VM9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N43 | C4 | sing | 1.39Å | 1.40Å | |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | N5 | sing | 1.32Å | 1.35Å | Aromatic |
| CL42 | C13 | sing | 1.74Å | 1.71Å | |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| N5 | C6 | doub | 1.33Å | 1.36Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C12 | sing | 1.48Å | 1.46Å | |
| C13 | C14 | doub | 1.36Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| C14 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| F9 | C8 | sing | 1.40Å | 1.36Å | |
| C35 | N34 | sing | 1.47Å | 1.47Å | |
| C35 | C36 | sing | 1.54Å | 1.54Å | |
| C8 | F10 | sing | 1.40Å | 1.36Å | |
| C8 | F11 | sing | 1.40Å | 1.35Å | |
| N34 | C40 | sing | 1.47Å | 1.48Å | |
| N34 | C16 | sing | 1.38Å | 1.43Å | |
| C15 | C16 | doub | 1.42Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.42Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | F22 | sing | 1.35Å | 1.35Å | |
| N41 | C36 | sing | 1.49Å | 1.51Å | |
| N41 | C39 | sing | 1.49Å | 1.51Å | |
| C36 | C37 | sing | 1.55Å | 1.53Å | |
| C40 | C39 | sing | 1.54Å | 1.54Å | |
| C16 | N17 | sing | 1.32Å | 1.35Å | Aromatic |
| C20 | N19 | doub | 1.34Å | 1.35Å | Aromatic |
| C39 | C38 | sing | 1.55Å | 1.53Å | |
| N17 | C18 | doub | 1.33Å | 1.34Å | Aromatic |
| C37 | C38 | sing | 1.54Å | 1.54Å | |
| N19 | C18 | sing | 1.32Å | 1.35Å | Aromatic |
| C18 | O23 | sing | 1.35Å | 1.38Å | |
| O23 | C24 | sing | 1.43Å | 1.44Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| N29 | C28 | sing | 1.48Å | 1.52Å | |
| N29 | C25 | sing | 1.48Å | 1.55Å | |
| N29 | C30 | sing | 1.48Å | 1.52Å | |
| C28 | C27 | sing | 1.55Å | 1.52Å | |
| C27 | C26 | sing | 1.55Å | 1.52Å | |
| C25 | C26 | sing | 1.54Å | 1.53Å | |
| C25 | C33 | sing | 1.54Å | 1.54Å | |
| C30 | C31 | sing | 1.55Å | 1.51Å | |
| C33 | C31 | sing | 1.55Å | 1.51Å | |
| C31 | F32 | sing | 1.40Å | 1.37Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C27 | H3 | sing | 1.09Å | 1.10Å | |
| C27 | H4 | sing | 1.09Å | 1.10Å | |
| C37 | H5 | sing | 1.09Å | 1.10Å | |
| C37 | H6 | sing | 1.09Å | 1.10Å | |
| C38 | H7 | sing | 1.09Å | 1.10Å | |
| C38 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C33 | H11 | sing | 1.09Å | 1.10Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C35 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| C40 | H15 | sing | 1.09Å | 1.10Å | |
| C40 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C36 | H21 | sing | 1.09Å | 1.10Å | |
| C39 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| N43 | H29 | sing | 0.97Å | 1.00Å | |
