ZP6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C5 | sing | 1.51Å | 1.52Å | |
| C7 | O1 | sing | 1.45Å | 1.44Å | |
| C5 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| O1 | C8 | sing | 1.35Å | 1.46Å | |
| C2 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.55Å | 1.51Å | |
| C9 | N1 | sing | 1.48Å | 1.45Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.55Å | 1.51Å | |
| C8 | N1 | sing | 1.35Å | 1.34Å | |
| C8 | O2 | doub | 1.21Å | 1.23Å | |
| N1 | C12 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| O4 | C15 | doub | 1.21Å | 1.26Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| N2 | C13 | sing | 1.35Å | 1.32Å | |
| N2 | C14 | sing | 1.47Å | 1.45Å | |
| C13 | O3 | doub | 1.21Å | 1.22Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | O5 | sing | 1.34Å | 1.26Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C14 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| O5 | H1 | sing | 0.97Å | 0.95Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.08Å | 1.08Å | |
| C1 | H21 | sing | 1.08Å | 1.08Å | |
| C4 | H22 | sing | 1.08Å | 1.08Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å | |
| C2 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C6 | C5 | 119.8° | 120.0° |
| C6 | C1 | C2 | 120.5° | 120.0° |
| C1 | C6 | H20 | 120.1° | 120.0° |
| C6 | C1 | H21 | 119.8° | 120.0° |
| C6 | C5 | C7 | 121.3° | 120.0° |
| C6 | C5 | C4 | 119.3° | 120.0° |
| C5 | C6 | H20 | 120.1° | 120.0° |
| C1 | C2 | C3 | 120.2° | 120.0° |
| C2 | C1 | H21 | 119.7° | 120.0° |
| C1 | C2 | H24 | 119.9° | 120.0° |
| C5 | C7 | O1 | 113.5° | 109.5° |
| C7 | C5 | C4 | 119.4° | 120.0° |
| C5 | C7 | H18 | 108.5° | 109.5° |
| C5 | C7 | H19 | 108.5° | 109.5° |
| C7 | O1 | C8 | 122.0° | 117.0° |
| O1 | C7 | H18 | 108.4° | 109.5° |
| O1 | C7 | H19 | 108.5° | 109.5° |
| C5 | C4 | C3 | 121.7° | 120.0° |
| C5 | C4 | H22 | 119.1° | 120.0° |
| O1 | C8 | N1 | 116.7° | 120.0° |
| O1 | C8 | O2 | 119.2° | 120.0° |
| C2 | C3 | C4 | 118.4° | 120.0° |
| C2 | C3 | H23 | 120.8° | 120.0° |
| C3 | C2 | H24 | 119.9° | 120.1° |
| C10 | C9 | N1 | 105.4° | 104.9° |
| C9 | C10 | C11 | 105.9° | 101.6° |
| C9 | C10 | H14 | 110.4° | 111.0° |
| C9 | C10 | H15 | 110.4° | 111.0° |
| C10 | C9 | H16 | 110.5° | 110.4° |
| C10 | C9 | H17 | 110.5° | 110.4° |
| C9 | N1 | C8 | 123.9° | 125.7° |
| C9 | N1 | C12 | 112.7° | 108.5° |
| N1 | C9 | H16 | 110.5° | 110.4° |
| N1 | C9 | H17 | 110.5° | 110.3° |
| C3 | C4 | H22 | 119.1° | 120.0° |
| C4 | C3 | H23 | 120.8° | 120.0° |
