YR7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | F20 | sing | 1.40Å | 1.37Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | N16 | sing | 1.47Å | 1.20Å | |
| N16 | C15 | sing | 1.47Å | 1.44Å | |
| N16 | C21 | sing | 1.47Å | 1.45Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C13 | sing | 1.53Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.44Å | |
| C13 | N12 | sing | 1.47Å | 1.48Å | |
| N12 | C11 | sing | 1.35Å | 1.46Å | |
| C24 | N25 | doub | 1.32Å | 1.33Å | Aromatic |
| C24 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.47Å | 1.55Å | |
| C11 | O23 | doub | 1.22Å | 1.19Å | |
| N25 | C26 | sing | 1.33Å | 1.32Å | Aromatic |
| C10 | C09 | doub | 1.41Å | 1.37Å | Aromatic |
| C26 | N32 | doub | 1.32Å | 1.32Å | Aromatic |
| C26 | N27 | sing | 1.38Å | 1.47Å | |
| C09 | N32 | sing | 1.33Å | 1.32Å | Aromatic |
| C09 | N08 | sing | 1.38Å | 1.44Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| N27 | C28 | sing | 1.47Å | 1.47Å | |
| N08 | C07 | sing | 1.47Å | 1.45Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C05 | C02 | sing | 1.53Å | 1.53Å | |
| C07 | C04 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C02 | O01 | sing | 1.43Å | 1.41Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| N12 | H11 | sing | 0.97Å | 1.00Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| N08 | H37 | sing | 0.97Å | 1.00Å | |
| N27 | H39 | sing | 0.97Å | 1.00Å | |
| O01 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | F20 | 108.1° | 109.5° |
| C19 | C18 | C17 | 110.7° | 109.5° |
| C19 | C18 | H19 | 109.2° | 109.5° |
| C19 | C18 | H20 | 109.2° | 109.4° |
| C18 | C19 | H21 | 109.8° | 109.4° |
| C18 | C19 | H22 | 109.8° | 109.5° |
| F20 | C19 | H21 | 109.8° | 109.5° |
| F20 | C19 | H22 | 109.8° | 109.5° |
| C18 | C17 | N16 | 108.6° | 109.5° |
| C18 | C17 | H17 | 109.7° | 109.5° |
| C18 | C17 | H18 | 109.7° | 109.5° |
| C17 | C18 | H19 | 109.2° | 109.5° |
| C17 | C18 | H20 | 109.2° | 109.5° |
| C17 | N16 | C15 | 109.5° | 111.1° |
| C17 | N16 | C21 | 111.4° | 111.0° |
| N16 | C17 | H17 | 109.7° | 109.5° |
| N16 | C17 | H18 | 109.7° | 109.4° |
| C15 | N16 | C21 | 115.2° | 111.1° |
| N16 | C15 | C14 | 109.2° | 109.6° |
| N16 | C15 | H15 | 109.5° | 109.5° |
| N16 | C15 | H16 | 109.5° | 109.4° |
| N16 | C21 | C22 | 114.0° | 109.5° |
| N16 | C21 | H23 | 108.3° | 109.5° |
| N16 | C21 | H24 | 108.3° | 109.5° |
