Y9J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C23 | doub | 1.21Å | 1.24Å | |
| O3 | C23 | sing | 1.34Å | 1.24Å | |
| C23 | C22 | sing | 1.51Å | 1.54Å | |
| C22 | O1 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.38Å | 1.21Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.21Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.35Å | Aromatic |
| O1 | C18 | sing | 1.36Å | 1.41Å | |
| C18 | C16 | sing | 1.39Å | 1.54Å | Aromatic |
| C21 | C15 | sing | 1.39Å | 1.67Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.50Å | 1.50Å | |
| C15 | C14 | sing | 1.50Å | 1.50Å | |
| C17 | C12 | sing | 1.50Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| O4 | C10 | sing | 1.43Å | 1.37Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.54Å | 1.53Å | |
| C11 | C10 | sing | 1.55Å | 1.58Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.54Å | 1.50Å | |
| C13 | C9 | sing | 1.56Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | O5 | sing | 1.43Å | 1.36Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| O3 | H32 | sing | 0.97Å | 0.95Å | |
| O4 | H33 | sing | 0.97Å | 0.95Å | |
| O5 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C23 | O3 | 113.3° | 120.0° |
| O2 | C23 | C22 | 122.6° | 120.1° |
| O3 | C23 | C22 | 124.1° | 120.0° |
| C23 | O3 | H32 | 109.5° | 117.0° |
| C23 | C22 | O1 | 113.1° | 109.5° |
| C23 | C22 | H31 | 108.6° | 109.5° |
| C23 | C22 | H30 | 108.6° | 109.5° |
| C22 | O1 | C18 | 115.0° | 117.0° |
| O1 | C22 | H31 | 108.6° | 109.5° |
| O1 | C22 | H30 | 108.5° | 109.4° |
| C20 | C19 | C18 | 123.4° | 119.6° |
| C19 | C20 | C21 | 125.3° | 120.7° |
| C19 | C20 | H28 | 117.4° | 119.2° |
| C20 | C19 | H27 | 118.3° | 120.2° |
| C19 | C18 | O1 | 115.7° | 119.8° |
| C19 | C18 | C16 | 122.0° | 120.4° |
| C18 | C19 | H27 | 118.3° | 120.2° |
| C20 | C21 | C15 | 122.8° | 119.5° |
| C21 | C20 | H28 | 117.3° | 120.1° |
| C20 | C21 | H29 | 118.6° | 119.6° |
| O1 | C18 | C16 | 122.3° | 119.8° |
| C18 | C16 | C15 | 124.3° | 119.8° |
| C18 | C16 | C17 | 125.5° | 117.9° |
| C21 | C15 | C16 | 102.2° | 119.9° |
| C21 | C15 | C14 | 143.7° | 117.8° |
| C15 | C21 | H29 | 118.6° | 120.9° |
| C15 | C16 | C17 | 110.2° | 122.2° |
| C16 | C15 | C14 | 114.1° | 122.3° |
| C16 | C17 | C12 | 126.0° | 113.7° |
| C16 | C17 | H26 | 105.2° | 108.6° |
| C16 | C17 | H25 | 105.2° | 108.5° |