| C10 | C11 | C12 | 106.3° | 102.9° |
| C10 | C11 | H12 | 110.3° | 110.7° |
| C10 | C11 | H13 | 110.3° | 110.9° |
| C11 | C10 | H14 | 110.3° | 111.0° |
| C11 | C10 | H15 | 110.4° | 111.0° |
| N1 | C8 | O2 | 124.1° | 120.0° |
| C8 | N1 | C12 | 123.3° | 125.8° |
| N1 | C12 | C11 | 102.2° | 107.4° |
| N1 | C12 | C13 | 117.9° | 109.9° |
| N1 | C12 | H11 | 109.9° | 109.9° |
| C11 | C12 | C13 | 107.8° | 109.9° |
| C11 | C12 | H11 | 109.2° | 109.9° |
| C12 | C11 | H12 | 110.2° | 110.7° |
| C12 | C11 | H13 | 110.2° | 110.7° |
| O4 | C15 | C14 | 117.1° | 120.0° |
| O4 | C15 | O5 | 121.1° | 120.0° |
| C12 | C13 | N2 | 117.9° | 120.0° |
| C12 | C13 | O3 | 119.2° | 120.0° |
| C13 | C12 | H11 | 109.3° | 109.9° |
| C13 | N2 | C14 | 124.9° | 120.0° |
| N2 | C13 | O3 | 122.8° | 120.0° |
| C13 | N2 | H10 | 117.5° | 120.0° |
| N2 | C14 | C15 | 107.9° | 109.5° |
| N2 | C14 | C16 | 106.8° | 109.4° |
| N2 | C14 | H2 | 110.6° | 109.5° |
| C14 | N2 | H10 | 117.6° | 120.0° |
| C14 | C15 | O5 | 121.8° | 120.0° |
| C15 | C14 | C16 | 112.0° | 109.5° |
| C15 | C14 | H2 | 109.7° | 109.5° |
| C15 | O5 | H1 | 109.5° | 117.0° |
| C21 | C22 | C17 | 119.9° | 120.0° |
| C22 | C21 | C20 | 119.7° | 120.0° |
| C21 | C22 | H5 | 120.1° | 120.0° |
| C22 | C21 | H6 | 120.2° | 120.0° |
| C22 | C17 | C16 | 119.8° | 120.0° |
| C22 | C17 | C18 | 120.0° | 120.0° |
| C17 | C22 | H5 | 120.0° | 120.0° |
| C14 | C16 | C17 | 112.5° | 109.5° |
| C16 | C14 | H2 | 109.8° | 109.4° |
| C14 | C16 | H3 | 108.7° | 109.5° |
| C14 | C16 | H4 | 108.7° | 109.4° |
| C16 | C17 | C18 | 120.2° | 120.0° |
| C17 | C16 | H3 | 108.7° | 109.5° |
| C17 | C16 | H4 | 108.7° | 109.5° |
| C21 | C20 | C19 | 120.5° | 120.0° |
| C20 | C21 | H6 | 120.2° | 120.0° |
| C21 | C20 | H7 | 119.8° | 120.0° |
| C17 | C18 | C19 | 119.6° | 120.1° |
| C17 | C18 | H9 | 120.2° | 120.0° |
| C20 | C19 | C18 | 120.4° | 120.0° |
| C19 | C20 | H7 | 119.8° | 119.9° |
| C20 | C19 | H8 | 119.8° | 120.0° |
| C18 | C19 | H8 | 119.8° | 120.0° |
| C19 | C18 | H9 | 120.2° | 120.0° |
| H3 | C16 | H4 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 110.6° |
| H14 | C10 | H15 | 109.5° | 110.9° |
| H16 | C9 | H17 | 109.4° | 110.4° |
| H18 | C7 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C6 | C5 | H20 | 180.0° | 180.0° |
| C6 | C1 | C2 | H21 | 180.0° | 180.0° |
| C1 | C6 | C5 | C7 | 179.4° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.3° |
| C6 | C1 | C2 | C3 | 0.7° | 0.2° |
| C6 | C1 | C2 | H24 | 179.4° | 180.0° |
