MQ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | sing | 1.55Å | 1.52Å | |
| C28 | C29 | sing | 1.56Å | 1.52Å | |
| C27 | C26 | sing | 1.56Å | 1.56Å | |
| C29 | N25 | sing | 1.49Å | 1.47Å | |
| C26 | N25 | sing | 1.45Å | 1.48Å | |
| C26 | C16 | sing | 1.54Å | 1.57Å | |
| C26 | C30 | sing | 1.50Å | 1.53Å | |
| N25 | C24 | sing | 1.49Å | 1.44Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C16 | C15 | sing | 1.56Å | 1.58Å | |
| C30 | C31 | doub | 1.32Å | 1.35Å | |
| C18 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.36Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.49Å | |
| C17 | C22 | sing | 1.34Å | 1.41Å | Aromatic |
| C15 | C31 | sing | 1.51Å | 1.51Å | |
| C15 | O14 | sing | 1.45Å | 1.46Å | |
| C31 | O32 | sing | 1.36Å | 1.36Å | |
| O36 | C19 | sing | 1.35Å | 1.37Å | |
| O36 | C35 | sing | 1.44Å | 1.42Å | |
| C19 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| O32 | C33 | sing | 1.43Å | 1.41Å | |
| C22 | C23 | sing | 1.50Å | 1.49Å | |
| C22 | C21 | doub | 1.41Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.36Å | Aromatic |
| C20 | O34 | sing | 1.35Å | 1.37Å | |
| O14 | C12 | sing | 1.34Å | 1.39Å | |
| C35 | O34 | sing | 1.44Å | 1.42Å | |
| C12 | O13 | doub | 1.21Å | 1.22Å | |
| C12 | C06 | sing | 1.51Å | 1.54Å | |
| O37 | C06 | sing | 1.43Å | 1.34Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C06 | C05 | sing | 1.53Å | 1.58Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C01 | C02 | sing | 1.53Å | 1.51Å | |
| C04 | C02 | sing | 1.53Å | 1.51Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| C02 | O38 | sing | 1.43Å | 1.40Å | |
| O09 | C08 | doub | 1.21Å | 1.22Å | |
| O10 | C08 | sing | 1.34Å | 1.36Å | |
| O10 | C11 | sing | 1.45Å | 1.41Å | |
| C08 | C07 | sing | 1.51Å | 1.50Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.08Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.10Å | 1.10Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.11Å | 1.10Å | |
| C23 | H25 | sing | 1.07Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| O37 | H39 | sing | 0.97Å | 0.95Å | |
| O38 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C28 | C29 | 105.1° | 101.4° |
| C28 | C27 | C26 | 106.7° | 104.3° |
| C27 | C28 | H5 | 110.5° | 110.8° |
| C27 | C28 | H6 | 110.6° | 111.1° |
| C28 | C27 | H26 | 110.2° | 110.4° |
| C28 | C27 | H27 | 110.1° | 110.6° |
| C28 | C29 | N25 | 107.4° | 101.0° |
| C29 | C28 | H5 | 110.6° | 110.6° |
| C29 | C28 | H6 | 110.6° | 110.8° |
| C28 | C29 | H28 | 110.0° | 110.9° |
| C28 | C29 | H29 | 110.0° | 110.9° |
| C27 | C26 | N25 | 106.2° | 106.5° |
