QY4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | S29 | doub | 1.42Å | 1.46Å | |
| O32 | S29 | doub | 1.42Å | 1.46Å | |
| N30 | S29 | sing | 1.66Å | 1.71Å | |
| S29 | N28 | sing | 1.66Å | 1.71Å | |
| N28 | C27 | sing | 1.47Å | 1.47Å | |
| C27 | C11 | sing | 1.54Å | 1.38Å | |
| C27 | C33 | sing | 1.54Å | 1.64Å | |
| C12 | C11 | sing | 1.54Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.47Å | |
| C11 | C10 | sing | 1.55Å | 1.58Å | |
| C01 | N02 | sing | 1.47Å | 1.45Å | |
| C33 | C34 | sing | 1.54Å | 1.37Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | C20 | doub | 1.32Å | 1.55Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C10 | C34 | sing | 1.54Å | 1.57Å | |
| C10 | C09 | sing | 1.53Å | 1.55Å | |
| C10 | C20 | sing | 1.51Å | 1.49Å | |
| N02 | C09 | sing | 1.46Å | 1.47Å | |
| N02 | C03 | sing | 1.40Å | 1.46Å | |
| C08 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.48Å | 1.53Å | |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.08Å | 1.08Å | |
| C05 | H14 | sing | 1.08Å | 1.08Å | |
| C06 | H15 | sing | 1.08Å | 1.08Å | |
| C07 | H16 | sing | 1.08Å | 1.08Å | |
| C08 | H17 | sing | 1.08Å | 1.08Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.08Å | 1.08Å | |
| C25 | H33 | sing | 1.08Å | 1.08Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| N28 | H39 | sing | 0.97Å | 1.00Å | |
| N30 | H40 | sing | 0.97Å | 1.00Å | |
| N30 | H41 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | S29 | O32 | 101.4° | 123.2° |
| O31 | S29 | N30 | 111.9° | 106.4° |
| O31 | S29 | N28 | 111.4° | 106.4° |
| O32 | S29 | N30 | 111.0° | 106.4° |
| O32 | S29 | N28 | 111.5° | 106.4° |
| N30 | S29 | N28 | 109.6° | 107.2° |
| S29 | N30 | H40 | 109.5° | 120.0° |
| S29 | N30 | H41 | 109.4° | 120.0° |
| S29 | N28 | C27 | 119.4° | 120.0° |
| S29 | N28 | H39 | 106.9° | 120.0° |
| N28 | C27 | C11 | 110.8° | 110.1° |
| N28 | C27 | C33 | 110.2° | 110.1° |
| N28 | C27 | H34 | 109.6° | 110.1° |
| C27 | N28 | H39 | 106.9° | 119.9° |
| C11 | C27 | C33 | 107.7° | 106.3° |
| C27 | C11 | C12 | 114.1° | 110.5° |
| C27 | C11 | C10 | 106.9° | 105.3° |
| C27 | C11 | H20 | 111.2° | 112.7° |
| C11 | C27 | H34 | 111.0° | 110.1° |
| C27 | C33 | C34 | 106.3° | 107.3° |
| C33 | C27 | H34 | 107.5° | 110.1° |
| C27 | C33 | H35 | 110.3° | 109.8° |
| C27 | C33 | H36 | 110.3° | 109.8° |
| C11 | C12 | C13 | 108.0° | 104.3° |
| C12 | C11 | C10 | 107.0° | 101.5° |
| C12 | C11 | H20 | 109.0° | 112.9° |
