Z5H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | sing | 1.51Å | 1.49Å | |
| C06 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C08 | sing | 1.51Å | 1.52Å | |
| C12 | C08 | sing | 1.54Å | 1.57Å | |
| C12 | C11 | sing | 1.55Å | 1.53Å | |
| C08 | C13 | sing | 1.51Å | 1.53Å | |
| C08 | C09 | sing | 1.54Å | 1.54Å | |
| N02 | C13 | sing | 1.35Å | 1.41Å | Aromatic |
| N02 | C14 | doub | 1.31Å | 1.33Å | Aromatic |
| C18 | N03 | sing | 1.47Å | 1.47Å | |
| C13 | N01 | doub | 1.30Å | 1.35Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | N03 | sing | 1.47Å | 1.49Å | |
| C14 | O01 | sing | 1.34Å | 1.36Å | Aromatic |
| C09 | C10 | sing | 1.54Å | 1.54Å | |
| C11 | C10 | sing | 1.55Å | 1.54Å | |
| N03 | C16 | sing | 1.47Å | 1.51Å | |
| N01 | O01 | sing | 1.21Å | 1.36Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.48Å | |
| C17 | C19 | doub | 1.33Å | 1.37Å | Aromatic |
| C17 | S01 | sing | 1.76Å | 1.75Å | Aromatic |
| C19 | C21 | sing | 1.38Å | 1.44Å | Aromatic |
| S01 | C20 | sing | 1.76Å | 1.68Å | Aromatic |
| C21 | C20 | doub | 1.33Å | 1.37Å | Aromatic |
| C01 | H17 | sing | 1.08Å | 1.08Å | |
| C02 | H18 | sing | 1.08Å | 1.08Å | |
| C04 | H19 | sing | 1.08Å | 1.08Å | |
| C05 | H16 | sing | 1.08Å | 1.08Å | |
| C07 | H03 | sing | 1.09Å | 1.10Å | |
| C07 | H02 | sing | 1.09Å | 1.10Å | |
| C07 | H01 | sing | 1.09Å | 1.10Å | |
| C09 | H05 | sing | 1.09Å | 1.10Å | |
| C09 | H04 | sing | 1.09Å | 1.10Å | |
| C10 | H06 | sing | 1.09Å | 1.10Å | |
| C10 | H07 | sing | 1.09Å | 1.10Å | |
| C11 | H08 | sing | 1.09Å | 1.10Å | |
| C11 | H09 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C06 | C01 | 122.3° | 120.0° |
| C07 | C06 | C05 | 122.1° | 120.0° |
| C06 | C07 | H03 | 109.5° | 109.5° |
| C06 | C07 | H02 | 109.5° | 109.5° |
| C06 | C07 | H01 | 109.5° | 109.5° |
| C01 | C06 | C05 | 115.6° | 120.0° |
| C06 | C01 | C02 | 122.7° | 120.0° |
| C06 | C01 | H17 | 118.7° | 119.9° |
| C06 | C05 | C04 | 121.4° | 120.0° |
| C06 | C05 | H16 | 119.3° | 120.0° |
| C01 | C02 | C03 | 121.7° | 120.0° |
| C02 | C01 | H17 | 118.6° | 120.1° |
| C01 | C02 | H18 | 119.2° | 120.0° |
| C05 | C04 | C03 | 123.5° | 120.0° |
| C05 | C04 | H19 | 118.2° | 120.0° |
| C04 | C05 | H16 | 119.3° | 120.0° |
| C02 | C03 | C04 | 115.1° | 120.0° |
| C02 | C03 | C08 | 126.9° | 120.0° |
| C03 | C02 | H18 | 119.2° | 120.0° |
| C04 | C03 | C08 | 117.9° | 120.0° |
| C03 | C04 | H19 | 118.3° | 120.0° |
| C03 | C08 | C12 | 110.4° | 110.0° |
| C03 | C08 | C13 | 110.0° | 110.1° |
| C03 | C08 | C09 | 114.7° | 110.0° |
| C08 | C12 | C11 | 107.7° | 104.2° |
| C12 | C08 | C13 | 108.9° | 110.0° |
| C12 | C08 | C09 | 99.7° | 106.6° |
| C08 | C12 | H10 | 109.9° | 110.5° |
| C08 | C12 | H11 | 109.9° | 110.5° |