| C15 | C14 | C13 | 123.5° | 113.4° |
| C15 | C14 | H24 | 105.9° | 108.7° |
| C15 | C14 | H23 | 105.8° | 108.7° |
| C17 | C12 | C11 | 107.6° | 115.2° |
| C17 | C12 | C13 | 110.9° | 113.8° |
| C12 | C17 | H26 | 105.2° | 108.7° |
| C12 | C17 | H25 | 105.2° | 108.7° |
| C17 | C12 | H4 | 110.1° | 108.3° |
| C14 | C13 | C12 | 107.7° | 110.6° |
| C14 | C13 | C9 | 106.1° | 105.5° |
| C14 | C13 | H5 | 111.0° | 112.6° |
| C13 | C14 | H24 | 105.8° | 108.7° |
| C13 | C14 | H23 | 105.9° | 108.7° |
| O4 | C10 | C11 | 110.1° | 110.1° |
| O4 | C10 | C9 | 109.3° | 110.0° |
| O4 | C10 | H3 | 110.6° | 109.9° |
| C10 | O4 | H33 | 109.5° | 114.0° |
| C11 | C12 | C13 | 108.5° | 103.5° |
| C12 | C11 | C10 | 102.5° | 102.9° |
| C12 | C11 | H21 | 111.2° | 110.7° |
| C12 | C11 | H22 | 111.2° | 110.9° |
| C11 | C12 | H4 | 109.8° | 108.2° |
| C12 | C13 | C9 | 109.1° | 101.8° |
| C12 | C13 | H5 | 111.0° | 112.7° |
| C13 | C12 | H4 | 110.0° | 107.4° |
| C11 | C10 | C9 | 110.2° | 106.6° |
| C11 | C10 | H3 | 107.8° | 110.1° |
| C10 | C11 | H21 | 111.2° | 110.8° |
| C10 | C11 | H22 | 111.2° | 110.7° |
| C1 | C2 | C3 | 103.5° | 109.5° |
| C2 | C1 | H6 | 109.5° | 109.4° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.4° |
| C1 | C2 | H9 | 110.9° | 109.5° |
| C1 | C2 | H10 | 110.9° | 109.5° |
| C10 | C9 | C13 | 107.5° | 106.0° |
| C10 | C9 | C8 | 106.2° | 110.2° |
| C9 | C10 | H3 | 108.8° | 110.0° |
| C10 | C9 | H2 | 111.4° | 110.2° |
| C13 | C9 | C8 | 109.3° | 110.1° |
| C9 | C13 | H5 | 111.7° | 112.9° |
| C13 | C9 | H2 | 111.6° | 110.1° |
| C2 | C3 | C4 | 106.6° | 109.5° |
| C3 | C2 | H9 | 110.9° | 109.5° |
| C3 | C2 | H10 | 110.9° | 109.5° |
| C2 | C3 | H12 | 110.2° | 109.5° |
| C2 | C3 | H11 | 110.2° | 109.5° |
| C3 | C4 | C5 | 105.0° | 109.5° |
| C3 | C4 | H13 | 110.6° | 109.4° |
| C3 | C4 | H14 | 110.6° | 109.5° |
| C4 | C3 | H12 | 110.2° | 109.5° |
| C4 | C3 | H11 | 110.2° | 109.5° |
| C9 | C8 | C7 | 111.3° | 109.4° |
| C9 | C8 | H20 | 109.0° | 109.5° |
| C9 | C8 | H19 | 109.0° | 109.4° |
| C8 | C9 | H2 | 110.6° | 110.1° |
| C4 | C5 | C6 | 105.9° | 109.5° |
| C5 | C4 | H13 | 110.6° | 109.4° |
| C5 | C4 | H14 | 110.6° | 109.5° |
| C4 | C5 | H16 | 110.4° | 109.5° |
| C4 | C5 | H15 | 110.4° | 109.5° |
| C8 | C7 | C6 | 107.3° | 109.4° |
| C8 | C7 | H17 | 110.0° | 109.5° |
| C8 | C7 | H18 | 110.0° | 109.5° |
| C7 | C8 | H20 | 109.0° | 109.5° |
