SXP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C36 | sing | 1.74Å | 1.71Å | |
| O8 | C20 | sing | 1.43Å | 1.39Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.41Å | Aromatic |
| C35 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | O7 | sing | 1.43Å | 1.42Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| O7 | C18 | sing | 1.43Å | 1.42Å | |
| O9 | C21 | sing | 1.43Å | 1.39Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C34 | C39 | doub | 1.39Å | 1.40Å | Aromatic |
| C34 | N8 | sing | 1.40Å | 1.45Å | |
| C38 | C39 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C31 | sing | 1.51Å | 1.50Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C39 | CL2 | sing | 1.74Å | 1.69Å | |
| N8 | C31 | sing | 1.35Å | 1.39Å | Aromatic |
| N8 | N7 | sing | 1.40Å | 1.38Å | Aromatic |
| C31 | N6 | doub | 1.31Å | 1.36Å | Aromatic |
| C22 | C17 | sing | 1.53Å | 1.54Å | |
| C22 | N3 | sing | 1.46Å | 1.45Å | |
| N7 | C32 | doub | 1.31Å | 1.36Å | Aromatic |
| C17 | O6 | sing | 1.43Å | 1.40Å | |
| N6 | C32 | sing | 1.33Å | 1.43Å | Aromatic |
| C32 | C33 | sing | 1.51Å | 1.48Å | |
| N3 | C23 | sing | 1.35Å | 1.40Å | Aromatic |
| N3 | N5 | sing | 1.29Å | 1.37Å | Aromatic |
| C23 | C24 | doub | 1.36Å | 1.38Å | Aromatic |
| N5 | N4 | doub | 1.29Å | 1.27Å | Aromatic |
| O6 | C16 | sing | 1.43Å | 1.39Å | |
| F1 | C29 | sing | 1.35Å | 1.32Å | |
| C30 | C29 | doub | 1.38Å | 1.42Å | Aromatic |
| C30 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| C24 | N4 | sing | 1.35Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.49Å | 1.44Å | |
| C29 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.54Å | |
| C28 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | CL | sing | 1.74Å | 1.64Å | |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| O5 | C15 | doub | 1.21Å | 1.21Å | |
| C27 | F | sing | 1.35Å | 1.32Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | O1 | sing | 1.34Å | 1.03Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.08Å | 1.08Å | |
| C37 | H40 | sing | 1.08Å | 1.08Å | |
| C35 | H39 | sing | 1.08Å | 1.08Å | |
| O9 | H31 | sing | 0.97Å | 0.95Å | |
| O8 | H29 | sing | 0.97Å | 0.95Å | |
| C30 | H35 | sing | 1.08Å | 1.08Å | |
| C26 | H34 | sing | 1.08Å | 1.08Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C36 | C35 | 116.9° | 120.0° |
| CL1 | C36 | C37 | 120.0° | 119.9° |
| O8 | C20 | C19 | 108.6° | 109.5° |
| O8 | C20 | H28 | 109.7° | 109.5° |
| O8 | C20 | H27 | 109.7° | 109.5° |
| C20 | O8 | H29 | 109.5° | 114.0° |
| C20 | C19 | O7 | 108.3° | 109.5° |
| C20 | C19 | C21 | 108.0° | 109.5° |
| C20 | C19 | H26 | 110.2° | 109.5° |
| C19 | C20 | H28 | 109.7° | 109.5° |
