ZNC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C | sing | 1.53Å | 1.53Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| C6 | N | sing | 1.47Å | 1.50Å | |
| C6 | C5 | sing | 1.50Å | 1.50Å | |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| N | C2 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.32Å | 1.34Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.50Å | 1.50Å | |
| C4 | C7 | sing | 1.48Å | 1.48Å | |
| C13 | C7 | sing | 1.47Å | 1.45Å | Aromatic |
| C13 | C9 | doub | 1.41Å | 1.41Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C9 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
| C9 | N1 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C5 | H20 | sing | 1.08Å | 1.08Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.08Å | 1.08Å | |
| N1 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C15 | 120.8° | 120.0° |
| C20 | C19 | C18 | 120.2° | 120.0° |
| C20 | C19 | H14 | 119.9° | 120.0° |
| C19 | C20 | H17 | 119.6° | 120.0° |
| C20 | C15 | C14 | 120.8° | 120.0° |
| C20 | C15 | C16 | 118.3° | 120.0° |
| C15 | C20 | H17 | 119.6° | 120.0° |
| C19 | C18 | C17 | 119.7° | 120.0° |
| C19 | C18 | H13 | 120.1° | 120.0° |
| C18 | C19 | H14 | 119.9° | 120.0° |
| C15 | C14 | C | 113.5° | 109.5° |
| C14 | C15 | C16 | 120.9° | 120.0° |
| C15 | C14 | H9 | 108.4° | 109.5° |
| C15 | C14 | H10 | 108.5° | 109.5° |
| C14 | C | C1 | 114.9° | 109.5° |
| C14 | C | H2 | 108.1° | 109.4° |
| C14 | C | H3 | 108.1° | 109.5° |
| C | C14 | H9 | 108.5° | 109.5° |
| C | C14 | H10 | 108.4° | 109.4° |
| C15 | C16 | C17 | 120.8° | 120.0° |
| C15 | C16 | H11 | 119.6° | 120.0° |
| C | C1 | N | 113.0° | 109.5° |
| C1 | C | H2 | 108.1° | 109.4° |
| C1 | C | H3 | 108.1° | 109.5° |
| C | C1 | H4 | 108.6° | 109.5° |
| C | C1 | H5 | 108.5° | 109.5° |
| C1 | N | C6 | 114.3° | 111.0° |
| C1 | N | C2 | 111.0° | 111.0° |
| N | C1 | H4 | 108.6° | 109.5° |
| N | C1 | H5 | 108.6° | 109.5° |
| N | C6 | C5 | 111.6° | 110.2° |
| C6 | N | C2 | 109.7° | 110.2° |
| N | C6 | H21 | 108.9° | 109.3° |
| N | C6 | H22 | 109.0° | 109.3° |
| C6 | C5 | C4 | 123.2° | 123.0° |
| C6 | C5 | H20 | 118.4° | 118.5° |
| C5 | C6 | H21 | 108.9° | 109.4° |
| C5 | C6 | H22 | 108.9° | 109.4° |
| C18 | C17 | C16 | 120.2° | 120.0° |
| C18 | C17 | H12 | 119.9° | 120.0° |
| C17 | C18 | H13 | 120.2° | 119.9° |
| N | C2 | C3 | 111.0° | 108.5° |
| N | C2 | H15 | 109.1° | 109.6° |
| N | C2 | H16 | 109.1° | 109.6° |
| C17 | C16 | H11 | 119.6° | 120.0° |
| C16 | C17 | H12 | 119.9° | 120.0° |
| C5 | C4 | C3 | 121.7° | 122.7° |
| C5 | C4 | C7 | 123.6° | 118.6° |
| C4 | C5 | H20 | 118.4° | 118.5° |
| C2 | C3 | C4 | 110.6° | 109.7° |
| C3 | C2 | H15 | 109.1° | 109.6° |
| C3 | C2 | H16 | 109.1° | 109.6° |
| C2 | C3 | H18 | 109.2° | 109.4° |