| C7 | C8 | H19 | 109.0° | 109.5° |
| C7 | C6 | C5 | 113.7° | 109.5° |
| C7 | C6 | O5 | 111.1° | 109.5° |
| C7 | C6 | H1 | 108.4° | 109.5° |
| C6 | C7 | H17 | 110.0° | 109.4° |
| C6 | C7 | H18 | 110.0° | 109.5° |
| C5 | C6 | O5 | 104.2° | 109.5° |
| C6 | C5 | H16 | 110.3° | 109.5° |
| C6 | C5 | H15 | 110.3° | 109.5° |
| C5 | C6 | H1 | 108.7° | 109.5° |
| O5 | C6 | H1 | 110.8° | 109.5° |
| C6 | O5 | H34 | 109.5° | 114.0° |
| H13 | C4 | H14 | 109.5° | 109.5° |
| H16 | C5 | H15 | 109.4° | 109.5° |
| H17 | C7 | H18 | 109.5° | 109.5° |
| H20 | C8 | H19 | 109.5° | 109.5° |
| H26 | C17 | H25 | 109.4° | 108.6° |
| H31 | C22 | H30 | 109.4° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H8 | 109.4° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.5° | 109.5° |
| H12 | C3 | H11 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 110.6° |
| H24 | C14 | H23 | 109.5° | 108.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C23 | O3 | C22 | 178.7° | 180.0° |
| O2 | C23 | C22 | O1 | 147.8° | 0.0° |
| O2 | C23 | C22 | H31 | 91.6° | 120.0° |
| O2 | C23 | C22 | H30 | 27.3° | 119.9° |
| O2 | C23 | O3 | H32 | 0.0° | 0.0° |
| O3 | C23 | C22 | O1 | 33.6° | 180.0° |
| O3 | C23 | C22 | H31 | 87.0° | 60.0° |
| O3 | C23 | C22 | H30 | 154.1° | 60.0° |
| C23 | C22 | O1 | H31 | 120.6° | 120.0° |
| C23 | C22 | O1 | H30 | 120.6° | 120.0° |
| C23 | C22 | O1 | C18 | 120.4° | 180.0° |
| C23 | C22 | H31 | H30 | 118.4° | 120.0° |
| C22 | C23 | O3 | H32 | 178.7° | 180.0° |
| C22 | O1 | C18 | C19 | 70.3° | 0.0° |
| C22 | O1 | C18 | C16 | 109.8° | 180.0° |
| O1 | C22 | H31 | H30 | 118.3° | 120.0° |
| C20 | C19 | C18 | H27 | 180.0° | 179.9° |
| C19 | C20 | C21 | H28 | 180.0° | 179.9° |
| C20 | C19 | C18 | O1 | 179.8° | 180.0° |
| C20 | C19 | C18 | C16 | 0.3° | 0.0° |
| C19 | C20 | C21 | C15 | 0.8° | 0.2° |
| C19 | C20 | C21 | H29 | 179.2° | 179.8° |
| C18 | C19 | C20 | C21 | 0.6° | 0.7° |
| C19 | C18 | O1 | C16 | 179.9° | 180.0° |
| C19 | C18 | C16 | C15 | 0.2° | 1.0° |
| C19 | C18 | C16 | C17 | 178.8° | 177.8° |
| C18 | C19 | C20 | H28 | 179.4° | 179.4° |
| C20 | C21 | C15 | H29 | 180.0° | 179.9° |
| C20 | C21 | C15 | C16 | 0.5° | 0.8° |
| C20 | C21 | C15 | C14 | 178.7° | 179.1° |
| C21 | C20 | C19 | H27 | 179.4° | 179.5° |
| O1 | C18 | C16 | C15 | 179.9° | 179.0° |
| O1 | C18 | C16 | C17 | 1.1° | 2.2° |
| C18 | O1 | C22 | H31 | 0.2° | 60.0° |
