XFA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C12 | sing | 1.74Å | 1.71Å | |
| C37 | N36 | sing | 1.47Å | 1.47Å | |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.43Å | Aromatic |
| N36 | C35 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| C35 | C34 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | N19 | sing | 1.47Å | 1.48Å | |
| C34 | N33 | sing | 1.47Å | 1.47Å | |
| C14 | C9 | sing | 1.39Å | 1.42Å | Aromatic |
| O22 | C18 | doub | 1.21Å | 1.25Å | |
| C9 | O8 | sing | 1.36Å | 1.35Å | |
| N33 | C32 | sing | 1.35Å | 1.37Å | |
| N19 | C18 | sing | 1.35Å | 1.38Å | |
| N19 | N20 | sing | 1.37Å | 1.44Å | |
| C18 | C17 | sing | 1.51Å | 1.49Å | |
| O8 | C3 | sing | 1.36Å | 1.36Å | |
| C32 | O38 | doub | 1.21Å | 1.22Å | |
| C32 | C31 | sing | 1.51Å | 1.53Å | |
| C3 | C2 | doub | 1.38Å | 1.45Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.43Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.43Å | Aromatic |
| N20 | C26 | sing | 1.48Å | 1.49Å | |
| N20 | C23 | sing | 1.48Å | 1.46Å | |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C17 | N16 | sing | 1.47Å | 1.48Å | |
| N16 | C4 | sing | 1.40Å | 1.45Å | |
| N16 | C31 | sing | 1.47Å | 1.48Å | |
| C4 | C5 | doub | 1.39Å | 1.43Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C1 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
| C6 | CL1 | sing | 1.74Å | 1.72Å | |
| C24 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.42Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.42Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| N33 | H23 | sing | 0.97Å | 1.00Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| N36 | H28 | sing | 1.01Å | 1.00Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C12 | C11 | 119.8° | 120.0° |
| CL2 | C12 | C13 | 120.0° | 120.0° |
| C37 | N36 | C35 | 109.2° | 111.0° |
| C37 | N36 | H28 | 109.5° | 111.0° |
| N36 | C37 | H30 | 109.5° | 109.5° |
| N36 | C37 | H31 | 109.5° | 109.4° |
| N36 | C37 | H32 | 109.5° | 109.5° |
| C11 | C12 | C13 | 120.1° | 120.1° |
| C12 | C11 | C10 | 120.1° | 120.1° |
| C12 | C11 | H4 | 119.9° | 120.0° |
| C12 | C13 | C14 | 120.0° | 120.1° |
| C12 | C13 | H3 | 120.0° | 120.0° |
| C11 | C10 | C9 | 119.9° | 120.0° |
| C10 | C11 | H4 | 119.9° | 120.0° |
| C11 | C10 | H7 | 120.1° | 120.0° |
| N36 | C35 | C34 | 110.8° | 109.4° |
| N36 | C35 | H26 | 109.2° | 109.5° |
| N36 | C35 | H27 | 109.1° | 109.5° |
| C35 | N36 | H28 | 109.5° | 111.1° |
| C13 | C14 | C9 | 120.4° | 119.9° |
| C13 | C14 | H2 | 119.8° | 120.0° |
| C14 | C13 | H3 | 120.0° | 119.9° |
| C35 | C34 | N33 | 108.0° | 109.4° |
| C35 | C34 | H24 | 109.8° | 109.5° |
| C35 | C34 | H25 | 109.8° | 109.5° |