| C12 | C11 | C10 | 104.3° | 102.8° |
| C12 | C11 | H08 | 110.7° | 110.7° |
| C12 | C11 | H09 | 110.8° | 111.0° |
| C11 | C12 | H10 | 109.9° | 110.5° |
| C11 | C12 | H11 | 109.9° | 110.5° |
| C13 | C08 | C09 | 112.7° | 110.0° |
| C08 | C13 | N02 | 123.7° | 126.2° |
| C08 | C13 | N01 | 128.7° | 126.3° |
| C08 | C09 | C10 | 108.0° | 106.6° |
| C08 | C09 | H05 | 109.8° | 110.0° |
| C08 | C09 | H04 | 109.8° | 110.0° |
| C13 | N02 | C14 | 108.2° | 105.6° |
| N02 | C13 | N01 | 107.5° | 107.4° |
| N02 | C14 | C15 | 129.8° | 126.5° |
| N02 | C14 | O01 | 107.4° | 106.9° |
| C18 | N03 | C15 | 108.1° | 111.0° |
| C18 | N03 | C16 | 106.3° | 111.0° |
| N03 | C18 | H20 | 109.5° | 109.4° |
| N03 | C18 | H21 | 109.5° | 109.5° |
| N03 | C18 | H22 | 109.5° | 109.5° |
| C13 | N01 | O01 | 106.8° | 110.3° |
| C14 | C15 | N03 | 108.3° | 109.5° |
| C15 | C14 | O01 | 122.6° | 126.5° |
| C14 | C15 | H12 | 109.8° | 109.5° |
| C14 | C15 | H13 | 109.8° | 109.5° |
| C15 | N03 | C16 | 113.3° | 111.0° |
| N03 | C15 | H12 | 109.8° | 109.5° |
| N03 | C15 | H13 | 109.8° | 109.4° |
| C14 | O01 | N01 | 110.1° | 109.8° |
| C09 | C10 | C11 | 107.0° | 104.2° |
| C10 | C09 | H05 | 109.9° | 110.0° |
| C10 | C09 | H04 | 109.9° | 110.0° |
| C09 | C10 | H06 | 110.1° | 110.5° |
| C09 | C10 | H07 | 110.1° | 110.5° |
| C11 | C10 | H06 | 110.1° | 110.5° |
| C11 | C10 | H07 | 110.1° | 110.6° |
| C10 | C11 | H08 | 110.7° | 110.7° |
| C10 | C11 | H09 | 110.7° | 110.7° |
| N03 | C16 | C17 | 110.8° | 109.4° |
| N03 | C16 | H15 | 109.1° | 109.4° |
| N03 | C16 | H14 | 109.1° | 109.5° |
| C16 | C17 | C19 | 125.9° | 125.2° |
| C16 | C17 | S01 | 122.1° | 125.2° |
| C17 | C16 | H15 | 109.1° | 109.5° |
| C17 | C16 | H14 | 109.1° | 109.5° |
| C19 | C17 | S01 | 111.9° | 109.6° |
| C17 | C19 | C21 | 111.1° | 114.9° |
| C17 | C19 | H25 | 124.4° | 122.5° |
| C17 | S01 | C20 | 91.1° | 90.9° |
| C19 | C21 | C20 | 112.2° | 114.9° |
| C21 | C19 | H25 | 124.5° | 122.5° |
| C19 | C21 | H24 | 123.9° | 122.5° |
| S01 | C20 | C21 | 113.7° | 109.6° |
| S01 | C20 | H23 | 123.1° | 125.2° |
| C21 | C20 | H23 | 123.2° | 125.2° |
| C20 | C21 | H24 | 123.9° | 122.6° |
| H03 | C07 | H02 | 109.5° | 109.4° |
| H03 | C07 | H01 | 109.4° | 109.5° |
| H02 | C07 | H01 | 109.5° | 109.4° |
| H05 | C09 | H04 | 109.5° | 110.1° |
| H06 | C10 | H07 | 109.5° | 110.4° |
| H08 | C11 | H09 | 109.4° | 110.7° |
| H10 | C12 | H11 | 109.5° | 110.6° |
| H12 | C15 | H13 | 109.4° | 109.5° |
| H15 | C16 | H14 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.4° | 109.5° |
| H20 | C18 | H22 | 109.4° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C06 | C01 | C05 | 179.4° | 179.5° |
| C07 | C06 | C01 | C02 | 179.9° | 180.0° |