| C19 | C20 | H27 | 109.7° | 109.5° |
| C35 | C36 | C37 | 123.1° | 120.1° |
| C36 | C35 | C34 | 118.4° | 119.9° |
| C36 | C35 | H39 | 120.8° | 120.1° |
| C36 | C37 | C38 | 118.1° | 120.1° |
| C36 | C37 | H40 | 121.0° | 120.0° |
| C35 | C34 | C39 | 119.8° | 119.8° |
| C35 | C34 | N8 | 118.9° | 120.1° |
| C34 | C35 | H39 | 120.8° | 120.0° |
| C37 | C38 | C39 | 119.3° | 120.0° |
| C37 | C38 | H41 | 120.4° | 120.0° |
| C38 | C37 | H40 | 121.0° | 119.9° |
| O7 | C19 | C21 | 107.5° | 109.4° |
| C19 | O7 | C18 | 111.8° | 114.1° |
| O7 | C19 | H26 | 112.1° | 109.5° |
| C19 | C21 | O9 | 111.6° | 109.5° |
| C19 | C21 | C22 | 106.7° | 109.2° |
| C21 | C19 | H26 | 110.6° | 109.5° |
| C19 | C21 | H30 | 108.4° | 109.5° |
| O7 | C18 | C31 | 106.2° | 109.5° |
| O7 | C18 | C17 | 109.3° | 109.4° |
| O7 | C18 | H25 | 111.2° | 109.5° |
| O9 | C21 | C22 | 111.5° | 109.5° |
| O9 | C21 | H30 | 110.3° | 109.6° |
| C21 | O9 | H31 | 109.5° | 114.0° |
| C21 | C22 | C17 | 109.7° | 109.0° |
| C21 | C22 | N3 | 110.4° | 109.5° |
| C22 | C21 | H30 | 108.2° | 109.5° |
| C21 | C22 | H32 | 108.6° | 109.5° |
| C39 | C34 | N8 | 121.3° | 120.1° |
| C34 | C39 | C38 | 121.4° | 120.0° |
| C34 | C39 | CL2 | 120.8° | 120.0° |
| C34 | N8 | C31 | 128.5° | 126.8° |
| C34 | N8 | N7 | 121.6° | 126.8° |
| C38 | C39 | CL2 | 117.9° | 120.0° |
| C39 | C38 | H41 | 120.4° | 120.0° |
| C31 | C18 | C17 | 110.7° | 109.5° |
| C18 | C31 | N8 | 122.7° | 126.0° |
| C18 | C31 | N6 | 127.7° | 125.9° |
| C31 | C18 | H25 | 109.9° | 109.5° |
| C18 | C17 | C22 | 105.9° | 109.2° |
| C18 | C17 | O6 | 102.8° | 109.5° |
| C17 | C18 | H25 | 109.4° | 109.5° |
| C18 | C17 | H24 | 112.4° | 109.5° |
| C31 | N8 | N7 | 109.9° | 106.4° |
| N8 | C31 | N6 | 109.5° | 108.0° |
| N8 | N7 | C32 | 104.3° | 106.8° |
| C31 | N6 | C32 | 103.7° | 109.8° |
| C17 | C22 | N3 | 109.5° | 109.6° |
| C22 | C17 | O6 | 107.4° | 109.5° |
| C22 | C17 | H24 | 112.4° | 109.6° |
| C17 | C22 | H32 | 108.7° | 109.6° |
| C22 | N3 | C23 | 129.2° | 125.7° |
| C22 | N3 | N5 | 121.1° | 125.8° |
| N3 | C22 | H32 | 109.9° | 109.6° |
| N7 | C32 | N6 | 112.5° | 109.0° |
| N7 | C32 | C33 | 123.5° | 125.5° |
| C17 | O6 | C16 | 114.5° | 114.0° |
| O6 | C17 | H24 | 115.0° | 109.5° |
| N6 | C32 | C33 | 123.9° | 125.5° |
| C32 | C33 | H38 | 109.5° | 109.4° |
| C32 | C33 | H36 | 109.5° | 109.5° |
| C32 | C33 | H37 | 109.5° | 109.5° |
| C23 | N3 | N5 | 109.7° | 108.5° |
| N3 | C23 | C24 | 104.3° | 106.0° |
| N3 | C23 | H33 | 127.8° | 127.0° |
| N3 | N5 | N4 | 108.8° | 110.5° |
| C23 | C24 | N4 | 107.1° | 106.2° |
| C23 | C24 | C25 | 128.7° | 126.9° |
| C24 | C23 | H33 | 127.9° | 127.0° |
