | 118.4° | 119.9° |
| C21 | C27 | C26 | 118.5° | 116.3° |
| C21 | C27 | O35 | 121.3° | 121.8° |
| C23 | C22 | O24 | 123.2° | 120.9° |
| C22 | C23 | H23 | 119.5° | 120.1° |
| C22 | O24 | C25 | 122.7° | 122.7° |
| O24 | C25 | C26 | 121.3° | 122.1° |
| O24 | C25 | H25 | 119.3° | 118.9° |
| C26 | C25 | H25 | 119.4° | 119.0° |
| C25 | C26 | C27 | 119.3° | 118.4° |
| C25 | C26 | C28 | 123.9° | 120.8° |
| C27 | C26 | C28 | 116.8° | 120.8° |
| C26 | C27 | O35 | 120.2° | 121.9° |
| C26 | C28 | C29 | 121.4° | 120.1° |
| C26 | C28 | C33 | 118.2° | 120.1° |
| C29 | C28 | C33 | 120.3° | 119.9° |
| C28 | C29 | C30 | 119.7° | 120.0° |
| C28 | C29 | H29 | 120.1° | 120.0° |
| C28 | C33 | C32 | 120.1° | 119.9° |
| C28 | C33 | H33 | 119.9° | 120.1° |
| C30 | C29 | H29 | 120.1° | 120.0° |
| C29 | C30 | C31 | 119.1° | 120.1° |
| C29 | C30 | H30 | 120.4° | 120.0° |
| C31 | C30 | H30 | 120.4° | 120.0° |
| C30 | C31 | O34 | 122.6° | 119.9° |
| C30 | C31 | C32 | 120.6° | 120.1° |
| O34 | C31 | C32 | 116.9° | 120.0° |
| C31 | O34 | H34 | 120.0° | 106.8° |
| C31 | C32 | C33 | 120.1° | 120.1° |
| C31 | C32 | H32 | 119.9° | 120.0° |
| C33 | C32 | H32 | 120.0° | 119.9° |
| C32 | C33 | H33 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H6C1 | 119.2° | 120.0° |
| O6 | C6 | C5 | H6C2 | 122.1° | 120.0° |
| O6 | C6 | H6C1 | H6C2 | 122.3° | 120.0° |
| O6 | C6 | C5 | O5 | 42.6° | 59.8° |
| O6 | C6 | C5 | C4 | 90.1° | 179.8° |
| O6 | C6 | C5 | H5 | 158.7° | 60.0° |
| H6 | O6 | C6 | C5 | 151.0° | 180.0° |
| H6 | O6 | C6 | H6C1 | 89.7° | 60.0° |
| H6 | O6 | C6 | H6C2 | 29.0° | 60.0° |
| C5 | C6 | H6C1 | H6C2 | 122.3° | 120.0° |
| C6 | C5 | O5 | C4 | 133.3° | 120.1° |
| C6 | C5 | O5 | H5 | 115.2° | 119.8° |
| C6 | C5 | C4 | H5 | 113.9° | 119.8° |
| C6 | C5 | O5 | C1 | 169.2° | 172.3° |
| C6 | C5 | C4 | O4 | 58.2° | 58.7° |
| C6 | C5 | C4 | C3 | 177.7° | 178.6° |
| C6 | C5 | C4 | H4 | 58.8° | 61.5° |
| H6C1 | C6 | C5 | O5 | 161.8° | 60.2° |
| H6C1 | C6 | C5 | C4 | 29.1° | 60.1° |
| H6C1 | C6 | C5 | H5 | 82.1° | 180.0° |
| H6C2 | C6 | C5 | O5 | 79.5° | 179.8° |
| H6C2 | C6 | C5 | C4 | 147.8° | 59.9° |
| H6C2 | C6 | C5 | H5 | 36.6° | 60.0° |
| O5 | C5 | C4 | H5 | 115.2° | 120.1° |
| O5 | C5 | C4 | O4 | 170.8° | 178.7° |
| O5 | C5 | C4 | C3 | 46.8° | 61.3° |
| O5 | C5 | C4 | H4 | 72.1° | 58.6° |
| C5 | O5 | C1 | C2 | 60.4° | 67.5° |
| C5 | O5 | C1 | O1 | 175.5° | 172.4° |
| C5 | O5 | C1 | H1 | 60.5° | 52.6° |
| C4 | C5 | O5 | C1 | 57.5° | 67.6° |
| C5 | C4 | O4 | C3 | 121.1° | 119.6° |
| C5 | C4 | O4 | H4 | 120.2° | 120.2° |
| C5 | C4 | C3 | H4 | 120.4° | 119.9° |
| C5 | C4 | O4 | HA | 42.0° | 179.5° |
| C5 | C4 | C3 | O3 | 171.0° | 173.6° |
| C5 | C4 | C3 | C2 | 46.2° | 53.8° |
| C5 | C4 | C3 | H3 | 70.7° | 66.0° |
| H5 | C5 | O5 | C1 | 54.0° | 52.6° |
| H5 | C5 | C4 | O4 | 55.7° | 61.2° |