| C11 | C12 | H21 | 109.8° | 110.4° |
| C11 | C12 | H22 | 109.8° | 110.4° |
| C12 | C13 | C14 | 124.6° | 124.9° |
| C12 | C13 | C20 | 108.6° | 110.5° |
| C13 | C12 | H21 | 109.8° | 110.7° |
| C13 | C12 | H22 | 109.8° | 110.3° |
| C11 | C10 | C34 | 105.0° | 105.7° |
| C11 | C10 | C09 | 114.1° | 112.5° |
| C11 | C10 | C20 | 105.4° | 104.7° |
| C10 | C11 | H20 | 108.4° | 113.1° |
| C01 | N02 | C09 | 120.8° | 120.0° |
| C01 | N02 | C03 | 117.8° | 120.0° |
| N02 | C01 | H10 | 109.5° | 109.5° |
| N02 | C01 | H11 | 109.5° | 109.5° |
| N02 | C01 | H12 | 109.5° | 109.4° |
| C33 | C34 | C10 | 105.3° | 107.4° |
| C34 | C33 | H35 | 110.2° | 110.5° |
| C34 | C33 | H36 | 110.2° | 109.4° |
| C33 | C34 | H37 | 110.5° | 110.8° |
| C33 | C34 | H38 | 110.5° | 109.1° |
| C19 | C18 | C17 | 112.1° | 109.5° |
| C19 | C18 | H27 | 108.8° | 109.5° |
| C19 | C18 | H28 | 108.8° | 109.5° |
| C18 | C19 | H29 | 109.5° | 109.4° |
| C18 | C19 | H30 | 109.5° | 109.5° |
| C18 | C19 | H31 | 109.4° | 109.4° |
| C14 | C15 | C16 | 112.3° | 109.5° |
| C15 | C14 | C13 | 112.1° | 109.5° |
| C14 | C15 | H2 | 108.8° | 109.5° |
| C14 | C15 | H3 | 108.8° | 109.4° |
| C15 | C14 | H23 | 108.8° | 109.5° |
| C15 | C14 | H24 | 108.8° | 109.4° |
| C15 | C16 | C17 | 112.9° | 109.5° |
| C16 | C15 | H2 | 108.7° | 109.5° |
| C16 | C15 | H3 | 108.7° | 109.5° |
| C15 | C16 | H25 | 108.6° | 109.5° |
| C15 | C16 | H26 | 108.6° | 109.5° |
| C14 | C13 | C20 | 125.2° | 124.6° |
| C13 | C14 | H23 | 108.8° | 109.5° |
| C13 | C14 | H24 | 108.8° | 109.4° |
| C13 | C20 | C10 | 108.7° | 110.8° |
| C13 | C20 | C21 | 125.6° | 124.6° |
| C18 | C17 | C16 | 112.7° | 109.5° |
| C18 | C17 | H4 | 108.6° | 109.4° |
| C18 | C17 | H5 | 108.7° | 109.4° |
| C17 | C18 | H27 | 108.8° | 109.4° |
| C17 | C18 | H28 | 108.8° | 109.5° |
| C16 | C17 | H4 | 108.7° | 109.5° |
| C16 | C17 | H5 | 108.7° | 109.5° |
| C17 | C16 | H25 | 108.6° | 109.4° |
| C17 | C16 | H26 | 108.6° | 109.4° |
| C34 | C10 | C09 | 113.0° | 112.4° |
| C34 | C10 | C20 | 111.2° | 108.7° |
| C10 | C34 | H37 | 110.5° | 109.8° |
| C10 | C34 | H38 | 110.5° | 109.8° |
| C09 | C10 | C20 | 107.8° | 112.4° |
| C10 | C09 | N02 | 119.3° | 109.4° |
| C10 | C09 | H18 | 107.0° | 109.5° |
| C10 | C09 | H19 | 106.9° | 109.4° |
| C10 | C20 | C21 | 125.7° | 124.6° |
| C09 | N02 | C03 | 121.4° | 120.0° |
| N02 | C09 | H18 | 107.0° | 109.5° |
| N02 | C09 | H19 | 107.0° | 109.5° |
| N02 | C03 | C08 | 118.8° | 120.1° |
