VQT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F32 | C31 | sing | 1.40Å | 1.37Å | |
| C31 | C33 | sing | 1.55Å | 1.51Å | |
| C31 | C30 | sing | 1.55Å | 1.51Å | |
| C33 | C25 | sing | 1.54Å | 1.53Å | |
| C26 | C25 | sing | 1.54Å | 1.54Å | |
| C26 | C27 | sing | 1.55Å | 1.52Å | |
| C25 | N29 | sing | 1.48Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| C30 | N29 | sing | 1.48Å | 1.52Å | |
| N29 | C28 | sing | 1.48Å | 1.52Å | |
| C24 | O23 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.55Å | 1.52Å | |
| O23 | C18 | sing | 1.35Å | 1.38Å | |
| C38 | C37 | sing | 1.54Å | 1.54Å | |
| C38 | C39 | sing | 1.55Å | 1.53Å | |
| C37 | C36 | sing | 1.55Å | 1.53Å | |
| C18 | N19 | doub | 1.32Å | 1.35Å | Aromatic |
| C18 | N17 | sing | 1.33Å | 1.34Å | Aromatic |
| N19 | C20 | sing | 1.34Å | 1.35Å | Aromatic |
| F22 | C21 | sing | 1.35Å | 1.34Å | |
| N17 | C16 | doub | 1.33Å | 1.35Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C15 | doub | 1.42Å | 1.41Å | Aromatic |
| C39 | N41 | sing | 1.49Å | 1.51Å | |
| C39 | C40 | sing | 1.54Å | 1.55Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C36 | N41 | sing | 1.49Å | 1.51Å | |
| C36 | C35 | sing | 1.54Å | 1.54Å | |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.42Å | 1.41Å | Aromatic |
| C16 | N34 | sing | 1.38Å | 1.43Å | |
| C15 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C40 | N34 | sing | 1.47Å | 1.48Å | |
| N34 | C35 | sing | 1.47Å | 1.48Å | |
| C12 | C5 | sing | 1.48Å | 1.46Å | |
| C12 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.42Å | 1.42Å | Aromatic |
| C8 | F11 | sing | 1.35Å | 1.34Å | |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.39Å | Aromatic |
| C13 | CL42 | sing | 1.74Å | 1.71Å | |
| C4 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | N3 | sing | 1.35Å | 1.39Å | Aromatic |
| C9 | S10 | sing | 1.76Å | 1.72Å | Aromatic |
| N3 | C2 | doub | 1.29Å | 1.31Å | Aromatic |
| S10 | C2 | sing | 1.76Å | 1.72Å | Aromatic |
| C2 | N1 | sing | 1.38Å | 1.35Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C27 | H4 | sing | 1.09Å | 1.10Å | |
| C27 | H5 | sing | 1.09Å | 1.10Å | |
| C37 | H6 | sing | 1.09Å | 1.10Å | |
| C37 | H7 | sing | 1.09Å | 1.10Å | |
| C38 | H8 | sing | 1.09Å | 1.10Å | |
| C38 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C40 | H16 | sing | 1.09Å | 1.10Å | |
| C40 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C39 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| N1 | H27 | sing | 0.97Å | 1.00Å | |
| N1 | H28 | sing | 0.97Å | 1.00Å | |
| N41 | H29 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F32 | C31 | C33 | 110.7° | 111.0° |
| F32 | C31 | C30 | 108.9° | 111.0° |