| C27 | C26 | C16 | 118.2° | 107.5° |
| C27 | C26 | C30 | 97.2° | 107.8° |
| C26 | C27 | H26 | 110.2° | 109.8° |
| C26 | C27 | H27 | 110.2° | 110.2° |
| C29 | N25 | C26 | 108.4° | 105.5° |
| C29 | N25 | C24 | 115.0° | 108.4° |
| N25 | C29 | H28 | 110.0° | 110.7° |
| N25 | C29 | H29 | 110.0° | 110.7° |
| N25 | C26 | C16 | 113.7° | 111.1° |
| N25 | C26 | C30 | 116.8° | 117.1° |
| C26 | N25 | C24 | 114.6° | 117.4° |
| C16 | C26 | C30 | 103.9° | 106.5° |
| C26 | C16 | C17 | 115.7° | 114.2° |
| C26 | C16 | C15 | 105.0° | 99.8° |
| C26 | C16 | H22 | 105.1° | 111.5° |
| C26 | C30 | C31 | 111.8° | 109.8° |
| C26 | C30 | H30 | 124.1° | 125.6° |
| N25 | C24 | C23 | 115.0° | 108.1° |
| N25 | C24 | H3 | 108.1° | 109.4° |
| N25 | C24 | H4 | 108.1° | 109.4° |
| C17 | C16 | C15 | 119.3° | 107.2° |
| C16 | C17 | C18 | 117.7° | 114.1° |
| C16 | C17 | C22 | 124.5° | 123.6° |
| C17 | C16 | H22 | 105.4° | 111.3° |
| C16 | C15 | C31 | 103.9° | 104.5° |
| C16 | C15 | O14 | 113.3° | 111.0° |
| C16 | C15 | H1 | 108.3° | 110.5° |
| C15 | C16 | H22 | 105.1° | 112.3° |
| C30 | C31 | C15 | 112.4° | 110.9° |
| C30 | C31 | O32 | 126.1° | 124.5° |
| C31 | C30 | H30 | 124.1° | 124.6° |
| C17 | C18 | C19 | 119.3° | 117.9° |
| C18 | C17 | C22 | 117.8° | 122.4° |
| C17 | C18 | H23 | 120.4° | 120.8° |
| C18 | C19 | O36 | 128.9° | 130.8° |
| C18 | C19 | C20 | 122.3° | 120.3° |
| C19 | C18 | H23 | 120.3° | 121.3° |
| C24 | C23 | C22 | 116.0° | 109.7° |
| C23 | C24 | H3 | 108.1° | 109.6° |
| C23 | C24 | H4 | 108.1° | 109.7° |
| C24 | C23 | H24 | 107.8° | 106.6° |
| C24 | C23 | H25 | 107.8° | 113.6° |
| C17 | C22 | C23 | 126.0° | 127.5° |
| C17 | C22 | C21 | 122.2° | 120.3° |
| C31 | C15 | O14 | 112.1° | 110.5° |
| C15 | C31 | O32 | 116.6° | 124.6° |
| C31 | C15 | H1 | 109.1° | 110.2° |
| C15 | O14 | C12 | 121.1° | 117.0° |
| O14 | C15 | H1 | 109.9° | 110.0° |
| C31 | O32 | C33 | 114.0° | 117.0° |
| C19 | O36 | C35 | 105.2° | 105.6° |
| O36 | C19 | C20 | 108.8° | 108.9° |
| O36 | C35 | O34 | 106.9° | 104.2° |
| O36 | C35 | H36 | 110.1° | 110.6° |
| O36 | C35 | H37 | 110.1° | 110.5° |
| C19 | C20 | C21 | 121.0° | 120.8° |
| C19 | C20 | O34 | 108.9° | 108.8° |
| O32 | C33 | H33 | 109.5° | 109.4° |
| O32 | C33 | H34 | 109.5° | 109.5° |
| O32 | C33 | H35 | 109.5° | 109.5° |
| C23 | C22 | C21 | 111.8° | 112.2° |
| C22 | C23 | H24 | 107.8° | 106.9° |
| C22 | C23 | H25 | 107.8° | 112.8° |
| C22 | C21 | C20 | 117.4° | 118.4° |
| C22 | C21 | H2 | 121.3° | 120.3° |
| C21 | C20 | O34 | 130.1° | 130.4° |
| C20 | C21 | H2 | 121.3° | 121.3° |
| C20 | O34 | C35 | 105.1° | 105.6° |