| C15 | C14 | C13 | 109.2° | 109.2° |
| C15 | C14 | H13 | 109.5° | 109.5° |
| C15 | C14 | H14 | 109.5° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H16 | 109.5° | 109.5° |
| C21 | C22 | C13 | 113.9° | 109.3° |
| C22 | C21 | H23 | 108.3° | 109.4° |
| C22 | C21 | H24 | 108.3° | 109.4° |
| C21 | C22 | H25 | 108.4° | 109.6° |
| C21 | C22 | H26 | 108.3° | 109.5° |
| C22 | C13 | C14 | 115.6° | 109.2° |
| C22 | C13 | N12 | 112.2° | 109.5° |
| C22 | C13 | H12 | 107.5° | 109.6° |
| C13 | C22 | H25 | 108.4° | 109.5° |
| C13 | C22 | H26 | 108.4° | 109.5° |
| C14 | C13 | N12 | 106.3° | 109.5° |
| C14 | C13 | H12 | 107.6° | 109.6° |
| C13 | C14 | H13 | 109.5° | 109.5° |
| C13 | C14 | H14 | 109.6° | 109.5° |
| C13 | N12 | C11 | 111.7° | 120.0° |
| C13 | N12 | H11 | 124.1° | 120.1° |
| N12 | C13 | H12 | 107.1° | 109.5° |
| N12 | C11 | C10 | 122.3° | 120.0° |
| N12 | C11 | O23 | 117.5° | 120.0° |
| C11 | N12 | H11 | 124.2° | 120.0° |
| N25 | C24 | C10 | 120.6° | 119.1° |
| C24 | N25 | C26 | 118.9° | 121.1° |
| N25 | C24 | H27 | 119.7° | 120.4° |
| C24 | C10 | C11 | 124.8° | 120.9° |
| C24 | C10 | C09 | 117.1° | 118.2° |
| C10 | C24 | H27 | 119.7° | 120.5° |
| C10 | C11 | O23 | 120.2° | 120.0° |
| C11 | C10 | C09 | 118.0° | 120.9° |
| N25 | C26 | N32 | 122.7° | 122.0° |
| N25 | C26 | N27 | 121.3° | 119.0° |
| C10 | C09 | N32 | 120.6° | 118.8° |
| C10 | C09 | N08 | 119.5° | 120.6° |
| N32 | C26 | N27 | 116.0° | 119.0° |
| C26 | N32 | C09 | 120.0° | 120.8° |
| C26 | N27 | C28 | 114.2° | 120.0° |
| C26 | N27 | H39 | 108.3° | 120.0° |
| N32 | C09 | N08 | 119.9° | 120.6° |
| C09 | N08 | C07 | 113.2° | 120.0° |
| C09 | N08 | H37 | 108.5° | 120.0° |
| C05 | C06 | C07 | 112.8° | 109.5° |
| C06 | C05 | C02 | 110.5° | 109.5° |
| C06 | C05 | H6 | 109.2° | 109.5° |
| C06 | C05 | H7 | 109.2° | 109.5° |
| C05 | C06 | H8 | 108.6° | 109.4° |
| C05 | C06 | H9 | 108.6° | 109.4° |
| C06 | C07 | N08 | 108.7° | 109.5° |
| C06 | C07 | C04 | 115.6° | 109.5° |
| C07 | C06 | H8 | 108.6° | 109.5° |
| C07 | C06 | H9 | 108.6° | 109.5° |
| C06 | C07 | H10 | 107.4° | 109.5° |
| N27 | C28 | C29 | 110.7° | 109.5° |
| N27 | C28 | H28 | 109.2° | 109.5° |
| N27 | C28 | H29 | 109.2° | 109.5° |
| C28 | N27 | H39 | 108.3° | 120.0° |
| N08 | C07 | C04 | 108.8° | 109.5° |
| N08 | C07 | H10 | 108.5° | 109.5° |
| C07 | N08 | H37 | 108.5° | 120.0° |