| C34 | C35 | H26 | 109.1° | 109.5° |
| C34 | C35 | H27 | 109.1° | 109.4° |
| C10 | C9 | C14 | 119.5° | 119.9° |
| C10 | C9 | O8 | 120.1° | 120.1° |
| C9 | C10 | H7 | 120.0° | 120.0° |
| C21 | N19 | C18 | 119.4° | 120.0° |
| C21 | N19 | N20 | 122.9° | 120.0° |
| N19 | C21 | H10 | 109.5° | 109.5° |
| N19 | C21 | H11 | 109.5° | 109.4° |
| N19 | C21 | H12 | 109.5° | 109.5° |
| C34 | N33 | C32 | 123.0° | 120.0° |
| C34 | N33 | H23 | 118.5° | 120.0° |
| N33 | C34 | H24 | 109.8° | 109.5° |
| N33 | C34 | H25 | 109.8° | 109.5° |
| C14 | C9 | O8 | 120.4° | 120.0° |
| C9 | C14 | H2 | 119.8° | 120.0° |
| O22 | C18 | N19 | 118.5° | 120.0° |
| O22 | C18 | C17 | 118.5° | 120.0° |
| C9 | O8 | C3 | 129.7° | 118.0° |
| N33 | C32 | O38 | 119.8° | 120.0° |
| N33 | C32 | C31 | 121.1° | 120.0° |
| C32 | N33 | H23 | 118.5° | 120.0° |
| C18 | N19 | N20 | 117.7° | 120.0° |
| N19 | C18 | C17 | 122.9° | 120.0° |
| N19 | N20 | C26 | 113.6° | 111.0° |
| N19 | N20 | C23 | 122.1° | 111.0° |
| C18 | C17 | N16 | 123.6° | 109.4° |
| C18 | C17 | H8 | 105.8° | 109.5° |
| C18 | C17 | H9 | 105.8° | 109.4° |
| O8 | C3 | C2 | 116.3° | 120.1° |
| O8 | C3 | C4 | 124.6° | 120.1° |
| O38 | C32 | C31 | 119.1° | 120.0° |
| C32 | C31 | N16 | 114.7° | 109.5° |
| C32 | C31 | H21 | 108.2° | 109.4° |
| C32 | C31 | H22 | 108.2° | 109.5° |
| C2 | C3 | C4 | 119.1° | 119.8° |
| C3 | C2 | C1 | 120.8° | 120.1° |
| C3 | C2 | H1 | 119.6° | 120.0° |
| C3 | C4 | N16 | 123.1° | 120.0° |
| C3 | C4 | C5 | 119.4° | 119.8° |
| C2 | C1 | C6 | 119.7° | 120.2° |
| C1 | C2 | H1 | 119.6° | 120.0° |
| C2 | C1 | H5 | 120.2° | 119.9° |
| C26 | N20 | C23 | 105.6° | 103.9° |
| N20 | C26 | C25 | 106.1° | 105.7° |
| N20 | C26 | H15 | 110.3° | 110.2° |
| N20 | C26 | H16 | 110.3° | 110.2° |
| N20 | C23 | C24 | 106.6° | 105.6° |
| N20 | C23 | H13 | 110.2° | 110.2° |
| N20 | C23 | H14 | 110.2° | 110.2° |
| C26 | C25 | C24 | 107.9° | 108.3° |
| C26 | C25 | C30 | 132.1° | 131.8° |
| C25 | C26 | H15 | 110.3° | 110.2° |
| C25 | C26 | H16 | 110.3° | 110.2° |
| C17 | N16 | C4 | 120.0° | 111.0° |
| C17 | N16 | C31 | 118.0° | 111.0° |
| N16 | C17 | H8 | 105.8° | 109.5° |
| N16 | C17 | H9 | 105.8° | 109.5° |
| C4 | N16 | C31 | 122.0° | 111.0° |
| N16 | C4 | C5 | 117.4° | 120.1° |
| N16 | C31 | H21 | 108.2° | 109.5° |
| N16 | C31 | H22 | 108.2° | 109.5° |
| C4 | C5 | C6 | 121.1° | 120.0° |
| C4 | C5 | H6 | 119.4° | 120.0° |
| C23 | C24 | C25 | 107.8° | 108.3° |
| C23 | C24 | C27 | 131.8° | 131.8° |
| C24 | C23 | H13 | 110.2° | 110.2° |
| C24 | C23 | H14 | 110.2° | 110.2° |
| C1 | C6 | C5 | 119.9° | 120.1° |
| C1 | C6 | CL1 | 119.4° | 119.9° |
| C6 | C1 | H5 | 120.1° | 119.9° |
| C24 | C25 | C30 | 120.0° | 119.9° |