| N5 | N4 | C24 | 110.1° | 108.8° |
| O6 | C16 | C15 | 105.9° | 109.5° |
| O6 | C16 | H22 | 110.4° | 109.5° |
| O6 | C16 | H23 | 110.3° | 109.5° |
| F1 | C29 | C30 | 120.1° | 120.0° |
| F1 | C29 | C28 | 118.9° | 119.9° |
| C29 | C30 | C25 | 118.2° | 119.9° |
| C30 | C29 | C28 | 120.9° | 120.1° |
| C29 | C30 | H35 | 120.9° | 120.0° |
| C30 | C25 | C24 | 119.8° | 120.1° |
| C30 | C25 | C26 | 120.7° | 119.9° |
| C25 | C30 | H35 | 120.9° | 120.1° |
| N4 | C24 | C25 | 124.0° | 126.9° |
| C24 | C25 | C26 | 119.3° | 120.1° |
| C29 | C28 | C27 | 120.0° | 120.2° |
| C29 | C28 | CL | 121.5° | 119.9° |
| C25 | C26 | C27 | 118.2° | 119.9° |
| C25 | C26 | H34 | 120.9° | 120.1° |
| C16 | C15 | O5 | 120.8° | 120.0° |
| C15 | C16 | H22 | 110.4° | 109.4° |
| C15 | C16 | H23 | 110.3° | 109.4° |
| C16 | C15 | O1 | 119.6° | 120.0° |
| C27 | C28 | CL | 118.5° | 119.9° |
| C28 | C27 | C26 | 121.9° | 120.1° |
| C28 | C27 | F | 119.1° | 120.0° |
| C26 | C27 | F | 118.9° | 119.9° |
| C27 | C26 | H34 | 120.9° | 120.0° |
| O5 | C15 | O1 | 119.6° | 120.0° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| C15 | O1 | H2 | 109.5° | 117.0° |
| H28 | C20 | H27 | 109.5° | 109.5° |
| H38 | C33 | H36 | 109.5° | 109.5° |
| H38 | C33 | H37 | 109.5° | 109.4° |
| H36 | C33 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C36 | C35 | C37 | 180.0° | 179.4° |
| CL1 | C36 | C35 | C34 | 179.9° | 180.0° |
| CL1 | C36 | C37 | C38 | 179.7° | 179.7° |
| CL1 | C36 | C37 | H40 | 0.3° | 0.3° |
| CL1 | C36 | C35 | H39 | 0.1° | 0.5° |
| O8 | C20 | C19 | H28 | 119.9° | 120.0° |
| O8 | C20 | C19 | H27 | 119.9° | 120.0° |
| O8 | C20 | C19 | O7 | 66.7° | 65.0° |
| O8 | C20 | C19 | C21 | 177.2° | 175.1° |
| O8 | C20 | C19 | H26 | 56.3° | 55.0° |
| O8 | C20 | H28 | H27 | 120.3° | 120.0° |
| C20 | C19 | O7 | C21 | 116.5° | 120.0° |
| C20 | C19 | O7 | H26 | 121.8° | 120.0° |
| C20 | C19 | C21 | H26 | 120.7° | 120.1° |
| C20 | C19 | O7 | C18 | 176.1° | 178.9° |
| C20 | C19 | C21 | O9 | 56.6° | 57.7° |
| C20 | C19 | C21 | C22 | 178.6° | 177.6° |
| C19 | C20 | H28 | H27 | 120.4° | 120.0° |
| C20 | C19 | C21 | H30 | 65.1° | 62.5° |
| C19 | C20 | O8 | H29 | 180.0° | 180.0° |
| C36 | C35 | C34 | H39 | 180.0° | 179.5° |
| C35 | C36 | C37 | C38 | 0.3° | 0.3° |
| C36 | C35 | C34 | C39 | 0.4° | 0.5° |
| C36 | C35 | C34 | N8 | 179.0° | 179.7° |
| C35 | C36 | C37 | H40 | 179.7° | 179.7° |
| C37 | C36 | C35 | C34 | 0.1° | 0.5° |
| C36 | C37 | C38 | H40 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.4° | 0.0° |
| C36 | C37 | C38 | H41 | 179.6° | 180.0° |
| C37 | C36 | C35 | H39 | 179.9° | 179.9° |
| C35 | C34 | C39 | N8 | 178.5° | 179.7° |
| C35 | C34 | C39 | C38 | 0.3° | 0.3° |