| C28 | C29 | C30 | 111.1° | 109.5° |
| C29 | C28 | H28 | 109.2° | 109.5° |
| C29 | C28 | H29 | 109.1° | 109.5° |
| C28 | C29 | H30 | 109.1° | 109.4° |
| C28 | C29 | H31 | 109.1° | 109.5° |
| C29 | C30 | C31 | 110.9° | 109.5° |
| C30 | C29 | H30 | 109.1° | 109.5° |
| C30 | C29 | H31 | 109.0° | 109.5° |
| C29 | C30 | H32 | 109.1° | 109.4° |
| C29 | C30 | H33 | 109.1° | 109.5° |
| C05 | C02 | O01 | 110.1° | 109.5° |
| C05 | C02 | C03 | 112.0° | 109.5° |
| C05 | C02 | H1 | 108.0° | 109.4° |
| C02 | C05 | H6 | 109.2° | 109.4° |
| C02 | C05 | H7 | 109.2° | 109.5° |
| C07 | C04 | C03 | 111.6° | 109.5° |
| C07 | C04 | H4 | 108.9° | 109.5° |
| C07 | C04 | H5 | 108.9° | 109.5° |
| C04 | C07 | H10 | 107.5° | 109.4° |
| C31 | C30 | H32 | 109.1° | 109.5° |
| C31 | C30 | H33 | 109.1° | 109.5° |
| C30 | C31 | H34 | 109.5° | 109.5° |
| C30 | C31 | H35 | 109.5° | 109.4° |
| C30 | C31 | H36 | 109.4° | 109.5° |
| O01 | C02 | C03 | 109.2° | 109.5° |
| O01 | C02 | H1 | 109.6° | 109.5° |
| C02 | O01 | H40 | 109.5° | 114.1° |
| C02 | C03 | C04 | 111.2° | 109.5° |
| C03 | C02 | H1 | 108.0° | 109.4° |
| C02 | C03 | H2 | 109.1° | 109.4° |
| C02 | C03 | H3 | 109.0° | 109.4° |
| C04 | C03 | H2 | 109.0° | 109.5° |
| C04 | C03 | H3 | 109.0° | 109.5° |
| C03 | C04 | H4 | 108.9° | 109.5° |
| C03 | C04 | H5 | 108.9° | 109.4° |
| H2 | C03 | H3 | 109.5° | 109.4° |
| H4 | C04 | H5 | 109.5° | 109.4° |
| H6 | C05 | H7 | 109.5° | 109.5° |
| H8 | C06 | H9 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.4° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.4° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H25 | C22 | H26 | 109.4° | 109.5° |
| H28 | C28 | H29 | 109.5° | 109.5° |
| H30 | C29 | H31 | 109.5° | 109.4° |
| H32 | C30 | H33 | 109.5° | 109.5° |
| H34 | C31 | H35 | 109.4° | 109.5° |
| H34 | C31 | H36 | 109.5° | 109.5° |
| H35 | C31 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | F20 | H21 | 119.8° | 119.9° |
| C18 | C19 | F20 | H22 | 119.8° | 120.0° |
| C19 | C18 | C17 | H19 | 120.2° | 120.0° |
| C19 | C18 | C17 | H20 | 120.2° | 120.0° |
| C19 | C18 | C17 | N16 | 177.4° | 180.0° |
| C19 | C18 | C17 | H17 | 57.5° | 60.0° |
| C19 | C18 | C17 | H18 | 62.8° | 60.1° |
| C19 | C18 | H19 | H20 | 119.5° | 120.0° |
| C18 | C19 | H21 | H22 | 120.6° | 119.9° |
| F20 | C19 | C18 | C17 | 47.0° | 180.0° |
| F20 | C19 | C18 | H19 | 167.2° | 60.0° |