| C5 | C6 | C1 | C2 | 0.2° | 0.1° |
| C6 | C5 | C7 | C4 | 179.3° | 179.7° |
| C6 | C5 | C7 | O1 | 45.2° | 89.7° |
| C6 | C5 | C4 | C3 | 0.5° | 0.3° |
| C6 | C5 | C7 | H18 | 75.4° | 150.3° |
| C6 | C5 | C7 | H19 | 165.8° | 30.3° |
| C5 | C6 | C1 | H21 | 179.8° | 179.9° |
| C6 | C5 | C4 | H22 | 179.5° | 179.7° |
| C1 | C2 | C3 | H24 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 1.0° | 0.2° |
| C2 | C1 | C6 | H20 | 179.8° | 180.0° |
| C1 | C2 | C3 | H23 | 179.0° | 179.8° |
| C5 | C7 | O1 | H18 | 120.6° | 120.0° |
| C5 | C7 | O1 | H19 | 120.6° | 120.0° |
| C5 | C7 | O1 | C8 | 82.0° | 180.0° |
| C7 | C5 | C4 | C3 | 179.8° | 180.0° |
| C5 | C7 | H18 | H19 | 118.2° | 120.0° |
| C7 | C5 | C6 | H20 | 0.5° | 0.0° |
| C7 | C5 | C4 | H22 | 0.2° | 0.0° |
| O1 | C7 | C5 | C4 | 135.5° | 90.0° |
| C7 | O1 | C8 | N1 | 173.7° | 180.0° |
| C7 | O1 | C8 | O2 | 6.8° | 0.0° |
| O1 | C7 | H18 | H19 | 118.2° | 120.0° |
| C5 | C4 | C3 | C2 | 0.9° | 0.1° |
| C5 | C4 | C3 | H22 | 180.0° | 180.0° |
| C4 | C5 | C7 | H18 | 104.0° | 30.0° |
| C4 | C5 | C7 | H19 | 14.9° | 150.0° |
| C4 | C5 | C6 | H20 | 179.9° | 179.7° |
| C5 | C4 | C3 | H23 | 179.1° | 180.0° |
| O1 | C8 | N1 | C9 | 10.4° | 0.0° |
| O1 | C8 | N1 | O2 | 179.5° | 179.9° |
| O1 | C8 | N1 | C12 | 166.6° | 179.9° |
| C8 | O1 | C7 | H18 | 157.5° | 60.0° |
| C8 | O1 | C7 | H19 | 38.6° | 60.0° |
| C2 | C3 | C4 | H23 | 180.0° | 180.0° |
| C3 | C2 | C1 | H21 | 179.3° | 179.8° |
| C2 | C3 | C4 | H22 | 179.1° | 180.0° |
| C10 | C9 | N1 | H16 | 119.4° | 118.9° |
| C10 | C9 | N1 | H17 | 119.4° | 118.8° |
| C9 | C10 | C11 | H14 | 119.4° | 118.1° |
| C9 | C10 | C11 | H15 | 119.4° | 118.1° |
| C10 | C9 | N1 | C8 | 171.0° | 155.9° |
| C10 | C9 | N1 | C12 | 6.3° | 24.2° |
| C9 | C10 | C11 | C12 | 24.6° | 35.5° |
| C9 | C10 | C11 | H12 | 94.9° | 82.9° |
| C9 | C10 | C11 | H13 | 144.1° | 153.9° |
| C9 | C10 | H14 | H15 | 121.7° | 123.9° |
| C10 | C9 | H16 | H17 | 121.9° | 122.3° |
| N1 | C9 | C10 | C11 | 11.5° | 37.1° |
| C9 | N1 | C8 | C12 | 177.0° | 179.8° |
| C9 | N1 | C8 | O2 | 170.1° | 180.0° |
| C9 | N1 | C12 | C11 | 21.1° | 1.2° |
| C9 | N1 | C12 | C13 | 96.8° | 118.3° |
| C9 | N1 | C12 | H11 | 137.0° | 120.7° |
| N1 | C9 | C10 | H14 | 130.9° | 155.2° |
| N1 | C9 | C10 | H15 | 107.9° | 81.0° |
| N1 | C9 | H16 | H17 | 121.9° | 122.2° |
| C4 | C3 | C2 | H24 | 179.0° | 180.0° |
| C10 | C11 | C12 | N1 | 27.3° | 22.1° |
| C10 | C11 | C12 | H12 | 119.5° | 118.4° |
| C10 | C11 | C12 | H13 | 119.5° | 118.5° |
