92Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| C13 | C12 | sing | 1.56Å | 1.54Å | |
| C14 | C9 | sing | 1.56Å | 1.56Å | |
| C7 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C15 | sing | 1.57Å | 1.53Å | |
| C12 | C11 | sing | 1.56Å | 1.52Å | |
| C16 | C11 | sing | 1.53Å | 1.54Å | |
| C16 | N2 | sing | 1.47Å | 1.48Å | |
| C9 | C15 | sing | 1.57Å | 1.53Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.56Å | 1.57Å | |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| O1 | C10 | sing | 1.43Å | 1.41Å | |
| C18 | N2 | sing | 1.47Å | 1.49Å | |
| C8 | C3 | doub | 1.38Å | 1.43Å | Aromatic |
| C11 | C10 | sing | 1.55Å | 1.56Å | |
| N2 | C17 | sing | 1.47Å | 1.49Å | |
| C5 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 103.6° | 104.6° |
| C13 | C14 | C9 | 104.3° | 104.6° |
| C14 | C13 | H6 | 110.9° | 110.4° |
| C14 | C13 | H7 | 110.9° | 110.4° |
| C13 | C14 | H18 | 110.8° | 110.4° |
| C13 | C14 | H19 | 110.7° | 110.4° |
| C13 | C12 | C15 | 99.2° | 100.6° |
| C13 | C12 | C11 | 113.6° | 104.4° |
| C12 | C13 | H6 | 111.0° | 110.3° |
| C12 | C13 | H7 | 110.9° | 110.5° |
| C13 | C12 | H17 | 113.9° | 116.0° |
| C14 | C9 | C15 | 100.0° | 100.6° |
| C14 | C9 | C8 | 115.5° | 116.5° |
| C14 | C9 | C10 | 108.7° | 104.5° |
| C9 | C14 | H18 | 110.7° | 110.6° |
| C9 | C14 | H19 | 110.7° | 110.2° |
| C6 | C7 | C8 | 120.7° | 120.0° |
| C7 | C6 | C5 | 120.6° | 120.0° |
| C7 | C6 | H3 | 119.7° | 120.0° |
| C6 | C7 | H4 | 119.6° | 120.0° |
| C7 | C8 | C9 | 120.3° | 120.0° |
| C7 | C8 | C3 | 117.9° | 120.0° |
| C8 | C7 | H4 | 119.7° | 120.0° |
| C15 | C12 | C11 | 100.0° | 100.6° |
| C12 | C15 | C9 | 96.0° | 96.1° |
| C12 | C15 | H8 | 112.7° | 112.8° |
| C12 | C15 | H9 | 112.7° | 111.3° |
| C15 | C12 | H17 | 114.1° | 116.3° |
| C12 | C11 | C16 | 114.7° | 110.5° |
| C12 | C11 | C10 | 104.1° | 104.6° |
| C12 | C11 | H16 | 107.3° | 110.4° |
| C11 | C12 | H17 | 114.2° | 116.5° |
| C11 | C16 | N2 | 107.5° | 109.4° |
| C16 | C11 | C10 | 116.2° | 110.4° |
| C16 | C11 | H16 | 107.2° | 110.4° |
| C11 | C16 | H20 | 110.0° | 109.5° |
| C11 | C16 | H21 | 110.0° | 109.5° |
| C16 | N2 | C18 | 109.3° | 111.0° |
| C16 | N2 | C17 | 113.8° | 111.0° |
| N2 | C16 | H20 | 110.0° | 109.5° |
| N2 | C16 | H21 | 110.0° | 109.5° |
| C15 | C9 | C8 | 117.4° | 116.3° |
| C15 | C9 | C10 | 99.3° | 100.6° |
| C9 | C15 | H8 | 112.7° | 112.0° |
| C9 | C15 | H9 | 112.7° | 112.0° |
| C8 | C9 | C10 | 113.9° | 115.9° |
| C9 | C8 | C3 | 121.8° | 120.0° |
| C9 | C10 | O1 | 115.2° | 110.4° |
| C9 | C10 | C11 | 102.6° | 104.8° |
| C9 | C10 | H5 | 108.8° | 110.4° |
| C6 | C5 | C4 | 119.3° | 120.0° |
| C6 | C5 | H2 | 120.4° | 120.0° |
| C5 | C6 | H3 | 119.7° | 120.0° |
| O1 | C10 | C11 | 109.8° | 110.4° |
| O1 | C10 | H5 | 111.1° | 110.3° |
