H4Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.49Å | |
| C6 | C11 | doub | 1.40Å | 1.47Å | Aromatic |
| C17 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N1 | sing | 1.40Å | 1.43Å | |
| O2 | C15 | doub | 1.21Å | 1.22Å | |
| N1 | C15 | sing | 1.34Å | 1.37Å | |
| N1 | C12 | sing | 1.47Å | 1.47Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | sing | 1.54Å | 1.52Å | |
| C14 | C13 | sing | 1.55Å | 1.52Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 120.7° | 120.3° |
| C8 | C7 | C6 | 121.3° | 119.9° |
| C8 | C7 | H2 | 119.3° | 120.1° |
| C7 | C8 | H3 | 119.7° | 119.8° |
| C8 | C9 | C10 | 120.9° | 120.3° |
| C9 | C8 | H3 | 119.7° | 119.8° |
| C8 | C9 | H12 | 119.5° | 119.9° |
| C7 | C6 | C5 | 119.3° | 120.2° |
| C7 | C6 | C11 | 117.0° | 119.6° |
| C6 | C7 | H2 | 119.3° | 120.0° |
| C9 | C10 | C11 | 119.8° | 120.0° |
| C9 | C10 | H4 | 120.1° | 119.9° |
| C10 | C9 | H12 | 119.6° | 119.9° |
| C17 | C16 | C5 | 121.7° | 120.0° |
| C16 | C17 | C2 | 119.6° | 120.0° |
| C16 | C17 | H7 | 120.2° | 119.9° |
| C17 | C16 | H17 | 119.1° | 120.0° |
| C16 | C5 | C6 | 120.5° | 120.1° |
| C16 | C5 | C4 | 117.9° | 119.9° |
| C5 | C16 | H17 | 119.1° | 120.0° |
| C5 | C6 | C11 | 123.7° | 120.2° |
| C6 | C5 | C4 | 121.5° | 120.1° |
| C6 | C11 | C10 | 120.3° | 119.8° |
| C6 | C11 | N1 | 120.9° | 120.1° |
| C17 | C2 | O1 | 112.8° | 119.9° |
| C17 | C2 | C3 | 120.0° | 120.1° |
| C2 | C17 | H7 | 120.2° | 120.0° |
| C5 | C4 | C3 | 121.3° | 119.9° |
| C5 | C4 | H1 | 119.4° | 120.1° |
| O1 | C2 | C3 | 127.0° | 120.0° |
| C2 | O1 | C1 | 119.3° | 117.0° |
| C2 | C3 | C4 | 119.4° | 120.1° |
| C2 | C3 | H11 | 120.3° | 119.9° |
| C3 | C4 | H1 | 119.4° | 120.0° |
| C4 | C3 | H11 | 120.3° | 120.0° |
| O1 | C1 | H8 | 109.5° | 109.4° |
| O1 | C1 | H9 | 109.5° | 109.5° |
| O1 | C1 | H10 | 109.5° | 109.5° |
| C10 | C11 | N1 | 118.8° | 120.1° |
| C11 | C10 | H4 | 120.1° | 120.0° |
| C11 | N1 | C15 | 124.3° | 124.3° |
| C11 | N1 | C12 | 122.6° | 124.3° |
| O2 | C15 | N1 | 124.8° | 124.9° |
| O2 | C15 | C14 | 127.2° | 125.0° |
| C15 | N1 | C12 | 113.0° | 111.3° |
| N1 | C15 | C14 | 108.0° | 110.1° |
| N1 | C12 | C13 | 104.9° | 105.5° |
| N1 | C12 | H13 | 110.6° | 110.2° |
| N1 | C12 | H14 | 110.6° | 110.2° |
| C15 | C14 | C13 | 105.7° | 104.2° |
| C15 | C14 | H15 | 110.4° | 110.5° |
| C15 | C14 | H16 | 110.4° | 110.5° |
| C12 | C13 | C14 | 105.3° | 101.7° |
| C12 | C13 | H5 | 110.5° | 111.0° |
| C12 | C13 | H6 | 110.5° | 111.0° |
| C13 | C12 | H13 | 110.6° | 110.3° |
| C13 | C12 | H14 | 110.6° | 110.3° |
| C14 | C13 | H5 | 110.5° | 110.9° |
| C14 | C13 | H6 | 110.5° | 111.0° |
| C13 | C14 | H15 | 110.4° | 110.5° |
| C13 | C14 | H16 | 110.4° | 110.5° |