| F20 | C19 | C18 | H20 | 73.2° | 60.0° |
| F20 | C19 | H21 | H22 | 120.7° | 120.1° |
| C18 | C17 | N16 | H17 | 119.9° | 120.0° |
| C18 | C17 | N16 | H18 | 119.9° | 120.0° |
| C18 | C17 | N16 | C15 | 92.1° | 170.0° |
| C18 | C17 | N16 | C21 | 139.3° | 65.8° |
| C18 | C17 | H17 | H18 | 120.4° | 120.0° |
| C17 | C18 | H19 | H20 | 119.4° | 120.0° |
| C17 | C18 | C19 | H21 | 166.8° | 60.0° |
| C17 | C18 | C19 | H22 | 72.8° | 60.0° |
| C17 | N16 | C15 | C21 | 126.5° | 124.1° |
| C17 | N16 | C15 | C14 | 86.4° | 174.1° |
| C17 | N16 | C21 | C22 | 139.7° | 174.1° |
| C17 | N16 | C15 | H15 | 153.6° | 65.8° |
| C17 | N16 | C15 | H16 | 33.5° | 54.1° |
| N16 | C17 | H17 | H18 | 120.4° | 119.9° |
| N16 | C17 | C18 | H19 | 62.5° | 60.0° |
| N16 | C17 | C18 | H20 | 57.2° | 60.0° |
| C17 | N16 | C21 | H23 | 19.1° | 54.1° |
| C17 | N16 | C21 | H24 | 99.7° | 65.9° |
| N16 | C15 | C14 | H15 | 120.0° | 120.1° |
| N16 | C15 | C14 | H16 | 120.0° | 120.0° |
| C15 | N16 | C21 | C22 | 14.2° | 61.8° |
| N16 | C15 | C14 | C13 | 67.9° | 59.2° |
| N16 | C15 | C14 | H13 | 172.1° | 179.1° |
| N16 | C15 | C14 | H14 | 52.0° | 60.7° |
| N16 | C15 | H15 | H16 | 120.1° | 119.9° |
| C15 | N16 | C17 | H17 | 27.8° | 50.0° |
| C15 | N16 | C17 | H18 | 148.0° | 70.0° |
| C15 | N16 | C21 | H23 | 106.4° | 178.3° |
| C15 | N16 | C21 | H24 | 134.9° | 58.2° |
| C21 | N16 | C15 | C14 | 40.0° | 61.8° |
| N16 | C21 | C22 | H23 | 120.6° | 120.0° |
| N16 | C21 | C22 | H24 | 120.7° | 120.0° |
| N16 | C21 | C22 | C13 | 46.1° | 59.2° |
| C21 | N16 | C15 | H15 | 79.9° | 58.3° |
| C21 | N16 | C15 | H16 | 160.0° | 178.2° |
| C21 | N16 | C17 | H17 | 100.8° | 174.2° |
| C21 | N16 | C17 | H18 | 19.5° | 54.2° |
| N16 | C21 | H23 | H24 | 118.0° | 120.1° |
| N16 | C21 | C22 | H25 | 166.8° | 60.8° |
| N16 | C21 | C22 | H26 | 74.5° | 179.1° |
| C15 | C14 | C13 | C22 | 35.9° | 57.7° |
| C15 | C14 | C13 | H13 | 120.0° | 119.9° |
| C15 | C14 | C13 | H14 | 120.0° | 120.0° |
| C15 | C14 | C13 | N12 | 89.4° | 177.5° |
| C15 | C14 | C13 | H12 | 156.1° | 62.4° |
| C15 | C14 | H13 | H14 | 120.1° | 120.1° |
| C14 | C15 | H15 | H16 | 120.1° | 119.9° |
| C21 | C22 | C13 | H25 | 120.7° | 120.0° |
| C21 | C22 | C13 | H26 | 120.6° | 119.9° |
| C21 | C22 | C13 | C14 | 18.1° | 57.7° |
| C21 | C22 | C13 | N12 | 140.3° | 177.5° |
| C21 | C22 | C13 | H12 | 102.1° | 62.3° |
| C22 | C21 | H23 | H24 | 117.9° | 119.9° |