| F32 | C31 | H24 | 112.4° | 110.9° |
| C33 | C31 | C30 | 104.2° | 101.7° |
| C31 | C33 | C25 | 105.5° | 103.1° |
| C31 | C33 | H12 | 110.5° | 110.7° |
| C31 | C33 | H13 | 110.4° | 110.8° |
| C33 | C31 | H24 | 110.2° | 111.0° |
| C31 | C30 | N29 | 104.9° | 104.8° |
| C31 | C30 | H20 | 110.6° | 110.4° |
| C31 | C30 | H21 | 110.6° | 110.5° |
| C30 | C31 | H24 | 110.2° | 111.0° |
| C33 | C25 | C26 | 114.2° | 108.8° |
| C33 | C25 | N29 | 105.8° | 107.2° |
| C33 | C25 | C24 | 113.0° | 110.9° |
| C25 | C33 | H12 | 110.5° | 110.7° |
| C25 | C33 | H13 | 110.5° | 110.7° |
| C25 | C26 | C27 | 103.8° | 103.1° |
| C26 | C25 | N29 | 105.9° | 107.1° |
| C26 | C25 | C24 | 110.0° | 110.9° |
| C25 | C26 | H10 | 110.9° | 110.7° |
| C25 | C26 | H11 | 110.8° | 110.7° |
| C26 | C27 | C28 | 104.6° | 101.6° |
| C26 | C27 | H4 | 110.7° | 111.0° |
| C26 | C27 | H5 | 110.7° | 111.0° |
| C27 | C26 | H10 | 110.8° | 110.7° |
| C27 | C26 | H11 | 110.9° | 110.7° |
| N29 | C25 | C24 | 107.2° | 111.8° |
| C25 | N29 | C30 | 106.3° | 108.5° |
| C25 | N29 | C28 | 106.8° | 108.5° |
| C25 | C24 | O23 | 105.6° | 109.5° |
| C25 | C24 | H25 | 110.4° | 109.5° |
| C25 | C24 | H26 | 110.4° | 109.5° |
| C30 | N29 | C28 | 113.8° | 110.0° |
| N29 | C30 | H20 | 110.6° | 110.4° |
| N29 | C30 | H21 | 110.6° | 110.3° |
| N29 | C28 | C27 | 103.4° | 104.8° |
| N29 | C28 | H18 | 111.0° | 110.4° |
| N29 | C28 | H19 | 111.0° | 110.5° |
| C24 | O23 | C18 | 116.0° | 117.0° |
| O23 | C24 | H25 | 110.4° | 109.5° |
| O23 | C24 | H26 | 110.4° | 109.5° |
| C28 | C27 | H4 | 110.7° | 111.0° |
| C28 | C27 | H5 | 110.7° | 111.0° |
| C27 | C28 | H18 | 111.0° | 110.3° |
| C27 | C28 | H19 | 111.0° | 110.4° |
| O23 | C18 | N19 | 112.8° | 118.6° |
| O23 | C18 | N17 | 120.9° | 118.6° |
| C37 | C38 | C39 | 106.1° | 104.7° |
| C38 | C37 | C36 | 105.6° | 104.7° |
| C38 | C37 | H6 | 110.4° | 110.4° |
| C38 | C37 | H7 | 110.4° | 110.5° |
| C37 | C38 | H8 | 110.3° | 110.4° |
| C37 | C38 | H9 | 110.3° | 110.3° |
| C38 | C39 | N41 | 101.8° | 104.1° |
| C38 | C39 | C40 | 112.5° | 107.6° |
| C39 | C38 | H8 | 110.3° | 110.4° |
| C39 | C38 | H9 | 110.3° | 110.4° |
| C38 | C39 | H23 | 112.0° | 112.5° |
| C37 | C36 | N41 | 101.0° | 104.0° |
| C37 | C36 | C35 | 113.3° | 107.7° |
| C36 | C37 | H6 | 110.5° | 110.4° |
| C36 | C37 | H7 | 110.5° | 110.3° |
| C37 | C36 | H22 | 111.6° | 112.5° |
| N19 | C18 | N17 | 126.1° | 122.8° |
| C18 | N19 | C20 | 116.5° | 120.4° |
| C18 | N17 | C16 | 117.2° | 121.5° |
| N19 | C20 | C21 | 118.3° | 121.8° |
| N19 | C20 | C15 | 122.4° | 118.8° |
| F22 | C21 | C20 | 118.3° | 120.3° |
| F22 | C21 | C12 | 119.3° | 120.3° |
| N17 | C16 | C15 | 122.0° | 118.3° |