| H5 | C5 | C4 | C3 | 68.4° | 58.8° |
| H5 | C5 | C4 | H4 | 172.7° | 178.7° |
| O5 | C1 | C2 | C3 | 55.6° | 61.2° |
| O5 | C1 | C2 | O2 | 173.0° | 178.8° |
| O5 | C1 | C2 | O1 | 128.7° | 120.1° |
| O5 | C1 | C2 | H1 | 115.4° | 120.1° |
| O5 | C1 | C2 | H2 | 64.8° | 58.7° |
| O5 | C1 | O1 | H1 | 114.6° | 119.8° |
| O5 | C1 | O1 | C18 | 45.1° | 66.2° |
| O4 | C4 | C3 | H4 | 116.9° | 120.2° |
| O4 | C4 | C3 | O3 | 66.3° | 66.5° |
| O4 | C4 | C3 | C2 | 168.9° | 173.7° |
| O4 | C4 | C3 | H3 | 52.0° | 53.9° |
| C3 | C4 | O4 | HA | 163.1° | 60.0° |
| C4 | C3 | O3 | C2 | 128.3° | 119.2° |
| C4 | C3 | O3 | H3 | 114.0° | 120.5° |
| C4 | C3 | C2 | H3 | 113.7° | 119.9° |
| C4 | C3 | O3 | HB | 129.3° | 179.2° |
| C4 | C3 | C2 | O2 | 167.3° | 173.7° |
| C4 | C3 | C2 | C1 | 51.9° | 53.7° |
| C4 | C3 | C2 | H2 | 70.3° | 66.1° |
| H4 | C4 | O4 | HA | 78.2° | 60.2° |
| H4 | C4 | C3 | O3 | 50.6° | 53.7° |
| H4 | C4 | C3 | C2 | 74.2° | 66.1° |
| H4 | C4 | C3 | H3 | 168.9° | 174.1° |
| O3 | C3 | C2 | H3 | 119.0° | 120.2° |
| O3 | C3 | C2 | O2 | 65.5° | 66.4° |
| O3 | C3 | C2 | C1 | 179.1° | 173.6° |
| O3 | C3 | C2 | H2 | 56.9° | 53.8° |
| C2 | C3 | O3 | HB | 1.0° | 60.0° |
| C3 | C2 | O2 | C1 | 117.6° | 119.6° |
| C3 | C2 | O2 | H2 | 120.4° | 120.3° |
| C3 | C2 | C1 | H2 | 120.4° | 119.9° |
| C3 | C2 | O2 | HC | 164.3° | 179.6° |
| C3 | C2 | C1 | O1 | 175.7° | 178.7° |
| C3 | C2 | C1 | H1 | 59.7° | 58.9° |
| H3 | C3 | O3 | HB | 116.8° | 60.3° |
| H3 | C3 | C2 | O2 | 53.5° | 53.8° |
| H3 | C3 | C2 | C1 | 61.9° | 66.1° |
| H3 | C3 | C2 | H2 | 175.9° | 174.0° |
| O2 | C2 | C1 | H2 | 122.2° | 120.1° |
| O2 | C2 | C1 | O1 | 58.3° | 58.6° |
| O2 | C2 | C1 | H1 | 57.6° | 61.2° |
| C1 | C2 | O2 | HC | 78.1° | 59.9° |
| C2 | C1 | O1 | H1 | 121.0° | 119.8° |
| C2 | C1 | O1 | C18 | 169.6° | 173.4° |
| H2 | C2 | O2 | HC | 43.9° | 60.2° |
| H2 | C2 | C1 | O1 | 63.9° | 61.5° |
| H2 | C2 | C1 | H1 | 179.8° | 178.7° |
| C1 | O1 | C18 | C19 | 163.7° | 5.5° |
| C1 | O1 | C18 | C23 | 15.6° | 174.3° |
| H1 | C1 | O1 | C18 | 69.4° | 53.6° |
| O1 | C18 | C19 | C23 | 179.3° | 179.7° |
| O1 | C18 | C19 | C20 | 179.6° | 179.9° |
| O1 | C18 | C19 | H19 | 0.4° | 0.2° |
| O1 | C18 | C23 | C22 | 180.0° | 179.7° |
| O1 | C18 | C23 | H23 | 0.0° | 0.1° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.7° | 0.1° |
| C18 | C19 | C20 | H20 | 179.3° | 180.0° |
| C19 | C18 | C23 | C22 | 0.8° | 0.5° |
| C19 | C18 | C23 | H23 | 179.3° | 179.7° |
| C23 | C18 | C19 | C20 | 0.3° | 0.2° |
| C23 | C18 | C19 | H19 | 179.7° | 180.0° |
| C18 | C23 | C22 | C21 | 0.1° | 0.7° |
| C18 | C23 | C22 | H23 | 180.0° | 179.8° |
| C18 | C23 | C22 | O24 | 179.3° | 179.4° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 1.3° | 0.3° |
| C19 | C20 | C21 | C27 | 179.8° | 179.7° |