| N43 | H30 | sing | 0.97Å | 1.00Å | |
| N41 | H31 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N43 | C4 | C3 | 119.3° | 119.7° |
| N43 | C4 | N5 | 119.0° | 119.6° |
| C4 | N43 | H29 | 109.5° | 120.0° |
| C4 | N43 | H30 | 109.5° | 120.0° |
| C3 | C4 | N5 | 121.7° | 120.7° |
| C4 | C3 | C2 | 118.9° | 119.3° |
| C4 | C3 | H2 | 120.5° | 120.3° |
| C4 | N5 | C6 | 119.3° | 121.5° |
| CL42 | C13 | C14 | 121.0° | 119.6° |
| CL42 | C13 | C12 | 117.8° | 119.6° |
| C3 | C2 | C1 | 117.7° | 120.7° |
| C3 | C2 | C7 | 119.9° | 118.6° |
| C2 | C3 | H2 | 120.6° | 120.4° |
| N5 | C6 | C7 | 122.2° | 120.6° |
| N5 | C6 | C12 | 109.9° | 119.7° |
| C1 | C2 | C7 | 122.5° | 120.7° |
| C2 | C1 | H24 | 109.5° | 109.5° |
| C2 | C1 | H25 | 109.4° | 109.5° |
| C2 | C1 | H26 | 109.5° | 109.5° |
| C2 | C7 | C6 | 117.9° | 119.2° |
| C2 | C7 | C8 | 121.5° | 120.4° |
| C7 | C6 | C12 | 127.8° | 119.7° |
| C6 | C7 | C8 | 120.6° | 120.4° |
| C6 | C12 | C13 | 123.6° | 119.7° |
| C6 | C12 | C21 | 117.7° | 119.7° |
| C14 | C13 | C12 | 121.2° | 120.8° |
| C13 | C14 | C15 | 120.4° | 119.9° |
| C13 | C14 | H1 | 119.8° | 120.1° |
| C13 | C12 | C21 | 117.7° | 120.5° |
| C7 | C8 | F9 | 110.9° | 109.4° |
| C7 | C8 | F10 | 113.2° | 109.4° |
| C7 | C8 | F11 | 112.7° | 109.4° |
| C14 | C15 | C16 | 125.8° | 121.8° |
| C14 | C15 | C20 | 119.1° | 119.9° |
| C15 | C14 | H1 | 119.8° | 120.0° |
| C12 | C21 | C20 | 123.5° | 119.4° |
| C12 | C21 | F22 | 118.9° | 120.3° |
| F9 | C8 | F10 | 104.5° | 109.5° |
| F9 | C8 | F11 | 108.1° | 109.5° |
| N34 | C35 | C36 | 109.8° | 109.0° |
| C35 | N34 | C40 | 118.7° | 111.7° |
| C35 | N34 | C16 | 121.2° | 111.0° |
| N34 | C35 | H13 | 109.4° | 109.5° |
| N34 | C35 | H14 | 109.4° | 109.6° |
| C35 | C36 | N41 | 109.5° | 107.0° |
| C35 | C36 | C37 | 110.8° | 107.6° |
| C36 | C35 | H13 | 109.4° | 109.5° |
| C36 | C35 | H14 | 109.4° | 109.5° |
| C35 | C36 | H21 | 111.3° | 112.3° |
| F10 | C8 | F11 | 107.0° | 109.5° |
| C40 | N34 | C16 | 117.7° | 111.0° |
| N34 | C40 | C39 | 110.8° | 108.9° |
| N34 | C40 | H15 | 109.2° | 109.5° |
| N34 | C40 | H16 | 109.1° | 109.6° |
| N34 | C16 | C15 | 123.4° | 120.8° |
| N34 | C16 | N17 | 114.3° | 120.8° |
| C16 | C15 | C20 | 115.1° | 118.2° |
| C15 | C16 | N17 | 122.2° | 118.3° |
| C15 | C20 | C21 | 118.1° | 119.4° |
| C15 | C20 | N19 | 123.1° | 118.8° |
| C20 | C21 | F22 | 117.5° | 120.2° |
| C21 | C20 | N19 | 118.8° | 121.8° |
| C36 | N41 | C39 | 103.1° | 103.0° |
| N41 | C36 | C37 | 101.6° | 104.0° |
| N41 | C36 | H21 | 111.8° | 113.0° |
| C36 | N41 | H31 | 111.0° | 111.0° |
| N41 | C39 | C40 | 106.1° | 106.9° |