| C21 | C22 | H25 | H26 | 118.0° | 120.1° |
| C22 | C13 | C14 | N12 | 125.3° | 119.9° |
| C22 | C13 | C14 | H12 | 120.2° | 120.0° |
| C22 | C13 | N12 | H12 | 117.8° | 120.2° |
| C22 | C13 | N12 | C11 | 96.5° | 85.2° |
| C22 | C13 | N12 | H11 | 83.5° | 94.9° |
| C22 | C13 | C14 | H13 | 155.9° | 177.6° |
| C22 | C13 | C14 | H14 | 84.0° | 62.3° |
| C13 | C22 | C21 | H23 | 74.5° | 179.2° |
| C13 | C22 | C21 | H24 | 166.8° | 60.8° |
| C13 | C22 | H25 | H26 | 118.0° | 120.1° |
| C14 | C13 | N12 | H12 | 114.9° | 120.2° |
| C14 | C13 | N12 | C11 | 136.2° | 155.1° |
| C14 | C13 | N12 | H11 | 43.8° | 24.8° |
| C13 | C14 | H13 | H14 | 120.1° | 120.1° |
| C13 | C14 | C15 | H15 | 52.0° | 60.9° |
| C13 | C14 | C15 | H16 | 172.1° | 179.2° |
| C14 | C13 | C22 | H25 | 138.8° | 62.3° |
| C14 | C13 | C22 | H26 | 102.5° | 177.6° |
| C13 | N12 | C11 | H11 | 180.0° | 179.9° |
| C13 | N12 | C11 | C10 | 178.7° | 180.0° |
| C13 | N12 | C11 | O23 | 1.0° | 0.1° |
| N12 | C13 | C14 | H13 | 30.6° | 62.6° |
| N12 | C13 | C14 | H14 | 150.6° | 57.6° |
| N12 | C13 | C22 | H25 | 99.0° | 57.6° |
| N12 | C13 | C22 | H26 | 19.7° | 62.5° |
| N12 | C11 | C10 | C24 | 12.6° | 5.7° |
| N12 | C11 | C10 | O23 | 179.7° | 179.9° |
| N12 | C11 | C10 | C09 | 170.0° | 174.3° |
| C11 | N12 | C13 | H12 | 21.3° | 35.0° |
| N25 | C24 | C10 | H27 | 180.0° | 180.0° |
| N25 | C24 | C10 | C11 | 179.5° | 180.0° |
| N25 | C24 | C10 | C09 | 2.0° | 0.0° |
| C24 | N25 | C26 | N32 | 0.4° | 0.0° |
| C24 | N25 | C26 | N27 | 179.8° | 180.0° |
| C24 | C10 | C11 | C09 | 177.4° | 180.0° |
| C24 | C10 | C11 | O23 | 167.1° | 174.4° |
| C10 | C24 | N25 | C26 | 1.3° | 0.0° |
| C24 | C10 | C09 | N32 | 1.9° | 0.0° |
| C24 | C10 | C09 | N08 | 179.5° | 179.7° |
| C11 | C10 | C09 | N32 | 179.5° | 179.9° |
| C11 | C10 | C09 | N08 | 1.9° | 0.3° |
| C10 | C11 | N12 | H11 | 1.3° | 0.1° |
| C11 | C10 | C24 | H27 | 0.5° | 0.0° |
| O23 | C11 | C10 | C09 | 10.4° | 5.6° |
| O23 | C11 | N12 | H11 | 179.0° | 180.0° |
| N25 | C26 | N32 | N27 | 179.8° | 180.0° |
| N25 | C26 | N32 | C09 | 0.3° | 0.0° |
| N25 | C26 | N27 | C28 | 174.8° | 0.0° |
| C26 | N25 | C24 | H27 | 178.7° | 180.0° |
| N25 | C26 | N27 | H39 | 54.2° | 180.0° |
| C10 | C09 | N32 | C26 | 1.1° | 0.0° |
| C10 | C09 | N32 | N08 | 178.6° | 179.8° |
| C10 | C09 | N08 | C07 | 161.1° | 174.6° |
| C09 | C10 | C24 | H27 | 178.0° | 180.0° |
