QYQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O37 | S34 | doub | 1.42Å | 1.46Å | |
| S34 | C35 | sing | 1.82Å | 1.80Å | |
| S34 | C33 | sing | 1.82Å | 1.81Å | |
| S34 | O38 | doub | 1.42Å | 1.46Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C33 | C32 | sing | 1.53Å | 1.56Å | |
| C36 | C31 | sing | 1.53Å | 1.56Å | |
| C32 | C31 | sing | 1.53Å | 1.56Å | |
| C31 | C29 | sing | 1.51Å | 1.53Å | |
| C28 | N20 | sing | 1.47Å | 1.49Å | |
| C29 | N20 | sing | 1.35Å | 1.39Å | |
| C29 | O30 | doub | 1.21Å | 1.23Å | |
| N20 | C1 | sing | 1.46Å | 1.47Å | |
| F27 | C24 | sing | 1.40Å | 1.36Å | |
| F25 | C24 | sing | 1.40Å | 1.34Å | |
| C23 | C12 | sing | 1.53Å | 1.55Å | |
| C1 | C24 | sing | 1.53Å | 1.56Å | |
| C1 | C17 | sing | 1.51Å | 1.55Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| O21 | C12 | sing | 1.43Å | 1.45Å | |
| O21 | C22 | sing | 1.43Å | 1.44Å | |
| C24 | F26 | sing | 1.40Å | 1.35Å | |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C3 | sing | 1.51Å | 1.54Å | |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | N6 | sing | 1.40Å | 1.37Å | |
| N6 | C4 | sing | 1.40Å | 1.32Å | |
| C3 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| C3 | N8 | sing | 1.37Å | 1.32Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.50Å | Aromatic |
| N9 | N8 | sing | 1.40Å | 1.35Å | Aromatic |
| N9 | C10 | doub | 1.32Å | 1.26Å | Aromatic |
| N8 | C7 | sing | 1.37Å | 1.32Å | Aromatic |
| C5 | N2 | doub | 1.31Å | 1.27Å | Aromatic |
| C10 | CL1 | sing | 1.74Å | 1.71Å | |
| C10 | C11 | sing | 1.39Å | 1.46Å | Aromatic |
| C7 | N2 | sing | 1.34Å | 1.43Å | Aromatic |
| C7 | C11 | doub | 1.39Å | 1.33Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.08Å | 1.08Å | |
| N6 | H18 | sing | 0.97Å | 1.00Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O37 | S34 | C35 | 108.9° | 108.7° |
| O37 | S34 | C33 | 111.8° | 108.7° |
| O37 | S34 | O38 | 119.1° | 119.4° |
| C35 | S34 | C33 | 100.3° | 101.3° |
| C35 | S34 | O38 | 106.1° | 108.7° |
| S34 | C35 | C36 | 107.1° | 109.0° |
| S34 | C35 | H24 | 110.1° | 109.6° |
| S34 | C35 | H25 | 110.1° | 109.5° |
| C33 | S34 | O38 | 108.9° | 108.7° |
| S34 | C33 | C32 | 109.8° | 109.0° |
| S34 | C33 | H22 | 109.4° | 109.5° |
| S34 | C33 | H23 | 109.4° | 109.6° |
| C35 | C36 | C31 | 110.4° | 109.9° |
| C36 | C35 | H24 | 110.1° | 109.6° |
| C36 | C35 | H25 | 110.1° | 109.5° |