| N41 | C39 | C38 | 101.3° | 104.0° |
| N41 | C39 | H22 | 112.4° | 113.0° |
| C39 | N41 | H31 | 111.0° | 111.0° |
| C36 | C37 | C38 | 105.5° | 104.7° |
| C36 | C37 | H5 | 110.4° | 110.4° |
| C36 | C37 | H6 | 110.4° | 110.5° |
| C37 | C36 | H21 | 111.5° | 112.4° |
| C40 | C39 | C38 | 112.5° | 107.6° |
| C39 | C40 | H15 | 109.1° | 109.6° |
| C39 | C40 | H16 | 109.1° | 109.6° |
| C40 | C39 | H22 | 111.9° | 112.3° |
| C16 | N17 | C18 | 117.8° | 121.5° |
| C20 | N19 | C18 | 116.6° | 120.5° |
| C39 | C38 | C37 | 105.9° | 104.7° |
| C39 | C38 | H7 | 110.3° | 110.4° |
| C39 | C38 | H8 | 110.3° | 110.4° |
| C38 | C39 | H22 | 112.1° | 112.4° |
| N17 | C18 | N19 | 125.2° | 122.8° |
| N17 | C18 | O23 | 121.0° | 118.6° |
| C38 | C37 | H5 | 110.4° | 110.4° |
| C38 | C37 | H6 | 110.5° | 110.4° |
| C37 | C38 | H7 | 110.4° | 110.4° |
| C37 | C38 | H8 | 110.4° | 110.4° |
| N19 | C18 | O23 | 113.8° | 118.6° |
| C18 | O23 | C24 | 114.8° | 117.0° |
| O23 | C24 | C25 | 105.6° | 109.5° |
| O23 | C24 | H27 | 110.5° | 109.4° |
| O23 | C24 | H28 | 110.4° | 109.4° |
| C24 | C25 | N29 | 108.5° | 111.4° |
| C24 | C25 | C26 | 109.9° | 110.8° |
| C24 | C25 | C33 | 111.6° | 110.7° |
| C25 | C24 | H27 | 110.5° | 109.5° |
| C25 | C24 | H28 | 110.4° | 109.5° |
| C28 | N29 | C25 | 105.7° | 108.4° |
| C28 | N29 | C30 | 115.4° | 109.4° |
| N29 | C28 | C27 | 103.6° | 105.1° |
| N29 | C28 | H17 | 110.9° | 110.3° |
| N29 | C28 | H18 | 110.9° | 110.4° |
| C25 | N29 | C30 | 107.1° | 108.4° |
| N29 | C25 | C26 | 106.1° | 107.2° |
| N29 | C25 | C33 | 105.4° | 107.3° |
| N29 | C30 | C31 | 104.5° | 105.1° |
| N29 | C30 | H19 | 110.7° | 110.3° |
| N29 | C30 | H20 | 110.7° | 110.4° |
| C28 | C27 | C26 | 103.6° | 101.7° |
| C28 | C27 | H3 | 110.9° | 110.9° |
| C28 | C27 | H4 | 110.9° | 111.0° |
| C27 | C28 | H17 | 110.9° | 110.3° |
| C27 | C28 | H18 | 110.9° | 110.3° |
| C27 | C26 | C25 | 103.1° | 102.9° |
| C26 | C27 | H3 | 110.9° | 111.0° |
| C26 | C27 | H4 | 110.9° | 111.0° |
| C27 | C26 | H9 | 111.1° | 110.7° |
| C27 | C26 | H10 | 111.0° | 110.8° |
| C26 | C25 | C33 | 114.9° | 109.4° |
| C25 | C26 | H9 | 111.0° | 110.7° |
| C25 | C26 | H10 | 111.1° | 110.8° |
| C25 | C33 | C31 | 105.3° | 102.9° |
| C25 | C33 | H11 | 110.5° | 110.7° |
| C25 | C33 | H12 | 110.5° | 110.9° |
| C30 | C31 | C33 | 105.4° | 101.7° |
| C30 | C31 | F32 | 109.0° | 111.0° |
| C31 | C30 | H19 | 110.7° | 110.3° |
| C31 | C30 | H20 | 110.7° | 110.3° |
| C30 | C31 | H23 | 110.8° | 111.0° |
| C33 | C31 | F32 | 107.5° | 111.0° |
| C31 | C33 | H11 | 110.5° | 110.7° |
| C31 | C33 | H12 | 110.5° | 110.8° |