| N02 | C03 | C04 | 121.8° | 120.1° |
| C03 | C08 | C07 | 120.3° | 119.9° |
| C08 | C03 | C04 | 119.4° | 119.9° |
| C03 | C08 | H17 | 119.8° | 120.1° |
| C08 | C07 | C06 | 120.0° | 120.1° |
| C08 | C07 | H16 | 120.0° | 120.0° |
| C07 | C08 | H17 | 119.8° | 120.0° |
| C20 | C21 | C26 | 120.0° | 120.1° |
| C20 | C21 | C22 | 120.2° | 120.2° |
| C03 | C04 | C05 | 120.3° | 119.9° |
| C03 | C04 | H13 | 119.8° | 120.0° |
| C07 | C06 | C05 | 119.9° | 120.2° |
| C07 | C06 | H15 | 120.1° | 119.9° |
| C06 | C07 | H16 | 120.0° | 120.0° |
| C04 | C05 | C06 | 120.0° | 120.1° |
| C05 | C04 | H13 | 119.8° | 120.1° |
| C04 | C05 | H14 | 120.0° | 120.0° |
| C06 | C05 | H14 | 120.0° | 119.9° |
| C05 | C06 | H15 | 120.0° | 119.9° |
| C26 | C21 | C22 | 119.8° | 119.7° |
| C21 | C26 | C25 | 120.1° | 119.9° |
| C21 | C26 | H9 | 119.9° | 120.0° |
| C21 | C22 | C23 | 120.1° | 119.9° |
| C21 | C22 | H7 | 119.9° | 120.1° |
| C26 | C25 | C24 | 120.1° | 120.1° |
| C25 | C26 | H9 | 120.0° | 120.1° |
| C26 | C25 | H33 | 120.0° | 119.9° |
| C22 | C23 | C24 | 120.0° | 120.2° |
| C23 | C22 | H7 | 119.9° | 120.1° |
| C22 | C23 | H32 | 120.0° | 119.9° |
| C25 | C24 | C23 | 119.9° | 120.3° |
| C25 | C24 | H8 | 120.0° | 119.8° |
| C24 | C25 | H33 | 120.0° | 119.9° |
| C23 | C24 | H8 | 120.0° | 119.9° |
| C24 | C23 | H32 | 120.0° | 119.9° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.4° |
| H10 | C01 | H11 | 109.5° | 109.5° |
| H10 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.4° | 109.5° |
| H18 | C09 | H19 | 109.5° | 109.5° |
| H21 | C12 | H22 | 109.5° | 110.5° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| H25 | C16 | H26 | 109.5° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.4° |
| H29 | C19 | H30 | 109.5° | 109.5° |
| H29 | C19 | H31 | 109.5° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| H35 | C33 | H36 | 109.5° | 110.0° |
| H37 | C34 | H38 | 109.5° | 109.9° |
| H40 | N30 | H41 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | S29 | O32 | N30 | 118.9° | 123.0° |
| O31 | S29 | O32 | N28 | 118.6° | 123.0° |
| O31 | S29 | N30 | N28 | 124.0° | 113.5° |
| O31 | S29 | N28 | C27 | 42.8° | 178.6° |
| O31 | S29 | N28 | H39 | 78.6° | 1.5° |
| O31 | S29 | N30 | H40 | 180.0° | 66.5° |
| O31 | S29 | N30 | H41 | 60.0° | 113.5° |
| O32 | S29 | N30 | N28 | 123.6° | 113.5° |
| O32 | S29 | N28 | C27 | 155.3° | 48.5° |
| O32 | S29 | N28 | H39 | 33.9° | 131.4° |