| C35 | C36 | H26 | 109.2° | 109.4° |
| C35 | C36 | H27 | 109.2° | 109.4° |
| C33 | C32 | C31 | 112.3° | 110.0° |
| C33 | C32 | H20 | 108.8° | 109.4° |
| C33 | C32 | H21 | 108.8° | 109.3° |
| C32 | C33 | H22 | 109.4° | 109.6° |
| C32 | C33 | H23 | 109.4° | 109.6° |
| C36 | C31 | C32 | 115.4° | 110.6° |
| C36 | C31 | C29 | 111.4° | 109.2° |
| C36 | C31 | H19 | 103.9° | 109.3° |
| C31 | C36 | H26 | 109.2° | 109.4° |
| C31 | C36 | H27 | 109.2° | 109.3° |
| C32 | C31 | C29 | 116.2° | 109.3° |
| C32 | C31 | H19 | 103.9° | 109.2° |
| C31 | C32 | H20 | 108.7° | 109.4° |
| C31 | C32 | H21 | 108.7° | 109.4° |
| C31 | C29 | N20 | 123.1° | 120.1° |
| C31 | C29 | O30 | 113.7° | 120.0° |
| C29 | C31 | H19 | 104.2° | 109.2° |
| C28 | N20 | C29 | 118.0° | 120.0° |
| C28 | N20 | C1 | 121.3° | 120.0° |
| N20 | C28 | H14 | 109.5° | 109.5° |
| N20 | C28 | H15 | 109.5° | 109.5° |
| N20 | C28 | H16 | 109.5° | 109.5° |
| N20 | C29 | O30 | 123.1° | 120.0° |
| C29 | N20 | C1 | 120.6° | 120.1° |
| N20 | C1 | C24 | 114.5° | 109.5° |
| N20 | C1 | C17 | 109.8° | 109.5° |
| N20 | C1 | H1 | 106.6° | 109.5° |
| F27 | C24 | F25 | 104.9° | 109.5° |
| F27 | C24 | C1 | 114.1° | 109.5° |
| F27 | C24 | F26 | 109.0° | 109.5° |
| F25 | C24 | C1 | 107.1° | 109.5° |
| F25 | C24 | F26 | 106.8° | 109.4° |
| C23 | C12 | O21 | 108.7° | 109.5° |
| C23 | C12 | C3 | 109.2° | 109.4° |
| C23 | C12 | H3 | 108.4° | 109.5° |
| C12 | C23 | H11 | 109.5° | 109.5° |
| C12 | C23 | H12 | 109.5° | 109.5° |
| C12 | C23 | H13 | 109.5° | 109.5° |
| C24 | C1 | C17 | 113.9° | 109.5° |
| C1 | C24 | F26 | 114.2° | 109.5° |
| C24 | C1 | H1 | 105.6° | 109.5° |
| C1 | C17 | C16 | 118.6° | 119.9° |
| C1 | C17 | C18 | 124.2° | 119.9° |
| C17 | C1 | H1 | 105.8° | 109.4° |
| C17 | C16 | C15 | 120.6° | 120.1° |
| C16 | C17 | C18 | 117.1° | 120.2° |
| C17 | C16 | H5 | 119.7° | 120.0° |
| C16 | C15 | C14 | 122.4° | 119.9° |
| C16 | C15 | H4 | 118.8° | 120.1° |
| C15 | C16 | H5 | 119.7° | 120.0° |
| C12 | O21 | C22 | 113.8° | 114.0° |
| O21 | C12 | C3 | 112.1° | 109.5° |
| O21 | C12 | H3 | 109.8° | 109.5° |
| O21 | C22 | H8 | 109.5° | 109.6° |
| O21 | C22 | H9 | 109.5° | 109.4° |
| O21 | C22 | H10 | 109.5° | 109.4° |
| C17 | C18 | C19 | 122.1° | 120.1° |
| C17 | C18 | H6 | 119.0° | 120.0° |
| C15 | C14 | C19 | 117.9° | 119.9° |
| C15 | C14 | N6 | 117.9° | 120.1° |
| C14 | C15 | H4 | 118.8° | 120.1° |
