DJW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F14 | C12 | sing | 1.40Å | 1.36Å | |
| F13 | C12 | sing | 1.40Å | 1.36Å | |
| C12 | F15 | sing | 1.40Å | 1.34Å | |
| C12 | C11 | sing | 1.53Å | 1.59Å | |
| C11 | C16 | sing | 1.54Å | 1.55Å | |
| C11 | N10 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.55Å | 1.53Å | |
| O19 | C9 | doub | 1.21Å | 1.22Å | |
| N35 | C36 | doub | 1.30Å | 1.35Å | Aromatic |
| N35 | N34 | sing | 1.40Å | 1.37Å | Aromatic |
| N10 | C9 | sing | 1.35Å | 1.39Å | |
| N10 | C18 | sing | 1.47Å | 1.48Å | |
| C36 | C37 | sing | 1.46Å | 1.44Å | Aromatic |
| C17 | C18 | sing | 1.55Å | 1.54Å | |
| C9 | C8 | sing | 1.51Å | 1.53Å | |
| N34 | C33 | sing | 1.37Å | 1.39Å | Aromatic |
| C37 | C33 | doub | 1.41Å | 1.43Å | Aromatic |
| C37 | C38 | sing | 1.40Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | C22 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| O2 | C3 | sing | 1.36Å | 1.35Å | |
| O2 | C1 | sing | 1.43Å | 1.42Å | |
| C8 | N7 | sing | 1.47Å | 1.46Å | |
| C3 | N24 | doub | 1.32Å | 1.36Å | Aromatic |
| C26 | N27 | sing | 1.47Å | 1.49Å | |
| C6 | N7 | sing | 1.40Å | 1.42Å | |
| C6 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C38 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| N7 | C20 | sing | 1.34Å | 1.42Å | |
| N24 | C23 | sing | 1.32Å | 1.35Å | Aromatic |
| O21 | C20 | doub | 1.21Å | 1.21Å | |
| C23 | C22 | sing | 1.51Å | 1.50Å | |
| C20 | C22 | sing | 1.51Å | 1.55Å | |
| C22 | C40 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | doub | 1.36Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.40Å | 1.41Å | Aromatic |
| C30 | C28 | sing | 1.48Å | 1.48Å | |
| N27 | C28 | sing | 1.35Å | 1.40Å | |
| N27 | C39 | sing | 1.47Å | 1.45Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C28 | O29 | doub | 1.22Å | 1.24Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C32 | H20 | sing | 1.08Å | 1.08Å | |
| N34 | H21 | sing | 0.97Å | 1.00Å | |
| C36 | H22 | sing | 1.08Å | 1.08Å | |
| C38 | H23 | sing | 1.08Å | 1.08Å | |
| C39 | H24 | sing | 1.09Å | 1.10Å | |
| C39 | H25 | sing | 1.09Å | 1.10Å | |
| C40 | H26 | sing | 1.09Å | 1.10Å | |
| C40 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F14 | C12 | F13 | 105.4° | 109.5° |
| F14 | C12 | F15 | 105.1° | 109.5° |
| F14 | C12 | C11 | 111.1° | 109.5° |
