ZQU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C14 | sing | 1.37Å | 1.38Å | Aromatic |
| C10 | C05 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C08 | doub | 1.40Å | 1.41Å | Aromatic |
| C05 | C08 | sing | 1.37Å | 1.42Å | Aromatic |
| C05 | C02 | sing | 1.48Å | 1.51Å | |
| C08 | C06 | sing | 1.47Å | 1.53Å | |
| F01 | C03 | sing | 1.40Å | 1.37Å | |
| C02 | C03 | sing | 1.49Å | 1.50Å | |
| C02 | C01 | sing | 1.49Å | 1.51Å | |
| C06 | C07 | sing | 1.47Å | 1.52Å | |
| C06 | N01 | sing | 1.47Å | 1.47Å | |
| C12 | N01 | sing | 1.47Å | 1.46Å | |
| C12 | C16 | sing | 1.53Å | 1.53Å | |
| C03 | F02 | sing | 1.40Å | 1.37Å | |
| C03 | C01 | sing | 1.56Å | 1.50Å | |
| C07 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C07 | C04 | sing | 1.37Å | 1.41Å | Aromatic |
| N01 | C11 | sing | 1.47Å | 1.46Å | |
| C13 | C19 | sing | 1.37Å | 1.39Å | Aromatic |
| C01 | C04 | sing | 1.50Å | 1.50Å | |
| C16 | N02 | sing | 1.47Å | 1.46Å | |
| C04 | C09 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C15 | sing | 1.53Å | 1.53Å | |
| C09 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| N02 | C15 | sing | 1.47Å | 1.47Å | |
| N02 | C21 | sing | 1.47Å | 1.46Å | |
| C22 | O01 | sing | 1.43Å | 1.43Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | O02 | sing | 1.43Å | 1.42Å | |
| O02 | C24 | sing | 1.36Å | 1.37Å | |
| C26 | C24 | doub | 1.37Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.41Å | 1.40Å | Aromatic |
| C28 | C30 | doub | 1.36Å | 1.39Å | Aromatic |
| C25 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C25 | C27 | sing | 1.42Å | 1.40Å | Aromatic |
| C29 | C31 | sing | 1.37Å | 1.38Å | Aromatic |
| C30 | C27 | sing | 1.41Å | 1.39Å | Aromatic |
| C27 | N03 | doub | 1.34Å | 1.34Å | Aromatic |
| C31 | C32 | doub | 1.39Å | 1.37Å | Aromatic |
| N03 | C32 | sing | 1.31Å | 1.35Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| O01 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C18 | C10 | 120.3° | 118.9° |
| C18 | C20 | C14 | 119.3° | 119.6° |
| C20 | C18 | H17 | 119.9° | 120.5° |
| C18 | C20 | H19 | 120.3° | 120.2° |
| C18 | C10 | C05 | 121.8° | 121.5° |
| C18 | C10 | H5 | 119.1° | 119.2° |
| C10 | C18 | H17 | 119.8° | 120.5° |
| C20 | C14 | C08 | 121.7° | 122.0° |
| C20 | C14 | H11 | 119.2° | 119.0° |
| C14 | C20 | H19 | 120.4° | 120.2° |