| C33 | C31 | H23 | 110.8° | 111.0° |
| F32 | C31 | H23 | 113.1° | 110.9° |
| H3 | C27 | H4 | 109.5° | 110.9° |
| H5 | C37 | H6 | 109.5° | 110.4° |
| H7 | C38 | H8 | 109.5° | 110.4° |
| H9 | C26 | H10 | 109.5° | 110.6° |
| H11 | C33 | H12 | 109.4° | 110.7° |
| H13 | C35 | H14 | 109.5° | 109.6° |
| H15 | C40 | H16 | 109.5° | 109.6° |
| H17 | C28 | H18 | 109.5° | 110.3° |
| H19 | C30 | H20 | 109.5° | 110.3° |
| H24 | C1 | H25 | 109.5° | 109.5° |
| H24 | C1 | H26 | 109.4° | 109.5° |
| H25 | C1 | H26 | 109.5° | 109.5° |
| H27 | C24 | H28 | 109.4° | 109.5° |
| H29 | N43 | H30 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N43 | C4 | C3 | N5 | 179.7° | 179.4° |
| N43 | C4 | C3 | C2 | 178.2° | 180.0° |
| N43 | C4 | N5 | C6 | 179.1° | 180.0° |
| N43 | C4 | C3 | H2 | 1.8° | 0.2° |
| C4 | N43 | H29 | H30 | 120.0° | 179.9° |
| C4 | C3 | C2 | H2 | 180.0° | 179.7° |
| C3 | C4 | N5 | C6 | 0.6° | 0.6° |
| C4 | C3 | C2 | C1 | 179.9° | 179.7° |
| C4 | C3 | C2 | C7 | 1.1° | 0.3° |
| C3 | C4 | N43 | H29 | 179.7° | 0.1° |
| C3 | C4 | N43 | H30 | 59.7° | 180.0° |
| N5 | C4 | C3 | C2 | 1.5° | 0.6° |
| C4 | N5 | C6 | C7 | 0.8° | 0.3° |
| C4 | N5 | C6 | C12 | 176.3° | 179.7° |
| N5 | C4 | C3 | H2 | 178.5° | 179.6° |
| N5 | C4 | N43 | H29 | 0.0° | 179.4° |
| N5 | C4 | N43 | H30 | 120.0° | 0.5° |
| CL42 | C13 | C12 | C6 | 11.8° | 0.3° |
| CL42 | C13 | C14 | C12 | 179.1° | 179.4° |
| CL42 | C13 | C14 | C15 | 178.3° | 180.0° |
| CL42 | C13 | C12 | C21 | 179.9° | 180.0° |
| CL42 | C13 | C14 | H1 | 1.6° | 0.3° |
| C3 | C2 | C1 | C7 | 178.7° | 179.9° |
| C3 | C2 | C7 | C6 | 0.2° | 0.0° |
| C3 | C2 | C7 | C8 | 179.5° | 180.0° |
| C3 | C2 | C1 | H24 | 90.6° | 90.0° |
| C3 | C2 | C1 | H25 | 149.4° | 150.0° |
| C3 | C2 | C1 | H26 | 29.4° | 30.0° |
| N5 | C6 | C7 | C2 | 1.2° | 0.0° |
| N5 | C6 | C7 | C12 | 176.6° | 180.0° |
| N5 | C6 | C12 | C13 | 74.1° | 69.5° |
| N5 | C6 | C7 | C8 | 178.5° | 180.0° |
| N5 | C6 | C12 | C21 | 94.0° | 110.1° |
| C1 | C2 | C7 | C6 | 178.5° | 180.0° |
| C1 | C2 | C7 | C8 | 1.8° | 0.0° |
| C1 | C2 | C3 | H2 | 0.2° | 0.0° |
| C2 | C1 | H24 | H25 | 120.0° | 120.0° |
| C2 | C1 | H24 | H26 | 120.0° | 120.0° |
| C2 | C1 | H25 | H26 | 120.0° | 120.0° |
| C2 | C7 | C6 | C8 | 179.7° | 180.0° |
| C2 | C7 | C6 | C12 | 175.4° | 180.0° |
| C2 | C7 | C8 | F9 | 46.3° | 81.3° |
| C2 | C7 | C8 | F10 | 163.4° | 38.7° |
| C2 | C7 | C8 | F11 | 75.0° | 158.7° |
| C7 | C2 | C3 | H2 | 178.9° | 179.9° |
| C7 | C2 | C1 | H24 | 90.7° | 90.1° |
| C7 | C2 | C1 | H25 | 29.3° | 30.0° |
| C7 | C2 | C1 | H26 | 149.3° | 150.0° |
| C7 | C6 | C12 | C13 | 109.0° | 110.5° |