| C10 | O1 | H13 | 109.5° | 114.0° |
| C18 | N2 | C17 | 111.5° | 111.0° |
| N2 | C18 | H22 | 109.5° | 109.5° |
| N2 | C18 | H23 | 109.4° | 109.5° |
| N2 | C18 | H24 | 109.5° | 109.5° |
| C8 | C3 | C4 | 120.9° | 120.0° |
| C8 | C3 | H15 | 119.6° | 120.1° |
| C11 | C10 | H5 | 109.0° | 110.4° |
| C10 | C11 | H16 | 106.9° | 110.4° |
| N2 | C17 | H10 | 109.5° | 109.5° |
| N2 | C17 | H11 | 109.5° | 109.5° |
| N2 | C17 | H12 | 109.5° | 109.5° |
| C5 | C4 | C3 | 120.7° | 120.0° |
| C5 | C4 | H1 | 119.7° | 120.0° |
| C4 | C5 | H2 | 120.4° | 120.0° |
| C3 | C4 | H1 | 119.7° | 120.0° |
| C4 | C3 | H15 | 119.5° | 120.0° |
| H6 | C13 | H7 | 109.4° | 110.5° |
| H8 | C15 | H9 | 109.5° | 111.7° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H10 | C17 | H12 | 109.5° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 110.5° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.4° |
| H22 | C18 | H24 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H6 | 119.1° | 118.7° |
| C14 | C13 | C12 | H7 | 119.1° | 118.9° |
| C13 | C14 | C9 | H18 | 119.2° | 118.9° |
| C13 | C14 | C9 | H19 | 119.2° | 118.7° |
| C14 | C13 | C12 | C15 | 39.4° | 33.6° |
| C14 | C13 | C12 | C11 | 65.8° | 70.4° |
| C13 | C14 | C9 | C15 | 30.4° | 34.0° |
| C13 | C14 | C9 | C8 | 157.5° | 160.6° |
| C13 | C14 | C9 | C10 | 73.0° | 70.1° |
| C14 | C13 | H6 | H7 | 122.7° | 122.4° |
| C14 | C13 | C12 | H17 | 161.1° | 160.0° |
| C13 | C14 | H18 | H19 | 122.4° | 122.4° |
| C12 | C13 | C14 | C9 | 5.3° | 0.2° |
| C13 | C12 | C15 | C11 | 116.2° | 107.0° |
| C13 | C12 | C15 | H17 | 121.5° | 126.2° |
| C13 | C12 | C11 | H17 | 133.0° | 129.3° |
| C13 | C12 | C11 | C16 | 59.9° | 48.5° |
| C13 | C12 | C15 | C9 | 58.0° | 53.5° |
| C13 | C12 | C11 | C10 | 68.1° | 70.3° |
| C12 | C13 | H6 | H7 | 122.7° | 122.4° |
| C13 | C12 | C15 | H8 | 175.7° | 63.4° |
| C13 | C12 | C15 | H9 | 59.8° | 170.1° |
| C13 | C12 | C11 | H16 | 178.8° | 170.9° |
| C12 | C13 | C14 | H18 | 124.5° | 118.8° |
| C12 | C13 | C14 | H19 | 113.8° | 118.8° |
| C14 | C9 | C8 | C7 | 37.3° | 57.5° |
| C14 | C9 | C15 | C12 | 54.3° | 53.6° |
| C14 | C9 | C15 | C8 | 125.8° | 126.8° |
| C14 | C9 | C15 | C10 | 111.0° | 107.1° |
| C14 | C9 | C8 | C10 | 126.9° | 123.6° |
| C14 | C9 | C10 | O1 | 49.6° | 48.6° |
| C14 | C9 | C8 | C3 | 141.3° | 122.8° |
| C14 | C9 | C10 | C11 | 69.7° | 70.2° |
| C14 | C9 | C10 | H5 | 175.0° | 170.9° |
| C9 | C14 | C13 | H6 | 124.4° | 118.8° |
| C9 | C14 | C13 | H7 | 113.7° | 118.7° |
| C14 | C9 | C15 | H8 | 172.0° | 63.9° |
| C14 | C9 | C15 | H9 | 63.4° | 169.6° |
| C9 | C14 | H18 | H19 | 122.4° | 122.3° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 177.8° | 180.0° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | C3 | 0.8° | 0.3° |
| C7 | C6 | C5 | C4 | 0.5° | 0.1° |
| C7 | C6 | C5 | H2 | 179.5° | 180.0° |