| O32 | S29 | N30 | H40 | 67.6° | 66.4° |
| O32 | S29 | N30 | H41 | 52.4° | 113.5° |
| N30 | S29 | N28 | C27 | 81.4° | 65.0° |
| N30 | S29 | N28 | H39 | 157.2° | 115.0° |
| S29 | N30 | H40 | H41 | 120.0° | 180.0° |
| S29 | N28 | C27 | H39 | 121.4° | 179.9° |
| S29 | N28 | C27 | C11 | 103.0° | 145.0° |
| S29 | N28 | C27 | C33 | 137.9° | 98.1° |
| S29 | N28 | C27 | H34 | 19.8° | 23.5° |
| N28 | S29 | N30 | H40 | 56.0° | 180.0° |
| N28 | S29 | N30 | H41 | 176.0° | 0.0° |
| N28 | C27 | C11 | C33 | 120.6° | 119.2° |
| N28 | C27 | C11 | H34 | 122.0° | 121.6° |
| N28 | C27 | C33 | H34 | 119.4° | 121.6° |
| N28 | C27 | C11 | C12 | 9.0° | 37.9° |
| N28 | C27 | C11 | C10 | 127.0° | 146.7° |
| N28 | C27 | C33 | C34 | 145.3° | 136.2° |
| N28 | C27 | C11 | H20 | 114.8° | 89.5° |
| N28 | C27 | C33 | H35 | 95.2° | 103.7° |
| N28 | C27 | C33 | H36 | 25.8° | 17.4° |
| C11 | C27 | C33 | H34 | 119.6° | 119.2° |
| C27 | C11 | C12 | C10 | 118.0° | 111.3° |
| C27 | C11 | C12 | H20 | 125.0° | 127.3° |
| C27 | C11 | C12 | C13 | 104.9° | 137.9° |
| C27 | C11 | C10 | H20 | 120.0° | 123.5° |
| C11 | C27 | C33 | C34 | 24.3° | 17.0° |
| C27 | C11 | C10 | C34 | 10.6° | 27.6° |
| C27 | C11 | C10 | C09 | 134.8° | 95.4° |
| C27 | C11 | C10 | C20 | 107.0° | 142.3° |
| C27 | C11 | C12 | H21 | 14.8° | 103.2° |
| C27 | C11 | C12 | H22 | 135.3° | 19.3° |
| C11 | C27 | C33 | H35 | 143.8° | 137.0° |
| C11 | C27 | C33 | H36 | 95.2° | 101.8° |
| C11 | C27 | N28 | H39 | 135.6° | 35.0° |
| C33 | C27 | C11 | C12 | 111.6° | 81.3° |
| C33 | C27 | C11 | C10 | 6.5° | 27.5° |
| C27 | C33 | C34 | H35 | 119.5° | 119.7° |
| C27 | C33 | C34 | H36 | 119.5° | 119.1° |
| C27 | C33 | C34 | C10 | 29.7° | 0.3° |
| C33 | C27 | C11 | H20 | 124.6° | 151.3° |
| C27 | C33 | H35 | H36 | 121.5° | 121.0° |
| C27 | C33 | C34 | H37 | 89.6° | 119.7° |
| C27 | C33 | C34 | H38 | 149.1° | 119.3° |
| C33 | C27 | N28 | H39 | 16.5° | 81.9° |
| C11 | C12 | C13 | H21 | 119.8° | 118.8° |
| C11 | C12 | C13 | H22 | 119.8° | 118.6° |
| C12 | C11 | C10 | H20 | 117.4° | 121.3° |
| C11 | C12 | C13 | C14 | 171.3° | 162.3° |
| C11 | C12 | C13 | C20 | 5.6° | 17.3° |
| C12 | C11 | C10 | C34 | 133.2° | 87.6° |
| C12 | C11 | C10 | C09 | 102.5° | 149.4° |
| C12 | C11 | C10 | C20 | 15.6° | 27.1° |
| C11 | C12 | H21 | H22 | 120.7° | 122.5° |
| C12 | C11 | C27 | H34 | 131.0° | 159.5° |
| C13 | C12 | C11 | C10 | 13.1° | 26.6° |
| C12 | C13 | C14 | C15 | 44.9° | 85.4° |
| C12 | C13 | C14 | C20 | 163.4° | 179.6° |