| C10 | C05 | C08 | 117.8° | 120.0° |
| C10 | C05 | C02 | 118.7° | 115.8° |
| C05 | C10 | H5 | 119.1° | 119.3° |
| C14 | C08 | C05 | 119.2° | 118.0° |
| C14 | C08 | C06 | 116.9° | 114.7° |
| C08 | C14 | H11 | 119.2° | 119.0° |
| C08 | C05 | C02 | 123.5° | 124.2° |
| C05 | C08 | C06 | 123.8° | 127.3° |
| C05 | C02 | C03 | 121.2° | 127.3° |
| C05 | C02 | C01 | 121.5° | 124.1° |
| C05 | C02 | H2 | 114.5° | 110.3° |
| C08 | C06 | C07 | 108.0° | 124.5° |
| C08 | C06 | N01 | 116.5° | 106.4° |
| C08 | C06 | H3 | 105.0° | 106.3° |
| F01 | C03 | C02 | 120.7° | 117.7° |
| F01 | C03 | F02 | 108.3° | 115.7° |
| F01 | C03 | C01 | 119.4° | 117.7° |
| C03 | C02 | C01 | 59.6° | 63.0° |
| C02 | C03 | F02 | 122.1° | 117.7° |
| C02 | C03 | C01 | 60.4° | 58.3° |
| C03 | C02 | H2 | 114.6° | 110.2° |
| C02 | C01 | C03 | 60.0° | 58.7° |
| C02 | C01 | C04 | 123.8° | 129.3° |
| C02 | C01 | H1 | 114.8° | 114.8° |
| C01 | C02 | H2 | 114.5° | 114.7° |
| C07 | C06 | N01 | 115.6° | 106.4° |
| C06 | C07 | C13 | 119.1° | 115.0° |
| C06 | C07 | C04 | 122.1° | 127.0° |
| C07 | C06 | H3 | 105.0° | 106.4° |
| C06 | N01 | C12 | 115.5° | 110.9° |
| C06 | N01 | C11 | 114.4° | 111.0° |
| N01 | C06 | H3 | 105.6° | 105.6° |
| N01 | C12 | C16 | 107.2° | 109.3° |
| C12 | N01 | C11 | 108.6° | 110.9° |
| N01 | C12 | H8 | 110.0° | 109.5° |
| N01 | C12 | H9 | 110.0° | 109.5° |
| C12 | C16 | N02 | 109.9° | 109.4° |
| C16 | C12 | H8 | 110.0° | 109.5° |
| C16 | C12 | H9 | 110.1° | 109.5° |
| C12 | C16 | H14 | 109.3° | 109.5° |
| C12 | C16 | H15 | 109.4° | 109.5° |
| F02 | C03 | C01 | 119.4° | 117.7° |
| C03 | C01 | C04 | 117.2° | 111.6° |
| C03 | C01 | H1 | 115.0° | 116.6° |
| C13 | C07 | C04 | 118.7° | 118.0° |
| C07 | C13 | C19 | 121.3° | 122.0° |
| C07 | C13 | H10 | 119.4° | 119.0° |
| C07 | C04 | C01 | 122.9° | 124.8° |
| C07 | C04 | C09 | 118.6° | 119.8° |
| N01 | C11 | C15 | 108.8° | 109.4° |
| N01 | C11 | H6 | 109.6° | 109.5° |
| N01 | C11 | H7 | 109.6° | 109.5° |
| C13 | C19 | C17 | 120.4° | 119.5° |
| C19 | C13 | H10 | 119.4° | 119.0° |
| C13 | C19 | H18 | 119.8° | 120.3° |
| C01 | C04 | C09 | 118.5° | 115.4° |
| C04 | C01 | H1 | 114.9° | 113.0° |
| C16 | N02 | C15 | 112.8° | 110.9° |
| C16 | N02 | C21 | 109.7° | 111.0° |
| N02 | C16 | H14 | 109.4° | 109.5° |
| N02 | C16 | H15 | 109.4° | 109.5° |
| C04 | C09 | C17 | 122.2° | 121.5° |