| C18 | O1 | C22 | H30 | 119.1° | 60.0° |
| O1 | C18 | C19 | H27 | 0.2° | 0.1° |
| C18 | C16 | C15 | C21 | 0.2° | 1.5° |
| C18 | C16 | C15 | C17 | 179.1° | 178.8° |
| C18 | C16 | C15 | C14 | 179.1° | 178.5° |
| C18 | C16 | C17 | C12 | 136.5° | 167.7° |
| C18 | C16 | C17 | H26 | 101.3° | 46.5° |
| C18 | C16 | C17 | H25 | 14.3° | 71.3° |
| C16 | C18 | C19 | H27 | 179.7° | 179.9° |
| C21 | C15 | C16 | C14 | 178.8° | 179.9° |
| C21 | C15 | C16 | C17 | 178.8° | 177.3° |
| C21 | C15 | C14 | C13 | 132.6° | 161.1° |
| C15 | C21 | C20 | H28 | 179.2° | 179.8° |
| C21 | C15 | C14 | H24 | 10.7° | 40.1° |
| C21 | C15 | C14 | H23 | 105.5° | 77.9° |
| C15 | C16 | C17 | C12 | 42.6° | 13.6° |
| C16 | C15 | C14 | C13 | 45.5° | 19.0° |
| C15 | C16 | C17 | H26 | 79.6° | 134.7° |
| C15 | C16 | C17 | H25 | 164.8° | 107.5° |
| C16 | C15 | C21 | H29 | 179.5° | 179.1° |
| C16 | C15 | C14 | H24 | 167.3° | 140.0° |
| C16 | C15 | C14 | H23 | 76.4° | 102.0° |
| C17 | C16 | C15 | C14 | 0.0° | 2.8° |
| C16 | C17 | C12 | H26 | 122.2° | 121.1° |
| C16 | C17 | C12 | H25 | 122.2° | 120.9° |
| C16 | C17 | C12 | C11 | 79.4° | 78.8° |
| C16 | C17 | C12 | C13 | 39.1° | 40.6° |
| C16 | C17 | H26 | H25 | 112.6° | 117.8° |
| C16 | C17 | C12 | H4 | 161.0° | 160.0° |
| C15 | C14 | C13 | H24 | 121.9° | 121.0° |
| C15 | C14 | C13 | H23 | 121.9° | 121.0° |
| C15 | C14 | C13 | C12 | 46.8° | 44.3° |
| C15 | C14 | C13 | C9 | 70.0° | 153.7° |
| C15 | C14 | C13 | H5 | 168.4° | 82.8° |
| C14 | C15 | C21 | H29 | 1.3° | 1.0° |
| C15 | C14 | H24 | H23 | 113.7° | 118.1° |
| C17 | C12 | C13 | C14 | 5.2° | 56.8° |
| C17 | C12 | C11 | C13 | 120.0° | 124.9° |
| C17 | C12 | C11 | H4 | 119.8° | 121.3° |
| C17 | C12 | C13 | H4 | 122.0° | 119.9° |
| C17 | C12 | C11 | C10 | 106.5° | 165.9° |
| C17 | C12 | C13 | C9 | 109.5° | 168.5° |
| C17 | C12 | C13 | H5 | 126.9° | 70.2° |
| C12 | C17 | H26 | H25 | 112.6° | 118.0° |
| C17 | C12 | C11 | H21 | 134.6° | 47.5° |
| C17 | C12 | C11 | H22 | 12.4° | 75.6° |
| C14 | C13 | C12 | C11 | 123.2° | 68.9° |
| C14 | C13 | C12 | C9 | 114.8° | 111.7° |
| C14 | C13 | C12 | H5 | 121.7° | 127.1° |
| C14 | C13 | C9 | C10 | 114.8° | 87.5° |
| C14 | C13 | C9 | H5 | 121.1° | 123.4° |
| C14 | C13 | C9 | C8 | 130.3° | 153.3° |
| C14 | C13 | C9 | H2 | 7.6° | 31.6° |
| C14 | C13 | C12 | H4 | 116.7° | 176.7° |