| N17 | C16 | N34 | 114.2° | 120.9° |
| C21 | C20 | C15 | 119.3° | 119.4° |
| C20 | C21 | C12 | 122.3° | 119.4° |
| C20 | C15 | C16 | 115.7° | 118.2° |
| C20 | C15 | C14 | 118.7° | 120.0° |
| N41 | C39 | C40 | 106.0° | 106.9° |
| C39 | N41 | C36 | 103.7° | 102.9° |
| N41 | C39 | H23 | 112.3° | 112.4° |
| C39 | N41 | H29 | 110.9° | 111.0° |
| C39 | C40 | N34 | 111.4° | 109.0° |
| C39 | C40 | H16 | 109.0° | 109.6° |
| C39 | C40 | H17 | 109.0° | 109.6° |
| C40 | C39 | H23 | 111.8° | 112.8° |
| C7 | C6 | C5 | 121.3° | 120.4° |
| C6 | C7 | C8 | 119.8° | 120.2° |
| C7 | C6 | H1 | 119.3° | 119.8° |
| C6 | C7 | H2 | 120.1° | 119.9° |
| C6 | C5 | C12 | 119.9° | 119.9° |
| C6 | C5 | C4 | 119.0° | 120.2° |
| C5 | C6 | H1 | 119.4° | 119.7° |
| C21 | C12 | C5 | 118.0° | 119.7° |
| C21 | C12 | C13 | 117.4° | 120.5° |
| N41 | C36 | C35 | 107.0° | 106.9° |
| N41 | C36 | H22 | 112.0° | 112.4° |
| C36 | N41 | H29 | 110.9° | 111.0° |
| C36 | C35 | N34 | 112.1° | 109.0° |
| C36 | C35 | H14 | 108.8° | 109.6° |
| C36 | C35 | H15 | 108.8° | 109.6° |
| C35 | C36 | H22 | 111.5° | 112.8° |
| C7 | C8 | F11 | 121.0° | 119.8° |
| C7 | C8 | C9 | 119.3° | 120.4° |
| C8 | C7 | H2 | 120.1° | 119.9° |
| C15 | C16 | N34 | 123.8° | 120.8° |
| C16 | C15 | C14 | 125.6° | 121.8° |
| C16 | N34 | C40 | 117.9° | 111.0° |
| C16 | N34 | C35 | 119.0° | 111.0° |
| C15 | C14 | C13 | 120.0° | 119.9° |
| C15 | C14 | H3 | 120.0° | 120.0° |
| C40 | N34 | C35 | 118.5° | 111.6° |
| N34 | C40 | H16 | 109.0° | 109.6° |
| N34 | C40 | H17 | 109.0° | 109.6° |
| N34 | C35 | H14 | 108.8° | 109.6° |
| N34 | C35 | H15 | 108.8° | 109.6° |
| C5 | C12 | C13 | 124.6° | 119.7° |
| C12 | C5 | C4 | 121.1° | 119.9° |
| C12 | C13 | C14 | 122.2° | 120.8° |
| C12 | C13 | CL42 | 117.6° | 119.6° |
| C5 | C4 | C9 | 119.0° | 118.3° |
| C5 | C4 | N3 | 127.4° | 128.7° |
| F11 | C8 | C9 | 119.7° | 119.8° |
| C8 | C9 | C4 | 121.5° | 120.5° |
| C8 | C9 | S10 | 128.3° | 131.1° |
| C14 | C13 | CL42 | 120.1° | 119.6° |
| C13 | C14 | H3 | 120.0° | 120.1° |
| C9 | C4 | N3 | 113.5° | 113.0° |
| C4 | C9 | S10 | 110.2° | 108.4° |
| C4 | N3 | C2 | 111.3° | 117.9° |
| C9 | S10 | C2 | 89.6° | 90.4° |
| N3 | C2 | S10 | 115.3° | 110.3° |
| N3 | C2 | N1 | 122.8° | 124.8° |
| S10 | C2 | N1 | 121.9° | 124.8° |
| C2 | N1 | H27 | 109.5° | 120.0° |
| C2 | N1 | H28 | 109.5° | 120.0° |
| H4 | C27 | H5 | 109.5° | 110.9° |
| H6 | C37 | H7 | 109.5° | 110.4° |
| H8 | C38 | H9 | 109.5° | 110.5° |
| H10 | C26 | H11 | 109.5° | 110.7° |
| H12 | C33 | H13 | 109.4° | 110.6° |
| H14 | C35 | H15 | 109.4° | 109.6° |
| H16 | C40 | H17 | 109.5° | 109.6° |
| H18 | C28 | H19 | 109.5° | 110.4° |