| H19 | C19 | C20 | C21 | 179.3° | 179.9° |
| H19 | C19 | C20 | H20 | 0.7° | 0.1° |
| C20 | C21 | C22 | C27 | 178.9° | 180.0° |
| C20 | C21 | C22 | C23 | 0.9° | 0.6° |
| C20 | C21 | C22 | O24 | 179.6° | 179.5° |
| C20 | C21 | C27 | C26 | 178.6° | 167.9° |
| C20 | C21 | C27 | O35 | 0.7° | 12.3° |
| H20 | C20 | C21 | C22 | 178.7° | 179.8° |
| H20 | C20 | C21 | C27 | 0.1° | 0.3° |
| C21 | C22 | C23 | O24 | 179.5° | 179.9° |
| C21 | C22 | C23 | H23 | 179.9° | 179.5° |
| C21 | C22 | O24 | C25 | 1.2° | 14.5° |
| C22 | C21 | C27 | C26 | 0.3° | 12.1° |
| C22 | C21 | C27 | O35 | 179.5° | 167.7° |
| C27 | C21 | C22 | C23 | 179.7° | 179.3° |
| C27 | C21 | C22 | O24 | 0.8° | 0.5° |
| C21 | C27 | C26 | C25 | 0.9° | 12.2° |
| C21 | C27 | C26 | O35 | 179.2° | 179.8° |
| C21 | C27 | C26 | C28 | 179.8° | 167.7° |
| C23 | C22 | O24 | C25 | 179.3° | 165.4° |
| O24 | C22 | C23 | H23 | 0.6° | 0.4° |
| C22 | O24 | C25 | C26 | 0.6° | 14.8° |
| C22 | O24 | C25 | H25 | 179.4° | 165.3° |
| O24 | C25 | C26 | H25 | 180.0° | 179.9° |
| O24 | C25 | C26 | C27 | 0.4° | 0.7° |
| O24 | C25 | C26 | C28 | 179.7° | 179.4° |
| C25 | C26 | C27 | C28 | 179.3° | 179.9° |
| C25 | C26 | C27 | O35 | 179.9° | 167.7° |
| C25 | C26 | C28 | C29 | 179.4° | 60.0° |
| C25 | C26 | C28 | C33 | 0.9° | 120.2° |
| H25 | C25 | C26 | C27 | 179.6° | 179.4° |
| H25 | C25 | C26 | C28 | 0.3° | 0.5° |
| C27 | C26 | C28 | C29 | 0.1° | 120.1° |
| C27 | C26 | C28 | C33 | 178.4° | 59.7° |
| C28 | C26 | C27 | O35 | 0.6° | 12.4° |
| C26 | C28 | C29 | C33 | 178.5° | 179.8° |
| C26 | C28 | C29 | C30 | 179.9° | 180.0° |
| C26 | C28 | C29 | H29 | 0.1° | 0.0° |
| C26 | C28 | C33 | C32 | 179.6° | 179.7° |
| C26 | C28 | C33 | H33 | 0.4° | 0.2° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.3° | 0.0° |
| C28 | C29 | C30 | H30 | 179.7° | 179.9° |
| C29 | C28 | C33 | C32 | 1.9° | 0.5° |
| C29 | C28 | C33 | H33 | 178.1° | 180.0° |
| C33 | C28 | C29 | C30 | 1.5° | 0.2° |
| C33 | C28 | C29 | H29 | 178.5° | 179.8° |
| C28 | C33 | C32 | C31 | 1.2° | 0.5° |
| C28 | C33 | C32 | H33 | 180.0° | 179.6° |
| C28 | C33 | C32 | H32 | 178.8° | 179.7° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | O34 | 179.8° | 180.0° |
| C29 | C30 | C31 | C32 | 0.4° | 0.0° |
| H29 | C29 | C30 | C31 | 179.7° | 180.0° |
| H29 | C29 | C30 | H30 | 0.3° | 0.1° |
| C30 | C31 | O34 | C32 | 179.7° | 180.0° |
| C30 | C31 | O34 | H34 | 0.0° | 90.1° |
| C30 | C31 | C32 | C33 | 0.0° | 0.3° |
| C30 | C31 | C32 | H32 | 180.0° | 179.9° |
| H30 | C30 | C31 | O34 | 0.2° | 0.1° |
| H30 | C30 | C31 | C32 | 179.6° | 179.9° |
| O34 | C31 | C32 | C33 | 179.7° | 179.8° |
| O34 | C31 | C32 | H32 | 0.3° | 0.0° |
| C32 | C31 | O34 | H34 | 179.7° | 89.9° |
| C31 | C32 | C33 | H32 | 180.0° | 179.8° |
| C31 | C32 | C33 | H33 | 178.8° | 180.0° |
| H32 | C32 | C33 | H33 | 1.2° | 0.2° |