| C07 | C06 | C05 | C04 | 179.7° | 180.0° |
| C07 | C06 | C01 | H17 | 0.1° | 0.2° |
| C07 | C06 | C05 | H16 | 0.3° | 0.2° |
| C06 | C07 | H03 | H02 | 120.0° | 120.0° |
| C06 | C07 | H03 | H01 | 120.0° | 120.0° |
| C06 | C07 | H02 | H01 | 120.0° | 120.0° |
| C06 | C01 | C02 | H17 | 180.0° | 179.8° |
| C01 | C06 | C05 | C04 | 0.8° | 0.5° |
| C06 | C01 | C02 | C03 | 1.6° | 0.2° |
| C06 | C01 | C02 | H18 | 178.4° | 179.8° |
| C01 | C06 | C05 | H16 | 179.1° | 179.7° |
| C01 | C06 | C07 | H03 | 89.7° | 90.1° |
| C01 | C06 | C07 | H02 | 150.3° | 150.0° |
| C01 | C06 | C07 | H01 | 30.3° | 30.0° |
| C05 | C06 | C01 | C02 | 0.6° | 0.5° |
| C06 | C05 | C04 | H16 | 180.0° | 179.8° |
| C06 | C05 | C04 | C03 | 2.1° | 0.2° |
| C05 | C06 | C01 | H17 | 179.4° | 179.7° |
| C06 | C05 | C04 | H19 | 177.9° | 179.8° |
| C05 | C06 | C07 | H03 | 89.7° | 89.4° |
| C05 | C06 | C07 | H02 | 30.3° | 30.5° |
| C05 | C06 | C07 | H01 | 150.3° | 150.5° |
| C01 | C02 | C03 | H18 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 2.5° | 0.0° |
| C01 | C02 | C03 | C08 | 178.0° | 180.0° |
| C05 | C04 | C03 | C02 | 2.8° | 0.0° |
| C05 | C04 | C03 | H19 | 180.0° | 180.0° |
| C05 | C04 | C03 | C08 | 178.7° | 180.0° |
| C02 | C03 | C04 | C08 | 175.9° | 180.0° |
| C02 | C03 | C08 | C12 | 20.4° | 127.4° |
| C02 | C03 | C08 | C13 | 140.6° | 6.0° |
| C02 | C03 | C08 | C09 | 91.2° | 115.4° |
| C03 | C02 | C01 | H17 | 178.4° | 180.0° |
| C02 | C03 | C04 | H19 | 177.2° | 180.0° |
| C04 | C03 | C08 | C12 | 154.9° | 52.6° |
| C04 | C03 | C08 | C13 | 34.7° | 174.0° |
| C04 | C03 | C08 | C09 | 93.5° | 64.6° |
| C04 | C03 | C02 | H18 | 177.4° | 180.0° |
| C03 | C04 | C05 | H16 | 177.9° | 180.0° |
| C03 | C08 | C12 | C13 | 120.8° | 121.4° |
| C03 | C08 | C12 | C09 | 121.0° | 119.3° |
| C03 | C08 | C12 | C11 | 157.6° | 142.9° |
| C03 | C08 | C13 | C09 | 129.3° | 121.4° |
| C03 | C08 | C13 | N02 | 65.7° | 59.6° |
| C03 | C08 | C13 | N01 | 115.1° | 120.7° |
| C03 | C08 | C09 | C10 | 149.6° | 119.2° |
| C08 | C03 | C02 | H18 | 2.0° | 0.0° |
| C08 | C03 | C04 | H19 | 1.3° | 0.0° |
| C03 | C08 | C09 | H05 | 90.7° | 121.5° |
| C03 | C08 | C09 | H04 | 29.8° | 0.1° |
| C03 | C08 | C12 | H10 | 37.9° | 24.2° |
| C03 | C08 | C12 | H11 | 82.6° | 98.5° |
| C08 | C12 | C11 | H10 | 119.7° | 118.6° |
| C08 | C12 | C11 | H11 | 119.7° | 118.7° |
| C12 | C08 | C13 | C09 | 109.6° | 117.2° |
| C12 | C08 | C13 | N02 | 55.3° | 61.8° |
| C12 | C08 | C13 | N01 | 123.8° | 117.9° |
| C12 | C08 | C09 | C10 | 31.7° | 0.0° |
| C08 | C12 | C11 | C10 | 27.6° | 37.9° |
| C12 | C08 | C09 | H05 | 151.5° | 119.2° |
| C12 | C08 | C09 | H04 | 88.0° | 119.3° |
| C08 | C12 | C11 | H08 | 146.8° | 80.4° |
| C08 | C12 | C11 | H09 | 91.6° | 156.2° |