| C10 | C11 | C12 | C13 | 97.6° | 141.6° |
| C10 | C11 | C12 | H11 | 143.7° | 97.4° |
| C10 | C11 | H12 | H13 | 121.5° | 123.3° |
| C11 | C10 | H14 | H15 | 121.7° | 123.9° |
| C11 | C10 | C9 | H16 | 130.9° | 81.8° |
| C11 | C10 | C9 | H17 | 107.8° | 155.8° |
| C8 | N1 | C12 | C11 | 156.2° | 179.0° |
| C8 | N1 | C12 | C13 | 85.8° | 61.5° |
| C8 | N1 | C12 | H11 | 40.3° | 59.5° |
| C8 | N1 | C9 | H16 | 69.6° | 85.2° |
| C8 | N1 | C9 | H17 | 51.6° | 37.1° |
| O2 | C8 | N1 | C12 | 12.9° | 0.2° |
| N1 | C12 | C11 | C13 | 125.0° | 119.5° |
| N1 | C12 | C11 | H11 | 116.4° | 119.5° |
| N1 | C12 | C13 | H11 | 126.4° | 121.0° |
| N1 | C12 | C13 | N2 | 6.2° | 161.7° |
| N1 | C12 | C13 | O3 | 171.5° | 18.3° |
| N1 | C12 | C11 | H12 | 92.1° | 96.3° |
| N1 | C12 | C11 | H13 | 146.9° | 140.6° |
| C12 | N1 | C9 | H16 | 113.0° | 94.6° |
| C12 | N1 | C9 | H17 | 125.7° | 143.1° |
| C11 | C12 | C13 | H11 | 118.6° | 121.0° |
| C11 | C12 | C13 | N2 | 108.7° | 80.3° |
| C11 | C12 | C13 | O3 | 73.6° | 99.7° |
| C12 | C11 | H12 | H13 | 121.4° | 123.1° |
| C12 | C11 | C10 | H14 | 144.0° | 153.6° |
| C12 | C11 | C10 | H15 | 94.9° | 82.6° |
| O4 | C15 | C14 | N2 | 28.0° | 0.0° |
| O4 | C15 | C14 | O5 | 179.5° | 179.9° |
| O4 | C15 | C14 | C16 | 89.3° | 120.0° |
| O4 | C15 | O5 | H1 | 0.0° | 0.1° |
| O4 | C15 | C14 | H2 | 148.6° | 120.1° |
| C12 | C13 | N2 | O3 | 177.6° | 180.0° |
| C12 | C13 | N2 | C14 | 177.8° | 180.0° |
| C12 | C13 | N2 | H10 | 2.2° | 0.0° |
| C13 | C12 | C11 | H12 | 142.9° | 23.2° |
| C13 | C12 | C11 | H13 | 21.9° | 99.9° |
| C13 | N2 | C14 | H10 | 180.0° | 179.9° |
| C13 | N2 | C14 | C15 | 156.5° | 85.0° |
| C13 | N2 | C14 | C16 | 82.9° | 155.0° |
| C13 | N2 | C14 | H2 | 36.5° | 35.0° |
| N2 | C13 | C12 | H11 | 132.7° | 40.7° |
| C14 | N2 | C13 | O3 | 0.1° | 0.0° |
| N2 | C14 | C15 | C16 | 117.3° | 120.0° |
| N2 | C14 | C15 | H2 | 120.6° | 120.1° |
| N2 | C14 | C15 | O5 | 151.5° | 179.9° |
| N2 | C14 | C16 | H2 | 120.0° | 120.0° |
| N2 | C14 | C16 | C17 | 173.6° | 65.0° |
| N2 | C14 | C16 | H3 | 65.9° | 55.0° |
| N2 | C14 | C16 | H4 | 53.2° | 175.0° |
| O3 | C13 | N2 | H10 | 179.8° | 180.0° |
| O3 | C13 | C12 | H11 | 45.1° | 139.3° |
| C15 | C14 | C16 | H2 | 122.1° | 120.0° |
| C15 | C14 | C16 | C17 | 55.7° | 175.0° |
| C14 | C15 | O5 | H1 | 179.5° | 180.0° |
| C15 | C14 | C16 | H3 | 176.2° | 65.0° |
| C15 | C14 | C16 | H4 | 64.8° | 55.0° |
| C15 | C14 | N2 | H10 | 23.4° | 95.0° |
| O5 | C15 | C14 | C16 | 91.2° | 60.0° |
| O5 | C15 | C14 | H2 | 30.9° | 60.0° |