| O14 | C12 | O13 | 120.5° | 120.0° |
| O14 | C12 | C06 | 119.3° | 120.0° |
| O34 | C35 | H36 | 110.1° | 110.6° |
| O34 | C35 | H37 | 110.1° | 110.4° |
| O13 | C12 | C06 | 120.1° | 120.0° |
| C12 | C06 | O37 | 120.9° | 109.5° |
| C12 | C06 | C05 | 96.0° | 109.5° |
| C12 | C06 | C07 | 114.7° | 109.5° |
| O37 | C06 | C05 | 89.4° | 109.4° |
| O37 | C06 | C07 | 123.4° | 109.5° |
| C06 | O37 | H39 | 109.5° | 114.0° |
| C03 | C02 | C01 | 107.2° | 109.4° |
| C03 | C02 | C04 | 112.9° | 109.4° |
| C03 | C02 | O38 | 109.4° | 109.5° |
| C02 | C03 | H10 | 109.5° | 109.5° |
| C02 | C03 | H11 | 109.5° | 109.5° |
| C02 | C03 | H12 | 109.5° | 109.5° |
| C05 | C06 | C07 | 94.7° | 109.5° |
| C06 | C05 | C04 | 116.6° | 109.5° |
| C06 | C05 | H15 | 107.7° | 109.5° |
| C06 | C05 | H16 | 107.7° | 109.4° |
| C06 | C07 | C08 | 113.6° | 109.5° |
| C06 | C07 | H17 | 108.4° | 109.5° |
| C06 | C07 | H18 | 108.5° | 109.5° |
| C01 | C02 | C04 | 111.8° | 109.5° |
| C01 | C02 | O38 | 109.7° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.4° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C04 | C05 | 113.7° | 109.5° |
| C04 | C02 | O38 | 105.8° | 109.5° |
| C02 | C04 | H13 | 108.4° | 109.5° |
| C02 | C04 | H14 | 108.4° | 109.4° |
| C05 | C04 | H13 | 108.4° | 109.5° |
| C05 | C04 | H14 | 108.4° | 109.4° |
| C04 | C05 | H15 | 107.7° | 109.6° |
| C04 | C05 | H16 | 107.7° | 109.4° |
| C02 | O38 | H40 | 109.5° | 114.0° |
| O09 | C08 | O10 | 120.7° | 120.0° |
| O09 | C08 | C07 | 127.4° | 120.0° |
| C08 | O10 | C11 | 116.5° | 117.0° |
| O10 | C08 | C07 | 111.8° | 120.0° |
| O10 | C11 | H19 | 109.5° | 109.4° |
| O10 | C11 | H20 | 109.5° | 109.5° |
| O10 | C11 | H21 | 109.5° | 109.4° |
| C08 | C07 | H17 | 108.4° | 109.5° |
| C08 | C07 | H18 | 108.4° | 109.4° |
| H3 | C24 | H4 | 109.5° | 110.6° |
| H5 | C28 | H6 | 109.5° | 111.7° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.4° |
| H10 | C03 | H11 | 109.5° | 109.4° |
| H10 | C03 | H12 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.4° | 109.4° |
| H13 | C04 | H14 | 109.5° | 109.5° |
| H15 | C05 | H16 | 109.4° | 109.5° |
| H17 | C07 | H18 | 109.5° | 109.5° |
| H19 | C11 | H20 | 109.4° | 109.5° |
| H19 | C11 | H21 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 106.9° |
| H26 | C27 | H27 | 109.5° | 111.3° |
| H28 | C29 | H29 | 109.5° | 112.1° |
| H33 | C33 | H34 | 109.5° | 109.5° |
| H33 | C33 | H35 | 109.5° | 109.4° |
| H34 | C33 | H35 | 109.5° | 109.5° |
| H36 | C35 | H37 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C28 | C29 | H5 | 119.3° | 117.6° |
| C27 | C28 | C29 | H6 | 119.3° | 118.0° |