| C12 | C13 | C20 | C10 | 4.5° | 0.6° |
| C12 | C13 | C20 | C21 | 177.2° | 179.4° |
| C13 | C12 | C11 | H20 | 130.1° | 94.8° |
| C13 | C12 | H21 | H22 | 120.7° | 122.5° |
| C12 | C13 | C14 | H23 | 75.5° | 34.6° |
| C12 | C13 | C14 | H24 | 165.2° | 154.7° |
| C11 | C10 | C34 | C33 | 26.3° | 17.2° |
| C11 | C10 | C20 | C13 | 12.3° | 18.2° |
| C11 | C10 | C34 | C09 | 124.9° | 123.1° |
| C11 | C10 | C34 | C20 | 113.6° | 111.9° |
| C11 | C10 | C09 | C20 | 116.8° | 117.8° |
| C11 | C10 | C09 | N02 | 64.2° | 53.2° |
| C11 | C10 | C20 | C21 | 169.4° | 161.8° |
| C11 | C10 | C09 | H18 | 174.3° | 173.2° |
| C11 | C10 | C09 | H19 | 57.1° | 66.8° |
| C10 | C11 | C12 | H21 | 132.8° | 145.5° |
| C10 | C11 | C12 | H22 | 106.7° | 92.0° |
| C10 | C11 | C27 | H34 | 110.9° | 91.7° |
| C11 | C10 | C34 | H37 | 93.0° | 103.3° |
| C11 | C10 | C34 | H38 | 145.7° | 135.7° |
| C01 | N02 | C09 | C10 | 82.4° | 87.1° |
| C01 | N02 | C09 | C03 | 176.6° | 179.9° |
| C01 | N02 | C03 | C08 | 20.8° | 175.3° |
| C01 | N02 | C03 | C04 | 159.9° | 4.4° |
| N02 | C01 | H10 | H11 | 120.0° | 120.0° |
| N02 | C01 | H10 | H12 | 120.0° | 120.0° |
| N02 | C01 | H11 | H12 | 120.0° | 119.9° |
| C01 | N02 | C09 | H18 | 156.2° | 32.9° |
| C01 | N02 | C09 | H19 | 38.9° | 153.0° |
| C33 | C34 | C10 | H37 | 119.3° | 120.6° |
| C33 | C34 | C10 | H38 | 119.3° | 118.5° |
| C33 | C34 | C10 | C09 | 151.2° | 105.9° |
| C33 | C34 | C10 | C20 | 87.3° | 129.1° |
| C34 | C33 | C27 | H34 | 95.3° | 102.2° |
| C34 | C33 | H35 | H36 | 121.4° | 120.8° |
| C33 | C34 | H37 | H38 | 121.9° | 120.6° |
| C19 | C18 | C17 | H27 | 120.4° | 120.0° |
| C19 | C18 | C17 | H28 | 120.4° | 120.1° |
| C19 | C18 | C17 | C16 | 175.2° | 180.0° |
| C19 | C18 | C17 | H4 | 54.8° | 60.0° |
| C19 | C18 | C17 | H5 | 64.3° | 59.9° |
| C19 | C18 | H27 | H28 | 118.8° | 120.0° |
| C18 | C19 | H29 | H30 | 120.0° | 120.0° |
| C18 | C19 | H29 | H31 | 120.0° | 120.0° |
| C18 | C19 | H30 | H31 | 120.0° | 120.0° |
| C14 | C15 | C16 | H2 | 120.4° | 120.0° |
| C14 | C15 | C16 | H3 | 120.4° | 120.0° |
| C15 | C14 | C13 | H23 | 120.4° | 120.0° |
| C15 | C14 | C13 | H24 | 120.4° | 120.0° |
| C15 | C14 | C13 | C20 | 118.5° | 95.0° |
| C14 | C15 | C16 | C17 | 170.0° | 180.0° |
| C14 | C15 | H2 | H3 | 118.7° | 120.0° |
| C15 | C14 | H23 | H24 | 118.8° | 120.0° |
| C14 | C15 | C16 | H25 | 49.5° | 60.0° |
| C14 | C15 | C16 | H26 | 69.5° | 60.0° |