| C7 | C8 | C9 | C15 | 154.9° | 61.0° |
| C7 | C8 | C9 | C3 | 178.6° | 179.7° |
| C7 | C8 | C9 | C10 | 89.7° | 178.9° |
| C8 | C7 | C6 | C5 | 0.0° | 0.0° |
| C7 | C8 | C3 | C4 | 1.1° | 0.6° |
| C8 | C7 | C6 | H3 | 180.0° | 180.0° |
| C7 | C8 | C3 | H15 | 178.9° | 179.9° |
| C15 | C12 | C11 | H17 | 122.3° | 126.7° |
| C15 | C12 | C11 | C16 | 164.6° | 152.5° |
| C12 | C15 | C9 | H8 | 117.7° | 117.6° |
| C12 | C15 | C9 | H9 | 117.7° | 116.0° |
| C12 | C15 | C9 | C8 | 179.9° | 179.6° |
| C12 | C15 | C9 | C10 | 56.7° | 53.5° |
| C15 | C12 | C11 | C10 | 36.6° | 33.7° |
| C15 | C12 | C13 | H6 | 158.5° | 85.1° |
| C15 | C12 | C13 | H7 | 79.6° | 152.5° |
| C12 | C15 | H8 | H9 | 126.3° | 126.3° |
| C15 | C12 | C11 | H16 | 76.4° | 85.1° |
| C12 | C11 | C16 | C10 | 121.6° | 115.3° |
| C12 | C11 | C16 | H16 | 119.0° | 122.4° |
| C12 | C11 | C16 | N2 | 173.0° | 63.0° |
| C11 | C12 | C15 | C9 | 58.2° | 53.5° |
| C12 | C11 | C10 | C9 | 1.2° | 0.0° |
| C12 | C11 | C10 | O1 | 121.7° | 118.9° |
| C12 | C11 | C10 | H16 | 113.4° | 118.8° |
| C12 | C11 | C10 | H5 | 116.5° | 118.8° |
| C11 | C12 | C13 | H6 | 53.2° | 170.9° |
| C11 | C12 | C13 | H7 | 175.1° | 48.5° |
| C11 | C12 | C15 | H8 | 59.5° | 170.5° |
| C11 | C12 | C15 | H9 | 175.9° | 63.1° |
| C12 | C11 | C16 | H20 | 67.3° | 57.0° |
| C12 | C11 | C16 | H21 | 53.3° | 177.0° |
| C11 | C16 | N2 | H20 | 119.7° | 120.0° |
| C11 | C16 | N2 | H21 | 119.7° | 120.0° |
| C16 | C11 | C10 | C9 | 128.3° | 118.9° |
| C16 | C11 | C10 | O1 | 5.3° | 0.0° |
| C11 | C16 | N2 | C18 | 154.4° | 72.5° |
| C16 | C11 | C10 | H16 | 119.6° | 122.3° |
| C11 | C16 | N2 | C17 | 80.1° | 163.6° |
| C16 | C11 | C10 | H5 | 116.5° | 122.3° |
| C16 | C11 | C12 | H17 | 73.1° | 80.8° |
| C11 | C16 | H20 | H21 | 120.9° | 120.0° |
| C16 | N2 | C18 | C17 | 126.8° | 123.9° |
| N2 | C16 | C11 | C10 | 65.4° | 178.3° |
| C16 | N2 | C17 | H10 | 180.0° | 60.0° |
| C16 | N2 | C17 | H11 | 60.0° | 180.0° |
| C16 | N2 | C17 | H12 | 60.0° | 60.0° |
| N2 | C16 | C11 | H16 | 54.0° | 59.5° |
| N2 | C16 | H20 | H21 | 120.9° | 120.0° |
| C16 | N2 | C18 | H22 | 180.0° | 171.7° |
| C16 | N2 | C18 | H23 | 60.0° | 51.7° |
| C16 | N2 | C18 | H24 | 60.0° | 68.4° |
| C15 | C9 | C8 | C10 | 115.4° | 118.0° |
| C15 | C9 | C10 | O1 | 153.5° | 152.7° |
| C15 | C9 | C8 | C3 | 23.7° | 118.7° |
| C15 | C9 | C10 | C11 | 34.3° | 33.8° |
| C15 | C9 | C10 | H5 | 81.0° | 85.0° |
| C9 | C15 | H8 | H9 | 126.3° | 126.6° |
| C9 | C15 | C12 | H17 | 179.5° | 179.7° |
| C15 | C9 | C14 | H18 | 88.7° | 84.9° |
| C15 | C9 | C14 | H19 | 149.6° | 152.7° |
| C8 | C9 | C10 | O1 | 80.8° | 81.0° |
| C8 | C9 | C10 | C11 | 159.9° | 160.1° |
| C9 | C8 | C3 | C4 | 177.5° | 179.7° |
| C9 | C8 | C7 | H4 | 2.2° | 0.0° |
| C8 | C9 | C10 | H5 | 44.6° | 41.3° |