| H20 | C30 | H21 | 109.5° | 110.3° |
| H25 | C24 | H26 | 109.5° | 109.5° |
| H27 | N1 | H28 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F32 | C31 | C33 | C30 | 116.9° | 118.1° |
| F32 | C31 | C33 | H24 | 125.0° | 123.8° |
| F32 | C31 | C30 | H24 | 123.7° | 123.8° |
| F32 | C31 | C33 | C25 | 82.6° | 82.5° |
| F32 | C31 | C30 | N29 | 82.0° | 80.7° |
| F32 | C31 | C33 | H12 | 36.8° | 36.0° |
| F32 | C31 | C33 | H13 | 158.0° | 159.0° |
| F32 | C31 | C30 | H20 | 158.8° | 160.4° |
| F32 | C31 | C30 | H21 | 37.3° | 38.1° |
| C33 | C31 | C30 | H24 | 118.2° | 118.1° |
| C31 | C33 | C25 | H12 | 119.4° | 118.4° |
| C31 | C33 | C25 | H13 | 119.4° | 118.5° |
| C31 | C33 | C25 | C26 | 97.0° | 93.6° |
| C31 | C33 | C25 | N29 | 19.1° | 22.0° |
| C31 | C33 | C25 | C24 | 136.2° | 144.2° |
| C33 | C31 | C30 | N29 | 36.2° | 37.3° |
| C31 | C33 | H12 | H13 | 121.8° | 123.2° |
| C33 | C31 | C30 | H20 | 83.1° | 81.6° |
| C33 | C31 | C30 | H21 | 155.4° | 156.1° |
| C30 | C31 | C33 | C25 | 34.3° | 35.6° |
| C31 | C30 | N29 | C25 | 24.2° | 24.5° |
| C31 | C30 | N29 | H20 | 119.3° | 118.8° |
| C31 | C30 | N29 | H21 | 119.3° | 118.9° |
| C31 | C30 | N29 | C28 | 93.1° | 94.0° |
| C30 | C31 | C33 | H12 | 153.7° | 154.1° |
| C30 | C31 | C33 | H13 | 85.1° | 82.8° |
| C31 | C30 | H20 | H21 | 122.1° | 122.4° |
| C33 | C25 | C26 | N29 | 116.1° | 115.5° |
| C33 | C25 | C26 | C24 | 128.3° | 122.2° |
| C33 | C25 | C26 | C27 | 136.8° | 93.6° |
| C33 | C25 | N29 | C24 | 120.9° | 121.7° |
| C33 | C25 | N29 | C30 | 3.1° | 1.5° |
| C33 | C25 | N29 | C28 | 118.7° | 118.0° |
| C33 | C25 | C24 | O23 | 58.5° | 60.0° |
| C33 | C25 | C26 | H10 | 17.7° | 148.1° |
| C33 | C25 | C26 | H11 | 104.1° | 24.9° |
| C25 | C33 | H12 | H13 | 121.9° | 123.1° |
| C25 | C33 | C31 | H24 | 152.5° | 153.8° |
| C33 | C25 | C24 | H25 | 177.9° | 60.0° |
| C33 | C25 | C24 | H26 | 60.9° | 180.0° |
| C25 | C26 | C27 | H10 | 119.1° | 118.4° |
| C25 | C26 | C27 | H11 | 119.1° | 118.5° |
| C26 | C25 | N29 | C24 | 117.5° | 121.7° |
| C26 | C25 | N29 | C30 | 124.7° | 118.1° |
| C26 | C25 | N29 | C28 | 2.9° | 1.5° |
| C26 | C25 | C24 | O23 | 172.5° | 61.0° |
| C25 | C26 | C27 | C28 | 37.0° | 35.6° |
| C25 | C26 | C27 | H4 | 156.2° | 82.5° |
| C25 | C26 | C27 | H5 | 82.2° | 153.7° |
| C25 | C26 | H10 | H11 | 122.6° | 123.2° |
| C26 | C25 | C33 | H12 | 22.4° | 24.9° |
| C26 | C25 | C33 | H13 | 143.6° | 147.9° |
| C26 | C25 | C24 | H25 | 53.1° | 179.0° |
| C26 | C25 | C24 | H26 | 68.1° | 59.0° |
| C27 | C26 | C25 | N29 | 20.7° | 22.0° |
| C27 | C26 | C25 | C24 | 94.9° | 144.2° |
| C26 | C27 | C28 | N29 | 38.8° | 37.3° |
| C26 | C27 | C28 | H4 | 119.2° | 118.1° |