| C28 | C27 | C26 | H26 | 119.6° | 118.4° |
| C28 | C27 | C26 | H27 | 119.5° | 118.7° |
| C27 | C28 | C29 | N25 | 24.3° | 43.0° |
| C28 | C27 | C26 | N25 | 0.1° | 0.0° |
| C28 | C27 | C26 | C16 | 129.1° | 119.1° |
| C28 | C27 | C26 | C30 | 120.8° | 126.5° |
| C27 | C28 | H5 | H6 | 122.0° | 124.4° |
| C28 | C27 | H26 | H27 | 121.3° | 123.2° |
| C27 | C28 | C29 | H28 | 95.3° | 74.3° |
| C27 | C28 | C29 | H29 | 144.0° | 160.4° |
| C29 | C28 | C27 | C26 | 14.6° | 26.4° |
| C28 | C29 | N25 | H28 | 119.7° | 117.5° |
| C28 | C29 | N25 | H29 | 119.7° | 117.5° |
| C28 | C29 | N25 | C26 | 25.0° | 44.8° |
| C28 | C29 | N25 | C24 | 154.8° | 171.3° |
| C29 | C28 | H5 | H6 | 122.0° | 123.9° |
| C29 | C28 | C27 | H26 | 134.2° | 91.5° |
| C29 | C28 | C27 | H27 | 105.0° | 144.9° |
| C28 | C29 | H28 | H29 | 121.0° | 124.6° |
| C27 | C26 | N25 | C29 | 15.3° | 28.1° |
| C27 | C26 | N25 | C16 | 131.8° | 116.7° |
| C27 | C26 | N25 | C30 | 107.1° | 120.7° |
| C27 | C26 | C16 | C30 | 106.3° | 115.3° |
| C27 | C26 | N25 | C24 | 145.3° | 148.9° |
| C27 | C26 | C16 | C17 | 132.3° | 158.0° |
| C27 | C26 | C16 | C15 | 94.0° | 88.0° |
| C27 | C26 | C30 | C31 | 118.7° | 97.3° |
| C26 | C27 | C28 | H5 | 133.9° | 143.8° |
| C26 | C27 | C28 | H6 | 104.7° | 91.4° |
| C27 | C26 | C16 | H22 | 16.5° | 30.8° |
| C26 | C27 | H26 | H27 | 121.3° | 122.3° |
| C27 | C26 | C30 | H30 | 61.3° | 82.7° |
| C29 | N25 | C26 | C24 | 130.0° | 120.8° |
| C29 | N25 | C26 | C16 | 147.0° | 144.8° |
| C29 | N25 | C26 | C30 | 91.8° | 92.6° |
| C29 | N25 | C24 | C23 | 167.0° | 150.0° |
| C29 | N25 | C24 | H3 | 72.2° | 90.7° |
| C29 | N25 | C24 | H4 | 46.2° | 30.5° |
| N25 | C29 | C28 | H5 | 143.6° | 160.6° |
| N25 | C29 | C28 | H6 | 95.0° | 75.0° |
| N25 | C29 | H28 | H29 | 120.9° | 124.2° |
| N25 | C26 | C16 | C30 | 128.1° | 128.5° |
| N25 | C26 | C16 | C17 | 6.7° | 41.8° |
| N25 | C26 | C16 | C15 | 140.4° | 155.8° |
| N25 | C26 | C30 | C31 | 129.0° | 142.7° |
| C26 | N25 | C24 | C23 | 66.3° | 30.7° |
| C26 | N25 | C24 | H3 | 54.5° | 149.9° |
| C26 | N25 | C24 | H4 | 172.8° | 88.8° |
| N25 | C26 | C16 | H22 | 109.1° | 85.4° |
| N25 | C26 | C27 | H26 | 119.7° | 118.4° |
| N25 | C26 | C27 | H27 | 119.5° | 118.7° |
| C26 | N25 | C29 | H28 | 94.7° | 72.7° |
| C26 | N25 | C29 | H29 | 144.7° | 162.3° |
| N25 | C26 | C30 | H30 | 51.0° | 37.3° |
| C16 | C26 | N25 | C24 | 83.0° | 94.3° |
| C26 | C16 | C17 | C15 | 126.8° | 109.5° |
| C26 | C16 | C17 | H22 | 115.6° | 127.3° |
| C26 | C16 | C15 | H22 | 110.6° | 118.2° |
| C16 | C26 | C30 | C31 | 2.8° | 17.8° |
| C26 | C16 | C17 | C18 | 138.5° | 159.6° |