| C2 | C3 | H19 | 109.2° | 109.4° |
| C11 | C12 | C13 | 118.5° | 118.0° |
| C12 | C11 | C10 | 119.4° | 119.4° |
| C12 | C11 | H7 | 120.3° | 120.3° |
| C11 | C12 | H8 | 120.7° | 121.0° |
| C12 | C13 | C7 | 137.0° | 134.2° |
| C12 | C13 | C9 | 116.9° | 119.6° |
| C13 | C12 | H8 | 120.7° | 121.0° |
| C11 | C10 | N2 | 124.1° | 121.5° |
| C11 | C10 | H6 | 117.9° | 119.2° |
| C10 | C11 | H7 | 120.3° | 120.3° |
| C3 | C4 | C7 | 114.7° | 118.7° |
| C4 | C3 | H18 | 109.2° | 109.4° |
| C4 | C3 | H19 | 109.2° | 109.4° |
| C4 | C7 | C13 | 129.4° | 126.8° |
| C4 | C7 | C8 | 124.3° | 126.8° |
| C7 | C13 | C9 | 106.2° | 106.2° |
| C13 | C7 | C8 | 106.3° | 106.5° |
| C13 | C9 | N2 | 126.1° | 119.8° |
| C13 | C9 | N1 | 108.6° | 107.3° |
| C7 | C8 | N1 | 110.2° | 109.7° |
| C7 | C8 | H23 | 124.9° | 125.1° |
| C10 | N2 | C9 | 115.0° | 121.7° |
| N2 | C10 | H6 | 117.9° | 119.3° |
| N2 | C9 | N1 | 125.3° | 133.0° |
| C9 | N1 | C8 | 108.8° | 110.3° |
| C9 | N1 | H24 | 125.6° | 124.8° |
| N1 | C8 | H23 | 124.9° | 125.2° |
| C8 | N1 | H24 | 125.6° | 124.8° |
| H2 | C | H3 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.5° | 109.4° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H15 | C2 | H16 | 109.4° | 109.8° |
| H18 | C3 | H19 | 109.5° | 109.4° |
| H21 | C6 | H22 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C15 | H17 | 180.0° | 179.5° |
| C20 | C19 | C18 | H14 | 180.0° | 179.7° |
| C19 | C20 | C15 | C14 | 178.6° | 179.8° |
| C19 | C20 | C15 | C16 | 0.5° | 0.5° |
| C20 | C19 | C18 | C17 | 0.1° | 0.3° |
| C20 | C19 | C18 | H13 | 179.9° | 179.8° |
| C15 | C20 | C19 | C18 | 0.2° | 0.5° |
| C20 | C15 | C14 | C16 | 179.1° | 179.7° |
| C20 | C15 | C14 | C | 133.2° | 90.3° |
| C20 | C15 | C16 | C17 | 0.4° | 0.3° |
| C20 | C15 | C14 | H9 | 12.6° | 149.7° |
| C20 | C15 | C14 | H10 | 106.2° | 29.7° |
| C20 | C15 | C16 | H11 | 179.6° | 179.7° |
| C15 | C20 | C19 | H14 | 179.8° | 179.7° |
| C19 | C18 | C17 | H13 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.2° | 0.0° |
| C19 | C18 | C17 | H12 | 179.8° | 179.9° |
| C18 | C19 | C20 | H17 | 179.8° | 179.9° |
| C15 | C14 | C | H9 | 120.6° | 120.0° |
| C15 | C14 | C | H10 | 120.6° | 120.0° |
| C15 | C14 | C | C1 | 175.9° | 180.0° |
| C14 | C15 | C16 | C17 | 178.7° | 180.0° |
| C15 | C14 | C | H2 | 63.3° | 60.1° |
| C15 | C14 | C | H3 | 55.1° | 60.0° |
| C15 | C14 | H9 | H10 | 118.2° | 120.1° |
| C14 | C15 | C16 | H11 | 1.3° | 0.0° |
| C14 | C15 | C20 | H17 | 1.4° | 0.3° |
| C | C14 | C15 | C16 | 45.9° | 90.0° |
| C14 | C | C1 | H2 | 120.8° | 119.9° |
| C14 | C | C1 | H3 | 120.8° | 120.0° |
| C14 | C | C1 | N | 173.3° | 180.0° |
| C14 | C | H2 | H3 | 117.5° | 120.0° |
| C14 | C | C1 | H4 | 66.1° | 60.0° |
| C14 | C | C1 | H5 | 52.8° | 60.0° |