| C26 | C27 | C28 | H5 | 119.2° | 118.1° |
| C26 | C27 | H4 | H5 | 122.3° | 123.9° |
| C27 | C26 | H10 | H11 | 122.6° | 123.1° |
| C26 | C27 | C28 | H18 | 157.8° | 156.1° |
| C26 | C27 | C28 | H19 | 80.2° | 81.7° |
| C25 | N29 | C30 | C28 | 117.3° | 118.5° |
| N29 | C25 | C24 | O23 | 57.7° | 179.5° |
| C25 | N29 | C28 | C27 | 25.4° | 24.5° |
| N29 | C25 | C26 | H10 | 98.3° | 96.4° |
| N29 | C25 | C26 | H11 | 139.8° | 140.4° |
| N29 | C25 | C33 | H12 | 138.6° | 140.4° |
| N29 | C25 | C33 | H13 | 100.2° | 96.6° |
| C25 | N29 | C28 | H18 | 144.5° | 143.3° |
| C25 | N29 | C28 | H19 | 93.6° | 94.4° |
| C25 | N29 | C30 | H20 | 95.1° | 94.3° |
| C25 | N29 | C30 | H21 | 143.4° | 143.4° |
| N29 | C25 | C24 | H25 | 61.7° | 59.5° |
| N29 | C25 | C24 | H26 | 177.1° | 60.5° |
| C24 | C25 | N29 | C30 | 117.8° | 120.2° |
| C24 | C25 | N29 | C28 | 120.4° | 120.3° |
| C25 | C24 | O23 | H25 | 119.4° | 120.0° |
| C25 | C24 | O23 | H26 | 119.4° | 120.0° |
| C25 | C24 | O23 | C18 | 173.4° | 180.0° |
| C24 | C25 | C26 | H10 | 146.1° | 25.8° |
| C24 | C25 | C26 | H11 | 24.2° | 97.3° |
| C24 | C25 | C33 | H12 | 104.4° | 97.4° |
| C24 | C25 | C33 | H13 | 16.9° | 25.7° |
| C25 | C24 | H25 | H26 | 121.8° | 120.0° |
| C30 | N29 | C28 | C27 | 142.4° | 94.0° |
| C30 | N29 | C28 | H18 | 98.6° | 24.8° |
| C30 | N29 | C28 | H19 | 23.4° | 147.1° |
| N29 | C30 | H20 | H21 | 122.1° | 122.3° |
| N29 | C30 | C31 | H24 | 154.4° | 155.4° |
| N29 | C28 | C27 | H18 | 119.0° | 118.8° |
| N29 | C28 | C27 | H19 | 119.0° | 119.0° |
| N29 | C28 | C27 | H4 | 158.0° | 80.8° |
| N29 | C28 | C27 | H5 | 80.4° | 155.4° |
| N29 | C28 | H18 | H19 | 122.8° | 122.4° |
| C28 | N29 | C30 | H20 | 147.6° | 147.1° |
| C28 | N29 | C30 | H21 | 26.1° | 24.9° |
| C24 | O23 | C18 | N19 | 173.1° | 0.0° |
| C24 | O23 | C18 | N17 | 2.8° | 180.0° |
| O23 | C24 | H25 | H26 | 121.8° | 120.0° |
| C28 | C27 | H4 | H5 | 122.3° | 123.9° |
| C28 | C27 | C26 | H10 | 82.1° | 82.8° |
| C28 | C27 | C26 | H11 | 156.1° | 154.1° |
| C27 | C28 | H18 | H19 | 122.8° | 122.3° |
| O23 | C18 | N19 | N17 | 175.6° | 180.0° |
| O23 | C18 | N19 | C20 | 179.6° | 180.0° |
| O23 | C18 | N17 | C16 | 177.7° | 179.9° |
| C18 | O23 | C24 | H25 | 54.1° | 60.0° |
| C18 | O23 | C24 | H26 | 67.2° | 60.0° |
| C37 | C38 | C39 | H8 | 119.5° | 118.8° |
| C37 | C38 | C39 | H9 | 119.4° | 118.8° |
| C38 | C37 | C36 | H6 | 119.4° | 118.8° |
| C38 | C37 | C36 | H7 | 119.4° | 119.0° |
| C37 | C38 | C39 | N41 | 23.9° | 25.9° |
| C37 | C38 | C39 | C40 | 89.1° | 87.3° |
| C38 | C37 | C36 | N41 | 30.0° | 25.9° |
| C38 | C37 | C36 | C35 | 84.0° | 87.3° |
| C38 | C37 | H6 | H7 | 121.8° | 122.5° |
| C37 | C38 | H8 | H9 | 121.6° | 122.3° |