| C26 | C16 | C17 | C22 | 40.1° | 20.8° |
| C26 | C16 | C15 | C31 | 16.8° | 27.2° |
| C26 | C16 | C15 | O14 | 138.7° | 146.4° |
| C26 | C16 | C15 | H1 | 99.2° | 91.3° |
| C16 | C26 | C27 | H26 | 9.5° | 122.5° |
| C16 | C26 | C27 | H27 | 111.3° | 0.4° |
| C16 | C26 | C30 | H30 | 177.2° | 162.2° |
| C30 | C26 | N25 | C24 | 38.1° | 28.2° |
| C30 | C26 | C16 | C17 | 121.4° | 86.7° |
| C30 | C26 | C16 | C15 | 12.3° | 27.3° |
| C26 | C30 | C31 | H30 | 180.0° | 180.0° |
| C26 | C30 | C31 | C15 | 8.7° | 0.9° |
| C26 | C30 | C31 | O32 | 162.7° | 179.1° |
| C30 | C26 | C16 | H22 | 122.8° | 146.1° |
| C30 | C26 | C27 | H26 | 119.6° | 8.1° |
| C30 | C26 | C27 | H27 | 1.2° | 114.8° |
| N25 | C24 | C23 | H3 | 120.8° | 119.1° |
| N25 | C24 | C23 | H4 | 120.8° | 119.3° |
| N25 | C24 | C23 | C22 | 20.2° | 55.7° |
| N25 | C24 | H3 | H4 | 117.5° | 120.6° |
| N25 | C24 | C23 | H24 | 100.7° | 171.1° |
| N25 | C24 | C23 | H25 | 141.2° | 71.5° |
| C24 | N25 | C29 | H28 | 35.1° | 53.8° |
| C24 | N25 | C29 | H29 | 85.5° | 71.2° |
| C17 | C16 | C15 | H22 | 117.8° | 122.5° |
| C16 | C17 | C18 | C22 | 178.7° | 179.6° |
| C16 | C17 | C18 | C19 | 179.3° | 178.6° |
| C17 | C16 | C15 | C31 | 114.8° | 92.0° |
| C17 | C16 | C15 | O14 | 7.1° | 27.1° |
| C16 | C17 | C22 | C23 | 0.9° | 2.5° |
| C16 | C17 | C22 | C21 | 178.8° | 178.0° |
| C17 | C16 | C15 | H1 | 129.2° | 149.4° |
| C16 | C17 | C18 | H23 | 0.7° | 1.4° |
| C16 | C15 | C31 | C30 | 16.2° | 18.9° |
| C15 | C16 | C17 | C18 | 94.8° | 90.9° |
| C15 | C16 | C17 | C22 | 86.6° | 88.7° |
| C16 | C15 | C31 | O14 | 122.7° | 119.4° |
| C16 | C15 | C31 | H1 | 115.4° | 118.7° |
| C16 | C15 | O14 | H1 | 121.2° | 122.6° |
| C16 | C15 | C31 | O32 | 172.9° | 161.2° |
| C16 | C15 | O14 | C12 | 112.3° | 160.7° |
| C30 | C31 | C15 | O32 | 156.7° | 179.9° |
| C30 | C31 | C15 | O14 | 138.9° | 138.3° |
| C30 | C31 | O32 | C33 | 32.8° | 0.1° |
| C30 | C31 | C15 | H1 | 99.1° | 99.9° |
| C17 | C18 | C19 | H23 | 180.0° | 179.9° |
| C17 | C18 | C19 | O36 | 179.7° | 179.9° |
| C17 | C18 | C19 | C20 | 0.5° | 0.0° |
| C18 | C17 | C22 | C23 | 179.5° | 177.9° |
| C18 | C17 | C22 | C21 | 0.2° | 1.5° |
| C18 | C17 | C16 | H22 | 22.8° | 32.3° |
| C19 | C18 | C17 | C22 | 0.6° | 1.0° |
| C18 | C19 | O36 | C20 | 179.8° | 179.9° |
| C18 | C19 | O36 | C35 | 166.4° | 163.7° |
| C18 | C19 | C20 | C21 | 0.1° | 0.5° |
| C18 | C19 | C20 | O34 | 179.9° | 179.6° |
| C24 | C23 | C22 | C17 | 56.9° | 68.3° |
| C24 | C23 | C22 | H24 | 120.9° | 115.1° |
| C24 | C23 | C22 | H25 | 120.9° | 127.7° |
| C24 | C23 | C22 | C21 | 122.8° | 111.2° |