| C10 | C09 | N08 | H37 | 78.4° | 5.3° |
| C26 | N32 | C09 | N08 | 179.7° | 179.7° |
| N32 | C26 | N27 | C28 | 5.0° | 180.0° |
| N32 | C26 | N27 | H39 | 125.7° | 0.0° |
| N27 | C26 | N32 | C09 | 179.9° | 180.0° |
| C26 | N27 | C28 | H39 | 120.7° | 180.0° |
| C26 | N27 | C28 | C29 | 97.8° | 180.0° |
| C26 | N27 | C28 | H28 | 142.0° | 59.9° |
| C26 | N27 | C28 | H29 | 22.4° | 60.0° |
| N32 | C09 | N08 | C07 | 17.5° | 5.2° |
| N32 | C09 | N08 | H37 | 103.0° | 174.9° |
| C09 | N08 | C07 | C06 | 99.2° | 155.0° |
| C09 | N08 | C07 | H37 | 120.5° | 179.9° |
| C09 | N08 | C07 | C04 | 134.1° | 85.0° |
| C09 | N08 | C07 | H10 | 17.3° | 34.9° |
| C05 | C06 | C07 | H8 | 120.5° | 120.0° |
| C05 | C06 | C07 | H9 | 120.5° | 120.0° |
| C05 | C06 | C07 | N08 | 169.0° | 180.0° |
| C06 | C05 | C02 | H6 | 120.1° | 120.0° |
| C06 | C05 | C02 | H7 | 120.2° | 120.0° |
| C05 | C06 | C07 | C04 | 46.3° | 60.0° |
| C06 | C05 | C02 | O01 | 179.2° | 180.0° |
| C06 | C05 | C02 | C03 | 57.6° | 59.9° |
| C06 | C05 | C02 | H1 | 61.2° | 60.0° |
| C06 | C05 | H6 | H7 | 119.6° | 120.0° |
| C05 | C06 | H8 | H9 | 118.5° | 119.9° |
| C05 | C06 | C07 | H10 | 73.7° | 60.0° |
| C06 | C07 | N08 | C04 | 126.7° | 120.0° |
| C06 | C07 | N08 | H10 | 116.6° | 120.1° |
| C07 | C06 | C05 | C02 | 50.4° | 60.0° |
| C06 | C07 | C04 | H10 | 120.0° | 120.0° |
| C06 | C07 | C04 | C03 | 46.5° | 60.0° |
| C06 | C07 | C04 | H4 | 166.8° | 60.0° |
| C06 | C07 | C04 | H5 | 73.8° | 180.0° |
| C07 | C06 | C05 | H6 | 170.5° | 60.0° |
| C07 | C06 | C05 | H7 | 69.8° | 180.0° |
| C07 | C06 | H8 | H9 | 118.5° | 120.1° |
| C06 | C07 | N08 | H37 | 140.2° | 24.9° |
| N27 | C28 | C29 | H28 | 120.2° | 120.0° |
| N27 | C28 | C29 | H29 | 120.2° | 120.0° |
| N27 | C28 | C29 | C30 | 170.2° | 180.0° |
| N27 | C28 | H28 | H29 | 119.5° | 120.0° |
| N27 | C28 | C29 | H30 | 69.5° | 60.0° |
| N27 | C28 | C29 | H31 | 50.0° | 60.0° |
| N08 | C07 | C04 | H10 | 117.3° | 119.9° |
| N08 | C07 | C04 | C03 | 169.2° | 180.0° |
| N08 | C07 | C04 | H4 | 70.5° | 60.0° |
| N08 | C07 | C04 | H5 | 48.9° | 60.0° |
| N08 | C07 | C06 | H8 | 70.5° | 60.0° |
| N08 | C07 | C06 | H9 | 48.5° | 60.0° |
| C28 | C29 | C30 | H30 | 120.3° | 120.0° |
| C28 | C29 | C30 | H31 | 120.3° | 120.0° |
| C28 | C29 | C30 | C31 | 42.6° | NaN° |
| C29 | C28 | H28 | H29 | 119.4° | 120.0° |
| C28 | C29 | H30 | H31 | 119.3° | 120.0° |