| C25 | C24 | C27 | 120.4° | 120.0° |
| C25 | C30 | C29 | 119.9° | 120.0° |
| C25 | C30 | H20 | 120.1° | 119.9° |
| C5 | C6 | CL1 | 120.7° | 119.9° |
| C6 | C5 | H6 | 119.4° | 120.0° |
| C24 | C27 | C28 | 119.8° | 120.0° |
| C24 | C27 | H17 | 120.1° | 120.0° |
| C30 | C29 | C28 | 120.0° | 120.1° |
| C30 | C29 | H19 | 120.0° | 120.0° |
| C29 | C30 | H20 | 120.1° | 120.0° |
| C27 | C28 | C29 | 119.9° | 120.0° |
| C28 | C27 | H17 | 120.1° | 120.0° |
| C27 | C28 | H18 | 120.0° | 120.0° |
| C29 | C28 | H18 | 120.0° | 120.0° |
| C28 | C29 | H19 | 120.0° | 120.0° |
| H8 | C17 | H9 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.4° | 109.5° |
| H10 | C21 | H12 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.4° | 109.4° |
| H13 | C23 | H14 | 109.4° | 110.2° |
| H15 | C26 | H16 | 109.4° | 110.2° |
| H21 | C31 | H22 | 109.5° | 109.4° |
| H24 | C34 | H25 | 109.5° | 109.5° |
| H26 | C35 | H27 | 109.5° | 109.5° |
| H30 | C37 | H31 | 109.5° | 109.5° |
| H30 | C37 | H32 | 109.4° | 109.5° |
| H31 | C37 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C12 | C11 | C13 | 180.0° | 179.7° |
| CL2 | C12 | C11 | C10 | 179.9° | 180.0° |
| CL2 | C12 | C13 | C14 | 179.9° | 179.7° |
| CL2 | C12 | C13 | H3 | 0.1° | 0.3° |
| CL2 | C12 | C11 | H4 | 0.1° | 0.2° |
| C37 | N36 | C35 | H28 | 120.0° | 124.0° |
| C37 | N36 | C35 | C34 | 179.9° | 180.0° |
| C37 | N36 | C35 | H26 | 59.8° | 60.1° |
| C37 | N36 | C35 | H27 | 59.9° | 60.0° |
| N36 | C37 | H30 | H31 | 120.0° | 119.9° |
| N36 | C37 | H30 | H32 | 120.0° | 120.1° |
| N36 | C37 | H31 | H32 | 120.0° | 120.0° |
| C12 | C11 | C10 | H4 | 180.0° | 179.8° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.5° |
| C11 | C12 | C13 | H3 | 179.9° | 180.0° |
| C12 | C11 | C10 | H7 | 179.9° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.3° |
| C12 | C13 | C14 | H3 | 180.0° | 179.9° |
| C12 | C13 | C14 | C9 | 0.0° | 0.0° |
| C12 | C13 | C14 | H2 | 180.0° | 179.9° |
| C13 | C12 | C11 | H4 | 179.9° | 179.9° |
| C11 | C10 | C9 | H7 | 180.0° | 179.5° |
| C11 | C10 | C9 | C14 | 0.1° | 0.5° |
| C11 | C10 | C9 | O8 | 179.9° | 179.7° |
| N36 | C35 | C34 | H26 | 120.2° | 120.0° |
| N36 | C35 | C34 | H27 | 120.2° | 120.0° |
| N36 | C35 | C34 | N33 | 174.3° | 180.0° |
| N36 | C35 | C34 | H24 | 65.9° | 60.0° |
| N36 | C35 | C34 | H25 | 54.5° | 60.0° |
| N36 | C35 | H26 | H27 | 119.4° | 120.1° |
| C35 | N36 | C37 | H30 | 180.0° | 180.0° |
| C35 | N36 | C37 | H31 | 60.0° | 60.0° |
| C35 | N36 | C37 | H32 | 60.0° | 59.9° |
| C13 | C14 | C9 | C10 | 0.1° | 0.3° |
| C13 | C14 | C9 | H2 | 180.0° | 179.9° |
| C13 | C14 | C9 | O8 | 179.9° | 180.0° |
| C35 | C34 | N33 | H24 | 119.8° | 120.0° |
| C35 | C34 | N33 | H25 | 119.8° | 119.9° |