| C23 | C24 | H3 | H4 | 117.5° | 121.1° |
| C24 | C23 | H24 | H25 | 117.0° | 121.8° |
| C17 | C22 | C23 | C21 | 179.7° | 179.5° |
| C17 | C22 | C21 | C20 | 0.2° | 1.1° |
| C17 | C22 | C21 | H2 | 179.8° | 178.9° |
| C22 | C17 | C16 | H22 | 155.7° | 148.1° |
| C22 | C17 | C18 | H23 | 179.4° | 178.9° |
| C17 | C22 | C23 | H24 | 64.0° | 176.5° |
| C17 | C22 | C23 | H25 | 177.9° | 59.4° |
| C31 | C15 | O14 | H1 | 121.5° | 121.9° |
| C15 | C31 | O32 | C33 | 174.1° | 180.0° |
| C31 | C15 | O14 | C12 | 4.9° | 83.9° |
| C31 | C15 | C16 | H22 | 127.4° | 145.5° |
| C15 | C31 | C30 | H30 | 171.3° | 179.1° |
| O14 | C15 | C31 | O32 | 64.4° | 41.7° |
| C15 | O14 | C12 | O13 | 60.4° | 2.0° |
| C15 | O14 | C12 | C06 | 121.9° | 178.1° |
| O14 | C15 | C16 | H22 | 110.7° | 95.4° |
| O32 | C31 | C15 | H1 | 57.6° | 80.1° |
| O32 | C31 | C30 | H30 | 17.3° | 0.9° |
| C31 | O32 | C33 | H33 | 180.0° | 60.1° |
| C31 | O32 | C33 | H34 | 60.0° | 59.9° |
| C31 | O32 | C33 | H35 | 60.0° | 180.0° |
| O36 | C19 | C20 | C21 | 179.9° | 179.6° |
| O36 | C19 | C20 | O34 | 0.3° | 0.3° |
| C19 | O36 | C35 | O34 | 22.0° | 25.2° |
| O36 | C19 | C18 | H23 | 0.3° | 0.2° |
| C19 | O36 | C35 | H36 | 141.6° | 93.6° |
| C19 | O36 | C35 | H37 | 97.6° | 143.9° |
| C35 | O36 | C19 | C20 | 13.8° | 16.2° |
| O36 | C35 | O34 | C20 | 21.8° | 25.0° |
| O36 | C35 | O34 | H36 | 119.6° | 118.8° |
| O36 | C35 | O34 | H37 | 119.6° | 118.7° |
| O36 | C35 | H36 | H37 | 121.2° | 122.6° |
| C19 | C20 | C21 | C22 | 0.2° | 0.1° |
| C19 | C20 | C21 | O34 | 179.7° | 179.9° |
| C19 | C20 | O34 | C35 | 13.4° | 15.8° |
| C19 | C20 | C21 | H2 | 179.8° | 179.9° |
| C20 | C19 | C18 | H23 | 179.4° | 179.9° |
| O32 | C33 | H33 | H34 | 120.0° | 120.1° |
| O32 | C33 | H33 | H35 | 120.0° | 120.0° |
| O32 | C33 | H34 | H35 | 120.0° | 120.1° |
| C23 | C22 | C21 | C20 | 179.9° | 178.5° |
| C23 | C22 | C21 | H2 | 0.1° | 1.5° |
| C22 | C23 | C24 | H3 | 141.0° | 63.4° |
| C22 | C23 | C24 | H4 | 100.6° | 175.0° |
| C22 | C23 | H24 | H25 | 117.0° | 121.0° |
| C22 | C21 | C20 | H2 | 180.0° | 180.0° |
| C22 | C21 | C20 | O34 | 179.5° | 179.8° |
| C21 | C22 | C23 | H24 | 116.3° | 3.9° |
| C21 | C22 | C23 | H25 | 1.9° | 121.1° |
| C21 | C20 | O34 | C35 | 166.4° | 164.3° |
| O34 | C20 | C21 | H2 | 0.5° | 0.1° |
| C20 | O34 | C35 | H36 | 141.4° | 93.8° |
| C20 | O34 | C35 | H37 | 97.8° | 143.7° |
| O14 | C12 | O13 | C06 | 177.7° | 180.0° |
| O14 | C12 | C06 | O37 | 2.5° | 18.5° |
| O14 | C12 | C06 | C05 | 90.4° | 138.4° |
| O14 | C12 | C06 | C07 | 171.5° | 101.5° |
| C12 | O14 | C15 | H1 | 126.4° | 38.1° |