| C08 | C12 | H10 | H11 | 120.8° | 122.7° |
| C11 | C12 | C08 | C13 | 81.5° | 95.7° |
| C11 | C12 | C08 | C09 | 36.7° | 23.6° |
| C12 | C11 | C10 | C09 | 6.9° | 37.9° |
| C12 | C11 | C10 | H08 | 119.2° | 118.3° |
| C12 | C11 | C10 | H09 | 119.2° | 118.5° |
| C12 | C11 | C10 | H06 | 126.5° | 156.6° |
| C12 | C11 | C10 | H07 | 112.7° | 80.8° |
| C12 | C11 | H08 | H09 | 122.4° | 123.5° |
| C11 | C12 | H10 | H11 | 120.8° | 122.6° |
| C08 | C13 | N02 | N01 | 179.3° | 179.8° |
| C08 | C13 | N02 | C14 | 179.5° | 179.9° |
| C13 | C08 | C09 | C10 | 83.6° | 119.3° |
| C08 | C13 | N01 | O01 | 179.5° | 180.0° |
| C13 | C08 | C09 | H05 | 36.2° | 0.0° |
| C13 | C08 | C09 | H04 | 156.6° | 121.4° |
| C13 | C08 | C12 | H10 | 158.7° | 145.7° |
| C13 | C08 | C12 | H11 | 38.2° | 22.9° |
| C09 | C08 | C13 | N02 | 165.0° | 179.0° |
| C09 | C08 | C13 | N01 | 14.2° | 0.7° |
| C08 | C09 | C10 | H05 | 119.8° | 119.3° |
| C08 | C09 | C10 | H04 | 119.8° | 119.3° |
| C08 | C09 | C10 | C11 | 16.5° | 23.6° |
| C08 | C09 | H05 | H04 | 120.7° | 121.4° |
| C08 | C09 | C10 | H06 | 103.1° | 142.3° |
| C08 | C09 | C10 | H07 | 136.1° | 95.2° |
| C09 | C08 | C12 | H10 | 83.1° | 95.1° |
| C09 | C08 | C12 | H11 | 156.4° | 142.2° |
| C13 | N02 | C14 | C15 | 176.2° | 179.9° |
| C13 | N02 | C14 | O01 | 1.7° | 0.2° |
| N02 | C13 | N01 | O01 | 0.3° | 0.3° |
| C14 | N02 | C13 | N01 | 1.2° | 0.3° |
| N02 | C14 | C15 | O01 | 173.7° | 179.8° |
| N02 | C14 | C15 | N03 | 78.3° | 90.1° |
| N02 | C14 | O01 | N01 | 1.6° | 0.1° |
| N02 | C14 | C15 | H12 | 41.6° | 149.9° |
| N02 | C14 | C15 | H13 | 161.9° | 29.9° |
| C18 | N03 | C15 | C14 | 71.8° | 66.0° |
| C18 | N03 | C15 | C16 | 117.5° | 124.0° |
| C18 | N03 | C16 | C17 | 77.6° | 66.0° |
| C18 | N03 | C15 | H12 | 48.1° | 173.9° |
| C18 | N03 | C15 | H13 | 168.4° | 53.9° |
| C18 | N03 | C16 | H15 | 162.2° | 53.9° |
| C18 | N03 | C16 | H14 | 42.6° | 174.0° |
| N03 | C18 | H20 | H21 | 120.0° | 120.0° |
| N03 | C18 | H20 | H22 | 120.0° | 120.0° |
| N03 | C18 | H21 | H22 | 120.0° | 120.0° |
| C13 | N01 | O01 | C14 | 0.8° | 0.1° |
| C14 | C15 | N03 | H12 | 119.9° | 120.1° |
| C14 | C15 | N03 | H13 | 119.8° | 120.0° |
| C14 | C15 | N03 | C16 | 45.7° | 170.0° |
| C15 | C14 | O01 | N01 | 176.5° | 179.9° |
| C14 | C15 | H12 | H13 | 120.5° | 120.0° |
| N03 | C15 | C14 | O01 | 95.5° | 90.1° |
| C15 | N03 | C16 | C17 | 163.9° | 169.9° |
| N03 | C15 | H12 | H13 | 120.5° | 120.0° |
| C15 | N03 | C16 | H15 | 43.7° | 70.1° |
| C15 | N03 | C16 | H14 | 75.9° | 49.9° |
| C15 | N03 | C18 | H20 | 180.0° | 60.0° |
| C15 | N03 | C18 | H21 | 60.0° | 180.0° |
| C15 | N03 | C18 | H22 | 60.0° | 60.0° |
| O01 | C14 | C15 | H12 | 144.7° | 29.9° |
| O01 | C14 | C15 | H13 | 24.4° | 149.9° |