| C7 | C6 | C12 | C21 | 82.9° | 69.8° |
| C6 | C7 | C8 | F9 | 133.4° | 98.7° |
| C6 | C7 | C8 | F10 | 16.3° | 141.3° |
| C6 | C7 | C8 | F11 | 105.3° | 21.3° |
| C6 | C12 | C13 | C14 | 167.3° | 179.7° |
| C6 | C12 | C13 | C21 | 168.1° | 179.7° |
| C12 | C6 | C7 | C8 | 4.9° | 0.0° |
| C6 | C12 | C21 | C20 | 169.0° | 180.0° |
| C6 | C12 | C21 | F22 | 14.7° | 0.3° |
| C13 | C14 | C15 | H1 | 180.0° | 179.7° |
| C14 | C13 | C12 | C21 | 0.8° | 0.7° |
| C13 | C14 | C15 | C16 | 176.1° | 179.7° |
| C13 | C14 | C15 | C20 | 3.2° | 0.3° |
| C12 | C13 | C14 | C15 | 0.7° | 0.6° |
| C13 | C12 | C21 | C20 | 0.1° | 0.3° |
| C13 | C12 | C21 | F22 | 176.4° | 180.0° |
| C12 | C13 | C14 | H1 | 179.3° | 179.7° |
| C7 | C8 | F9 | F10 | 122.3° | 120.0° |
| C7 | C8 | F9 | F11 | 124.0° | 120.0° |
| C7 | C8 | F10 | F11 | 124.7° | 120.0° |
| C14 | C15 | C16 | N34 | 3.4° | 0.1° |
| C14 | C15 | C16 | C20 | 179.3° | 179.9° |
| C14 | C15 | C20 | C21 | 4.0° | 0.0° |
| C14 | C15 | C16 | N17 | 179.3° | 180.0° |
| C14 | C15 | C20 | N19 | 179.1° | 180.0° |
| C12 | C21 | C20 | C15 | 2.6° | 0.0° |
| C12 | C21 | C20 | F22 | 176.4° | 179.7° |
| C12 | C21 | C20 | N19 | 179.6° | 180.0° |
| F9 | C8 | F10 | F11 | 114.5° | 120.1° |
| N34 | C35 | C36 | H13 | 120.0° | 119.8° |
| N34 | C35 | C36 | H14 | 120.0° | 119.9° |
| C35 | N34 | C40 | C16 | 162.8° | 124.4° |
| C35 | N34 | C16 | C15 | 43.6° | 117.6° |
| N34 | C35 | C36 | N41 | 54.3° | 63.5° |
| N34 | C35 | C36 | C37 | 57.0° | 47.7° |
| C35 | N34 | C40 | C39 | 43.7° | 55.3° |
| C35 | N34 | C16 | N17 | 140.2° | 62.4° |
| N34 | C35 | H13 | H14 | 119.9° | 120.3° |
| C35 | N34 | C40 | H15 | 76.5° | 175.2° |
| C35 | N34 | C40 | H16 | 163.9° | 64.6° |
| N34 | C35 | C36 | H21 | 178.4° | 171.9° |
| C36 | C35 | N34 | C40 | 40.7° | 55.3° |
| C36 | C35 | N34 | C16 | 121.4° | 69.1° |
| C35 | C36 | N41 | C37 | 117.2° | 113.7° |
| C35 | C36 | N41 | H21 | 123.8° | 124.2° |
| C35 | C36 | N41 | C39 | 71.6° | 70.9° |
| C35 | C36 | C37 | H21 | 124.5° | 124.2° |
| C35 | C36 | C37 | C38 | 88.7° | 87.3° |
| C35 | C36 | C37 | H5 | 30.6° | 153.9° |
| C35 | C36 | C37 | H6 | 151.9° | 31.6° |
| C36 | C35 | H13 | H14 | 119.9° | 120.2° |
| C35 | C36 | N41 | H31 | 169.4° | 170.2° |
| C40 | N34 | C16 | C15 | 154.1° | 117.6° |
| N34 | C40 | C39 | N41 | 58.4° | 63.6° |
| N34 | C40 | C39 | H15 | 120.2° | 119.8° |
| N34 | C40 | C39 | H16 | 120.2° | 119.9° |
| C40 | N34 | C16 | N17 | 22.1° | 62.4° |
| N34 | C40 | C39 | C38 | 51.6° | 47.7° |
| C40 | N34 | C35 | H13 | 160.7° | 64.5° |
| C40 | N34 | C35 | H14 | 79.3° | 175.2° |
| N34 | C40 | H15 | H16 | 119.4° | 120.3° |