| C38 | C37 | C36 | H22 | 149.2° | 147.8° |
| C37 | C38 | C39 | H23 | 144.0° | 147.9° |
| C39 | C38 | C37 | C36 | 3.8° | 0.0° |
| C38 | C39 | N41 | C40 | 117.8° | 113.7° |
| C38 | C39 | N41 | H23 | 119.9° | 122.0° |
| C38 | C39 | C40 | H23 | 127.0° | 124.6° |
| C38 | C39 | N41 | C36 | 43.8° | 42.8° |
| C38 | C39 | C40 | N34 | 54.2° | 47.7° |
| C39 | C38 | C37 | H6 | 115.6° | 118.8° |
| C39 | C38 | C37 | H7 | 123.2° | 118.8° |
| C39 | C38 | H8 | H9 | 121.6° | 122.4° |
| C38 | C39 | C40 | H16 | 66.1° | 72.2° |
| C38 | C39 | C40 | H17 | 174.5° | 167.5° |
| C38 | C39 | N41 | H29 | 162.9° | 161.6° |
| C37 | C36 | N41 | C39 | 46.1° | 42.8° |
| C37 | C36 | N41 | C35 | 118.7° | 113.8° |
| C37 | C36 | N41 | H22 | 118.9° | 121.9° |
| C37 | C36 | C35 | H22 | 126.9° | 124.7° |
| C37 | C36 | C35 | N34 | 56.8° | 47.6° |
| C36 | C37 | H6 | H7 | 121.8° | 122.2° |
| C36 | C37 | C38 | H8 | 115.6° | 118.8° |
| C36 | C37 | C38 | H9 | 123.3° | 118.8° |
| C37 | C36 | C35 | H14 | 177.2° | 167.5° |
| C37 | C36 | C35 | H15 | 63.6° | 72.3° |
| C37 | C36 | N41 | H29 | 165.1° | 161.6° |
| N19 | C18 | N17 | C16 | 2.4° | 0.1° |
| C18 | N19 | C20 | C21 | 176.0° | 179.9° |
| C18 | N19 | C20 | C15 | 2.3° | 0.0° |
| N17 | C18 | N19 | C20 | 4.7° | 0.0° |
| C18 | N17 | C16 | C15 | 2.4° | 0.1° |
| C18 | N17 | C16 | N34 | 178.3° | 180.0° |
| N19 | C20 | C21 | F22 | 1.4° | 0.1° |
| N19 | C20 | C21 | C15 | 178.4° | 180.0° |
| N19 | C20 | C21 | C12 | 179.5° | 180.0° |
| N19 | C20 | C15 | C16 | 1.9° | 0.0° |
| N19 | C20 | C15 | C14 | 179.0° | 180.0° |
| F22 | C21 | C20 | C12 | 178.1° | 180.0° |
| F22 | C21 | C20 | C15 | 179.8° | 180.0° |
| F22 | C21 | C12 | C5 | 0.3° | 0.0° |
| F22 | C21 | C12 | C13 | 179.8° | 179.9° |
| N17 | C16 | C15 | C20 | 4.3° | 0.0° |
| N17 | C16 | C15 | N34 | 179.3° | 179.9° |
| N17 | C16 | C15 | C14 | 176.6° | 180.0° |
| N17 | C16 | N34 | C40 | 16.3° | 62.5° |
| N17 | C16 | N34 | C35 | 139.3° | 62.3° |
| C21 | C20 | C15 | C16 | 179.8° | 180.0° |
| C21 | C20 | C15 | C14 | 0.6° | 0.1° |
| C20 | C21 | C12 | C5 | 178.4° | 180.0° |
| C20 | C21 | C12 | C13 | 1.7° | 0.0° |
| C15 | C20 | C21 | C12 | 2.1° | 0.0° |
| C20 | C15 | C16 | C14 | 179.1° | 180.0° |
| C20 | C15 | C16 | N34 | 176.4° | 180.0° |
| C20 | C15 | C14 | C13 | 1.1° | 0.1° |
| C20 | C15 | C14 | H3 | 178.9° | 179.8° |
| N41 | C39 | C40 | H23 | 122.6° | 124.1° |
| C39 | N41 | C36 | H29 | 119.1° | 118.8° |
| C39 | N41 | C36 | C35 | 72.7° | 71.0° |
| N41 | C39 | C40 | N34 | 56.2° | 63.6° |
| N41 | C39 | C38 | H8 | 143.3° | 144.8° |
| N41 | C39 | C38 | H9 | 95.6° | 92.8° |
| N41 | C39 | C40 | H16 | 176.5° | 176.5° |
| N41 | C39 | C40 | H17 | 64.1° | 56.3° |