| C12 | C3 | C4 | 125.8° | 120.5° |
| C12 | C3 | N8 | 113.7° | 120.5° |
| C3 | C12 | H3 | 108.6° | 109.4° |
| C18 | C19 | C14 | 119.8° | 119.9° |
| C19 | C18 | H6 | 118.9° | 120.0° |
| C18 | C19 | H7 | 120.1° | 120.0° |
| C19 | C14 | N6 | 124.3° | 120.0° |
| C14 | C19 | H7 | 120.1° | 120.1° |
| C14 | N6 | C4 | 129.7° | 119.9° |
| C14 | N6 | H18 | 115.2° | 120.0° |
| N6 | C4 | C3 | 122.2° | 120.3° |
| N6 | C4 | C5 | 120.0° | 120.4° |
| C4 | N6 | H18 | 115.1° | 120.0° |
| C4 | C3 | N8 | 120.3° | 119.0° |
| C3 | C4 | C5 | 117.7° | 119.3° |
| C3 | N8 | N9 | 131.5° | 132.5° |
| C3 | N8 | C7 | 121.6° | 119.8° |
| C4 | C5 | N2 | 119.4° | 120.2° |
| C4 | C5 | H17 | 120.3° | 119.9° |
| N8 | N9 | C10 | 109.2° | 108.8° |
| N9 | N8 | C7 | 106.5° | 107.7° |
| N9 | C10 | CL1 | 125.6° | 125.5° |
| N9 | C10 | C11 | 110.6° | 109.0° |
| N8 | C7 | N2 | 121.3° | 120.7° |
| N8 | C7 | C11 | 113.5° | 106.9° |
| C5 | N2 | C7 | 119.1° | 120.9° |
| N2 | C5 | H17 | 120.3° | 119.9° |
| CL1 | C10 | C11 | 123.7° | 125.6° |
| C10 | C11 | C7 | 100.1° | 107.7° |
| C10 | C11 | H2 | 130.0° | 126.2° |
| N2 | C7 | C11 | 125.1° | 132.4° |
| C7 | C11 | H2 | 130.0° | 126.2° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H8 | C22 | H10 | 109.4° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.4° |
| H11 | C23 | H12 | 109.4° | 109.4° |
| H11 | C23 | H13 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.4° |
| H14 | C28 | H15 | 109.5° | 109.4° |
| H14 | C28 | H16 | 109.5° | 109.5° |
| H15 | C28 | H16 | 109.5° | 109.4° |
| H20 | C32 | H21 | 109.5° | 109.4° |
| H22 | C33 | H23 | 109.5° | 109.6° |
| H24 | C35 | H25 | 109.5° | 109.6° |
| H26 | C36 | H27 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O37 | S34 | C35 | C33 | 117.4° | 114.3° |
| O37 | S34 | C35 | O38 | 129.3° | 131.4° |
| O37 | S34 | C33 | O38 | 133.6° | 131.3° |
| O37 | S34 | C35 | C36 | 178.8° | 168.7° |
| O37 | S34 | C33 | C32 | 175.0° | 168.6° |
| O37 | S34 | C33 | H22 | 64.9° | 48.8° |
| O37 | S34 | C33 | H23 | 54.9° | 71.5° |
| O37 | S34 | C35 | H24 | 61.5° | 48.7° |
| O37 | S34 | C35 | H25 | 59.2° | 71.5° |
| C35 | S34 | C33 | O38 | 111.1° | 114.3° |
| S34 | C35 | C36 | H24 | 119.7° | 119.9° |
| S34 | C35 | C36 | H25 | 119.6° | 119.8° |
| C35 | S34 | C33 | C32 | 59.8° | 54.3° |
| S34 | C35 | C36 | C31 | 65.6° | 63.7° |
| C35 | S34 | C33 | H22 | 179.8° | 65.6° |