| C | C14 | H9 | H10 | 118.1° | 119.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H11 | 180.0° | 180.0° |
| C16 | C15 | C14 | H9 | 166.5° | 30.0° |
| C16 | C15 | C14 | H10 | 74.7° | 150.0° |
| C15 | C16 | C17 | H12 | 179.9° | 179.9° |
| C16 | C15 | C20 | H17 | 179.5° | 179.9° |
| C | C1 | N | H4 | 120.5° | 120.0° |
| C | C1 | N | H5 | 120.5° | 120.0° |
| C | C1 | N | C6 | 155.3° | 67.0° |
| C | C1 | N | C2 | 80.1° | 170.0° |
| C1 | C | H2 | H3 | 117.5° | 120.0° |
| C | C1 | H4 | H5 | 118.3° | 120.0° |
| C1 | C | C14 | H9 | 55.3° | 60.0° |
| C1 | C | C14 | H10 | 63.5° | 60.0° |
| C1 | N | C6 | C2 | 125.3° | 123.4° |
| C1 | N | C6 | C5 | 173.3° | 174.7° |
| C1 | N | C2 | C3 | 166.4° | 167.2° |
| N | C1 | C | H2 | 52.5° | 60.0° |
| N | C1 | C | H3 | 65.9° | 60.0° |
| N | C1 | H4 | H5 | 118.4° | 120.0° |
| C1 | N | C2 | H15 | 73.3° | 73.0° |
| C1 | N | C2 | H16 | 46.2° | 47.5° |
| C1 | N | C6 | H21 | 66.4° | 65.1° |
| C1 | N | C6 | H22 | 53.0° | 54.3° |
| N | C6 | C5 | H21 | 120.3° | 120.2° |
| N | C6 | C5 | H22 | 120.3° | 120.3° |
| N | C6 | C5 | C4 | 15.4° | 17.1° |
| C6 | N | C2 | C3 | 66.4° | 69.3° |
| C6 | N | C1 | H4 | 34.8° | 173.0° |
| C6 | N | C1 | H5 | 84.2° | 53.0° |
| C6 | N | C2 | H15 | 53.8° | 50.4° |
| C6 | N | C2 | H16 | 173.4° | 170.9° |
| N | C6 | C5 | H20 | 164.6° | 162.8° |
| N | C6 | H21 | H22 | 119.1° | 119.5° |
| C5 | C6 | N | C2 | 48.0° | 51.2° |
| C6 | C5 | C4 | H20 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.8° | 0.3° |
| C6 | C5 | C4 | C7 | 178.0° | 179.6° |
| C5 | C6 | H21 | H22 | 119.0° | 119.7° |
| C18 | C17 | C16 | H12 | 180.0° | 179.9° |
| C18 | C17 | C16 | H11 | 179.9° | 180.0° |
| C17 | C18 | C19 | H14 | 179.9° | 180.0° |
| N | C2 | C3 | H15 | 120.3° | 119.7° |
| N | C2 | C3 | H16 | 120.2° | 119.7° |
| N | C2 | C3 | C4 | 48.5° | 49.2° |
| C2 | N | C1 | H4 | 159.4° | 50.0° |
| C2 | N | C1 | H5 | 40.4° | 70.0° |
| N | C2 | H15 | H16 | 119.3° | 120.5° |
| N | C2 | C3 | H18 | 168.7° | 169.3° |
| N | C2 | C3 | H19 | 71.7° | 70.8° |
| C2 | N | C6 | H21 | 168.3° | 171.5° |
| C2 | N | C6 | H22 | 72.3° | 69.1° |
| C16 | C17 | C18 | H13 | 179.8° | 179.9° |
| C5 | C4 | C3 | C2 | 15.2° | 16.5° |
| C5 | C4 | C3 | C7 | 178.9° | 179.9° |
| C5 | C4 | C7 | C13 | 8.0° | 75.1° |
| C5 | C4 | C7 | C8 | 173.4° | 105.0° |
| C5 | C4 | C3 | H18 | 135.3° | 136.6° |
| C5 | C4 | C3 | H19 | 105.0° | 103.6° |
| C4 | C5 | C6 | H21 | 135.7° | 137.2° |
| C4 | C5 | C6 | H22 | 105.0° | 103.2° |
| C2 | C3 | C4 | H18 | 120.2° | 120.1° |
| C2 | C3 | C4 | H19 | 120.2° | 120.0° |
| C2 | C3 | C4 | C7 | 166.0° | 163.5° |
| C3 | C2 | H15 | H16 | 119.3° | 120.5° |
| C2 | C3 | H18 | H19 | 119.5° | 119.9° |
| C11 | C12 | C13 | H8 | 180.0° | 179.9° |
| C12 | C11 | C10 | H7 | 180.0° | 179.9° |