| F13 | C12 | F15 | 106.5° | 109.5° |
| F13 | C12 | C11 | 113.9° | 109.5° |
| F15 | C12 | C11 | 114.2° | 109.4° |
| C12 | C11 | C16 | 111.5° | 109.9° |
| C12 | C11 | N10 | 113.5° | 109.9° |
| C12 | C11 | H12 | 108.8° | 109.9° |
| C16 | C11 | N10 | 103.3° | 107.3° |
| C11 | C16 | C17 | 106.3° | 102.9° |
| C16 | C11 | H12 | 109.2° | 109.9° |
| C11 | C16 | H13 | 110.2° | 110.7° |
| C11 | C16 | H14 | 110.2° | 110.7° |
| C11 | N10 | C9 | 123.9° | 125.7° |
| C11 | N10 | C18 | 112.3° | 108.6° |
| N10 | C11 | H12 | 110.4° | 109.9° |
| C16 | C17 | C18 | 106.0° | 101.6° |
| C16 | C17 | H5 | 110.3° | 111.0° |
| C16 | C17 | H6 | 110.3° | 111.1° |
| C17 | C16 | H13 | 110.3° | 110.7° |
| C17 | C16 | H14 | 110.3° | 110.8° |
| O19 | C9 | N10 | 121.0° | 120.0° |
| O19 | C9 | C8 | 125.1° | 120.0° |
| C36 | N35 | N34 | 108.4° | 110.1° |
| N35 | C36 | C37 | 109.2° | 107.7° |
| N35 | C36 | H22 | 125.4° | 126.1° |
| N35 | N34 | C33 | 110.7° | 109.2° |
| N35 | N34 | H21 | 124.6° | 125.4° |
| C9 | N10 | C18 | 123.8° | 125.7° |
| N10 | C9 | C8 | 113.9° | 120.0° |
| N10 | C18 | C17 | 105.4° | 104.9° |
| N10 | C18 | H15 | 110.5° | 110.4° |
| N10 | C18 | H16 | 110.5° | 110.4° |
| C36 | C37 | C33 | 105.9° | 106.3° |
| C36 | C37 | C38 | 134.4° | 133.8° |
| C37 | C36 | H22 | 125.4° | 126.2° |
| C18 | C17 | H5 | 110.3° | 111.0° |
| C18 | C17 | H6 | 110.3° | 111.0° |
| C17 | C18 | H15 | 110.5° | 110.4° |
| C17 | C18 | H16 | 110.5° | 110.4° |
| C9 | C8 | N7 | 111.9° | 109.5° |
| C9 | C8 | H3 | 108.9° | 109.5° |
| C9 | C8 | H4 | 108.9° | 109.5° |
| N34 | C33 | C37 | 105.8° | 106.7° |
| N34 | C33 | C32 | 132.0° | 133.6° |
| C33 | N34 | H21 | 124.6° | 125.4° |
| C33 | C37 | C38 | 119.7° | 119.9° |
| C37 | C33 | C32 | 122.1° | 119.7° |
| C37 | C38 | C30 | 117.9° | 119.3° |
| C37 | C38 | H23 | 121.1° | 120.3° |
| C26 | C25 | C22 | 110.6° | 109.4° |
| C25 | C26 | N27 | 108.2° | 108.7° |
| C25 | C26 | H7 | 109.8° | 109.6° |
| C25 | C26 | H8 | 109.8° | 109.7° |
| C26 | C25 | H17 | 109.2° | 109.5° |
| C26 | C25 | H18 | 109.2° | 109.5° |
| C25 | C22 | C23 | 110.6° | 110.4° |
| C25 | C22 | C20 | 112.2° | 110.4° |
| C25 | C22 | C40 | 112.7° | 110.7° |
| C22 | C25 | H17 | 109.2° | 109.4° |
| C22 | C25 | H18 | 109.2° | 109.5° |
| C33 | C32 | C31 | 117.1° | 120.2° |
| C33 | C32 | H20 | 121.4° | 119.9° |