| C04 | C09 | H4 | 118.9° | 119.3° |
| C19 | C17 | C09 | 118.8° | 119.0° |
| C19 | C17 | H16 | 120.6° | 120.5° |
| C17 | C19 | H18 | 119.8° | 120.2° |
| C11 | C15 | N02 | 112.1° | 109.4° |
| C15 | C11 | H6 | 109.6° | 109.5° |
| C15 | C11 | H7 | 109.6° | 109.5° |
| C11 | C15 | H12 | 108.8° | 109.5° |
| C11 | C15 | H13 | 108.8° | 109.5° |
| C17 | C09 | H4 | 118.9° | 119.3° |
| C09 | C17 | H16 | 120.6° | 120.5° |
| C15 | N02 | C21 | 110.7° | 111.0° |
| N02 | C15 | H12 | 108.8° | 109.5° |
| N02 | C15 | H13 | 108.8° | 109.5° |
| N02 | C21 | C22 | 110.3° | 109.4° |
| N02 | C21 | H20 | 109.2° | 109.5° |
| N02 | C21 | H21 | 109.3° | 109.5° |
| O01 | C22 | C21 | 107.4° | 109.5° |
| O01 | C22 | C23 | 109.0° | 109.5° |
| O01 | C22 | H22 | 109.7° | 109.4° |
| C22 | O01 | H33 | 109.5° | 113.9° |
| C21 | C22 | C23 | 114.0° | 109.5° |
| C22 | C21 | H20 | 109.3° | 109.5° |
| C22 | C21 | H21 | 109.2° | 109.4° |
| C21 | C22 | H22 | 108.4° | 109.5° |
| C22 | C23 | O02 | 109.6° | 109.5° |
| C23 | C22 | H22 | 108.4° | 109.5° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C22 | C23 | H24 | 109.4° | 109.5° |
| C23 | O02 | C24 | 118.2° | 117.0° |
| O02 | C23 | H23 | 109.4° | 109.5° |
| O02 | C23 | H24 | 109.5° | 109.5° |
| O02 | C24 | C26 | 119.2° | 120.3° |
| O02 | C24 | C25 | 120.6° | 120.2° |
| C24 | C26 | C28 | 119.6° | 120.8° |
| C26 | C24 | C25 | 120.1° | 119.5° |
| C24 | C26 | H25 | 120.2° | 119.6° |
| C26 | C28 | C30 | 120.0° | 121.2° |
| C28 | C26 | H25 | 120.2° | 119.6° |
| C26 | C28 | H26 | 120.0° | 119.4° |
| C24 | C25 | C29 | 121.5° | 121.4° |
| C24 | C25 | C27 | 120.7° | 119.5° |
| C28 | C30 | C27 | 121.5° | 119.8° |
| C30 | C28 | H26 | 120.0° | 119.4° |
| C28 | C30 | H28 | 119.3° | 120.1° |
| C29 | C25 | C27 | 117.8° | 119.1° |
| C25 | C29 | C31 | 120.7° | 118.2° |
| C25 | C29 | H27 | 119.6° | 121.0° |
| C25 | C27 | C30 | 118.1° | 119.1° |
| C25 | C27 | N03 | 121.8° | 119.8° |
| C29 | C31 | C32 | 117.3° | 119.9° |
| C31 | C29 | H27 | 119.6° | 120.9° |
| C29 | C31 | H29 | 121.4° | 120.0° |
| C30 | C27 | N03 | 120.0° | 121.1° |
| C27 | C30 | H28 | 119.3° | 120.1° |
| C27 | N03 | C32 | 118.5° | 121.3° |
| C31 | C32 | N03 | 123.9° | 121.7° |
| C32 | C31 | H29 | 121.3° | 120.1° |
| C31 | C32 | H30 | 118.1° | 119.1° |
| N03 | C32 | H30 | 118.0° | 119.1° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.4° | 109.6° |