| C11 | C12 | C13 | C7 | 179.4° | 179.9° |
| C11 | C12 | C13 | C9 | 0.1° | 0.0° |
| C12 | C11 | C10 | N2 | 0.1° | 0.0° |
| C12 | C11 | C10 | H6 | 179.9° | 179.7° |
| C13 | C12 | C11 | C10 | 0.0° | 0.1° |
| C12 | C13 | C7 | C4 | 1.0° | 0.1° |
| C12 | C13 | C7 | C9 | 179.6° | 179.9° |
| C12 | C13 | C7 | C8 | 179.8° | 180.0° |
| C12 | C13 | C9 | N2 | 0.2° | 0.1° |
| C12 | C13 | C9 | N1 | 179.9° | 180.0° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C11 | C10 | N2 | H6 | 180.0° | 179.7° |
| C11 | C10 | N2 | C9 | 0.1° | 0.0° |
| C10 | C11 | C12 | H8 | 180.0° | 180.0° |
| C3 | C4 | C7 | C13 | 170.9° | 105.0° |
| C3 | C4 | C7 | C8 | 7.8° | 74.9° |
| C4 | C3 | C2 | H15 | 71.8° | 70.5° |
| C4 | C3 | C2 | H16 | 168.7° | 168.9° |
| C4 | C3 | H18 | H19 | 119.5° | 119.9° |
| C3 | C4 | C5 | H20 | 179.2° | 179.6° |
| C4 | C7 | C13 | C8 | 178.8° | 179.9° |
| C4 | C7 | C13 | C9 | 178.6° | 180.0° |
| C4 | C7 | C8 | N1 | 178.7° | 180.0° |
| C7 | C4 | C3 | H18 | 45.8° | 43.4° |
| C7 | C4 | C3 | H19 | 73.9° | 76.5° |
| C7 | C4 | C5 | H20 | 2.1° | 0.4° |
| C4 | C7 | C8 | H23 | 1.3° | 0.1° |
| C7 | C13 | C9 | N2 | 179.5° | 180.0° |
| C7 | C13 | C9 | N1 | 0.2° | 0.0° |
| C13 | C7 | C8 | N1 | 0.2° | 0.0° |
| C7 | C13 | C12 | H8 | 0.6° | 0.0° |
| C13 | C7 | C8 | H23 | 179.8° | 180.0° |
| C9 | C13 | C7 | C8 | 0.2° | 0.0° |
| C13 | C9 | N2 | C10 | 0.1° | 0.1° |
| C13 | C9 | N2 | N1 | 179.7° | 180.0° |
| C13 | C9 | N1 | C8 | 0.1° | 0.0° |
| C9 | C13 | C12 | H8 | 179.9° | 179.9° |
| C13 | C9 | N1 | H24 | 179.9° | 180.0° |
| C7 | C8 | N1 | C9 | 0.0° | 0.0° |
| C7 | C8 | N1 | H23 | 180.0° | 179.9° |
| C7 | C8 | N1 | H24 | 179.9° | 180.0° |
| C10 | N2 | C9 | N1 | 179.8° | 179.9° |
| N2 | C10 | C11 | H7 | 179.9° | 180.0° |
| N2 | C9 | N1 | C8 | 179.6° | 180.0° |
| C9 | N2 | C10 | H6 | 180.0° | 179.8° |
| N2 | C9 | N1 | H24 | 0.4° | 0.0° |
| C9 | N1 | C8 | H24 | 180.0° | 180.0° |
| C9 | N1 | C8 | H23 | 180.0° | 179.9° |
| H2 | C | C1 | H4 | 173.1° | 179.9° |
| H2 | C | C1 | H5 | 68.0° | 60.0° |
| H2 | C | C14 | H9 | 176.1° | 179.9° |
| H2 | C | C14 | H10 | 57.3° | 60.0° |
| H3 | C | C1 | H4 | 54.7° | 60.0° |
| H3 | C | C1 | H5 | 173.6° | 180.0° |
| H3 | C | C14 | H9 | 65.5° | 60.0° |
| H3 | C | C14 | H10 | 175.7° | 180.0° |
| H6 | C10 | C11 | H7 | 0.1° | 0.3° |
| H7 | C11 | C12 | H8 | 0.0° | 0.1° |
| H11 | C16 | C17 | H12 | 0.1° | 0.1° |
| H12 | C17 | C18 | H13 | 0.2° | 0.0° |
| H13 | C18 | C19 | H14 | 0.1° | 0.1° |
| H14 | C19 | C20 | H17 | 0.2° | 0.2° |
| H15 | C2 | C3 | H18 | 48.4° | 49.6° |
| H15 | C2 | C3 | H19 | 168.1° | 169.5° |
| H16 | C2 | C3 | H18 | 71.1° | 71.0° |
| H16 | C2 | C3 | H19 | 48.6° | 48.9° |
| H20 | C5 | C6 | H21 | 44.4° | 42.7° |
| H20 | C5 | C6 | H22 | 75.0° | 76.9° |
| H23 | C8 | N1 | H24 | 0.1° | 0.1° |