| C5 | C4 | C3 | 118.7° | 119.4° |
| C4 | C5 | C6 | 117.2° | 118.6° |
| C5 | C4 | H1 | 120.7° | 120.3° |
| C4 | C5 | H2 | 121.4° | 120.7° |
| C4 | C3 | O2 | 115.0° | 119.7° |
| C4 | C3 | N24 | 126.3° | 120.6° |
| C3 | C4 | H1 | 120.6° | 120.3° |
| C5 | C6 | N7 | 131.1° | 131.0° |
| C5 | C6 | C23 | 119.4° | 118.6° |
| C6 | C5 | H2 | 121.4° | 120.7° |
| C3 | O2 | C1 | 117.3° | 117.0° |
| O2 | C3 | N24 | 118.7° | 119.7° |
| O2 | C1 | H9 | 109.5° | 109.4° |
| O2 | C1 | H10 | 109.5° | 109.5° |
| O2 | C1 | H11 | 109.4° | 109.5° |
| C8 | N7 | C6 | 127.7° | 124.0° |
| C8 | N7 | C20 | 122.1° | 124.0° |
| N7 | C8 | H3 | 108.9° | 109.4° |
| N7 | C8 | H4 | 108.9° | 109.5° |
| C3 | N24 | C23 | 113.2° | 121.7° |
| C26 | N27 | C28 | 126.1° | 120.6° |
| C26 | N27 | C39 | 113.9° | 118.9° |
| N27 | C26 | H7 | 109.8° | 109.6° |
| N27 | C26 | H8 | 109.8° | 109.6° |
| N7 | C6 | C23 | 109.5° | 110.4° |
| C6 | N7 | C20 | 109.2° | 112.1° |
| C6 | C23 | N24 | 125.1° | 121.2° |
| C6 | C23 | C22 | 110.1° | 106.0° |
| C38 | C30 | C31 | 122.2° | 120.2° |
| C38 | C30 | C28 | 121.2° | 119.9° |
| C30 | C38 | H23 | 121.1° | 120.3° |
| N7 | C20 | O21 | 120.8° | 126.5° |
| N7 | C20 | C22 | 108.2° | 106.9° |
| N24 | C23 | C22 | 124.8° | 132.8° |
| O21 | C20 | C22 | 131.0° | 126.5° |
| C23 | C22 | C20 | 101.7° | 104.5° |
| C23 | C22 | C40 | 108.1° | 110.4° |
| C20 | C22 | C40 | 110.9° | 110.3° |
| C22 | C40 | C39 | 111.3° | 109.4° |
| C22 | C40 | H26 | 109.0° | 109.5° |
| C22 | C40 | H27 | 109.0° | 109.5° |
| C32 | C31 | C30 | 121.0° | 120.7° |
| C32 | C31 | H19 | 119.5° | 119.7° |
| C31 | C32 | H20 | 121.5° | 119.9° |
| C31 | C30 | C28 | 116.6° | 119.9° |
| C30 | C31 | H19 | 119.5° | 119.7° |
| C30 | C28 | N27 | 121.5° | 120.0° |
| C30 | C28 | O29 | 119.8° | 120.0° |
| C28 | N27 | C39 | 119.9° | 120.6° |
| N27 | C28 | O29 | 118.6° | 120.0° |
| N27 | C39 | C40 | 105.4° | 108.7° |
| N27 | C39 | H24 | 110.5° | 109.6° |
| N27 | C39 | H25 | 110.5° | 109.6° |
| C40 | C39 | H24 | 110.5° | 109.6° |
| C40 | C39 | H25 | 110.5° | 109.7° |
| C39 | C40 | H26 | 109.0° | 109.5° |
| C39 | C40 | H27 | 109.0° | 109.4° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.4° | 110.9° |
| H7 | C26 | H8 | 109.5° | 109.6° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H11 | 109.4° | 109.4° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 110.8° |