| H20 | C21 | H21 | 109.4° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C18 | C10 | H17 | 180.0° | 179.9° |
| C18 | C20 | C14 | H19 | 180.0° | 179.8° |
| C20 | C18 | C10 | C05 | 0.2° | 0.1° |
| C18 | C20 | C14 | C08 | 0.7° | 0.1° |
| C20 | C18 | C10 | H5 | 179.8° | 180.0° |
| C18 | C20 | C14 | H11 | 179.3° | 180.0° |
| C10 | C18 | C20 | C14 | 0.1° | 0.4° |
| C18 | C10 | C05 | H5 | 180.0° | 179.9° |
| C18 | C10 | C05 | C08 | 0.8° | 0.6° |
| C18 | C10 | C05 | C02 | 179.6° | 179.1° |
| C10 | C18 | C20 | H19 | 179.9° | 179.7° |
| C20 | C14 | C08 | H11 | 180.0° | 179.9° |
| C20 | C14 | C08 | C05 | 1.3° | 0.6° |
| C20 | C14 | C08 | C06 | 179.6° | 179.0° |
| C14 | C20 | C18 | H17 | 179.9° | 179.6° |
| C10 | C05 | C08 | C14 | 1.4° | 0.9° |
| C10 | C05 | C08 | C02 | 178.7° | 179.6° |
| C10 | C05 | C08 | C06 | 179.5° | 178.6° |
| C10 | C05 | C02 | C03 | 72.7° | 136.0° |
| C10 | C05 | C02 | C01 | 143.9° | 144.0° |
| C10 | C05 | C02 | H2 | 71.6° | 2.1° |
| C05 | C10 | C18 | H17 | 179.8° | 180.0° |
| C14 | C08 | C05 | C06 | 178.2° | 179.5° |
| C14 | C08 | C05 | C02 | 179.9° | 178.7° |
| C14 | C08 | C06 | C07 | 113.4° | 137.3° |
| C14 | C08 | C06 | N01 | 114.6° | 13.3° |
| C14 | C08 | C06 | H3 | 1.7° | 98.8° |
| C08 | C14 | C20 | H19 | 179.3° | 179.9° |
| C08 | C05 | C02 | C03 | 108.6° | 43.7° |
| C08 | C05 | C02 | C01 | 37.4° | 36.3° |
| C05 | C08 | C06 | C07 | 64.9° | 42.2° |
| C05 | C08 | C06 | N01 | 67.2° | 166.2° |
| C08 | C05 | C02 | H2 | 107.1° | 178.3° |
| C05 | C08 | C06 | H3 | 176.5° | 81.7° |
| C08 | C05 | C10 | H5 | 179.2° | 179.4° |
| C05 | C08 | C14 | H11 | 178.7° | 179.4° |
| C02 | C05 | C08 | C06 | 1.7° | 1.8° |
| C05 | C02 | C03 | F01 | 2.0° | 6.7° |
| C05 | C02 | C03 | C01 | 110.6° | 113.7° |
| C05 | C02 | C03 | H2 | 144.3° | 138.1° |
| C05 | C02 | C01 | H2 | 144.5° | 140.5° |
| C05 | C02 | C03 | F02 | 141.3° | 139.3° |
| C05 | C02 | C01 | C04 | 5.8° | 25.0° |
| C05 | C02 | C01 | H1 | 144.1° | 134.3° |
| C02 | C05 | C10 | H5 | 0.4° | 1.0° |
| C08 | C06 | C07 | N01 | 132.5° | 123.9° |
| C08 | C06 | C07 | H3 | 111.6° | 123.8° |
| C08 | C06 | N01 | H3 | 116.0° | 112.6° |
| C08 | C06 | N01 | C12 | 28.7° | 48.9° |
| C08 | C06 | C07 | C13 | 113.0° | 139.9° |
| C08 | C06 | C07 | C04 | 65.6° | 41.0° |
| C08 | C06 | N01 | C11 | 155.9° | 74.9° |