| C35 | C34 | C39 | CL2 | 179.1° | 179.7° |
| C35 | C34 | N8 | C31 | 70.2° | 48.0° |
| C35 | C34 | N8 | N7 | 110.0° | 132.0° |
| C37 | C38 | C39 | C34 | 0.1° | 0.0° |
| C37 | C38 | C39 | H41 | 180.0° | 180.0° |
| C37 | C38 | C39 | CL2 | 179.6° | 180.0° |
| O7 | C19 | C21 | H26 | 122.7° | 120.0° |
| O7 | C19 | C21 | O9 | 60.1° | 62.3° |
| O7 | C19 | C21 | C22 | 61.9° | 57.6° |
| C19 | O7 | C18 | C31 | 173.6° | 178.9° |
| C19 | O7 | C18 | C17 | 66.9° | 61.1° |
| C19 | O7 | C18 | H25 | 54.0° | 58.8° |
| O7 | C19 | C20 | H28 | 53.2° | 175.0° |
| O7 | C19 | C20 | H27 | 173.5° | 55.0° |
| O7 | C19 | C21 | H30 | 178.3° | 177.5° |
| C21 | C19 | O7 | C18 | 67.4° | 61.1° |
| C19 | C21 | O9 | C22 | 119.2° | 119.7° |
| C19 | C21 | O9 | H30 | 120.5° | 120.2° |
| C19 | C21 | C22 | H30 | 116.5° | 119.9° |
| C19 | C21 | C22 | C17 | 60.0° | 57.0° |
| C19 | C21 | C22 | N3 | 179.2° | 176.9° |
| C21 | C19 | C20 | H28 | 63.0° | 55.1° |
| C21 | C19 | C20 | H27 | 57.3° | 65.0° |
| C19 | C21 | C22 | H32 | 58.6° | 62.9° |
| C19 | C21 | O9 | H31 | 180.0° | 59.9° |
| O7 | C18 | C31 | C17 | 118.6° | 119.9° |
| O7 | C18 | C31 | H25 | 120.4° | 120.0° |
| O7 | C18 | C17 | H25 | 122.0° | 120.0° |
| O7 | C18 | C31 | N8 | 87.7° | 128.6° |
| O7 | C18 | C31 | N6 | 92.2° | 51.1° |
| O7 | C18 | C17 | C22 | 59.7° | 57.6° |
| O7 | C18 | C17 | O6 | 172.3° | 177.5° |
| O7 | C18 | C17 | H24 | 63.5° | 62.4° |
| C18 | O7 | C19 | H26 | 54.3° | 58.8° |
| O9 | C21 | C22 | H30 | 121.5° | 120.2° |
| O9 | C21 | C22 | C17 | 62.0° | 62.9° |
| O9 | C21 | C22 | N3 | 58.8° | 57.0° |
| O9 | C21 | C19 | H26 | 177.2° | 177.7° |
| O9 | C21 | C22 | H32 | 179.3° | 177.2° |
| C21 | C22 | C17 | C18 | 58.0° | 57.0° |
| C21 | C22 | C17 | N3 | 121.3° | 119.9° |
| C21 | C22 | C17 | H32 | 118.6° | 119.9° |
| C21 | C22 | N3 | H32 | 119.8° | 120.2° |
| C21 | C22 | C17 | O6 | 167.4° | 176.9° |
| C21 | C22 | N3 | C23 | 56.8° | 35.0° |
| C21 | C22 | N3 | N5 | 127.1° | 144.7° |
| C21 | C22 | C17 | H24 | 65.1° | 63.0° |
| C22 | C21 | C19 | H26 | 60.8° | 62.4° |
| C22 | C21 | O9 | H31 | 60.8° | 179.6° |
| C34 | C39 | C38 | CL2 | 179.5° | 180.0° |
| C39 | C34 | N8 | C31 | 108.3° | 131.8° |
| C39 | C34 | N8 | N7 | 71.5° | 48.2° |
| C34 | C39 | C38 | H41 | 179.9° | 180.0° |
| C39 | C34 | C35 | H39 | 179.5° | 179.9° |
| N8 | C34 | C39 | C38 | 178.9° | 180.0° |
| C34 | N8 | C31 | C18 | 0.2° | 0.0° |
| N8 | C34 | C39 | CL2 | 0.6° | 0.0° |
| C34 | N8 | C31 | N7 | 179.8° | 180.0° |
| C34 | N8 | C31 | N6 | 179.9° | 179.8° |
| C34 | N8 | N7 | C32 | 179.8° | 180.0° |
| N8 | C34 | C35 | H39 | 1.0° | 0.2° |
| C39 | C38 | C37 | H40 | 179.6° | 180.0° |