| H15 | C18 | H16 | 109.5° | 110.4° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H24 | C39 | H25 | 109.5° | 109.6° |
| H26 | C40 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F14 | C12 | F13 | F15 | 111.3° | 120.0° |
| F14 | C12 | F13 | C11 | 122.0° | 120.0° |
| F14 | C12 | F15 | C11 | 121.9° | 120.0° |
| F14 | C12 | C11 | C16 | 67.6° | 61.4° |
| F14 | C12 | C11 | N10 | 176.3° | 179.3° |
| F14 | C12 | C11 | H12 | 52.9° | 59.7° |
| F13 | C12 | F15 | C11 | 126.6° | 120.0° |
| F13 | C12 | C11 | C16 | 173.6° | 178.5° |
| F13 | C12 | C11 | N10 | 57.5° | 60.7° |
| F13 | C12 | C11 | H12 | 65.9° | 60.3° |
| F15 | C12 | C11 | C16 | 51.0° | 58.5° |
| F15 | C12 | C11 | N10 | 65.2° | 59.3° |
| F15 | C12 | C11 | H12 | 171.5° | 179.6° |
| C12 | C11 | C16 | N10 | 122.2° | 119.4° |
| C12 | C11 | C16 | H12 | 120.3° | 121.1° |
| C12 | C11 | N10 | H12 | 122.4° | 121.1° |
| C12 | C11 | C16 | C17 | 96.6° | 141.6° |
| C12 | C11 | N10 | C9 | 84.0° | 61.6° |
| C12 | C11 | N10 | C18 | 96.5° | 118.4° |
| C12 | C11 | C16 | H13 | 22.9° | 100.0° |
| C12 | C11 | C16 | H14 | 143.8° | 23.2° |
| C16 | C11 | N10 | H12 | 116.7° | 119.5° |
| C11 | C16 | C17 | H13 | 119.5° | 118.3° |
| C11 | C16 | C17 | H14 | 119.5° | 118.3° |
| C16 | C11 | N10 | C9 | 155.1° | 178.9° |
| C16 | C11 | N10 | C18 | 24.4° | 1.0° |
| C11 | C16 | C17 | C18 | 18.2° | 35.5° |
| C11 | C16 | C17 | H5 | 101.2° | 153.6° |
| C11 | C16 | C17 | H6 | 137.7° | 82.6° |
| C11 | C16 | H13 | H14 | 121.4° | 123.2° |
| N10 | C11 | C16 | C17 | 25.6° | 22.2° |
| C11 | N10 | C9 | O19 | 3.7° | 0.0° |
| C11 | N10 | C9 | C18 | 179.4° | 179.9° |
| C11 | N10 | C18 | C17 | 13.3° | 24.1° |
| C11 | N10 | C9 | C8 | 177.6° | 180.0° |
| N10 | C11 | C16 | H13 | 145.1° | 140.5° |
| N10 | C11 | C16 | H14 | 94.0° | 96.2° |
| C11 | N10 | C18 | H15 | 132.7° | 94.8° |
| C11 | N10 | C18 | H16 | 106.0° | 143.0° |
| C16 | C17 | C18 | N10 | 3.8° | 37.0° |
| C16 | C17 | C18 | H5 | 119.5° | 118.1° |
| C16 | C17 | C18 | H6 | 119.5° | 118.1° |
| C16 | C17 | H5 | H6 | 121.6° | 123.9° |
| C17 | C16 | C11 | H12 | 143.1° | 97.2° |
| C17 | C16 | H13 | H14 | 121.5° | 123.4° |
| C16 | C17 | C18 | H15 | 115.5° | 81.8° |
| C16 | C17 | C18 | H16 | 123.2° | 155.9° |
| O19 | C9 | N10 | C8 | 178.7° | 180.0° |