| N34 | C40 | C39 | H22 | 178.8° | 171.9° |
| N34 | C16 | C15 | N17 | 175.9° | 180.0° |
| N34 | C16 | C15 | C20 | 175.9° | 180.0° |
| C16 | N34 | C40 | C39 | 119.0° | 69.1° |
| N34 | C16 | N17 | C18 | 178.6° | 180.0° |
| C16 | N34 | C35 | H13 | 1.4° | 171.0° |
| C16 | N34 | C35 | H14 | 118.5° | 50.7° |
| C16 | N34 | C40 | H15 | 120.8° | 50.8° |
| C16 | N34 | C40 | H16 | 1.1° | 171.0° |
| C16 | C15 | C20 | C21 | 175.4° | 179.9° |
| C16 | C15 | C20 | N19 | 1.5° | 0.0° |
| C15 | C16 | N17 | C18 | 2.3° | 0.0° |
| C16 | C15 | C14 | H1 | 3.9° | 0.1° |
| C15 | C20 | C21 | N19 | 177.0° | 180.0° |
| C15 | C20 | C21 | F22 | 178.9° | 179.7° |
| C20 | C15 | C16 | N17 | 0.0° | 0.0° |
| C15 | C20 | N19 | C18 | 0.7° | 0.0° |
| C20 | C15 | C14 | H1 | 176.8° | 180.0° |
| C21 | C20 | N19 | C18 | 176.2° | 180.0° |
| F22 | C21 | C20 | N19 | 4.0° | 0.2° |
| C36 | N41 | C39 | H31 | 119.0° | 118.9° |
| N41 | C36 | C37 | H21 | 119.2° | 122.6° |
| C36 | N41 | C39 | C40 | 72.2° | 70.9° |
| C36 | N41 | C39 | C38 | 45.5° | 42.8° |
| N41 | C36 | C37 | C38 | 27.5° | 25.9° |
| N41 | C36 | C37 | H5 | 146.9° | 92.8° |
| N41 | C36 | C37 | H6 | 91.9° | 144.8° |
| N41 | C36 | C35 | H13 | 174.4° | 56.3° |
| N41 | C36 | C35 | H14 | 65.7° | 176.5° |
| C36 | N41 | C39 | H22 | 165.3° | 165.0° |
| C39 | N41 | C36 | C37 | 45.6° | 42.8° |
| N41 | C39 | C40 | C38 | 110.0° | 111.3° |
| N41 | C39 | C40 | H22 | 122.9° | 124.5° |
| N41 | C39 | C38 | H22 | 120.0° | 122.6° |
| N41 | C39 | C38 | C37 | 27.4° | 25.9° |
| N41 | C39 | C38 | H7 | 92.1° | 144.7° |
| N41 | C39 | C38 | H8 | 146.8° | 92.9° |
| N41 | C39 | C40 | H15 | 61.8° | 176.6° |
| N41 | C39 | C40 | H16 | 178.5° | 56.3° |
| C39 | N41 | C36 | H21 | 164.6° | 165.0° |
| C36 | C37 | C38 | C39 | 0.1° | 0.0° |
| C36 | C37 | C38 | H5 | 119.4° | 118.8° |
| C36 | C37 | C38 | H6 | 119.4° | 119.0° |
| C36 | C37 | H5 | H6 | 121.8° | 122.4° |
| C36 | C37 | C38 | H7 | 119.5° | 118.8° |
| C36 | C37 | C38 | H8 | 119.3° | 118.9° |
| C37 | C36 | C35 | H13 | 63.1° | 167.5° |
| C37 | C36 | C35 | H14 | 177.0° | 72.3° |
| C37 | C36 | N41 | H31 | 73.4° | 76.1° |
| C40 | C39 | C38 | H22 | 127.1° | 124.1° |
| C40 | C39 | C38 | C37 | 85.5° | 87.3° |
| C40 | C39 | C38 | H7 | 155.0° | 31.5° |
| C40 | C39 | C38 | H8 | 33.9° | 153.9° |
| C39 | C40 | H15 | H16 | 119.4° | 120.3° |
| C40 | C39 | N41 | H31 | 168.8° | 170.2° |
| C16 | N17 | C18 | N19 | 3.4° | 0.0° |
| C16 | N17 | C18 | O23 | 179.4° | 180.0° |
| C20 | N19 | C18 | N17 | 1.9° | 0.0° |
| C20 | N19 | C18 | O23 | 179.3° | 180.0° |
| C39 | C38 | C37 | H7 | 119.4° | 118.8° |