| C35 | S34 | C33 | H23 | 60.3° | 174.2° |
| S34 | C35 | H24 | H25 | 121.1° | 120.2° |
| S34 | C35 | C36 | H26 | 174.2° | 56.5° |
| S34 | C35 | C36 | H27 | 54.5° | 176.2° |
| C33 | S34 | C35 | C36 | 63.8° | 54.3° |
| S34 | C33 | C32 | H22 | 120.1° | 119.8° |
| S34 | C33 | C32 | H23 | 120.0° | 120.0° |
| S34 | C33 | C32 | C31 | 56.9° | 63.6° |
| S34 | C33 | C32 | H20 | 63.5° | 176.2° |
| S34 | C33 | C32 | H21 | 177.3° | 56.4° |
| S34 | C33 | H22 | H23 | 119.8° | 120.2° |
| C33 | S34 | C35 | H24 | 55.9° | 65.6° |
| C33 | S34 | C35 | H25 | 176.6° | 174.1° |
| O38 | S34 | C35 | C36 | 49.5° | 60.0° |
| O38 | S34 | C33 | C32 | 51.4° | 60.0° |
| O38 | S34 | C33 | H22 | 68.7° | 179.9° |
| O38 | S34 | C33 | H23 | 171.4° | 59.9° |
| O38 | S34 | C35 | H24 | 169.2° | 179.9° |
| O38 | S34 | C35 | H25 | 70.1° | 59.8° |
| C35 | C36 | C31 | H26 | 120.1° | 120.2° |
| C35 | C36 | C31 | H27 | 120.1° | 120.1° |
| C35 | C36 | C31 | C32 | 60.2° | 70.0° |
| C35 | C36 | C31 | C29 | 164.5° | 169.6° |
| C35 | C36 | C31 | H19 | 52.9° | 50.2° |
| C36 | C35 | H24 | H25 | 121.1° | 120.2° |
| C35 | C36 | H26 | H27 | 119.6° | 119.7° |
| C33 | C32 | C31 | C36 | 55.3° | 70.0° |
| C33 | C32 | C31 | H20 | 120.4° | 120.2° |
| C33 | C32 | C31 | H21 | 120.4° | 120.0° |
| C33 | C32 | C31 | C29 | 171.6° | 169.7° |
| C33 | C32 | C31 | H19 | 57.8° | 50.3° |
| C33 | C32 | H20 | H21 | 118.7° | 119.7° |
| C32 | C33 | H22 | H23 | 119.9° | 120.2° |
| C36 | C31 | C32 | C29 | 133.1° | 120.3° |
| C36 | C31 | C32 | H19 | 113.1° | 120.3° |
| C36 | C31 | C29 | H19 | 111.4° | 119.4° |
| C36 | C31 | C29 | N20 | 104.3° | 71.7° |
| C36 | C31 | C29 | O30 | 77.0° | 108.3° |
| C36 | C31 | C32 | H20 | 65.1° | 169.8° |
| C36 | C31 | C32 | H21 | 175.7° | 50.0° |
| C31 | C36 | C35 | H24 | 54.0° | 56.2° |
| C31 | C36 | C35 | H25 | 174.8° | 176.5° |
| C31 | C36 | H26 | H27 | 119.6° | 119.7° |
| C32 | C31 | C29 | H19 | 113.7° | 119.4° |
| C32 | C31 | C29 | N20 | 120.8° | 167.1° |
| C32 | C31 | C29 | O30 | 57.9° | 12.9° |
| C31 | C32 | H20 | H21 | 118.7° | 119.8° |
| C31 | C32 | C33 | H22 | 177.0° | 56.2° |
| C31 | C32 | C33 | H23 | 63.1° | 176.4° |
| C32 | C31 | C36 | H26 | 179.6° | 50.1° |
| C32 | C31 | C36 | H27 | 59.9° | 169.9° |
| C31 | C29 | N20 | C28 | 2.7° | 5.7° |
| C31 | C29 | N20 | O30 | 178.5° | 180.0° |
| C31 | C29 | N20 | C1 | 178.5° | 174.3° |