| O19 | C9 | N10 | C18 | 176.9° | 179.9° |
| O19 | C9 | C8 | N7 | 17.2° | 0.0° |
| O19 | C9 | C8 | H3 | 103.1° | 120.0° |
| O19 | C9 | C8 | H4 | 137.6° | 120.0° |
| N35 | C36 | C37 | H22 | 180.0° | 180.0° |
| C36 | N35 | N34 | C33 | 0.2° | 0.0° |
| N35 | C36 | C37 | C33 | 0.1° | 0.0° |
| N35 | C36 | C37 | C38 | 178.4° | 179.7° |
| C36 | N35 | N34 | H21 | 179.8° | 180.0° |
| N34 | N35 | C36 | C37 | 0.2° | 0.0° |
| N35 | N34 | C33 | H21 | 180.0° | 180.0° |
| N35 | N34 | C33 | C37 | 0.1° | 0.0° |
| N35 | N34 | C33 | C32 | 178.8° | 180.0° |
| N34 | N35 | C36 | H22 | 179.8° | 180.0° |
| C9 | N10 | C18 | C17 | 166.1° | 155.8° |
| N10 | C9 | C8 | N7 | 164.1° | 180.0° |
| N10 | C9 | C8 | H3 | 75.5° | 60.0° |
| N10 | C9 | C8 | H4 | 43.8° | 60.0° |
| C9 | N10 | C11 | H12 | 38.4° | 59.4° |
| C9 | N10 | C18 | H15 | 46.8° | 85.3° |
| C9 | N10 | C18 | H16 | 74.5° | 36.9° |
| N10 | C18 | C17 | H15 | 119.4° | 118.9° |
| N10 | C18 | C17 | H16 | 119.4° | 118.9° |
| C18 | N10 | C9 | C8 | 1.8° | 0.0° |
| N10 | C18 | C17 | H5 | 115.6° | 155.1° |
| N10 | C18 | C17 | H6 | 123.3° | 81.1° |
| C18 | N10 | C11 | H12 | 141.1° | 120.5° |
| N10 | C18 | H15 | H16 | 121.9° | 122.3° |
| C36 | C37 | C33 | N34 | 0.0° | 0.0° |
| C36 | C37 | C33 | C38 | 178.8° | 179.8° |
| C36 | C37 | C33 | C32 | 179.1° | 180.0° |
| C36 | C37 | C38 | C30 | 177.7° | 179.8° |
| C36 | C37 | C38 | H23 | 2.3° | 0.1° |
| C18 | C17 | H5 | H6 | 121.6° | 123.9° |
| C18 | C17 | C16 | H13 | 137.7° | 153.8° |
| C18 | C17 | C16 | H14 | 101.3° | 82.8° |
| C17 | C18 | H15 | H16 | 121.9° | 122.3° |
| C9 | C8 | N7 | H3 | 120.4° | 120.0° |
| C9 | C8 | N7 | H4 | 120.4° | 120.0° |
| C9 | C8 | N7 | C6 | 77.5° | 90.0° |
| C9 | C8 | N7 | C20 | 90.1° | 90.0° |
| C9 | C8 | H3 | H4 | 118.9° | 120.0° |
| N34 | C33 | C37 | C32 | 179.1° | 180.0° |
| N34 | C33 | C37 | C38 | 178.8° | 179.8° |
| N34 | C33 | C32 | C31 | 178.0° | 180.0° |
| N34 | C33 | C32 | H20 | 2.0° | 0.1° |
| C33 | C37 | C38 | C30 | 0.6° | 0.5° |
| C37 | C33 | C32 | C31 | 0.8° | 0.1° |
| C37 | C33 | C32 | H20 | 179.2° | 180.0° |
| C37 | C33 | N34 | H21 | 179.9° | 180.0° |
| C33 | C37 | C36 | H22 | 179.9° | 180.0° |
| C33 | C37 | C38 | H23 | 179.3° | 179.7° |
| C38 | C37 | C33 | C32 | 0.3° | 0.2° |
| C37 | C38 | C30 | H23 | 180.0° | 179.8° |
| C37 | C38 | C30 | C31 | 1.0° | 0.5° |