| C31 | C18 | C17 | H25 | 121.3° | 120.0° |
| C18 | C31 | N8 | N6 | 179.9° | 179.8° |
| C18 | C31 | N8 | N7 | 179.9° | 180.0° |
| C31 | C18 | C17 | C22 | 176.4° | 177.6° |
| C31 | C18 | C17 | O6 | 71.0° | 62.5° |
| C18 | C31 | N6 | C32 | 179.6° | 179.9° |
| C31 | C18 | C17 | H24 | 53.2° | 57.6° |
| C17 | C18 | C31 | N8 | 153.8° | 111.4° |
| C17 | C18 | C31 | N6 | 26.4° | 68.8° |
| C18 | C17 | C22 | O6 | 109.4° | 119.9° |
| C18 | C17 | C22 | H24 | 123.1° | 120.0° |
| C18 | C17 | C22 | N3 | 179.3° | 176.9° |
| C18 | C17 | O6 | H24 | 122.6° | 120.1° |
| C18 | C17 | O6 | C16 | 141.3° | 90.0° |
| C18 | C17 | C22 | H32 | 60.6° | 62.9° |
| CL2 | C39 | C38 | H41 | 0.4° | 0.1° |
| C31 | N8 | N7 | C32 | 0.3° | 0.0° |
| N8 | C31 | N6 | C32 | 0.2° | 0.3° |
| N8 | C31 | C18 | H25 | 32.8° | 8.6° |
| N7 | N8 | C31 | N6 | 0.1° | 0.2° |
| N8 | N7 | C32 | N6 | 0.5° | 0.2° |
| N8 | N7 | C32 | C33 | 177.4° | 179.9° |
| C31 | N6 | C32 | N7 | 0.5° | 0.3° |
| C31 | N6 | C32 | C33 | 177.4° | 179.8° |
| N6 | C31 | C18 | H25 | 147.4° | 171.1° |
| C17 | C22 | N3 | H32 | 119.3° | 120.3° |
| C22 | C17 | O6 | H24 | 126.0° | 120.2° |
| C17 | C22 | N3 | C23 | 64.1° | 84.5° |
| C17 | C22 | N3 | N5 | 112.1° | 95.8° |
| C22 | C17 | O6 | C16 | 107.3° | 150.3° |
| C22 | C17 | C18 | H25 | 62.3° | 62.3° |
| C17 | C22 | C21 | H30 | 176.5° | 176.9° |
| N3 | C22 | C17 | O6 | 71.3° | 63.2° |
| C22 | N3 | C23 | N5 | 176.5° | 179.8° |
| C22 | N3 | C23 | C24 | 176.3° | 179.8° |
| C22 | N3 | N5 | N4 | 176.2° | 179.7° |
| N3 | C22 | C17 | H24 | 56.2° | 56.9° |
| N3 | C22 | C21 | H30 | 62.7° | 63.2° |
| C22 | N3 | C23 | H33 | 3.7° | 0.2° |
| N7 | C32 | N6 | C33 | 177.9° | 179.9° |
| N7 | C32 | C33 | H38 | 0.0° | 90.1° |
| N7 | C32 | C33 | H36 | 120.0° | 149.9° |
| N7 | C32 | C33 | H37 | 120.0° | 29.8° |
| C17 | O6 | C16 | C15 | 150.0° | 180.0° |
| O6 | C17 | C18 | H25 | 50.3° | 57.6° |
| C17 | O6 | C16 | H22 | 90.6° | 60.0° |
| C17 | O6 | C16 | H23 | 30.5° | 60.1° |
| O6 | C17 | C22 | H32 | 48.7° | 57.0° |
| N6 | C32 | C33 | H38 | 177.6° | 89.8° |
| N6 | C32 | C33 | H36 | 57.6° | 30.2° |
| N6 | C32 | C33 | H37 | 62.4° | 150.3° |
| C32 | C33 | H38 | H36 | 120.0° | 120.0° |
| C32 | C33 | H38 | H37 | 120.0° | 119.9° |
| C32 | C33 | H36 | H37 | 120.0° | 120.1° |
| N3 | C23 | C24 | H33 | 180.0° | 180.0° |
| C23 | N3 | N5 | N4 | 0.6° | 0.0° |
| N3 | C23 | C24 | N4 | 0.2° | 0.0° |
| N3 | C23 | C24 | C25 | 174.3° | 180.0° |
| C23 | N3 | C22 | H32 | 176.6° | 155.2° |
| N5 | N3 | C23 | C24 | 0.2° | 0.0° |
| N3 | N5 | N4 | C24 | 0.7° | 0.0° |
| N5 | N3 | C22 | H32 | 7.2° | 24.5° |
| N5 | N3 | C23 | H33 | 179.9° | 180.0° |
| C23 | C24 | N4 | N5 | 0.6° | 0.0° |