| C16 | C15 | C14 | C13 | 64.0° | 180.0° |
| C15 | C16 | C17 | C18 | 66.2° | 180.0° |
| C15 | C16 | C17 | H25 | 120.5° | 120.0° |
| C15 | C16 | C17 | H26 | 120.5° | 120.0° |
| C16 | C15 | H2 | H3 | 118.7° | 120.0° |
| C15 | C16 | C17 | H4 | 173.4° | 60.0° |
| C15 | C16 | C17 | H5 | 54.3° | 60.0° |
| C16 | C15 | C14 | H23 | 175.6° | 60.0° |
| C16 | C15 | C14 | H24 | 56.4° | 60.0° |
| C15 | C16 | H25 | H26 | 118.4° | 120.0° |
| C14 | C13 | C20 | C10 | 161.1° | 179.7° |
| C14 | C13 | C20 | C21 | 17.2° | 0.2° |
| C13 | C14 | C15 | H2 | 175.6° | 60.0° |
| C13 | C14 | C15 | H3 | 56.4° | 60.0° |
| C14 | C13 | C12 | H21 | 68.9° | 43.5° |
| C14 | C13 | C12 | H22 | 51.5° | 79.1° |
| C13 | C14 | H23 | H24 | 118.8° | 120.0° |
| C13 | C20 | C10 | C34 | 125.5° | 94.4° |
| C13 | C20 | C10 | C09 | 110.0° | 140.6° |
| C13 | C20 | C10 | C21 | 178.3° | 180.0° |
| C13 | C20 | C21 | C26 | 88.5° | 68.1° |
| C13 | C20 | C21 | C22 | 91.4° | 111.6° |
| C20 | C13 | C12 | H21 | 125.3° | 136.1° |
| C20 | C13 | C12 | H22 | 114.2° | 101.3° |
| C20 | C13 | C14 | H23 | 121.0° | 145.0° |
| C20 | C13 | C14 | H24 | 1.8° | 24.9° |
| C18 | C17 | C16 | H4 | 120.4° | 120.0° |
| C18 | C17 | C16 | H5 | 120.5° | 120.0° |
| C18 | C17 | H4 | H5 | 118.5° | 119.9° |
| C18 | C17 | C16 | H25 | 173.3° | 60.0° |
| C18 | C17 | C16 | H26 | 54.3° | 60.0° |
| C17 | C18 | H27 | H28 | 118.8° | 120.0° |
| C17 | C18 | C19 | H29 | 180.0° | 60.0° |
| C17 | C18 | C19 | H30 | 60.0° | 60.0° |
| C17 | C18 | C19 | H31 | 60.0° | 180.0° |
| C17 | C16 | C15 | H2 | 69.6° | 60.0° |
| C17 | C16 | C15 | H3 | 49.5° | 60.0° |
| C16 | C17 | H4 | H5 | 118.5° | 120.1° |
| C17 | C16 | H25 | H26 | 118.5° | 120.0° |
| C16 | C17 | C18 | H27 | 64.4° | 60.0° |
| C16 | C17 | C18 | H28 | 54.8° | 60.0° |
| C34 | C10 | C09 | C20 | 123.4° | 123.0° |
| C34 | C10 | C09 | N02 | 55.6° | 66.0° |
| C34 | C10 | C20 | C21 | 56.2° | 85.6° |
| C34 | C10 | C09 | H18 | 65.8° | 54.0° |
| C34 | C10 | C09 | H19 | 177.0° | 174.1° |
| C34 | C10 | C11 | H20 | 109.4° | 151.1° |
| C10 | C34 | C33 | H35 | 149.2° | 119.4° |
| C10 | C34 | C33 | H36 | 89.8° | 119.4° |
| C10 | C34 | H37 | H38 | 121.9° | 120.9° |
| C10 | C09 | N02 | H18 | 121.4° | 120.0° |
| C10 | C09 | N02 | H19 | 121.4° | 120.0° |
| C10 | C09 | N02 | C03 | 101.0° | 93.0° |
| C09 | C10 | C20 | C21 | 68.3° | 39.4° |
| C10 | C09 | H18 | H19 | 115.5° | 120.0° |
| C09 | C10 | C11 | H20 | 14.9° | 28.1° |
| C09 | C10 | C34 | H37 | 31.9° | 133.6° |