| H5 | C13 | H6 | 109.5° | 110.9° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H10 | 109.5° | 109.4° |
| H9 | C1 | H10 | 109.4° | 109.5° |
| H13 | C12 | H14 | 109.5° | 110.3° |
| H15 | C14 | H16 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C8 | C7 | C6 | H2 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 2.0° | 0.1° |
| C8 | C7 | C6 | C5 | 179.4° | 180.0° |
| C8 | C7 | C6 | C11 | 0.3° | 0.3° |
| C7 | C8 | C9 | H12 | 178.0° | 180.0° |
| C9 | C8 | C7 | C6 | 1.3° | 0.0° |
| C8 | C9 | C10 | H12 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 1.0° | 0.2° |
| C9 | C8 | C7 | H2 | 178.7° | 180.0° |
| C8 | C9 | C10 | H4 | 179.0° | 179.8° |
| C7 | C6 | C5 | C16 | 49.3° | 124.0° |
| C7 | C6 | C5 | C11 | 179.0° | 179.7° |
| C7 | C6 | C5 | C4 | 130.9° | 56.1° |
| C7 | C6 | C11 | C10 | 1.3° | 0.6° |
| C7 | C6 | C11 | N1 | 179.7° | 179.7° |
| C6 | C7 | C8 | H3 | 178.7° | 180.0° |
| C9 | C10 | C11 | C6 | 0.7° | 0.5° |
| C9 | C10 | C11 | H4 | 180.0° | 179.6° |
| C9 | C10 | C11 | N1 | 179.7° | 179.7° |
| C10 | C9 | C8 | H3 | 178.0° | 180.0° |
| C17 | C16 | C5 | H17 | 180.0° | 179.9° |
| C17 | C16 | C5 | C6 | 179.4° | 180.0° |
| C16 | C17 | C2 | H7 | 180.0° | 179.6° |
| C17 | C16 | C5 | C4 | 0.7° | 0.1° |
| C16 | C17 | C2 | O1 | 177.5° | 179.6° |
| C16 | C17 | C2 | C3 | 0.9° | 0.4° |
| C16 | C5 | C6 | C4 | 179.8° | 179.9° |
| C16 | C5 | C6 | C11 | 129.8° | 56.3° |
| C5 | C16 | C17 | C2 | 0.2° | 0.1° |
| C16 | C5 | C4 | C3 | 0.2° | 0.0° |
| C16 | C5 | C4 | H1 | 179.8° | 179.7° |
| C5 | C16 | C17 | H7 | 179.8° | 179.8° |
| C6 | C5 | C4 | C3 | 180.0° | 180.0° |
| C5 | C6 | C11 | C10 | 179.6° | 179.7° |
| C5 | C6 | C11 | N1 | 0.6° | 0.0° |
| C6 | C5 | C4 | H1 | 0.0° | 0.3° |
| C5 | C6 | C7 | H2 | 0.6° | 0.0° |
| C6 | C5 | C16 | H17 | 0.6° | 0.1° |
| C11 | C6 | C5 | C4 | 50.1° | 123.6° |
| C6 | C11 | C10 | N1 | 179.0° | 179.7° |
| C6 | C11 | N1 | C15 | 114.1° | 96.1° |
| C6 | C11 | N1 | C12 | 67.8° | 83.6° |
| C11 | C6 | C7 | H2 | 179.7° | 179.7° |
| C6 | C11 | C10 | H4 | 179.3° | 179.9° |
| C17 | C2 | O1 | C3 | 176.3° | 180.0° |
| C17 | C2 | C3 | C4 | 1.5° | 0.5° |
| C17 | C2 | O1 | C1 | 164.7° | 179.9° |
| C17 | C2 | C3 | H11 | 178.5° | 179.5° |
| C2 | C17 | C16 | H17 | 179.8° | 180.0° |
| C5 | C4 | C3 | C2 | 0.9° | 0.2° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | H11 | 179.1° | 179.8° |
| C4 | C5 | C16 | H17 | 179.2° | 179.8° |
| O1 | C2 | C3 | C4 | 177.5° | 179.6° |
| O1 | C2 | C17 | H7 | 2.5° | 0.0° |
| C2 | O1 | C1 | H8 | 180.0° | 60.1° |
| C2 | O1 | C1 | H9 | 60.0° | 60.0° |
| C2 | O1 | C1 | H10 | 60.0° | 180.0° |
| O1 | C2 | C3 | H11 | 2.5° | 0.4° |
| C2 | C3 | C4 | H11 | 180.0° | 180.0° |