| C29 | C31 | C32 | H20 | 68.0° | 49.5° |
| C29 | C31 | C32 | H21 | 51.2° | 70.3° |
| C29 | C31 | C36 | H26 | 44.4° | 70.2° |
| C29 | C31 | C36 | H27 | 75.4° | 49.6° |
| C28 | N20 | C29 | C1 | 175.7° | 180.0° |
| C28 | N20 | C29 | O30 | 178.7° | 174.3° |
| C28 | N20 | C1 | C24 | 78.0° | 52.7° |
| C28 | N20 | C1 | C17 | 51.5° | 67.4° |
| C28 | N20 | C1 | H1 | 165.6° | 172.7° |
| N20 | C28 | H14 | H15 | 120.0° | 120.0° |
| N20 | C28 | H14 | H16 | 120.0° | 120.0° |
| N20 | C28 | H15 | H16 | 120.0° | 120.0° |
| C29 | N20 | C1 | C24 | 97.6° | 127.3° |
| C29 | N20 | C1 | C17 | 132.9° | 112.6° |
| C29 | N20 | C1 | H1 | 18.8° | 7.4° |
| C29 | N20 | C28 | H14 | 180.0° | 93.5° |
| C29 | N20 | C28 | H15 | 60.0° | 146.5° |
| C29 | N20 | C28 | H16 | 60.0° | 26.5° |
| N20 | C29 | C31 | H19 | 7.1° | 47.7° |
| O30 | C29 | N20 | C1 | 3.0° | 5.7° |
| O30 | C29 | C31 | H19 | 171.6° | 132.3° |
| N20 | C1 | C24 | F27 | 64.5° | 59.9° |
| N20 | C1 | C24 | F25 | 51.1° | 180.0° |
| N20 | C1 | C24 | C17 | 127.5° | 120.1° |
| N20 | C1 | C24 | H1 | 116.9° | 120.0° |
| N20 | C1 | C17 | H1 | 114.6° | 120.0° |
| N20 | C1 | C17 | C16 | 49.5° | 174.1° |
| N20 | C1 | C24 | F26 | 169.2° | 60.1° |
| N20 | C1 | C17 | C18 | 130.3° | 6.0° |
| C1 | N20 | C28 | H14 | 4.3° | 86.5° |
| C1 | N20 | C28 | H15 | 124.3° | 33.5° |
| C1 | N20 | C28 | H16 | 115.7° | 153.4° |
| F27 | C24 | F25 | C1 | 121.6° | 120.1° |
| F27 | C24 | F25 | F26 | 115.6° | 120.0° |
| F27 | C24 | C1 | F26 | 126.3° | 120.0° |
| F27 | C24 | C1 | C17 | 63.0° | 180.0° |
| F27 | C24 | C1 | H1 | 178.6° | 60.0° |
| F25 | C24 | C1 | F26 | 118.0° | 120.0° |
| F25 | C24 | C1 | C17 | 178.6° | 59.9° |
| F25 | C24 | C1 | H1 | 65.8° | 60.0° |
| C23 | C12 | O21 | C3 | 120.8° | 120.0° |
| C23 | C12 | O21 | H3 | 118.5° | 120.0° |
| C23 | C12 | O21 | C22 | 168.6° | 150.0° |
| C23 | C12 | C3 | H3 | 118.0° | 119.9° |
| C23 | C12 | C3 | C4 | 79.1° | 116.9° |
| C23 | C12 | C3 | N8 | 96.6° | 62.9° |
| C12 | C23 | H11 | H12 | 120.0° | 120.0° |
| C12 | C23 | H11 | H13 | 120.0° | 120.1° |
| C12 | C23 | H12 | H13 | 120.0° | 120.0° |
| C24 | C1 | C17 | H1 | 115.5° | 120.0° |
| C24 | C1 | C17 | C16 | 179.3° | 65.9° |
| C24 | C1 | C17 | C18 | 0.4° | 114.1° |
| C1 | C17 | C16 | C18 | 179.8° | 180.0° |
| C1 | C17 | C16 | C15 | 177.7° | 180.0° |
| C17 | C1 | C24 | F26 | 63.4° | 60.0° |
| C1 | C17 | C18 | C19 | 179.7° | 180.0° |