| C35 | C34 | N33 | C32 | 92.0° | 180.0° |
| C35 | C34 | N33 | H23 | 88.0° | 0.0° |
| C35 | C34 | H24 | H25 | 120.7° | 120.0° |
| C34 | C35 | H26 | H27 | 119.4° | 120.0° |
| C34 | C35 | N36 | H28 | 60.1° | 56.0° |
| C10 | C9 | C14 | O8 | 179.8° | 179.8° |
| C10 | C9 | O8 | C3 | 56.8° | 71.3° |
| C10 | C9 | C14 | H2 | 179.9° | 179.7° |
| C9 | C10 | C11 | H4 | 179.9° | 179.7° |
| C21 | N19 | C18 | O22 | 0.2° | 0.0° |
| C21 | N19 | C18 | N20 | 179.9° | 180.0° |
| C21 | N19 | C18 | C17 | 179.7° | 180.0° |
| C21 | N19 | N20 | C26 | 50.5° | 53.9° |
| C21 | N19 | N20 | C23 | 77.9° | 61.1° |
| N19 | C21 | H10 | H11 | 120.0° | 120.0° |
| N19 | C21 | H10 | H12 | 120.0° | 120.0° |
| N19 | C21 | H11 | H12 | 120.0° | 120.0° |
| C34 | N33 | C32 | H23 | 180.0° | 180.0° |
| C34 | N33 | C32 | O38 | 0.3° | 0.0° |
| C34 | N33 | C32 | C31 | 179.4° | 180.0° |
| N33 | C34 | H24 | H25 | 120.7° | 120.0° |
| N33 | C34 | C35 | H26 | 54.1° | 60.0° |
| N33 | C34 | C35 | H27 | 65.5° | 60.0° |
| C14 | C9 | O8 | C3 | 123.1° | 109.0° |
| C9 | C14 | C13 | H3 | 180.0° | 180.0° |
| C14 | C9 | C10 | H7 | 180.0° | 180.0° |
| O22 | C18 | N19 | C17 | 179.9° | 179.9° |
| O22 | C18 | N19 | N20 | 179.9° | 180.0° |
| O22 | C18 | C17 | N16 | 64.1° | 0.0° |
| O22 | C18 | C17 | H8 | 57.8° | 120.0° |
| O22 | C18 | C17 | H9 | 174.0° | 120.0° |
| C9 | O8 | C3 | C2 | 50.3° | 5.4° |
| C9 | O8 | C3 | C4 | 129.6° | 174.7° |
| O8 | C9 | C14 | H2 | 0.1° | 0.1° |
| O8 | C9 | C10 | H7 | 0.1° | 0.3° |
| N33 | C32 | O38 | C31 | 179.8° | 180.0° |
| N33 | C32 | C31 | N16 | 0.3° | 180.0° |
| N33 | C32 | C31 | H21 | 120.5° | 60.0° |
| N33 | C32 | C31 | H22 | 121.0° | 59.9° |
| C32 | N33 | C34 | H24 | 27.7° | 60.0° |
| C32 | N33 | C34 | H25 | 148.2° | 60.0° |
| C18 | N19 | N20 | C26 | 129.6° | 126.0° |
| C18 | N19 | N20 | C23 | 102.0° | 118.9° |
| N19 | C18 | C17 | N16 | 116.0° | 180.0° |
| N19 | C18 | C17 | H8 | 122.1° | 60.0° |
| N19 | C18 | C17 | H9 | 5.9° | 60.0° |
| C18 | N19 | C21 | H10 | 180.0° | 85.4° |
| C18 | N19 | C21 | H11 | 60.0° | 154.6° |
| C18 | N19 | C21 | H12 | 60.0° | 34.7° |
| N20 | N19 | C18 | C17 | 0.2° | 0.0° |
| N19 | N20 | C26 | C23 | 136.4° | 119.4° |
| N19 | N20 | C26 | C25 | 160.0° | 147.0° |
| N19 | N20 | C23 | C24 | 155.4° | 147.0° |
| N20 | N19 | C21 | H10 | 0.1° | 94.6° |
| N20 | N19 | C21 | H11 | 119.9° | 25.4° |
| N20 | N19 | C21 | H12 | 120.1° | 145.3° |
| N19 | N20 | C23 | H13 | 85.0° | 93.9° |
| N19 | N20 | C23 | H14 | 35.9° | 28.0° |
| N19 | N20 | C26 | H15 | 40.5° | 27.9° |
| N19 | N20 | C26 | H16 | 80.5° | 93.9° |
| C18 | C17 | N16 | H8 | 121.9° | 120.0° |
| C18 | C17 | N16 | H9 | 121.9° | 120.0° |
| C18 | C17 | N16 | C4 | 53.7° | 170.0° |