| C39 | C38 | C37 | H8 | 119.4° | 118.8° |
| C39 | C38 | C37 | H5 | 119.4° | 118.8° |
| C39 | C38 | C37 | H6 | 119.3° | 119.0° |
| C39 | C38 | H7 | H8 | 121.6° | 122.4° |
| C38 | C39 | C40 | H15 | 171.8° | 72.2° |
| C38 | C39 | C40 | H16 | 68.6° | 167.6° |
| C38 | C39 | N41 | H31 | 73.5° | 76.1° |
| N17 | C18 | N19 | O23 | 177.4° | 180.0° |
| N17 | C18 | O23 | C24 | 8.5° | 180.0° |
| C38 | C37 | H5 | H6 | 121.8° | 122.3° |
| C37 | C38 | H7 | H8 | 121.7° | 122.3° |
| C38 | C37 | C36 | H21 | 146.7° | 148.5° |
| C37 | C38 | C39 | H22 | 147.4° | 148.5° |
| N19 | C18 | O23 | C24 | 174.0° | 0.0° |
| C18 | O23 | C24 | C25 | 179.2° | 180.0° |
| C18 | O23 | C24 | H27 | 61.4° | 60.0° |
| C18 | O23 | C24 | H28 | 59.8° | 60.0° |
| O23 | C24 | C25 | H27 | 119.4° | 120.0° |
| O23 | C24 | C25 | H28 | 119.4° | 120.0° |
| O23 | C24 | C25 | N29 | 59.9° | 179.7° |
| O23 | C24 | C25 | C26 | 175.4° | 61.0° |
| O23 | C24 | C25 | C33 | 55.9° | 60.5° |
| O23 | C24 | H27 | H28 | 121.8° | 119.9° |
| C24 | C25 | N29 | C28 | 119.9° | 120.7° |
| C24 | C25 | N29 | C26 | 118.0° | 121.3° |
| C24 | C25 | N29 | C33 | 119.7° | 121.3° |
| C24 | C25 | N29 | C30 | 116.5° | 120.7° |
| C24 | C25 | C26 | C27 | 93.8° | 98.1° |
| C24 | C25 | C26 | C33 | 126.8° | 122.3° |
| C24 | C25 | C33 | C31 | 135.7° | 98.2° |
| C24 | C25 | C26 | H9 | 25.2° | 20.2° |
| C24 | C25 | C26 | H10 | 147.2° | 143.4° |
| C24 | C25 | C33 | H11 | 16.3° | 143.5° |
| C24 | C25 | C33 | H12 | 104.9° | 20.3° |
| C25 | C24 | H27 | H28 | 121.8° | 120.1° |
| C28 | N29 | C25 | C30 | 123.6° | 118.6° |
| N29 | C28 | C27 | H17 | 119.0° | 118.9° |
| N29 | C28 | C27 | H18 | 119.0° | 119.0° |
| N29 | C28 | C27 | C26 | 41.6° | 36.7° |
| C28 | N29 | C25 | C26 | 1.9° | 0.6° |
| C28 | N29 | C25 | C33 | 120.4° | 118.0° |
| C28 | N29 | C30 | C31 | 94.1° | 140.8° |
| N29 | C28 | C27 | H3 | 77.4° | 154.8° |
| N29 | C28 | C27 | H4 | 160.7° | 81.5° |
| N29 | C28 | H17 | H18 | 122.7° | 122.2° |
| C28 | N29 | C30 | H19 | 25.1° | 100.3° |
| C28 | N29 | C30 | H20 | 146.7° | 21.8° |
| C25 | N29 | C28 | C27 | 26.5° | 22.8° |
| N29 | C25 | C26 | C27 | 23.2° | 23.6° |
| N29 | C25 | C26 | C33 | 116.1° | 116.0° |
| C25 | N29 | C30 | C31 | 23.3° | 22.8° |
| N29 | C25 | C33 | C31 | 18.1° | 23.5° |
| N29 | C25 | C26 | H9 | 142.2° | 142.0° |
| N29 | C25 | C26 | H10 | 95.7° | 94.9° |
| N29 | C25 | C33 | H11 | 101.2° | 94.8° |
| N29 | C25 | C33 | H12 | 137.5° | 142.0° |
| C25 | N29 | C28 | H17 | 145.5° | 96.1° |
| C25 | N29 | C28 | H18 | 92.6° | 141.7° |
| C25 | N29 | C30 | H19 | 142.5° | 141.7° |
| C25 | N29 | C30 | H20 | 95.9° | 96.1° |