| O34 | C35 | H36 | H37 | 121.1° | 122.5° |
| O13 | C12 | C06 | O37 | 179.8° | 161.5° |
| O13 | C12 | C06 | C05 | 87.3° | 41.5° |
| O13 | C12 | C06 | C07 | 10.8° | 78.5° |
| C12 | C06 | O37 | C05 | 96.6° | 120.0° |
| C12 | C06 | O37 | C07 | 168.1° | 120.0° |
| C12 | C06 | C05 | C07 | 115.5° | 120.0° |
| C12 | C06 | C05 | C04 | 62.3° | 175.0° |
| C12 | C06 | C07 | C08 | 66.8° | 61.6° |
| C12 | C06 | C05 | H15 | 176.6° | 64.9° |
| C12 | C06 | C05 | H16 | 58.7° | 55.0° |
| C12 | C06 | C07 | H17 | 53.8° | 58.5° |
| C12 | C06 | C07 | H18 | 172.5° | 178.5° |
| C12 | C06 | O37 | H39 | 180.0° | 60.0° |
| O37 | C06 | C05 | C07 | 123.4° | 120.0° |
| O37 | C06 | C05 | C04 | 58.7° | 65.0° |
| O37 | C06 | C07 | C08 | 101.9° | 58.4° |
| O37 | C06 | C05 | H15 | 62.3° | 55.0° |
| O37 | C06 | C05 | H16 | 179.8° | 175.0° |
| O37 | C06 | C07 | H17 | 137.5° | 178.4° |
| O37 | C06 | C07 | H18 | 18.7° | 61.6° |
| C03 | C02 | C01 | C04 | 124.2° | 120.0° |
| C03 | C02 | C01 | O38 | 118.7° | 120.0° |
| C03 | C02 | C04 | O38 | 119.6° | 120.0° |
| C03 | C02 | C04 | C05 | 173.9° | 55.1° |
| C03 | C02 | C01 | H7 | 180.0° | 180.0° |
| C03 | C02 | C01 | H8 | 60.0° | 60.0° |
| C03 | C02 | C01 | H9 | 60.0° | 60.0° |
| C02 | C03 | H10 | H11 | 120.0° | 120.0° |
| C02 | C03 | H10 | H12 | 120.0° | 120.1° |
| C02 | C03 | H11 | H12 | 120.0° | 120.0° |
| C03 | C02 | C04 | H13 | 53.3° | 65.0° |
| C03 | C02 | C04 | H14 | 65.4° | 175.0° |
| C03 | C02 | O38 | H40 | 180.0° | 60.0° |
| C06 | C05 | C04 | C02 | 138.8° | NaN° |
| C06 | C05 | C04 | H15 | 121.1° | 120.0° |
| C06 | C05 | C04 | H16 | 121.1° | 119.9° |
| C05 | C06 | C07 | C08 | 165.6° | 178.4° |
| C06 | C05 | C04 | H13 | 100.6° | 60.0° |
| C06 | C05 | C04 | H14 | 18.2° | 60.1° |
| C06 | C05 | H15 | H16 | 116.8° | 119.9° |
| C05 | C06 | C07 | H17 | 45.1° | 61.6° |
| C05 | C06 | C07 | H18 | 73.7° | 58.4° |
| C05 | C06 | O37 | H39 | 83.4° | 60.0° |
| C07 | C06 | C05 | C04 | 177.8° | 54.9° |
| C06 | C07 | C08 | O09 | 94.4° | 6.0° |
| C06 | C07 | C08 | O10 | 85.7° | 173.9° |
| C06 | C07 | C08 | H17 | 120.6° | 120.0° |
| C06 | C07 | C08 | H18 | 120.6° | 120.0° |
| C07 | C06 | C05 | H15 | 61.1° | 175.0° |
| C07 | C06 | C05 | H16 | 56.8° | 65.0° |
| C06 | C07 | H17 | H18 | 118.2° | 120.0° |
| C07 | C06 | O37 | H39 | 11.9° | 180.0° |
| C01 | C02 | C04 | O38 | 119.4° | 120.1° |
| C01 | C02 | C04 | C05 | 65.1° | 175.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | C02 | C03 | H10 | 180.0° | 60.0° |
| C01 | C02 | C03 | H11 | 60.0° | 180.0° |
| C01 | C02 | C03 | H12 | 60.0° | 60.0° |
| C01 | C02 | C04 | H13 | 174.3° | 55.0° |