| C1 | C17 | C16 | H5 | 2.2° | 0.1° |
| C1 | C17 | C18 | H6 | 0.3° | 0.0° |
| C17 | C16 | C15 | H5 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 4.0° | 0.0° |
| C16 | C17 | C18 | C19 | 0.5° | 0.0° |
| C16 | C17 | C1 | H1 | 65.2° | 54.1° |
| C17 | C16 | C15 | H4 | 176.0° | 179.9° |
| C16 | C17 | C18 | H6 | 179.5° | 180.0° |
| C15 | C16 | C17 | C18 | 2.0° | 0.0° |
| C16 | C15 | C14 | H4 | 180.0° | 180.0° |
| C16 | C15 | C14 | C19 | 3.2° | 0.0° |
| C16 | C15 | C14 | N6 | 177.3° | 179.8° |
| O21 | C12 | C3 | H3 | 121.4° | 120.0° |
| O21 | C12 | C3 | C4 | 41.4° | 123.1° |
| O21 | C12 | C3 | N8 | 142.8° | 57.1° |
| C12 | O21 | C22 | H8 | 180.0° | 60.0° |
| C12 | O21 | C22 | H9 | 60.0° | 180.0° |
| C12 | O21 | C22 | H10 | 60.0° | 60.1° |
| O21 | C12 | C23 | H11 | 180.0° | 180.0° |
| O21 | C12 | C23 | H12 | 60.0° | 60.0° |
| O21 | C12 | C23 | H13 | 60.0° | 60.0° |
| C22 | O21 | C12 | C3 | 70.6° | 90.0° |
| C22 | O21 | C12 | H3 | 50.1° | 30.0° |
| O21 | C22 | H8 | H9 | 120.0° | 120.0° |
| O21 | C22 | H8 | H10 | 120.0° | 120.0° |
| O21 | C22 | H9 | H10 | 120.0° | 119.9° |
| F26 | C24 | C1 | H1 | 52.3° | 180.0° |
| C17 | C18 | C19 | H6 | 180.0° | 180.0° |
| C17 | C18 | C19 | C14 | 1.3° | 0.0° |
| C18 | C17 | C1 | H1 | 115.1° | 126.0° |
| C18 | C17 | C16 | H5 | 178.0° | 179.9° |
| C17 | C18 | C19 | H7 | 178.7° | 179.7° |
| C15 | C14 | C19 | C18 | 0.6° | 0.0° |
| C15 | C14 | C19 | N6 | 179.5° | 179.8° |
| C15 | C14 | N6 | C4 | 162.9° | 2.6° |
| C14 | C15 | C16 | H5 | 176.0° | 179.9° |
| C15 | C14 | C19 | H7 | 179.4° | 179.7° |
| C15 | C14 | N6 | H18 | 17.1° | 177.4° |
| C12 | C3 | C4 | N6 | 2.3° | 0.2° |
| C12 | C3 | C4 | N8 | 175.5° | 179.8° |
| C12 | C3 | C4 | C5 | 178.0° | 179.7° |
| C12 | C3 | N8 | N9 | 5.0° | 0.2° |
| C12 | C3 | N8 | C7 | 176.6° | 179.7° |
| C3 | C12 | C23 | H11 | 57.4° | 60.0° |
| C3 | C12 | C23 | H12 | 177.4° | 180.0° |
| C3 | C12 | C23 | H13 | 62.6° | 60.1° |
| C18 | C19 | C14 | H7 | 180.0° | 179.7° |
| C18 | C19 | C14 | N6 | 179.9° | 179.7° |
| C19 | C14 | N6 | C4 | 17.6° | 177.6° |
| C19 | C14 | C15 | H4 | 176.8° | 179.9° |
| C14 | C19 | C18 | H6 | 178.7° | 180.0° |
| C19 | C14 | N6 | H18 | 162.4° | 2.4° |
| C14 | N6 | C4 | H18 | 180.0° | 180.0° |
| C14 | N6 | C4 | C3 | 137.3° | 121.1° |
| C14 | N6 | C4 | C5 | 47.1° | 59.0° |
| N6 | C14 | C15 | H4 | 2.7° | 0.3° |
| N6 | C14 | C19 | H7 | 0.0° | 0.1° |