| C28 | C29 | C30 | H32 | 162.8° | 60.0° |
| C28 | C29 | C30 | H33 | 77.6° | 60.0° |
| C29 | C28 | N27 | H39 | 22.9° | 0.0° |
| C29 | C30 | C31 | H32 | 120.2° | 120.0° |
| C29 | C30 | C31 | H33 | 120.2° | 120.0° |
| C30 | C29 | C28 | H28 | 50.1° | 60.0° |
| C30 | C29 | C28 | H29 | 69.6° | 60.0° |
| C30 | C29 | H30 | H31 | 119.2° | 120.1° |
| C29 | C30 | H32 | H33 | 119.3° | 120.0° |
| C29 | C30 | C31 | H34 | 180.0° | 180.0° |
| C29 | C30 | C31 | H35 | 60.0° | 60.0° |
| C29 | C30 | C31 | H36 | 60.0° | 60.0° |
| C05 | C02 | O01 | C03 | 123.3° | 120.0° |
| C05 | C02 | O01 | H1 | 118.7° | 120.0° |
| C05 | C02 | C03 | H1 | 118.8° | 119.9° |
| C05 | C02 | C03 | C04 | 58.8° | 59.9° |
| C05 | C02 | C03 | H2 | 179.1° | 180.0° |
| C05 | C02 | C03 | H3 | 61.4° | 60.1° |
| C02 | C05 | H6 | H7 | 119.5° | 120.0° |
| C02 | C05 | C06 | H8 | 170.9° | 180.0° |
| C02 | C05 | C06 | H9 | 70.1° | 60.1° |
| C05 | C02 | O01 | H40 | 180.0° | 60.0° |
| C07 | C04 | C03 | C02 | 51.8° | 60.0° |
| C07 | C04 | C03 | H4 | 120.3° | 120.0° |
| C07 | C04 | C03 | H5 | 120.3° | 120.0° |
| C07 | C04 | C03 | H2 | 172.1° | 180.0° |
| C07 | C04 | C03 | H3 | 68.5° | 60.0° |
| C07 | C04 | H4 | H5 | 119.0° | 120.0° |
| C04 | C07 | C06 | H8 | 166.8° | 180.0° |
| C04 | C07 | C06 | H9 | 74.2° | 60.0° |
| C04 | C07 | N08 | H37 | 13.5° | 95.1° |
| C31 | C30 | C29 | H30 | 77.7° | 60.0° |
| C31 | C30 | C29 | H31 | 162.8° | 60.0° |
| C31 | C30 | H32 | H33 | 119.4° | 120.0° |
| C30 | C31 | H34 | H35 | 120.0° | 119.9° |
| C30 | C31 | H34 | H36 | 120.0° | 120.0° |
| C30 | C31 | H35 | H36 | 120.0° | 120.0° |
| O01 | C02 | C03 | H1 | 119.1° | 120.0° |
| O01 | C02 | C03 | C04 | 179.0° | 180.0° |
| O01 | C02 | C03 | H2 | 58.8° | 59.9° |
| O01 | C02 | C03 | H3 | 60.7° | 60.0° |
| O01 | C02 | C05 | H6 | 60.6° | 60.0° |
| O01 | C02 | C05 | H7 | 59.0° | 60.0° |
| C02 | C03 | C04 | H2 | 120.3° | 120.0° |
| C02 | C03 | C04 | H3 | 120.3° | 120.0° |
| C02 | C03 | H2 | H3 | 119.2° | 119.9° |
| C02 | C03 | C04 | H4 | 172.1° | 60.1° |
| C02 | C03 | C04 | H5 | 68.5° | 180.0° |
| C03 | C02 | C05 | H6 | 177.7° | 60.0° |
| C03 | C02 | C05 | H7 | 62.6° | 180.0° |
| C03 | C02 | O01 | H40 | 56.7° | 180.0° |
| C04 | C03 | C02 | H1 | 59.9° | 60.0° |
| C04 | C03 | H2 | H3 | 119.2° | 120.1° |
| C03 | C04 | H4 | H5 | 119.0° | 119.9° |
| C03 | C04 | C07 | H10 | 73.5° | 60.0° |