| C23 | C24 | C25 | C30 | 8.5° | 0.0° |
| C23 | C24 | N4 | C25 | 174.9° | 180.0° |
| C23 | C24 | C25 | C26 | 175.2° | 180.0° |
| N5 | N4 | C24 | C25 | 174.3° | 180.0° |
| O6 | C16 | C15 | H22 | 119.5° | 120.1° |
| O6 | C16 | C15 | H23 | 119.4° | 120.0° |
| O6 | C16 | C15 | O5 | 15.3° | 0.0° |
| C16 | O6 | C17 | H24 | 18.7° | 30.1° |
| O6 | C16 | H22 | H23 | 121.6° | 120.1° |
| O6 | C16 | C15 | O1 | 164.6° | 180.0° |
| F1 | C29 | C30 | C28 | 178.2° | 179.8° |
| F1 | C29 | C30 | C25 | 177.2° | 179.9° |
| F1 | C29 | C28 | C27 | 175.8° | 179.8° |
| F1 | C29 | C28 | CL | 5.9° | 0.2° |
| F1 | C29 | C30 | H35 | 2.9° | 0.2° |
| C29 | C30 | C25 | H35 | 180.0° | 179.7° |
| C29 | C30 | C25 | C24 | 177.3° | 179.7° |
| C29 | C30 | C25 | C26 | 1.0° | 0.3° |
| C30 | C29 | C28 | C27 | 2.4° | 0.0° |
| C30 | C29 | C28 | CL | 175.9° | 179.9° |
| C30 | C25 | C24 | N4 | 165.2° | 180.0° |
| C30 | C25 | C24 | C26 | 176.3° | 180.0° |
| C25 | C30 | C29 | C28 | 1.1° | 0.3° |
| C30 | C25 | C26 | C27 | 1.8° | 0.1° |
| C30 | C25 | C26 | H34 | 178.2° | 180.0° |
| N4 | C24 | C25 | C26 | 11.1° | 0.0° |
| N4 | C24 | C23 | H33 | 179.7° | 180.0° |
| C24 | C25 | C26 | C27 | 178.0° | 180.0° |
| C25 | C24 | C23 | H33 | 5.7° | 0.0° |
| C24 | C25 | C30 | H35 | 2.7° | 0.0° |
| C24 | C25 | C26 | H34 | 2.0° | 0.0° |
| C29 | C28 | C27 | CL | 178.3° | 180.0° |
| C29 | C28 | C27 | C26 | 1.7° | 0.3° |
| C29 | C28 | C27 | F | 176.3° | 180.0° |
| C28 | C29 | C30 | H35 | 178.9° | 180.0° |
| C25 | C26 | C27 | C28 | 0.4° | 0.2° |
| C25 | C26 | C27 | H34 | 180.0° | 179.9° |
| C25 | C26 | C27 | F | 178.3° | 179.9° |
| C26 | C25 | C30 | H35 | 179.0° | 180.0° |
| C16 | C15 | O5 | O1 | 180.0° | 180.0° |
| C15 | C16 | H22 | H23 | 121.6° | 119.9° |
| C16 | C15 | O1 | H2 | 180.0° | 180.0° |
| C28 | C27 | C26 | F | 177.9° | 179.7° |
| C28 | C27 | C26 | H34 | 179.6° | 179.7° |
| CL | C28 | C27 | C26 | 176.7° | 179.7° |
| CL | C28 | C27 | F | 5.4° | 0.0° |
| O5 | C15 | C16 | H22 | 134.8° | 120.0° |
| O5 | C15 | C16 | H23 | 104.1° | 120.0° |
| O5 | C15 | O1 | H2 | 0.0° | 0.0° |
| F | C27 | C26 | H34 | 1.7° | 0.0° |
| H25 | C18 | C17 | H24 | 174.6° | 177.6° |
| H24 | C17 | C22 | H32 | 176.2° | 177.2° |
| H22 | C16 | C15 | O1 | 45.2° | 60.0° |
| H23 | C16 | C15 | O1 | 75.9° | 60.0° |
| H26 | C19 | C20 | H28 | 176.1° | 65.0° |
| H26 | C19 | C20 | H27 | 63.6° | 175.0° |
| H26 | C19 | C21 | H30 | 55.6° | 57.5° |
| H28 | C20 | O8 | H29 | 60.1° | 60.0° |
| H27 | C20 | O8 | H29 | 60.1° | 60.0° |
| H30 | C21 | C22 | H32 | 57.9° | 57.0° |
| H30 | C21 | O9 | H31 | 59.5° | 60.2° |
| H38 | C33 | H36 | H37 | 120.0° | 120.0° |
| H41 | C38 | C37 | H40 | 0.4° | 0.1° |