| C18 | C17 | N16 | C31 | 128.5° | 66.1° |
| C18 | C17 | H8 | H9 | 113.6° | 120.0° |
| O8 | C3 | C2 | C4 | 180.0° | 179.9° |
| O8 | C3 | C2 | C1 | 179.7° | 180.0° |
| O8 | C3 | C4 | N16 | 0.1° | 0.2° |
| O8 | C3 | C4 | C5 | 179.7° | 179.9° |
| O8 | C3 | C2 | H1 | 0.4° | 0.1° |
| O38 | C32 | C31 | N16 | 180.0° | 0.0° |
| O38 | C32 | C31 | H21 | 59.3° | 120.1° |
| O38 | C32 | C31 | H22 | 59.2° | 120.0° |
| O38 | C32 | N33 | H23 | 179.6° | 180.0° |
| C32 | C31 | N16 | C17 | 66.4° | 166.0° |
| C32 | C31 | N16 | C4 | 115.8° | 70.1° |
| C32 | C31 | N16 | H21 | 120.8° | 120.0° |
| C32 | C31 | N16 | H22 | 120.8° | 120.0° |
| C32 | C31 | H21 | H22 | 117.6° | 120.0° |
| C31 | C32 | N33 | H23 | 0.6° | 0.1° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | N16 | 179.9° | 179.7° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.2° |
| C3 | C2 | C1 | H5 | 179.9° | 179.8° |
| C4 | C3 | C2 | C1 | 0.3° | 0.1° |
| C3 | C4 | N16 | C17 | 127.8° | 120.3° |
| C3 | C4 | N16 | C5 | 179.8° | 179.7° |
| C3 | C4 | N16 | C31 | 54.4° | 115.8° |
| C3 | C4 | C5 | C6 | 0.0° | 0.3° |
| C4 | C3 | C2 | H1 | 179.7° | 179.8° |
| C3 | C4 | C5 | H6 | 180.0° | 180.0° |
| C2 | C1 | C6 | H5 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.5° |
| C2 | C1 | C6 | CL1 | 179.8° | 180.0° |
| N20 | C26 | C25 | H15 | 119.5° | 119.1° |
| N20 | C26 | C25 | H16 | 119.5° | 119.1° |
| C26 | N20 | C23 | C24 | 23.7° | 27.6° |
| N20 | C26 | C25 | C24 | 14.5° | 17.5° |
| N20 | C26 | C25 | C30 | 165.7° | 162.5° |
| C26 | N20 | C23 | H13 | 143.2° | 146.7° |
| C26 | N20 | C23 | H14 | 95.9° | 91.4° |
| N20 | C26 | H15 | H16 | 121.5° | 121.9° |
| C23 | N20 | C26 | C25 | 23.6° | 27.6° |
| N20 | C23 | C24 | H13 | 119.6° | 119.1° |
| N20 | C23 | C24 | H14 | 119.6° | 119.0° |
| N20 | C23 | C24 | C25 | 15.0° | 17.5° |
| N20 | C23 | C24 | C27 | 165.2° | 162.6° |
| N20 | C23 | H13 | H14 | 121.3° | 121.9° |
| C23 | N20 | C26 | H15 | 95.9° | 91.4° |
| C23 | N20 | C26 | H16 | 143.1° | 146.7° |
| C26 | C25 | C24 | C23 | 0.1° | 0.0° |
| C26 | C25 | C24 | C30 | 179.8° | 180.0° |
| C26 | C25 | C24 | C27 | 179.9° | 180.0° |
| C26 | C25 | C30 | C29 | 179.8° | 180.0° |
| C25 | C26 | H15 | H16 | 121.5° | 121.9° |
| C26 | C25 | C30 | H20 | 0.3° | 0.0° |
| C17 | N16 | C4 | C31 | 177.8° | 123.9° |
| C17 | N16 | C4 | C5 | 52.0° | 60.0° |
| N16 | C17 | H8 | H9 | 113.6° | 120.1° |
| C17 | N16 | C31 | H21 | 172.9° | 46.1° |
| C17 | N16 | C31 | H22 | 54.4° | 73.9° |
| N16 | C4 | C5 | C6 | 179.8° | 180.0° |
| N16 | C4 | C5 | H6 | 0.2° | 0.3° |
| C4 | N16 | C17 | H8 | 175.6° | 50.1° |
| C4 | N16 | C17 | H9 | 68.3° | 70.0° |
| C4 | N16 | C31 | H21 | 4.9° | 170.0° |
| C4 | N16 | C31 | H22 | 123.4° | 50.0° |