| C13 | C14 | H24 | H23 | 113.7° | 118.1° |
| O4 | C10 | C11 | C12 | 106.1° | 142.4° |
| O4 | C10 | C11 | C9 | 120.6° | 119.3° |
| O4 | C10 | C11 | H3 | 120.8° | 121.4° |
| O4 | C10 | C9 | H3 | 120.9° | 121.3° |
| O4 | C10 | C9 | C13 | 111.1° | 116.2° |
| O4 | C10 | C9 | C8 | 132.0° | 124.7° |
| O4 | C10 | C9 | H2 | 11.5° | 3.0° |
| O4 | C10 | C11 | H21 | 135.0° | 24.0° |
| O4 | C10 | C11 | H22 | 12.8° | 99.1° |
| C11 | C12 | C13 | H4 | 120.1° | 114.3° |
| C12 | C11 | C10 | H21 | 118.9° | 118.4° |
| C12 | C11 | C10 | H22 | 118.9° | 118.5° |
| C12 | C11 | C10 | C9 | 14.5° | 23.0° |
| C11 | C12 | C13 | C9 | 8.4° | 42.8° |
| C12 | C11 | C10 | H3 | 133.1° | 96.3° |
| C11 | C12 | C13 | H5 | 115.2° | 164.0° |
| C11 | C12 | C17 | H26 | 158.4° | 42.4° |
| C11 | C12 | C17 | H25 | 42.8° | 160.3° |
| C12 | C11 | H21 | H22 | 123.2° | 123.3° |
| C13 | C12 | C11 | C10 | 13.5° | 41.0° |
| C12 | C13 | C9 | C10 | 1.0° | 28.0° |
| C12 | C13 | C9 | H5 | 123.1° | 121.1° |
| C12 | C13 | C9 | C8 | 113.8° | 91.2° |
| C13 | C12 | C17 | H26 | 83.1° | 161.7° |
| C13 | C12 | C17 | H25 | 161.3° | 80.3° |
| C12 | C13 | C9 | H2 | 123.5° | 147.2° |
| C13 | C12 | C11 | H21 | 105.4° | 77.4° |
| C13 | C12 | C11 | H22 | 132.4° | 159.4° |
| C12 | C13 | C14 | H24 | 168.7° | 165.3° |
| C12 | C13 | C14 | H23 | 75.1° | 76.7° |
| C11 | C10 | C9 | H3 | 118.0° | 119.4° |
| C11 | C10 | C9 | C13 | 10.0° | 3.2° |
| C11 | C10 | C9 | C8 | 106.9° | 116.0° |
| C11 | C10 | C9 | H2 | 132.6° | 122.3° |
| C10 | C11 | H21 | H22 | 123.2° | 123.2° |
| C10 | C11 | C12 | H4 | 133.7° | 72.8° |
| C11 | C10 | O4 | H33 | 180.0° | 62.8° |
| C1 | C2 | C3 | H9 | 119.0° | 120.0° |
| C1 | C2 | C3 | H10 | 119.0° | 120.0° |
| C1 | C2 | C3 | C4 | 68.8° | 180.0° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H8 | 120.0° | 119.9° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C1 | C2 | H9 | H10 | 122.8° | 120.0° |
| C1 | C2 | C3 | H12 | 50.8° | 60.0° |
| C1 | C2 | C3 | H11 | 171.7° | 60.0° |
| C10 | C9 | C13 | C8 | 114.9° | 119.2° |
| C10 | C9 | C13 | H2 | 122.4° | 119.2° |
| C10 | C9 | C8 | H2 | 121.0° | 121.8° |
| C10 | C9 | C8 | C7 | 70.7° | 66.5° |
| C10 | C9 | C8 | H20 | 169.0° | 53.5° |
| C10 | C9 | C8 | H19 | 49.5° | 173.5° |
| C10 | C9 | C13 | H5 | 124.1° | 149.0° |
| C9 | C10 | C11 | H21 | 104.4° | 95.3° |
| C9 | C10 | C11 | H22 | 133.4° | 141.6° |