| C8 | C9 | C15 | H8 | 62.2° | 62.9° |
| C8 | C9 | C15 | H9 | 62.3° | 63.6° |
| C9 | C8 | C3 | H15 | 2.5° | 0.2° |
| C8 | C9 | C14 | H18 | 38.3° | 41.7° |
| C8 | C9 | C14 | H19 | 83.4° | 80.7° |
| C9 | C10 | O1 | C11 | 115.1° | 115.4° |
| C9 | C10 | O1 | H5 | 124.3° | 122.3° |
| C10 | C9 | C8 | C3 | 91.7° | 0.8° |
| C9 | C10 | C11 | H5 | 115.2° | 118.9° |
| C10 | C9 | C15 | H8 | 61.0° | 171.1° |
| C10 | C9 | C15 | H9 | 174.5° | 62.5° |
| C9 | C10 | O1 | H13 | 180.0° | 175.7° |
| C9 | C10 | C11 | H16 | 112.1° | 118.8° |
| C10 | C9 | C14 | H18 | 167.8° | 171.1° |
| C10 | C9 | C14 | H19 | 46.2° | 48.6° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.3° | 0.4° |
| C6 | C5 | C4 | H1 | 179.8° | 180.0° |
| C5 | C6 | C7 | H4 | 179.9° | 180.0° |
| O1 | C10 | C11 | H5 | 121.9° | 122.3° |
| O1 | C10 | C11 | H16 | 124.9° | 122.3° |
| C18 | N2 | C17 | H10 | 55.7° | 176.1° |
| C18 | N2 | C17 | H11 | 64.3° | 56.1° |
| C18 | N2 | C17 | H12 | 175.7° | 63.9° |
| C18 | N2 | C16 | H20 | 34.7° | 167.5° |
| C18 | N2 | C16 | H21 | 85.9° | 47.5° |
| N2 | C18 | H22 | H23 | 120.0° | 120.0° |
| N2 | C18 | H22 | H24 | 120.0° | 120.0° |
| N2 | C18 | H23 | H24 | 120.0° | 120.0° |
| C8 | C3 | C4 | C5 | 0.6° | 0.6° |
| C8 | C3 | C4 | H15 | 180.0° | 179.5° |
| C8 | C3 | C4 | H1 | 179.4° | 179.8° |
| C3 | C8 | C7 | H4 | 179.1° | 179.8° |
| C11 | C10 | O1 | H13 | 64.9° | 60.3° |
| C10 | C11 | C12 | H17 | 158.9° | 160.4° |
| C10 | C11 | C16 | H20 | 54.3° | 58.3° |
| C10 | C11 | C16 | H21 | 174.9° | 61.7° |
| N2 | C17 | H10 | H11 | 120.0° | 120.0° |
| N2 | C17 | H10 | H12 | 120.0° | 120.0° |
| N2 | C17 | H11 | H12 | 120.0° | 120.0° |
| C17 | N2 | C16 | H20 | 160.2° | 43.6° |
| C17 | N2 | C16 | H21 | 39.6° | 76.4° |
| C17 | N2 | C18 | H22 | 53.2° | 64.4° |
| C17 | N2 | C18 | H23 | 173.2° | 175.6° |
| C17 | N2 | C18 | H24 | 66.8° | 55.6° |
| C5 | C4 | C3 | H1 | 180.0° | 179.6° |
| C4 | C5 | C6 | H3 | 179.5° | 179.9° |
| C5 | C4 | C3 | H15 | 179.4° | 179.9° |
| C3 | C4 | C5 | H2 | 179.8° | 179.7° |
| H1 | C4 | C5 | H2 | 0.2° | 0.1° |
| H1 | C4 | C3 | H15 | 0.6° | 0.3° |
| H2 | C5 | C6 | H3 | 0.5° | 0.1° |
| H3 | C6 | C7 | H4 | 0.1° | 0.0° |
| H5 | C10 | O1 | H13 | 55.7° | 62.0° |
| H5 | C10 | C11 | H16 | 3.1° | 0.0° |
| H6 | C13 | C12 | H17 | 79.8° | 41.3° |
| H6 | C13 | C14 | H18 | 116.4° | 0.1° |
| H6 | C13 | C14 | H19 | 5.3° | 122.6° |
| H7 | C13 | C12 | H17 | 42.0° | 81.1° |
| H7 | C13 | C14 | H18 | 5.4° | 122.3° |
| H7 | C13 | C14 | H19 | 127.1° | 0.2° |
| H8 | C15 | C12 | H17 | 62.8° | 62.7° |
| H9 | C15 | C12 | H17 | 61.8° | 63.8° |
| H10 | C17 | H11 | H12 | 120.0° | 120.0° |
| H16 | C11 | C12 | H17 | 45.8° | 41.6° |
| H16 | C11 | C16 | H20 | 173.7° | 179.4° |
| H16 | C11 | C16 | H21 | 65.7° | 60.5° |
| H22 | C18 | H23 | H24 | 120.0° | 120.0° |