| C06 | C08 | C14 | H11 | 0.3° | 1.1° |
| F01 | C03 | C02 | F02 | 143.3° | 146.0° |
| F01 | C03 | C02 | C01 | 108.6° | 107.0° |
| F01 | C03 | F02 | C01 | 141.2° | 146.6° |
| F01 | C03 | C01 | C04 | 4.5° | 16.8° |
| F01 | C03 | C01 | H1 | 144.0° | 148.9° |
| F01 | C03 | C02 | H2 | 146.3° | 144.8° |
| C03 | C02 | C01 | H2 | 105.2° | 101.1° |
| C02 | C03 | F02 | C01 | 71.5° | 66.7° |
| C03 | C02 | C01 | C04 | 104.4° | 93.4° |
| C03 | C02 | C01 | H1 | 105.7° | 107.3° |
| C02 | C01 | C04 | C07 | 45.0° | 1.3° |
| C02 | C01 | C04 | H1 | 149.9° | 159.6° |
| C02 | C01 | C04 | C09 | 135.3° | 177.7° |
| C07 | C06 | N01 | H3 | 115.6° | 112.8° |
| C07 | C06 | N01 | C12 | 157.2° | 85.7° |
| C06 | C07 | C13 | C04 | 178.6° | 179.2° |
| C07 | C06 | N01 | C11 | 75.6° | 150.5° |
| C06 | C07 | C13 | C19 | 179.3° | 175.4° |
| C06 | C07 | C04 | C01 | 1.1° | 7.6° |
| C06 | C07 | C04 | C09 | 179.2° | 173.4° |
| C06 | C07 | C13 | H10 | 0.7° | 4.6° |
| C06 | N01 | C12 | C11 | 130.0° | 123.9° |
| C06 | N01 | C12 | C16 | 162.4° | 176.8° |
| N01 | C06 | C07 | C13 | 114.6° | 16.0° |
| N01 | C06 | C07 | C04 | 66.9° | 164.9° |
| C06 | N01 | C11 | C15 | 166.0° | 176.8° |
| C06 | N01 | C11 | H6 | 74.1° | 56.8° |
| C06 | N01 | C11 | H7 | 46.1° | 63.2° |
| C06 | N01 | C12 | H8 | 42.7° | 63.3° |
| C06 | N01 | C12 | H9 | 78.0° | 56.9° |
| N01 | C12 | C16 | H8 | 119.7° | 120.0° |
| N01 | C12 | C16 | H9 | 119.6° | 120.0° |
| N01 | C12 | C16 | N02 | 61.8° | 58.4° |
| C12 | N01 | C11 | C15 | 63.4° | 59.4° |
| C12 | N01 | C06 | H3 | 87.2° | 161.5° |
| C12 | N01 | C11 | H6 | 56.5° | 179.4° |
| C12 | N01 | C11 | H7 | 176.7° | 60.6° |
| N01 | C12 | H8 | H9 | 121.0° | 120.1° |
| N01 | C12 | C16 | H14 | 58.3° | 61.5° |
| N01 | C12 | C16 | H15 | 178.1° | 178.4° |
| C16 | C12 | N01 | C11 | 67.6° | 59.4° |
| C12 | C16 | N02 | H14 | 120.0° | 119.9° |
| C12 | C16 | N02 | H15 | 120.1° | 119.9° |
| C12 | C16 | N02 | C15 | 53.4° | 59.3° |
| C12 | C16 | N02 | C21 | 177.3° | 176.8° |
| C16 | C12 | H8 | H9 | 121.1° | 120.0° |
| C12 | C16 | H14 | H15 | 119.8° | 120.0° |
| F02 | C03 | C01 | C04 | 132.5° | 129.1° |
| F02 | C03 | C01 | H1 | 7.0° | 2.9° |
| F02 | C03 | C02 | H2 | 3.0° | 1.2° |
| C03 | C01 | C04 | C07 | 115.6° | 65.2° |
| C03 | C01 | C04 | H1 | 139.5° | 133.8° |
| C03 | C01 | C04 | C09 | 64.7° | 115.7° |
| C07 | C13 | C19 | H10 | 180.0° | 179.9° |