| C9 | C10 | O4 | H33 | 58.9° | 180.0° |
| C13 | C9 | C8 | H2 | 123.3° | 121.6° |
| C13 | C9 | C8 | C7 | 173.6° | 176.9° |
| C13 | C9 | C8 | H20 | 53.3° | 63.1° |
| C13 | C9 | C8 | H19 | 66.2° | 56.9° |
| C13 | C9 | C10 | H3 | 128.0° | 122.5° |
| C9 | C13 | C12 | H4 | 128.5° | 71.6° |
| C9 | C13 | C14 | H24 | 51.9° | 85.3° |
| C9 | C13 | C14 | H23 | 168.1° | 32.7° |
| C2 | C3 | C4 | H12 | 119.5° | 120.0° |
| C2 | C3 | C4 | H11 | 119.5° | 120.0° |
| C2 | C3 | C4 | C5 | 77.2° | 180.0° |
| C2 | C3 | C4 | H13 | 42.0° | 60.0° |
| C2 | C3 | C4 | H14 | 163.5° | 60.0° |
| C3 | C2 | C1 | H6 | 180.0° | 60.0° |
| C3 | C2 | C1 | H7 | 60.0° | 60.0° |
| C3 | C2 | C1 | H8 | 60.0° | 180.0° |
| C3 | C2 | H9 | H10 | 122.8° | 120.0° |
| C2 | C3 | H12 | H11 | 121.3° | 120.0° |
| C3 | C4 | C5 | H13 | 119.3° | 119.9° |
| C3 | C4 | C5 | H14 | 119.3° | 120.1° |
| C3 | C4 | C5 | C6 | 85.2° | 180.0° |
| C3 | C4 | H13 | H14 | 122.1° | 120.0° |
| C3 | C4 | C5 | H16 | 34.3° | 60.0° |
| C3 | C4 | C5 | H15 | 155.4° | 60.0° |
| C4 | C3 | C2 | H9 | 172.2° | 60.0° |
| C4 | C3 | C2 | H10 | 50.2° | 60.0° |
| C4 | C3 | H12 | H11 | 121.3° | 120.0° |
| C9 | C8 | C7 | H20 | 120.3° | 120.0° |
| C9 | C8 | C7 | H19 | 120.3° | 120.0° |
| C9 | C8 | C7 | C6 | 119.5° | NaN° |
| C9 | C8 | C7 | H17 | 120.9° | 60.1° |
| C9 | C8 | C7 | H18 | 0.2° | 60.0° |
| C9 | C8 | H20 | H19 | 119.2° | 120.0° |
| C8 | C9 | C10 | H3 | 11.1° | 3.4° |
| C8 | C9 | C13 | H5 | 9.2° | 29.9° |
| C4 | C5 | C6 | C7 | 113.1° | 175.0° |
| C4 | C5 | C6 | H16 | 119.5° | 120.0° |
| C4 | C5 | C6 | H15 | 119.5° | 120.0° |
| C4 | C5 | C6 | O5 | 125.8° | 65.0° |
| C5 | C4 | H13 | H14 | 122.1° | 120.0° |
| C4 | C5 | H16 | H15 | 121.7° | 120.0° |
| C4 | C5 | C6 | H1 | 7.7° | 55.0° |
| C5 | C4 | C3 | H12 | 163.2° | 60.0° |
| C5 | C4 | C3 | H11 | 42.3° | 60.0° |
| C8 | C7 | C6 | H17 | 119.7° | 119.9° |
| C8 | C7 | C6 | H18 | 119.7° | 120.0° |
| C8 | C7 | C6 | C5 | 167.2° | 175.0° |
| C8 | C7 | C6 | O5 | 75.7° | 65.0° |
| C8 | C7 | C6 | H1 | 46.3° | 55.0° |
| C8 | C7 | H17 | H18 | 121.0° | 120.1° |
| C7 | C8 | H20 | H19 | 119.2° | 120.1° |
| C7 | C8 | C9 | H2 | 50.3° | 55.3° |
| C7 | C6 | C5 | O5 | 121.1° | 120.0° |
| C7 | C6 | C5 | H1 | 120.7° | 120.0° |
| C7 | C6 | O5 | H1 | 120.5° | 120.0° |
| C7 | C6 | C5 | H16 | 6.4° | 55.0° |
| C7 | C6 | C5 | H15 | 127.5° | 65.0° |
| C6 | C7 | H17 | H18 | 121.0° | 120.0° |