| C01 | C02 | C04 | H14 | 55.5° | 65.0° |
| C01 | C02 | O38 | H40 | 62.6° | 60.0° |
| C02 | C04 | C05 | H13 | 120.6° | 120.0° |
| C02 | C04 | C05 | H14 | 120.6° | 119.9° |
| C04 | C02 | C01 | H7 | 55.8° | 60.1° |
| C04 | C02 | C01 | H8 | 64.2° | 60.0° |
| C04 | C02 | C01 | H9 | 175.8° | 179.9° |
| C04 | C02 | C03 | H10 | 56.5° | 59.9° |
| C04 | C02 | C03 | H11 | 176.5° | 60.0° |
| C04 | C02 | C03 | H12 | 63.6° | 180.0° |
| C02 | C04 | H13 | H14 | 118.0° | 120.0° |
| C02 | C04 | C05 | H15 | 100.1° | 60.0° |
| C02 | C04 | C05 | H16 | 17.8° | 60.1° |
| C04 | C02 | O38 | H40 | 58.2° | 180.0° |
| C05 | C04 | C02 | O38 | 54.3° | 64.9° |
| C05 | C04 | H13 | H14 | 118.1° | 120.0° |
| C04 | C05 | H15 | H16 | 116.8° | 120.0° |
| O38 | C02 | C01 | H7 | 61.3° | 60.0° |
| O38 | C02 | C01 | H8 | 178.7° | 180.0° |
| O38 | C02 | C01 | H9 | 58.7° | 60.0° |
| O38 | C02 | C03 | H10 | 61.1° | 179.9° |
| O38 | C02 | C03 | H11 | 58.9° | 60.0° |
| O38 | C02 | C03 | H12 | 178.9° | 60.0° |
| O38 | C02 | C04 | H13 | 66.3° | 175.0° |
| O38 | C02 | C04 | H14 | 175.0° | 55.0° |
| O09 | C08 | O10 | C07 | 180.0° | 180.0° |
| O09 | C08 | O10 | C11 | 69.2° | 5.0° |
| O09 | C08 | C07 | H17 | 26.2° | 126.0° |
| O09 | C08 | C07 | H18 | 145.0° | 114.0° |
| O10 | C08 | C07 | H17 | 153.7° | 53.9° |
| O10 | C08 | C07 | H18 | 35.0° | 66.1° |
| C08 | O10 | C11 | H19 | 180.0° | 64.9° |
| C08 | O10 | C11 | H20 | 60.0° | 175.1° |
| C08 | O10 | C11 | H21 | 60.0° | 55.1° |
| C11 | O10 | C08 | C07 | 110.7° | 174.9° |
| O10 | C11 | H19 | H20 | 120.0° | 120.0° |
| O10 | C11 | H19 | H21 | 120.0° | 119.9° |
| O10 | C11 | H20 | H21 | 120.0° | 120.0° |
| C08 | C07 | H17 | H18 | 118.1° | 120.0° |
| H1 | C15 | C16 | H22 | 11.4° | 26.9° |
| H3 | C24 | C23 | H24 | 20.1° | 51.9° |
| H3 | C24 | C23 | H25 | 98.0° | 169.4° |
| H4 | C24 | C23 | H24 | 138.4° | 69.6° |
| H4 | C24 | C23 | H25 | 20.4° | 47.8° |
| H5 | C28 | C27 | H26 | 106.5° | 25.9° |
| H5 | C28 | C27 | H27 | 14.3° | 97.8° |
| H5 | C28 | C29 | H28 | 24.0° | 43.3° |
| H5 | C28 | C29 | H29 | 96.7° | 82.0° |
| H6 | C28 | C27 | H26 | 14.9° | 150.7° |
| H6 | C28 | C27 | H27 | 135.7° | 27.0° |
| H6 | C28 | C29 | H28 | 145.4° | 167.7° |
| H6 | C28 | C29 | H29 | 24.7° | 42.4° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H10 | C03 | H11 | H12 | 120.0° | 120.0° |
| H13 | C04 | C05 | H15 | 20.5° | 180.0° |
| H13 | C04 | C05 | H16 | 138.4° | 59.9° |
| H14 | C04 | C05 | H15 | 139.3° | 59.9° |
| H14 | C04 | C05 | H16 | 102.8° | 180.0° |
| H19 | C11 | H20 | H21 | 120.0° | 120.1° |
| H33 | C33 | H34 | H35 | 120.0° | 119.9° |