| C09 | C10 | C11 | H06 | 119.6° | 118.7° |
| C09 | C10 | C11 | H07 | 119.6° | 118.8° |
| C10 | C09 | H05 | H04 | 120.7° | 121.4° |
| C09 | C10 | H06 | H07 | 121.2° | 122.6° |
| C09 | C10 | C11 | H08 | 126.1° | 80.4° |
| C09 | C10 | C11 | H09 | 112.3° | 156.4° |
| C11 | C10 | C09 | H05 | 136.3° | 95.6° |
| C11 | C10 | C09 | H04 | 103.3° | 142.9° |
| C11 | C10 | H06 | H07 | 121.1° | 122.7° |
| C10 | C11 | H08 | H09 | 122.4° | 123.2° |
| C10 | C11 | C12 | H10 | 92.1° | 80.7° |
| C10 | C11 | C12 | H11 | 147.4° | 156.6° |
| N03 | C16 | C17 | H15 | 120.2° | 119.9° |
| N03 | C16 | C17 | H14 | 120.2° | 120.0° |
| N03 | C16 | C17 | C19 | 111.8° | 90.1° |
| N03 | C16 | C17 | S01 | 67.4° | 90.3° |
| C16 | N03 | C15 | H12 | 165.5° | 49.9° |
| C16 | N03 | C15 | H13 | 74.2° | 70.1° |
| N03 | C16 | H15 | H14 | 119.4° | 120.0° |
| C16 | N03 | C18 | H20 | 58.1° | 176.0° |
| C16 | N03 | C18 | H21 | 61.9° | 56.0° |
| C16 | N03 | C18 | H22 | 178.1° | 64.0° |
| C16 | C17 | C19 | S01 | 179.3° | 179.7° |
| C16 | C17 | C19 | C21 | 179.5° | 179.9° |
| C16 | C17 | S01 | C20 | 179.8° | 180.0° |
| C17 | C16 | H15 | H14 | 119.4° | 120.0° |
| C16 | C17 | C19 | H25 | 0.5° | 0.1° |
| C17 | C19 | C21 | H25 | 180.0° | 180.0° |
| C19 | C17 | S01 | C20 | 0.4° | 0.4° |
| C17 | C19 | C21 | C20 | 1.5° | 0.0° |
| C19 | C17 | C16 | H15 | 128.0° | 150.0° |
| C19 | C17 | C16 | H14 | 8.3° | 29.9° |
| C17 | C19 | C21 | H24 | 178.5° | 179.9° |
| S01 | C17 | C19 | C21 | 1.1° | 0.3° |
| C17 | S01 | C20 | C21 | 0.5° | 0.4° |
| S01 | C17 | C16 | H15 | 52.8° | 29.6° |
| S01 | C17 | C16 | H14 | 172.4° | 149.7° |
| S01 | C17 | C19 | H25 | 178.8° | 179.7° |
| C17 | S01 | C20 | H23 | 179.5° | 179.8° |
| C19 | C21 | C20 | S01 | 1.2° | 0.3° |
| C19 | C21 | C20 | H24 | 180.0° | 179.9° |
| C19 | C21 | C20 | H23 | 178.8° | 179.9° |
| S01 | C20 | C21 | H23 | 180.0° | 179.8° |
| S01 | C20 | C21 | H24 | 178.8° | 179.8° |
| C20 | C21 | C19 | H25 | 178.5° | 180.0° |
| H17 | C01 | C02 | H18 | 1.6° | 0.0° |
| H19 | C04 | C05 | H16 | 2.1° | 0.0° |
| H03 | C07 | H02 | H01 | 120.0° | 120.0° |
| H05 | C09 | C10 | H06 | 16.7° | 23.0° |
| H05 | C09 | C10 | H07 | 104.1° | 145.5° |
| H04 | C09 | C10 | H06 | 137.1° | 98.4° |
| H04 | C09 | C10 | H07 | 16.3° | 24.1° |
| H06 | C10 | C11 | H08 | 114.3° | 38.3° |
| H06 | C10 | C11 | H09 | 7.3° | 84.9° |
| H07 | C10 | C11 | H08 | 6.5° | 160.9° |
| H07 | C10 | C11 | H09 | 128.1° | 37.7° |
| H08 | C11 | C12 | H10 | 27.1° | 161.0° |
| H08 | C11 | C12 | H11 | 93.4° | 38.3° |
| H09 | C11 | C12 | H10 | 148.7° | 37.6° |
| H09 | C11 | C12 | H11 | 28.2° | 85.1° |
| H20 | C18 | H21 | H22 | 120.0° | 120.1° |
| H25 | C19 | C21 | H24 | 1.5° | 0.1° |
| H23 | C20 | C21 | H24 | 1.2° | 0.0° |