| N6 | C4 | C3 | C5 | 175.7° | 179.9° |
| N6 | C4 | C3 | N8 | 177.8° | 180.0° |
| N6 | C4 | C5 | N2 | 178.1° | 180.0° |
| N6 | C4 | C5 | H17 | 1.9° | 0.1° |
| C4 | C3 | N8 | N9 | 171.0° | 180.0° |
| C4 | C3 | N8 | C7 | 0.6° | 0.1° |
| C3 | C4 | C5 | N2 | 6.1° | 0.1° |
| C4 | C3 | C12 | H3 | 162.9° | 3.1° |
| C3 | C4 | C5 | H17 | 173.9° | 180.0° |
| C3 | C4 | N6 | H18 | 42.6° | 58.9° |
| N8 | C3 | C4 | C5 | 6.5° | 0.1° |
| C3 | N8 | N9 | C7 | 172.6° | 179.9° |
| C3 | N8 | N9 | C10 | 174.2° | 179.9° |
| C3 | N8 | C7 | N2 | 6.1° | 0.0° |
| C3 | N8 | C7 | C11 | 175.4° | 179.9° |
| N8 | C3 | C12 | H3 | 21.4° | 177.1° |
| C4 | C5 | N2 | H17 | 180.0° | 179.9° |
| C4 | C5 | N2 | C7 | 0.1° | 0.1° |
| C5 | C4 | N6 | H18 | 133.0° | 121.0° |
| N8 | N9 | C10 | CL1 | 179.9° | 179.9° |
| N8 | N9 | C10 | C11 | 0.9° | 0.0° |
| N9 | N8 | C7 | N2 | 179.6° | 180.0° |
| N9 | N8 | C7 | C11 | 1.9° | 0.0° |
| C10 | N9 | N8 | C7 | 1.7° | 0.0° |
| N9 | C10 | CL1 | C11 | 179.1° | 179.9° |
| N9 | C10 | C11 | C7 | 0.2° | 0.0° |
| N9 | C10 | C11 | H2 | 179.8° | 180.0° |
| N8 | C7 | N2 | C5 | 6.3° | 0.0° |
| N8 | C7 | C11 | C10 | 1.3° | 0.0° |
| N8 | C7 | N2 | C11 | 178.4° | 180.0° |
| N8 | C7 | C11 | H2 | 178.8° | 180.0° |
| C5 | N2 | C7 | C11 | 175.3° | 179.9° |
| CL1 | C10 | C11 | C7 | 179.0° | 179.9° |
| CL1 | C10 | C11 | H2 | 0.9° | 0.1° |
| C10 | C11 | C7 | N2 | 179.8° | 180.0° |
| C10 | C11 | C7 | H2 | 180.0° | 180.0° |
| N2 | C7 | C11 | H2 | 0.3° | 0.1° |
| C7 | N2 | C5 | H17 | 179.9° | 180.0° |
| H3 | C12 | C23 | H11 | 60.7° | 59.9° |
| H3 | C12 | C23 | H12 | 59.3° | 60.0° |
| H3 | C12 | C23 | H13 | 179.3° | 180.0° |
| H4 | C15 | C16 | H5 | 4.0° | 0.0° |
| H6 | C18 | C19 | H7 | 1.3° | 0.3° |
| H8 | C22 | H9 | H10 | 120.0° | 120.0° |
| H11 | C23 | H12 | H13 | 120.0° | 120.0° |
| H14 | C28 | H15 | H16 | 120.0° | 120.0° |
| H19 | C31 | C32 | H20 | 178.2° | 69.9° |
| H19 | C31 | C32 | H21 | 62.7° | 170.3° |
| H19 | C31 | C36 | H26 | 67.3° | 170.4° |
| H19 | C31 | C36 | H27 | 173.0° | 69.8° |
| H20 | C32 | C33 | H22 | 56.6° | 64.0° |
| H20 | C32 | C33 | H23 | 176.5° | 56.3° |
| H21 | C32 | C33 | H22 | 62.6° | 176.3° |
| H21 | C32 | C33 | H23 | 57.3° | 63.5° |
| H24 | C35 | C36 | H26 | 66.1° | 176.4° |
| H24 | C35 | C36 | H27 | 174.2° | 63.9° |
| H25 | C35 | C36 | H26 | 54.6° | 63.3° |
| H25 | C35 | C36 | H27 | 65.1° | 56.4° |