| C37 | C38 | C30 | C28 | 179.6° | 179.7° |
| C38 | C37 | C36 | H22 | 1.6° | 0.2° |
| C26 | C25 | C22 | H17 | 120.2° | 119.9° |
| C26 | C25 | C22 | H18 | 120.2° | 120.0° |
| C25 | C26 | N27 | H7 | 119.8° | 119.8° |
| C25 | C26 | N27 | H8 | 119.8° | 119.9° |
| C26 | C25 | C22 | C23 | 170.4° | 177.3° |
| C26 | C25 | C22 | C20 | 76.8° | 62.2° |
| C26 | C25 | C22 | C40 | 49.3° | 60.1° |
| C25 | C26 | N27 | C28 | 113.7° | 126.0° |
| C25 | C26 | N27 | C39 | 64.0° | 54.1° |
| C25 | C26 | H7 | H8 | 120.6° | 120.4° |
| C26 | C25 | H17 | H18 | 119.5° | 120.1° |
| C22 | C25 | C26 | N27 | 51.8° | 53.9° |
| C25 | C22 | C23 | C6 | 128.3° | 118.8° |
| C25 | C22 | C20 | N7 | 129.6° | 118.8° |
| C25 | C22 | C23 | N24 | 53.8° | 61.2° |
| C25 | C22 | C20 | O21 | 51.1° | 61.2° |
| C25 | C22 | C23 | C20 | 119.4° | 118.7° |
| C25 | C22 | C23 | C40 | 123.8° | 122.7° |
| C25 | C22 | C20 | C40 | 127.1° | 122.6° |
| C25 | C22 | C40 | C39 | 53.5° | 60.2° |
| C22 | C25 | C26 | H7 | 171.6° | 173.7° |
| C22 | C25 | C26 | H8 | 68.0° | 66.0° |
| C22 | C25 | H17 | H18 | 119.5° | 120.0° |
| C25 | C22 | C40 | H26 | 173.8° | 179.8° |
| C25 | C22 | C40 | H27 | 66.7° | 59.8° |
| C33 | C32 | C31 | H20 | 180.0° | 179.9° |
| C33 | C32 | C31 | C30 | 0.4° | 0.1° |
| C33 | C32 | C31 | H19 | 179.6° | 180.0° |
| C32 | C33 | N34 | H21 | 1.1° | 0.1° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | O2 | 179.5° | 180.0° |
| C5 | C4 | C3 | N24 | 1.0° | 0.0° |
| C4 | C5 | C6 | N7 | 179.0° | 180.0° |
| C4 | C5 | C6 | C23 | 0.6° | 0.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C4 | C3 | O2 | N24 | 179.6° | 180.0° |
| C4 | C3 | O2 | C1 | 178.3° | 180.0° |
| C4 | C3 | N24 | C23 | 0.7° | 0.1° |
| C3 | C4 | C5 | H2 | 179.7° | 180.0° |
| C5 | C6 | N7 | C8 | 6.4° | 0.0° |
| C5 | C6 | N7 | C23 | 179.6° | 180.0° |
| C5 | C6 | N7 | C20 | 175.3° | 180.0° |
| C5 | C6 | C23 | N24 | 1.0° | 0.1° |
| C5 | C6 | C23 | C22 | 176.9° | 179.9° |
| C6 | C5 | C4 | H1 | 179.7° | 179.7° |
| O2 | C3 | N24 | C23 | 179.8° | 179.9° |
| O2 | C3 | C4 | H1 | 0.6° | 0.3° |
| C3 | O2 | C1 | H9 | 180.0° | 180.0° |
| C3 | O2 | C1 | H10 | 60.0° | 60.0° |
| C3 | O2 | C1 | H11 | 60.0° | 60.1° |
| C1 | O2 | C3 | N24 | 2.2° | 0.0° |
| O2 | C1 | H9 | H10 | 120.0° | 120.0° |
| O2 | C1 | H9 | H11 | 120.0° | 120.0° |