| C31 | N16 | C4 | C5 | 125.8° | 63.9° |
| C31 | N16 | C17 | H8 | 6.6° | 174.0° |
| C31 | N16 | C17 | H9 | 109.6° | 53.9° |
| N16 | C31 | H21 | H22 | 117.6° | 120.0° |
| C4 | C5 | C6 | C1 | 0.2° | 0.6° |
| C4 | C5 | C6 | H6 | 180.0° | 179.7° |
| C4 | C5 | C6 | CL1 | 179.7° | 180.0° |
| C23 | C24 | C25 | C27 | 179.8° | 179.9° |
| C23 | C24 | C25 | C30 | 179.7° | 180.0° |
| C23 | C24 | C27 | C28 | 179.6° | 180.0° |
| C24 | C23 | H13 | H14 | 121.3° | 121.9° |
| C23 | C24 | C27 | H17 | 0.4° | 0.1° |
| C1 | C6 | C5 | CL1 | 179.9° | 179.4° |
| C6 | C1 | C2 | H1 | 179.9° | 179.9° |
| C1 | C6 | C5 | H6 | 179.8° | 179.7° |
| C24 | C25 | C30 | C29 | 0.0° | 0.0° |
| C25 | C24 | C27 | C28 | 0.1° | 0.1° |
| C25 | C24 | C23 | H13 | 134.6° | 136.6° |
| C25 | C24 | C23 | H14 | 104.6° | 101.5° |
| C24 | C25 | C26 | H15 | 105.0° | 101.6° |
| C24 | C25 | C26 | H16 | 134.0° | 136.5° |
| C25 | C24 | C27 | H17 | 179.9° | 180.0° |
| C24 | C25 | C30 | H20 | 179.9° | 180.0° |
| C30 | C25 | C24 | C27 | 0.1° | 0.0° |
| C25 | C30 | C29 | H20 | 180.0° | 180.0° |
| C25 | C30 | C29 | C28 | 0.1° | 0.0° |
| C30 | C25 | C26 | H15 | 74.8° | 78.4° |
| C30 | C25 | C26 | H16 | 46.2° | 43.5° |
| C25 | C30 | C29 | H19 | 179.9° | 180.0° |
| C5 | C6 | C1 | H5 | 179.9° | 179.5° |
| CL1 | C6 | C1 | H5 | 0.2° | 0.0° |
| CL1 | C6 | C5 | H6 | 0.3° | 0.3° |
| C24 | C27 | C28 | H17 | 180.0° | 179.9° |
| C24 | C27 | C28 | C29 | 0.1° | 0.1° |
| C27 | C24 | C23 | H13 | 45.7° | 43.5° |
| C27 | C24 | C23 | H14 | 75.2° | 78.4° |
| C24 | C27 | C28 | H18 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.1° | 0.0° |
| C30 | C29 | C28 | H19 | 180.0° | 180.0° |
| C30 | C29 | C28 | H18 | 179.9° | 180.0° |
| C27 | C28 | C29 | H18 | 180.0° | 180.0° |
| C27 | C28 | C29 | H19 | 180.0° | 179.9° |
| C29 | C28 | C27 | H17 | 180.0° | 180.0° |
| C28 | C29 | C30 | H20 | 179.9° | 180.0° |
| H1 | C2 | C1 | H5 | 0.2° | 0.1° |
| H2 | C14 | C13 | H3 | 0.0° | 0.0° |
| H4 | C11 | C10 | H7 | 0.1° | 0.2° |
| H10 | C21 | H11 | H12 | 120.0° | 120.0° |
| H17 | C27 | C28 | H18 | 0.0° | 0.1° |
| H18 | C28 | C29 | H19 | 0.1° | 0.0° |
| H19 | C29 | C30 | H20 | 0.1° | 0.0° |
| H23 | N33 | C34 | H24 | 152.2° | 120.0° |
| H23 | N33 | C34 | H25 | 31.8° | 119.9° |
| H24 | C34 | C35 | H26 | 173.9° | 180.0° |
| H24 | C34 | C35 | H27 | 54.3° | 60.0° |
| H25 | C34 | C35 | H26 | 65.7° | 59.9° |
| H25 | C34 | C35 | H27 | 174.7° | 179.9° |
| H26 | C35 | N36 | H28 | 179.7° | 64.0° |
| H27 | C35 | N36 | H28 | 60.1° | 176.0° |
| H28 | N36 | C37 | H30 | 60.1° | 56.0° |
| H28 | N36 | C37 | H31 | 59.9° | 64.0° |
| H28 | N36 | C37 | H32 | 180.0° | 176.1° |
| H30 | C37 | H31 | H32 | 119.9° | 120.0° |