| C3 | C2 | O1 | C1 | 19.1° | 0.1° |
| C2 | C3 | C4 | H1 | 179.1° | 180.0° |
| C3 | C2 | C17 | H7 | 179.1° | 179.9° |
| O1 | C1 | H8 | H9 | 120.0° | 120.0° |
| O1 | C1 | H8 | H10 | 120.0° | 120.0° |
| O1 | C1 | H9 | H10 | 120.0° | 120.0° |
| C10 | C11 | N1 | C15 | 64.9° | 83.6° |
| C10 | C11 | N1 | C12 | 113.2° | 96.7° |
| C11 | C10 | C9 | H12 | 179.0° | 179.7° |
| C11 | N1 | C15 | O2 | 5.1° | 0.7° |
| C11 | N1 | C15 | C12 | 178.2° | 179.7° |
| C11 | N1 | C15 | C14 | 174.2° | 179.3° |
| C11 | N1 | C12 | C13 | 174.4° | 162.7° |
| N1 | C11 | C10 | H4 | 0.3° | 0.2° |
| C11 | N1 | C12 | H13 | 66.3° | 78.3° |
| C11 | N1 | C12 | H14 | 55.1° | 43.7° |
| O2 | C15 | N1 | C14 | 179.3° | 180.0° |
| O2 | C15 | N1 | C12 | 176.7° | 179.6° |
| O2 | C15 | C14 | C13 | 167.0° | 163.7° |
| O2 | C15 | C14 | H15 | 47.6° | 77.5° |
| O2 | C15 | C14 | H16 | 73.6° | 45.1° |
| C15 | N1 | C12 | C13 | 7.4° | 17.0° |
| N1 | C15 | C14 | C13 | 13.7° | 16.3° |
| C15 | N1 | C12 | H13 | 111.9° | 102.0° |
| C15 | N1 | C12 | H14 | 126.6° | 136.0° |
| N1 | C15 | C14 | H15 | 133.1° | 102.4° |
| N1 | C15 | C14 | H16 | 105.7° | 134.9° |
| C12 | N1 | C15 | C14 | 4.0° | 0.4° |
| N1 | C12 | C13 | H13 | 119.3° | 119.0° |
| N1 | C12 | C13 | H14 | 119.3° | 119.0° |
| N1 | C12 | C13 | C14 | 15.3° | 25.4° |
| N1 | C12 | C13 | H5 | 134.7° | 143.5° |
| N1 | C12 | C13 | H6 | 104.0° | 92.7° |
| N1 | C12 | H13 | H14 | 122.1° | 121.9° |
| C15 | C14 | C13 | C12 | 17.7° | 24.8° |
| C15 | C14 | C13 | H15 | 119.4° | 118.7° |
| C15 | C14 | C13 | H16 | 119.4° | 118.6° |
| C15 | C14 | C13 | H5 | 137.0° | 143.0° |
| C15 | C14 | C13 | H6 | 101.7° | 93.3° |
| C15 | C14 | H15 | H16 | 121.8° | 122.6° |
| C12 | C13 | C14 | H5 | 119.3° | 118.1° |
| C12 | C13 | C14 | H6 | 119.4° | 118.1° |
| C12 | C13 | H5 | H6 | 121.9° | 123.9° |
| C13 | C12 | H13 | H14 | 122.2° | 122.0° |
| C12 | C13 | C14 | H15 | 137.1° | 93.9° |
| C12 | C13 | C14 | H16 | 101.7° | 143.5° |
| C14 | C13 | H5 | H6 | 121.9° | 123.8° |
| C14 | C13 | C12 | H13 | 104.0° | 93.5° |
| C14 | C13 | C12 | H14 | 134.6° | 144.4° |
| C13 | C14 | H15 | H16 | 121.8° | 122.6° |
| H1 | C4 | C3 | H11 | 0.9° | 0.1° |
| H2 | C7 | C8 | H3 | 1.3° | 0.0° |
| H3 | C8 | C9 | H12 | 2.0° | 0.1° |
| H4 | C10 | C9 | H12 | 1.0° | 0.1° |
| H5 | C13 | C12 | H13 | 15.4° | 24.5° |
| H5 | C13 | C12 | H14 | 106.1° | 97.5° |
| H5 | C13 | C14 | H15 | 103.5° | 24.2° |
| H5 | C13 | C14 | H16 | 17.6° | 98.4° |
| H6 | C13 | C12 | H13 | 136.7° | 148.3° |
| H6 | C13 | C12 | H14 | 15.2° | 26.3° |
| H6 | C13 | C14 | H15 | 17.7° | 148.0° |
| H6 | C13 | C14 | H16 | 138.9° | 25.3° |
| H7 | C17 | C16 | H17 | 0.2° | 0.3° |
| H8 | C1 | H9 | H10 | 120.0° | 120.0° |