| C21 | C22 | C17 | H5 | 180.0° | 180.0° |
| C21 | C22 | C17 | C16 | 178.7° | 180.0° |
| C22 | C21 | C20 | H6 | 180.0° | 179.9° |
| C21 | C22 | C17 | C18 | 0.4° | 0.3° |
| C22 | C21 | C20 | C19 | 0.6° | 0.1° |
| C22 | C21 | C20 | H7 | 179.3° | 180.0° |
| C22 | C17 | C16 | C14 | 106.9° | 89.7° |
| C22 | C17 | C16 | C18 | 179.0° | 179.7° |
| C17 | C22 | C21 | C20 | 0.2° | 0.0° |
| C22 | C17 | C18 | C19 | 1.0° | 0.5° |
| C22 | C17 | C16 | H3 | 132.6° | 150.3° |
| C22 | C17 | C16 | H4 | 13.5° | 30.3° |
| C17 | C22 | C21 | H6 | 179.8° | 179.9° |
| C22 | C17 | C18 | H9 | 179.0° | 179.7° |
| C14 | C16 | C17 | H3 | 120.4° | 120.0° |
| C14 | C16 | C17 | H4 | 120.5° | 120.0° |
| C14 | C16 | C17 | C18 | 74.0° | 90.0° |
| C14 | C16 | H3 | H4 | 118.6° | 120.0° |
| C16 | C14 | N2 | H10 | 97.1° | 25.0° |
| C16 | C17 | C18 | C19 | 178.0° | 179.8° |
| C17 | C16 | C14 | H2 | 66.4° | 55.0° |
| C17 | C16 | H3 | H4 | 118.6° | 120.0° |
| C16 | C17 | C22 | H5 | 1.3° | 0.1° |
| C16 | C17 | C18 | H9 | 2.0° | 0.0° |
| C21 | C20 | C19 | H7 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 1.3° | 0.1° |
| C20 | C21 | C22 | H5 | 179.8° | 180.0° |
| C21 | C20 | C19 | H8 | 178.7° | 180.0° |
| C17 | C18 | C19 | C20 | 1.5° | 0.4° |
| C17 | C18 | C19 | H9 | 180.0° | 179.8° |
| C18 | C17 | C16 | H3 | 46.4° | 30.0° |
| C18 | C17 | C16 | H4 | 165.5° | 150.0° |
| C18 | C17 | C22 | H5 | 179.6° | 179.8° |
| C17 | C18 | C19 | H8 | 178.5° | 179.7° |
| C20 | C19 | C18 | H8 | 180.0° | 179.9° |
| C19 | C20 | C21 | H6 | 179.4° | 180.0° |
| C20 | C19 | C18 | H9 | 178.6° | 179.8° |
| C18 | C19 | C20 | H7 | 178.7° | 179.8° |
| H2 | C14 | C16 | H3 | 54.0° | 175.0° |
| H2 | C14 | C16 | H4 | 173.1° | 65.0° |
| H2 | C14 | N2 | H10 | 143.5° | 145.0° |
| H5 | C22 | C21 | H6 | 0.2° | 0.0° |
| H6 | C21 | C20 | H7 | 0.6° | 0.1° |
| H7 | C20 | C19 | H8 | 1.3° | 0.1° |
| H8 | C19 | C18 | H9 | 1.4° | 0.1° |
| H11 | C12 | C11 | H12 | 24.2° | 144.2° |
| H11 | C12 | C11 | H13 | 96.8° | 21.1° |
| H12 | C11 | C10 | H14 | 24.5° | 35.2° |
| H12 | C11 | C10 | H15 | 145.7° | 159.0° |
| H13 | C11 | C10 | H14 | 96.5° | 88.0° |
| H13 | C11 | C10 | H15 | 24.6° | 35.8° |
| H14 | C10 | C9 | H16 | 109.7° | 36.2° |
| H14 | C10 | C9 | H17 | 11.6° | 86.1° |
| H15 | C10 | C9 | H16 | 11.5° | 160.1° |
| H15 | C10 | C9 | H17 | 132.7° | 37.8° |
| H20 | C6 | C1 | H21 | 0.2° | 0.0° |
| H21 | C1 | C2 | H24 | 0.6° | 0.0° |
| H22 | C4 | C3 | H23 | 0.9° | 0.0° |
| H23 | C3 | C2 | H24 | 1.0° | 0.1° |