| C13 | C07 | C04 | C01 | 179.7° | 173.3° |
| C13 | C07 | C04 | C09 | 0.7° | 5.7° |
| C07 | C13 | C19 | C17 | 0.4° | 0.4° |
| C13 | C07 | C06 | H3 | 1.4° | 96.2° |
| C07 | C13 | C19 | H18 | 179.6° | 179.7° |
| C04 | C07 | C13 | C19 | 0.7° | 3.8° |
| C07 | C04 | C01 | C09 | 179.7° | 179.1° |
| C07 | C04 | C09 | C17 | 0.3° | 3.7° |
| C07 | C04 | C01 | H1 | 104.9° | 160.9° |
| C04 | C07 | C06 | H3 | 177.2° | 82.8° |
| C07 | C04 | C09 | H4 | 179.7° | 176.4° |
| C04 | C07 | C13 | H10 | 179.3° | 176.3° |
| N01 | C11 | C15 | H6 | 119.9° | 120.0° |
| N01 | C11 | C15 | H7 | 119.9° | 120.0° |
| N01 | C11 | C15 | N02 | 53.6° | 58.4° |
| C11 | N01 | C06 | H3 | 40.0° | 37.7° |
| N01 | C11 | H6 | H7 | 120.3° | 120.0° |
| C11 | N01 | C12 | H8 | 172.8° | 60.6° |
| C11 | N01 | C12 | H9 | 52.1° | 179.3° |
| N01 | C11 | C15 | H12 | 174.0° | 178.4° |
| N01 | C11 | C15 | H13 | 66.8° | 61.6° |
| C13 | C19 | C17 | H18 | 180.0° | 179.9° |
| C13 | C19 | C17 | C09 | 0.0° | 2.5° |
| C13 | C19 | C17 | H16 | 180.0° | 177.6° |
| C01 | C04 | C09 | C17 | 180.0° | 175.4° |
| C04 | C01 | C02 | H2 | 150.4° | 165.5° |
| C01 | C04 | C09 | H4 | 0.0° | 4.4° |
| C16 | N02 | C15 | C11 | 49.6° | 59.3° |
| C16 | N02 | C15 | C21 | 123.4° | 123.9° |
| C16 | N02 | C21 | C22 | 68.9° | 75.8° |
| N02 | C16 | C12 | H8 | 178.6° | 61.5° |
| N02 | C16 | C12 | H9 | 57.9° | 178.4° |
| C16 | N02 | C15 | H12 | 170.0° | 179.3° |
| C16 | N02 | C15 | H13 | 70.8° | 60.7° |
| N02 | C16 | H14 | H15 | 119.8° | 120.1° |
| C16 | N02 | C21 | H20 | 171.0° | 44.2° |
| C16 | N02 | C21 | H21 | 51.2° | 164.3° |
| C04 | C09 | C17 | C19 | 0.1° | 0.6° |
| C04 | C09 | C17 | H4 | 180.0° | 179.9° |
| C09 | C04 | C01 | H1 | 74.8° | 18.1° |
| C04 | C09 | C17 | H16 | 179.9° | 179.6° |
| C19 | C17 | C09 | H16 | 180.0° | 179.8° |
| C19 | C17 | C09 | H4 | 179.9° | 179.3° |
| C17 | C19 | C13 | H10 | 179.7° | 179.6° |
| C11 | C15 | N02 | H12 | 120.4° | 120.0° |
| C11 | C15 | N02 | H13 | 120.4° | 120.0° |
| C11 | C15 | N02 | C21 | 173.0° | 176.8° |
| C15 | C11 | H6 | H7 | 120.3° | 120.1° |
| C11 | C15 | H12 | H13 | 118.8° | 120.1° |
| C09 | C17 | C19 | H18 | 180.0° | 177.5° |
| C15 | N02 | C21 | C22 | 166.0° | 160.4° |
| N02 | C15 | C11 | H6 | 66.3° | 178.4° |
| N02 | C15 | C11 | H7 | 173.6° | 61.6° |
| N02 | C15 | H12 | H13 | 118.8° | 120.0° |