| C09 | C10 | C34 | H38 | 89.4° | 12.6° |
| C20 | C10 | C09 | N02 | 179.0° | 171.0° |
| C10 | C20 | C21 | C26 | 93.5° | 111.9° |
| C10 | C20 | C21 | C22 | 86.6° | 68.3° |
| C20 | C10 | C09 | H18 | 57.6° | 69.0° |
| C20 | C10 | C09 | H19 | 59.6° | 51.1° |
| C20 | C10 | C11 | H20 | 133.0° | 94.2° |
| C20 | C10 | C34 | H37 | 153.4° | 8.5° |
| C20 | C10 | C34 | H38 | 32.1° | 112.4° |
| C09 | N02 | C03 | C08 | 155.9° | 4.6° |
| C09 | N02 | C03 | C04 | 23.4° | 175.6° |
| C09 | N02 | C01 | H10 | 180.0° | 95.2° |
| C09 | N02 | C01 | H11 | 60.0° | 144.8° |
| C09 | N02 | C01 | H12 | 60.0° | 24.8° |
| N02 | C09 | H18 | H19 | 115.6° | 120.0° |
| N02 | C03 | C08 | C04 | 179.3° | 179.8° |
| N02 | C03 | C08 | C07 | 179.8° | 179.8° |
| N02 | C03 | C04 | C05 | 179.9° | 179.8° |
| C03 | N02 | C01 | H10 | 3.3° | 84.7° |
| C03 | N02 | C01 | H11 | 116.7° | 35.3° |
| C03 | N02 | C01 | H12 | 123.3° | 155.3° |
| N02 | C03 | C04 | H13 | 0.1° | 0.3° |
| N02 | C03 | C08 | H17 | 0.2° | 0.2° |
| C03 | N02 | C09 | H18 | 20.4° | 147.0° |
| C03 | N02 | C09 | H19 | 137.7° | 27.0° |
| C03 | C08 | C07 | H17 | 180.0° | 180.0° |
| C03 | C08 | C07 | C06 | 0.2° | 0.0° |
| C08 | C03 | C04 | C05 | 0.6° | 0.0° |
| C08 | C03 | C04 | H13 | 179.4° | 180.0° |
| C03 | C08 | C07 | H16 | 179.8° | 180.0° |
| C07 | C08 | C03 | C04 | 0.4° | 0.0° |
| C08 | C07 | C06 | H16 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 0.0° | 0.0° |
| C08 | C07 | C06 | H15 | 180.0° | 179.9° |
| C20 | C21 | C26 | C22 | 179.9° | 179.8° |
| C20 | C21 | C26 | C25 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 180.0° | 179.9° |
| C20 | C21 | C22 | H7 | 0.0° | 0.0° |
| C20 | C21 | C26 | H9 | 0.0° | 0.0° |
| C03 | C04 | C05 | H13 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.4° | 0.0° |
| C03 | C04 | C05 | H14 | 179.6° | 180.0° |
| C04 | C03 | C08 | H17 | 179.5° | 180.0° |
| C07 | C06 | C05 | C04 | 0.1° | 0.0° |
| C07 | C06 | C05 | H15 | 180.0° | 179.9° |
| C07 | C06 | C05 | H14 | 179.9° | 180.0° |
| C06 | C07 | C08 | H17 | 179.8° | 180.0° |
| C04 | C05 | C06 | H14 | 180.0° | 180.0° |
| C04 | C05 | C06 | H15 | 179.9° | 179.9° |
| C06 | C05 | C04 | H13 | 179.6° | 180.0° |
| C05 | C06 | C07 | H16 | 180.0° | 179.9° |
| C21 | C26 | C25 | H9 | 180.0° | 180.0° |
| C26 | C21 | C22 | C23 | 0.1° | 0.3° |
| C21 | C26 | C25 | C24 | 0.0° | 0.0° |
| C26 | C21 | C22 | H7 | 179.9° | 179.8° |
| C21 | C26 | C25 | H33 | 179.9° | 180.0° |