| C6 | C7 | C8 | H20 | 0.8° | 60.0° |
| C6 | C7 | C8 | H19 | 120.3° | 60.0° |
| C7 | C6 | O5 | H34 | 180.0° | 60.0° |
| C5 | C6 | O5 | H1 | 116.7° | 120.0° |
| C6 | C5 | C4 | H13 | 155.6° | 60.0° |
| C6 | C5 | C4 | H14 | 34.1° | 60.0° |
| C6 | C5 | H16 | H15 | 121.6° | 120.0° |
| C5 | C6 | C7 | H17 | 73.2° | 55.1° |
| C5 | C6 | C7 | H18 | 47.5° | 65.0° |
| C5 | C6 | O5 | H34 | 57.2° | 60.0° |
| O5 | C6 | C5 | H16 | 114.7° | 175.0° |
| O5 | C6 | C5 | H15 | 6.4° | 55.0° |
| O5 | C6 | C7 | H17 | 43.9° | 175.0° |
| O5 | C6 | C7 | H18 | 164.6° | 55.0° |
| H13 | C4 | C5 | H16 | 85.0° | 60.0° |
| H13 | C4 | C5 | H15 | 36.1° | 180.0° |
| H13 | C4 | C3 | H12 | 77.5° | 179.9° |
| H13 | C4 | C3 | H11 | 161.6° | 60.0° |
| H14 | C4 | C5 | H16 | 153.5° | 180.0° |
| H14 | C4 | C5 | H15 | 85.3° | 60.1° |
| H14 | C4 | C3 | H12 | 43.9° | 60.1° |
| H14 | C4 | C3 | H11 | 77.0° | 180.0° |
| H16 | C5 | C6 | H1 | 127.1° | 65.0° |
| H15 | C5 | C6 | H1 | 111.8° | 175.0° |
| H1 | C6 | C7 | H17 | 165.9° | 65.0° |
| H1 | C6 | C7 | H18 | 73.4° | 175.0° |
| H1 | C6 | O5 | H34 | 59.5° | 180.0° |
| H17 | C7 | C8 | H20 | 118.8° | 180.0° |
| H17 | C7 | C8 | H19 | 0.6° | 59.9° |
| H18 | C7 | C8 | H20 | 120.5° | 60.0° |
| H18 | C7 | C8 | H19 | 120.0° | 179.9° |
| H20 | C8 | C9 | H2 | 70.0° | 175.3° |
| H19 | C8 | C9 | H2 | 170.5° | 64.7° |
| H3 | C10 | C9 | H2 | 109.4° | 118.3° |
| H3 | C10 | C11 | H21 | 14.3° | 145.4° |
| H3 | C10 | C11 | H22 | 108.0° | 22.3° |
| H3 | C10 | O4 | H33 | 60.9° | 58.6° |
| H5 | C13 | C9 | H2 | 113.4° | 91.8° |
| H5 | C13 | C12 | H4 | 4.9° | 49.7° |
| H5 | C13 | C14 | H24 | 69.7° | 38.2° |
| H5 | C13 | C14 | H23 | 46.6° | 156.2° |
| H26 | C17 | C12 | H4 | 38.8° | 78.9° |
| H25 | C17 | C12 | H4 | 76.7° | 39.1° |
| H28 | C20 | C21 | H29 | 0.7° | 0.1° |
| H28 | C20 | C19 | H27 | 0.6° | 0.4° |
| H6 | C1 | H7 | H8 | 119.9° | 120.1° |
| H6 | C1 | C2 | H9 | 61.0° | 60.0° |
| H6 | C1 | C2 | H10 | 61.0° | 180.0° |
| H7 | C1 | C2 | H9 | 59.0° | 180.0° |
| H7 | C1 | C2 | H10 | 179.0° | 60.0° |
| H8 | C1 | C2 | H9 | 179.0° | 60.0° |
| H8 | C1 | C2 | H10 | 59.0° | 60.0° |
| H9 | C2 | C3 | H12 | 68.2° | 60.0° |
| H9 | C2 | C3 | H11 | 52.7° | 180.0° |
| H10 | C2 | C3 | H12 | 169.8° | 180.0° |
| H10 | C2 | C3 | H11 | 69.3° | 60.0° |
| H21 | C11 | C12 | H4 | 14.9° | 168.8° |
| H22 | C11 | C12 | H4 | 107.4° | 45.7° |