| C39 | N41 | C36 | H22 | 164.9° | 164.7° |
| C40 | C39 | N41 | C36 | 74.0° | 70.9° |
| C39 | C40 | N34 | C16 | 116.6° | 69.1° |
| C39 | C40 | N34 | H16 | 120.3° | 119.8° |
| C39 | C40 | N34 | H17 | 120.3° | 119.9° |
| C39 | C40 | N34 | C35 | 39.1° | 55.3° |
| C40 | C39 | C38 | H8 | 30.3° | 31.5° |
| C40 | C39 | C38 | H9 | 151.4° | 154.0° |
| C39 | C40 | H16 | H17 | 119.1° | 120.3° |
| C40 | C39 | N41 | H29 | 45.1° | 47.9° |
| C7 | C6 | C5 | H1 | 180.0° | 179.7° |
| C6 | C7 | C8 | H2 | 180.0° | 179.9° |
| C7 | C6 | C5 | C12 | 179.7° | 180.0° |
| C7 | C6 | C5 | C4 | 1.0° | 0.0° |
| C6 | C7 | C8 | F11 | 177.9° | 180.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.1° |
| C6 | C5 | C12 | C21 | 82.3° | 90.1° |
| C5 | C6 | C7 | C8 | 1.1° | 0.1° |
| C6 | C5 | C12 | C4 | 179.3° | 180.0° |
| C6 | C5 | C12 | C13 | 97.7° | 90.0° |
| C6 | C5 | C4 | C9 | 0.6° | 0.0° |
| C6 | C5 | C4 | N3 | 178.6° | 180.0° |
| C5 | C6 | C7 | H2 | 178.8° | 180.0° |
| C21 | C12 | C5 | C13 | 179.9° | 179.9° |
| C21 | C12 | C5 | C4 | 97.0° | 89.9° |
| C21 | C12 | C13 | C14 | 0.1° | 0.0° |
| C21 | C12 | C13 | CL42 | 178.0° | 179.7° |
| N41 | C36 | C35 | H22 | 122.7° | 124.1° |
| N41 | C36 | C35 | N34 | 53.6° | 63.7° |
| N41 | C36 | C37 | H6 | 89.3° | 92.9° |
| N41 | C36 | C37 | H7 | 149.4° | 144.9° |
| N41 | C36 | C35 | H14 | 66.8° | 56.2° |
| N41 | C36 | C35 | H15 | 174.0° | 176.5° |
| C36 | N41 | C39 | H23 | 163.7° | 164.7° |
| C36 | C35 | N34 | C16 | 117.7° | 69.0° |
| C36 | C35 | N34 | C40 | 37.7° | 55.4° |
| C36 | C35 | N34 | H14 | 120.4° | 119.9° |
| C36 | C35 | N34 | H15 | 120.4° | 119.8° |
| C35 | C36 | C37 | H6 | 156.6° | 153.9° |
| C35 | C36 | C37 | H7 | 35.4° | 31.7° |
| C36 | C35 | H14 | H15 | 118.8° | 120.2° |
| C35 | C36 | N41 | H29 | 46.4° | 47.8° |
| C7 | C8 | F11 | C9 | 177.6° | 179.9° |
| C7 | C8 | C9 | C4 | 1.7° | 0.0° |
| C7 | C8 | C9 | S10 | 178.6° | 180.0° |
| C8 | C7 | C6 | H1 | 178.9° | 179.7° |
| C15 | C16 | N34 | C40 | 163.0° | 117.6° |
| C15 | C16 | N34 | C35 | 41.4° | 117.6° |
| C16 | C15 | C14 | C13 | 178.0° | 179.9° |
| C16 | C15 | C14 | H3 | 2.0° | 0.2° |
| N34 | C16 | C15 | C14 | 2.7° | 0.1° |
| C16 | N34 | C40 | C35 | 155.7° | 124.4° |
| C16 | N34 | C35 | H14 | 121.8° | 171.1° |
| C16 | N34 | C35 | H15 | 2.7° | 50.8° |
| C16 | N34 | C40 | H16 | 3.7° | 50.7° |
| C16 | N34 | C40 | H17 | 123.1° | 171.0° |
| C15 | C14 | C13 | C12 | 1.5° | 0.0° |
| C15 | C14 | C13 | H3 | 180.0° | 179.8° |
| C15 | C14 | C13 | CL42 | 179.3° | 179.8° |
| C40 | N34 | C35 | H14 | 82.7° | 64.5° |
| C40 | N34 | C35 | H15 | 158.1° | 175.2° |
| N34 | C40 | H16 | H17 | 119.1° | 120.3° |
| N34 | C40 | C39 | H23 | 178.8° | 172.3° |