| C15 | N02 | C16 | H14 | 66.6° | 60.6° |
| C15 | N02 | C16 | H15 | 173.5° | 179.2° |
| C15 | N02 | C21 | H20 | 45.8° | 79.6° |
| C15 | N02 | C21 | H21 | 73.9° | 40.5° |
| N02 | C21 | C22 | O01 | 87.0° | 62.3° |
| N02 | C21 | C22 | H20 | 120.1° | 120.0° |
| N02 | C21 | C22 | H21 | 120.2° | 120.0° |
| N02 | C21 | C22 | C23 | 152.1° | 177.7° |
| C21 | N02 | C15 | H12 | 66.7° | 56.8° |
| C21 | N02 | C15 | H13 | 52.6° | 63.2° |
| C21 | N02 | C16 | H14 | 57.3° | 63.2° |
| C21 | N02 | C16 | H15 | 62.6° | 56.9° |
| N02 | C21 | H20 | H21 | 119.6° | 120.0° |
| N02 | C21 | C22 | H22 | 31.4° | 57.7° |
| O01 | C22 | C21 | C23 | 120.9° | 120.0° |
| O01 | C22 | C21 | H22 | 118.4° | 120.0° |
| O01 | C22 | C23 | H22 | 119.3° | 120.0° |
| O01 | C22 | C23 | O02 | 90.0° | 65.0° |
| O01 | C22 | C21 | H20 | 33.1° | 177.7° |
| O01 | C22 | C21 | H21 | 152.8° | 57.7° |
| O01 | C22 | C23 | H23 | 150.0° | 55.0° |
| O01 | C22 | C23 | H24 | 30.0° | 175.0° |
| C21 | C22 | C23 | H22 | 120.8° | 120.0° |
| C21 | C22 | C23 | O02 | 29.9° | 175.0° |
| C22 | C21 | H20 | H21 | 119.6° | 120.0° |
| C21 | C22 | C23 | H23 | 90.1° | 65.0° |
| C21 | C22 | C23 | H24 | 149.9° | 55.0° |
| C21 | C22 | O01 | H33 | 180.0° | 60.0° |
| C22 | C23 | O02 | H23 | 120.0° | 120.0° |
| C22 | C23 | O02 | H24 | 120.0° | 120.0° |
| C22 | C23 | O02 | C24 | 137.8° | 180.0° |
| C23 | C22 | C21 | H20 | 87.7° | 57.7° |
| C23 | C22 | C21 | H21 | 32.0° | 62.3° |
| C22 | C23 | H23 | H24 | 119.9° | 120.0° |
| C23 | C22 | O01 | H33 | 56.0° | 60.1° |
| C23 | O02 | C24 | C26 | 26.9° | 0.3° |
| C23 | O02 | C24 | C25 | 153.3° | 180.0° |
| O02 | C23 | C22 | H22 | 150.7° | 55.0° |
| O02 | C23 | H23 | H24 | 120.0° | 120.0° |
| O02 | C24 | C26 | C25 | 179.8° | 179.7° |
| O02 | C24 | C26 | C28 | 179.9° | 179.7° |
| O02 | C24 | C25 | C29 | 0.3° | 0.3° |
| O02 | C24 | C25 | C27 | 180.0° | 179.7° |
| C24 | O02 | C23 | H23 | 102.2° | 60.0° |
| C24 | O02 | C23 | H24 | 17.8° | 60.0° |
| O02 | C24 | C26 | H25 | 0.1° | 0.3° |
| C24 | C26 | C28 | H25 | 180.0° | 179.9° |
| C24 | C26 | C28 | C30 | 0.3° | 0.1° |
| C26 | C24 | C25 | C29 | 180.0° | 180.0° |
| C26 | C24 | C25 | C27 | 0.2° | 0.0° |
| C24 | C26 | C28 | H26 | 179.7° | 180.0° |
| C28 | C26 | C24 | C25 | 0.3° | 0.0° |
| C26 | C28 | C30 | H26 | 180.0° | 179.9° |
| C26 | C28 | C30 | C27 | 0.3° | 0.0° |
| C26 | C28 | C30 | H28 | 179.7° | 179.9° |