| C22 | C21 | C26 | C25 | 0.1° | 0.3° |
| C21 | C22 | C23 | H7 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C22 | C21 | C26 | H9 | 179.9° | 179.7° |
| C21 | C22 | C23 | H32 | 179.9° | 180.0° |
| C26 | C25 | C24 | H33 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.0° | 0.3° |
| C26 | C25 | C24 | H8 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.3° |
| C22 | C23 | C24 | H32 | 180.0° | 180.0° |
| C22 | C23 | C24 | H8 | 180.0° | 180.0° |
| C25 | C24 | C23 | H8 | 180.0° | 179.7° |
| C24 | C25 | C26 | H9 | 179.9° | 180.0° |
| C25 | C24 | C23 | H32 | 180.0° | 179.7° |
| C24 | C23 | C22 | H7 | 180.0° | 180.0° |
| C23 | C24 | C25 | H33 | 180.0° | 179.7° |
| H2 | C15 | C14 | H23 | 55.2° | 180.0° |
| H2 | C15 | C14 | H24 | 64.1° | 60.0° |
| H2 | C15 | C16 | H25 | 169.9° | 180.0° |
| H2 | C15 | C16 | H26 | 50.9° | 60.0° |
| H3 | C15 | C14 | H23 | 64.0° | 60.0° |
| H3 | C15 | C14 | H24 | 176.8° | 180.0° |
| H3 | C15 | C16 | H25 | 71.0° | 59.9° |
| H3 | C15 | C16 | H26 | 170.1° | NaN° |
| H4 | C17 | C16 | H25 | 52.9° | 180.0° |
| H4 | C17 | C16 | H26 | 66.1° | 60.0° |
| H4 | C17 | C18 | H27 | 175.2° | 180.0° |
| H4 | C17 | C18 | H28 | 65.6° | 60.1° |
| H5 | C17 | C16 | H25 | 66.2° | 60.0° |
| H5 | C17 | C16 | H26 | 174.8° | 180.0° |
| H5 | C17 | C18 | H27 | 56.1° | 60.1° |
| H5 | C17 | C18 | H28 | 175.3° | 180.0° |
| H7 | C22 | C23 | H32 | 0.0° | 0.1° |
| H8 | C24 | C23 | H32 | 0.0° | 0.0° |
| H8 | C24 | C25 | H33 | 0.1° | 0.0° |
| H9 | C26 | C25 | H33 | 0.1° | 0.0° |
| H10 | C01 | H11 | H12 | 120.0° | 120.0° |
| H13 | C04 | C05 | H14 | 0.4° | 0.0° |
| H14 | C05 | C06 | H15 | 0.1° | 0.1° |
| H15 | C06 | C07 | H16 | 0.0° | 0.1° |
| H16 | C07 | C08 | H17 | 0.2° | 0.1° |
| H20 | C11 | C12 | H21 | 110.2° | 24.1° |
| H20 | C11 | C12 | H22 | 10.3° | 146.6° |
| H20 | C11 | C27 | H34 | 7.2° | 32.1° |
| H27 | C18 | C19 | H29 | 59.6° | 180.0° |
| H27 | C18 | C19 | H30 | 60.4° | 60.0° |
| H27 | C18 | C19 | H31 | 179.6° | 60.0° |
| H28 | C18 | C19 | H29 | 59.6° | 60.1° |
| H28 | C18 | C19 | H30 | 179.6° | 180.0° |
| H28 | C18 | C19 | H31 | 60.4° | 59.9° |
| H29 | C19 | H30 | H31 | 120.0° | 120.1° |
| H34 | C27 | C33 | H35 | 24.2° | 17.9° |
| H34 | C27 | C33 | H36 | 145.2° | 139.0° |
| H34 | C27 | N28 | H39 | 101.6° | 156.6° |
| H35 | C33 | C34 | H37 | 29.9° | 120.7° |
| H35 | C33 | C34 | H38 | 91.4° | 0.4° |
| H36 | C33 | C34 | H37 | 150.9° | 0.6° |
| H36 | C33 | C34 | H38 | 29.6° | 121.6° |