| N34 | C35 | H14 | H15 | 118.8° | 120.2° |
| C35 | N34 | C40 | H16 | 159.4° | 175.2° |
| C35 | N34 | C40 | H17 | 81.2° | 64.6° |
| N34 | C35 | C36 | H22 | 176.3° | 172.2° |
| C5 | C12 | C13 | C14 | 179.8° | 180.0° |
| C5 | C12 | C13 | CL42 | 1.9° | 0.2° |
| C12 | C5 | C4 | C9 | 178.8° | 180.0° |
| C12 | C5 | C4 | N3 | 2.1° | 0.0° |
| C12 | C5 | C6 | H1 | 0.3° | 0.3° |
| C13 | C12 | C5 | C4 | 82.9° | 90.0° |
| C12 | C13 | C14 | CL42 | 177.8° | 179.7° |
| C12 | C13 | C14 | H3 | 178.5° | 179.8° |
| C5 | C4 | C9 | C8 | 1.9° | 0.0° |
| C5 | C4 | C9 | N3 | 179.2° | 180.0° |
| C5 | C4 | C9 | S10 | 178.3° | 180.0° |
| C5 | C4 | N3 | C2 | 178.8° | 180.0° |
| C4 | C5 | C6 | H1 | 179.1° | 179.7° |
| F11 | C8 | C9 | C4 | 179.4° | 179.9° |
| F11 | C8 | C9 | S10 | 0.9° | 0.0° |
| F11 | C8 | C7 | H2 | 2.2° | 0.1° |
| C8 | C9 | C4 | S10 | 179.8° | 180.0° |
| C8 | C9 | C4 | N3 | 177.3° | 180.0° |
| C8 | C9 | S10 | C2 | 178.1° | 180.0° |
| C9 | C8 | C7 | H2 | 179.8° | 180.0° |
| CL42 | C13 | C14 | H3 | 0.7° | 0.1° |
| C9 | C4 | N3 | C2 | 2.0° | 0.0° |
| C4 | C9 | S10 | C2 | 1.7° | 0.0° |
| N3 | C4 | C9 | S10 | 2.4° | 0.0° |
| C4 | N3 | C2 | S10 | 0.7° | 0.1° |
| C4 | N3 | C2 | N1 | 179.8° | 180.0° |
| C9 | S10 | C2 | N3 | 0.6° | 0.0° |
| C9 | S10 | C2 | N1 | 178.6° | 180.0° |
| N3 | C2 | S10 | N1 | 179.1° | 179.9° |
| N3 | C2 | N1 | H27 | 0.0° | 0.0° |
| N3 | C2 | N1 | H28 | 120.0° | 179.9° |
| S10 | C2 | N1 | H27 | 179.1° | 179.9° |
| S10 | C2 | N1 | H28 | 59.1° | 0.0° |
| C2 | N1 | H27 | H28 | 120.0° | 179.9° |
| H1 | C6 | C7 | H2 | 1.1° | 0.3° |
| H4 | C27 | C26 | H10 | 37.1° | 159.2° |
| H4 | C27 | C26 | H11 | 84.7° | 36.0° |
| H4 | C27 | C28 | H18 | 83.0° | 38.0° |
| H4 | C27 | C28 | H19 | 39.0° | 160.3° |
| H5 | C27 | C26 | H10 | 158.7° | 35.3° |
| H5 | C27 | C26 | H11 | 36.9° | 87.8° |
| H5 | C27 | C28 | H18 | 38.6° | 85.8° |
| H5 | C27 | C28 | H19 | 160.5° | 36.4° |
| H6 | C37 | C38 | H8 | 125.0° | 122.4° |
| H6 | C37 | C38 | H9 | 3.9° | 0.0° |
| H6 | C37 | C36 | H22 | 29.8° | 29.0° |
| H7 | C37 | C38 | H8 | 3.8° | 0.0° |
| H7 | C37 | C38 | H9 | 117.3° | 122.4° |
| H7 | C37 | C36 | H22 | 91.4° | 93.2° |
| H8 | C38 | C39 | H23 | 96.5° | 93.3° |
| H9 | C38 | C39 | H23 | 24.6° | 29.1° |
| H12 | C33 | C31 | H24 | 88.1° | 87.8° |
| H13 | C33 | C31 | H24 | 33.1° | 35.3° |
| H14 | C35 | C36 | H22 | 55.9° | 67.9° |
| H15 | C35 | C36 | H22 | 63.3° | 52.4° |
| H16 | C40 | C39 | H23 | 60.9° | 52.4° |
| H17 | C40 | C39 | H23 | 58.5° | 67.8° |
| H20 | C30 | C31 | H24 | 35.1° | 36.6° |
| H21 | C30 | C31 | H24 | 86.4° | 85.7° |
| H22 | C36 | N41 | H29 | 76.0° | 76.5° |
| H23 | C39 | N41 | H29 | 77.2° | 76.5° |