| O2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C8 | N7 | C6 | C20 | 168.9° | 180.0° |
| C8 | N7 | C6 | C23 | 173.3° | 180.0° |
| C8 | N7 | C20 | O21 | 0.8° | 0.0° |
| C8 | N7 | C20 | C22 | 179.8° | 180.0° |
| N7 | C8 | H3 | H4 | 118.9° | 120.0° |
| C3 | N24 | C23 | C6 | 0.3° | 0.1° |
| C3 | N24 | C23 | C22 | 177.2° | 179.9° |
| N24 | C3 | C4 | H1 | 178.9° | 179.7° |
| C26 | N27 | C28 | C30 | 4.0° | 174.1° |
| C26 | N27 | C28 | C39 | 177.5° | 179.9° |
| C26 | N27 | C39 | C40 | 66.3° | 54.0° |
| C26 | N27 | C28 | O29 | 173.2° | 5.9° |
| N27 | C26 | H7 | H8 | 120.6° | 120.3° |
| N27 | C26 | C25 | H17 | 172.0° | 66.1° |
| N27 | C26 | C25 | H18 | 68.3° | 173.9° |
| C26 | N27 | C39 | H24 | 174.3° | 173.8° |
| C26 | N27 | C39 | H25 | 53.0° | 65.8° |
| N7 | C6 | C23 | N24 | 178.7° | 179.9° |
| C6 | N7 | C20 | O21 | 170.5° | 180.0° |
| N7 | C6 | C23 | C22 | 3.4° | 0.1° |
| C6 | N7 | C20 | C22 | 10.1° | 0.1° |
| N7 | C6 | C5 | H2 | 1.0° | 0.0° |
| C6 | N7 | C8 | H3 | 162.2° | 150.0° |
| C6 | N7 | C8 | H4 | 42.9° | 30.0° |
| C23 | C6 | N7 | C20 | 4.4° | 0.0° |
| C6 | C23 | N24 | C22 | 177.5° | 180.0° |
| C6 | C23 | C22 | C20 | 9.0° | 0.1° |
| C6 | C23 | C22 | C40 | 107.9° | 118.5° |
| C23 | C6 | C5 | H2 | 179.4° | 180.0° |
| C38 | C30 | C31 | C32 | 0.5° | 0.2° |
| C38 | C30 | C31 | C28 | 178.6° | 179.8° |
| C38 | C30 | C28 | N27 | 52.8° | 42.0° |
| C38 | C30 | C28 | O29 | 130.0° | 138.1° |
| C38 | C30 | C31 | H19 | 179.5° | 179.7° |
| N7 | C20 | O21 | C22 | 179.2° | 180.0° |
| N7 | C20 | C22 | C23 | 11.5° | 0.1° |
| N7 | C20 | C22 | C40 | 103.3° | 118.6° |
| C20 | N7 | C8 | H3 | 30.2° | 30.0° |
| C20 | N7 | C8 | H4 | 149.5° | 150.0° |
| N24 | C23 | C22 | C20 | 173.2° | 179.9° |
| N24 | C23 | C22 | C40 | 70.0° | 61.5° |
| O21 | C20 | C22 | C23 | 169.2° | 179.9° |
| O21 | C20 | C22 | C40 | 76.0° | 61.4° |
| C23 | C22 | C20 | C40 | 114.7° | 118.7° |
| C23 | C22 | C40 | C39 | 176.0° | 177.3° |
| C23 | C22 | C25 | H17 | 69.5° | 62.7° |
| C23 | C22 | C25 | H18 | 50.2° | 57.3° |
| C23 | C22 | C40 | H26 | 63.7° | 57.3° |
| C23 | C22 | C40 | H27 | 55.7° | 62.8° |
| C20 | C22 | C40 | C39 | 73.3° | 62.2° |
| C20 | C22 | C25 | H17 | 43.3° | 177.8° |
| C20 | C22 | C25 | H18 | 163.0° | 57.8° |
| C20 | C22 | C40 | H26 | 47.0° | 57.8° |
| C20 | C22 | C40 | H27 | 166.4° | 177.8° |