| H1 | C02 | C03 | H2 | 60.3° | 60.1° |
| H1 | C02 | C03 | H3 | 179.8° | 180.0° |
| H1 | C02 | C05 | H6 | 59.0° | 179.9° |
| H1 | C02 | C05 | H7 | 178.7° | 60.0° |
| H1 | C02 | O01 | H40 | 61.4° | 60.0° |
| H2 | C03 | C04 | H4 | 67.6° | 59.9° |
| H2 | C03 | C04 | H5 | 51.8° | 60.0° |
| H3 | C03 | C04 | H4 | 51.9° | 180.0° |
| H3 | C03 | C04 | H5 | 171.2° | 60.0° |
| H4 | C04 | C07 | H10 | 46.8° | 179.9° |
| H5 | C04 | C07 | H10 | 166.2° | 60.0° |
| H6 | C05 | C06 | H8 | 69.0° | 60.0° |
| H6 | C05 | C06 | H9 | 50.1° | 180.0° |
| H7 | C05 | C06 | H8 | 50.8° | 60.0° |
| H7 | C05 | C06 | H9 | 169.8° | 60.0° |
| H8 | C06 | C07 | H10 | 46.7° | 60.0° |
| H9 | C06 | C07 | H10 | 165.8° | 180.0° |
| H10 | C07 | N08 | H37 | 103.2° | 145.0° |
| H11 | N12 | C13 | H12 | 158.7° | 145.0° |
| H12 | C13 | C14 | H13 | 83.9° | 57.5° |
| H12 | C13 | C14 | H14 | 36.1° | 177.7° |
| H12 | C13 | C22 | H25 | 18.6° | 177.7° |
| H12 | C13 | C22 | H26 | 137.2° | 57.6° |
| H13 | C14 | C15 | H15 | 67.9° | 59.0° |
| H13 | C14 | C15 | H16 | 52.1° | 60.9° |
| H14 | C14 | C15 | H15 | 172.0° | 179.2° |
| H14 | C14 | C15 | H16 | 67.9° | 59.3° |
| H17 | C17 | C18 | H19 | 177.7° | 60.0° |
| H17 | C17 | C18 | H20 | 62.7° | 180.0° |
| H18 | C17 | C18 | H19 | 57.4° | 180.0° |
| H18 | C17 | C18 | H20 | 177.0° | 59.9° |
| H19 | C18 | C19 | H21 | 73.1° | 180.0° |
| H19 | C18 | C19 | H22 | 47.4° | 60.0° |
| H20 | C18 | C19 | H21 | 46.6° | 60.0° |
| H20 | C18 | C19 | H22 | 167.0° | 180.0° |
| H23 | C21 | C22 | H25 | 46.2° | 59.3° |
| H23 | C21 | C22 | H26 | 164.8° | 60.9° |
| H24 | C21 | C22 | H25 | 72.5° | 179.2° |
| H24 | C21 | C22 | H26 | 46.1° | 59.1° |
| H28 | C28 | C29 | H30 | 170.3° | 60.0° |
| H28 | C28 | C29 | H31 | 70.2° | 180.0° |
| H28 | C28 | N27 | H39 | 97.3° | 120.1° |
| H29 | C28 | C29 | H30 | 50.7° | 180.0° |
| H29 | C28 | C29 | H31 | 170.2° | 60.0° |
| H29 | C28 | N27 | H39 | 143.1° | 120.0° |
| H30 | C29 | C30 | H32 | 42.6° | 180.0° |
| H30 | C29 | C30 | H33 | 162.1° | 60.0° |
| H31 | C29 | C30 | H32 | 76.9° | 60.0° |
| H31 | C29 | C30 | H33 | 42.6° | 180.0° |
| H32 | C30 | C31 | H34 | 59.8° | 60.0° |
| H32 | C30 | C31 | H35 | 179.8° | 180.0° |
| H32 | C30 | C31 | H36 | 60.2° | 60.0° |
| H33 | C30 | C31 | H34 | 59.8° | 60.0° |
| H33 | C30 | C31 | H35 | 60.2° | 60.0° |
| H33 | C30 | C31 | H36 | 179.8° | 180.0° |
| H34 | C31 | H35 | H36 | 120.0° | 120.0° |