| C24 | C25 | C29 | C27 | 179.8° | 179.9° |
| C24 | C25 | C29 | C31 | 180.0° | 180.0° |
| C24 | C25 | C27 | C30 | 0.2° | 0.0° |
| C24 | C25 | C27 | N03 | 179.9° | 179.9° |
| C25 | C24 | C26 | H25 | 179.7° | 180.0° |
| C24 | C25 | C29 | H27 | 0.1° | 0.0° |
| C28 | C30 | C27 | C25 | 0.2° | 0.0° |
| C28 | C30 | C27 | H28 | 180.0° | 180.0° |
| C28 | C30 | C27 | N03 | 179.9° | 180.0° |
| C30 | C28 | C26 | H25 | 179.7° | 180.0° |
| C25 | C29 | C31 | H27 | 180.0° | 180.0° |
| C29 | C25 | C27 | C30 | 179.9° | 180.0° |
| C29 | C25 | C27 | N03 | 0.3° | 0.0° |
| C25 | C29 | C31 | C32 | 0.2° | 0.0° |
| C25 | C29 | C31 | H29 | 179.8° | 180.0° |
| C27 | C25 | C29 | C31 | 0.3° | 0.0° |
| C25 | C27 | C30 | N03 | 179.8° | 180.0° |
| C25 | C27 | N03 | C32 | 0.3° | 0.0° |
| C27 | C25 | C29 | H27 | 179.7° | 179.9° |
| C25 | C27 | C30 | H28 | 179.8° | 180.0° |
| C29 | C31 | C32 | H29 | 180.0° | 180.0° |
| C29 | C31 | C32 | N03 | 0.2° | 0.0° |
| C29 | C31 | C32 | H30 | 179.9° | 180.0° |
| C30 | C27 | N03 | C32 | 180.0° | 180.0° |
| C27 | C30 | C28 | H26 | 179.7° | 180.0° |
| C27 | N03 | C32 | C31 | 0.2° | 0.1° |
| N03 | C27 | C30 | H28 | 0.1° | 0.0° |
| C27 | N03 | C32 | H30 | 179.8° | 180.0° |
| C31 | C32 | N03 | H30 | 180.0° | 179.9° |
| C32 | C31 | C29 | H27 | 179.8° | 180.0° |
| N03 | C32 | C31 | H29 | 179.8° | 180.0° |
| H1 | C01 | C02 | H2 | 0.4° | 6.2° |
| H4 | C09 | C17 | H16 | 0.1° | 0.5° |
| H5 | C10 | C18 | H17 | 0.2° | 0.0° |
| H6 | C11 | C15 | H12 | 54.1° | 61.7° |
| H6 | C11 | C15 | H13 | 173.3° | 58.4° |
| H7 | C11 | C15 | H12 | 66.0° | 58.4° |
| H7 | C11 | C15 | H13 | 53.2° | 178.4° |
| H8 | C12 | C16 | H14 | 61.4° | 178.5° |
| H8 | C12 | C16 | H15 | 58.5° | 58.4° |
| H9 | C12 | C16 | H14 | 177.9° | 58.4° |
| H9 | C12 | C16 | H15 | 62.2° | 61.7° |
| H10 | C13 | C19 | H18 | 0.3° | 0.3° |
| H11 | C14 | C20 | H19 | 0.7° | 0.1° |
| H16 | C17 | C19 | H18 | 0.0° | 2.3° |
| H17 | C18 | C20 | H19 | 0.1° | 0.2° |
| H20 | C21 | C22 | H22 | 151.5° | 62.3° |
| H21 | C21 | C22 | H22 | 88.8° | 177.7° |
| H22 | C22 | C23 | H23 | 30.7° | 175.0° |
| H22 | C22 | C23 | H24 | 89.3° | 65.0° |
| H22 | C22 | O01 | H33 | 62.4° | 180.0° |
| H25 | C26 | C28 | H26 | 0.3° | 0.1° |
| H26 | C28 | C30 | H28 | 0.3° | 0.0° |
| H27 | C29 | C31 | H29 | 0.2° | 0.0° |
| H29 | C31 | C32 | H30 | 0.1° | 0.0° |