| C22 | C40 | C39 | N27 | 58.8° | 53.9° |
| C22 | C40 | C39 | H26 | 120.3° | 120.0° |
| C22 | C40 | C39 | H27 | 120.3° | 120.0° |
| C40 | C22 | C25 | H17 | 169.5° | 59.8° |
| C40 | C22 | C25 | H18 | 70.9° | 179.8° |
| C22 | C40 | C39 | H24 | 178.2° | 173.7° |
| C22 | C40 | C39 | H25 | 60.5° | 65.9° |
| C22 | C40 | H26 | H27 | 119.1° | 120.0° |
| C32 | C31 | C30 | H19 | 180.0° | 180.0° |
| C32 | C31 | C30 | C28 | 179.1° | 180.0° |
| C31 | C30 | C28 | N27 | 128.6° | 138.2° |
| C31 | C30 | C28 | O29 | 48.6° | 41.7° |
| C30 | C31 | C32 | H20 | 179.6° | 180.0° |
| C31 | C30 | C38 | H23 | 178.9° | 179.7° |
| C30 | C28 | N27 | O29 | 177.2° | 179.9° |
| C30 | C28 | N27 | C39 | 173.5° | 5.8° |
| C28 | C30 | C31 | H19 | 0.9° | 0.0° |
| C28 | C30 | C38 | H23 | 0.4° | 0.1° |
| C28 | N27 | C39 | C40 | 111.5° | 126.0° |
| C28 | N27 | C26 | H7 | 6.1° | 6.2° |
| C28 | N27 | C26 | H8 | 126.5° | 114.1° |
| C28 | N27 | C39 | H24 | 7.9° | 6.2° |
| C28 | N27 | C39 | H25 | 129.2° | 114.1° |
| N27 | C39 | C40 | H24 | 119.4° | 119.8° |
| N27 | C39 | C40 | H25 | 119.4° | 119.8° |
| C39 | N27 | C28 | O29 | 9.3° | 174.1° |
| C39 | N27 | C26 | H7 | 176.3° | 173.9° |
| C39 | N27 | C26 | H8 | 55.8° | 65.9° |
| N27 | C39 | H24 | H25 | 121.9° | 120.3° |
| N27 | C39 | C40 | H26 | 179.1° | 173.9° |
| N27 | C39 | C40 | H27 | 61.4° | 66.1° |
| C40 | C39 | H24 | H25 | 121.9° | 120.4° |
| C39 | C40 | H26 | H27 | 119.2° | 120.0° |
| H1 | C4 | C5 | H2 | 0.3° | 0.3° |
| H5 | C17 | C16 | H13 | 18.2° | 88.1° |
| H5 | C17 | C16 | H14 | 139.3° | 35.3° |
| H5 | C17 | C18 | H15 | 125.0° | 36.2° |
| H5 | C17 | C18 | H16 | 3.7° | 86.0° |
| H6 | C17 | C16 | H13 | 102.8° | 35.7° |
| H6 | C17 | C16 | H14 | 18.2° | 159.1° |
| H6 | C17 | C18 | H15 | 3.9° | 160.0° |
| H6 | C17 | C18 | H16 | 117.3° | 37.8° |
| H7 | C26 | C25 | H17 | 68.2° | 53.8° |
| H7 | C26 | C25 | H18 | 51.4° | 66.3° |
| H8 | C26 | C25 | H17 | 52.2° | 174.1° |
| H8 | C26 | C25 | H18 | 171.8° | 54.0° |
| H9 | C1 | H10 | H11 | 120.0° | 120.0° |
| H12 | C11 | C16 | H13 | 97.4° | 21.1° |
| H12 | C11 | C16 | H14 | 23.6° | 144.4° |
| H19 | C31 | C32 | H20 | 0.4° | 0.1° |
| H24 | C39 | C40 | H26 | 61.6° | 66.3° |
| H24 | C39 | C40 | H27 | 57.9° | 53.8° |
| H25 | C39 | C40 | H26 | 59.7° | 54.1° |
| H25 | C39 | C40 | H27 | 179.2° | 174.2° |