| N29 | C25 | C24 | H27 | 179.3° | 59.7° |
| N29 | C25 | C24 | H28 | 59.5° | 60.3° |
| C30 | N29 | C28 | C27 | 144.7° | 140.8° |
| C30 | N29 | C25 | C26 | 125.5° | 118.0° |
| C30 | N29 | C25 | C33 | 3.2° | 0.6° |
| N29 | C30 | C31 | H19 | 119.2° | 118.9° |
| N29 | C30 | C31 | H20 | 119.2° | 119.0° |
| N29 | C30 | C31 | C33 | 34.9° | 36.7° |
| N29 | C30 | C31 | F32 | 80.2° | 154.8° |
| C30 | N29 | C28 | H17 | 96.3° | 21.9° |
| C30 | N29 | C28 | H18 | 25.6° | 100.3° |
| N29 | C30 | H19 | H20 | 122.3° | 122.2° |
| N29 | C30 | C31 | H23 | 154.8° | 81.4° |
| C28 | C27 | C26 | H3 | 119.1° | 118.0° |
| C28 | C27 | C26 | H4 | 119.1° | 118.2° |
| C28 | C27 | C26 | C25 | 40.0° | 36.2° |
| C28 | C27 | H3 | H4 | 122.8° | 123.9° |
| C28 | C27 | C26 | H9 | 159.0° | 154.5° |
| C28 | C27 | C26 | H10 | 79.0° | 82.3° |
| C27 | C28 | H17 | H18 | 122.8° | 122.1° |
| C27 | C26 | C25 | H9 | 119.0° | 118.4° |
| C27 | C26 | C25 | H10 | 119.0° | 118.5° |
| C27 | C26 | C25 | C33 | 139.3° | 139.6° |
| C26 | C27 | H3 | H4 | 122.7° | 123.9° |
| C27 | C26 | H9 | H10 | 123.0° | 123.2° |
| C26 | C27 | C28 | H17 | 160.6° | 82.2° |
| C26 | C27 | C28 | H18 | 77.4° | 155.7° |
| C26 | C25 | C33 | C31 | 98.3° | 139.5° |
| C25 | C26 | C27 | H3 | 79.0° | 154.2° |
| C25 | C26 | C27 | H4 | 159.1° | 81.9° |
| C25 | C26 | H9 | H10 | 123.0° | 123.3° |
| C26 | C25 | C33 | H11 | 142.3° | 21.2° |
| C26 | C25 | C33 | H12 | 21.0° | 102.0° |
| C26 | C25 | C24 | H27 | 65.1° | 179.0° |
| C26 | C25 | C24 | H28 | 56.1° | 58.9° |
| C25 | C33 | C31 | C30 | 33.1° | 36.1° |
| C25 | C33 | C31 | H11 | 119.4° | 118.3° |
| C25 | C33 | C31 | H12 | 119.3° | 118.5° |
| C25 | C33 | C31 | F32 | 83.0° | 154.2° |
| C33 | C25 | C26 | H9 | 101.7° | 102.0° |
| C33 | C25 | C26 | H10 | 20.4° | 21.1° |
| C25 | C33 | H11 | H12 | 121.9° | 123.3° |
| C25 | C33 | C31 | H23 | 153.0° | 82.0° |
| C33 | C25 | C24 | H27 | 63.6° | 59.5° |
| C33 | C25 | C24 | H28 | 175.2° | 179.6° |
| C30 | C31 | C33 | F32 | 116.1° | 118.1° |
| C30 | C31 | C33 | H23 | 119.9° | 118.2° |
| C30 | C31 | F32 | H23 | 123.7° | 123.9° |
| C30 | C31 | C33 | H11 | 86.3° | 82.1° |
| C30 | C31 | C33 | H12 | 152.4° | 154.7° |
| C31 | C30 | H19 | H20 | 122.3° | 122.1° |
| C33 | C31 | F32 | H23 | 122.6° | 123.8° |
| C31 | C33 | H11 | H12 | 122.0° | 123.2° |
| C33 | C31 | C30 | H19 | 154.1° | 155.6° |
| C33 | C31 | C30 | H20 | 84.3° | 82.3° |
| F32 | C31 | C33 | H11 | 157.6° | 35.9° |
| F32 | C31 | C33 | H12 | 36.3° | 87.3° |
| F32 | C31 | C30 | H19 | 39.0° | 86.3° |
| F32 | C31 | C30 | H20 | 160.6° | 35.8° |
| H3 | C27 | C26 | H9 | 39.9° | 87.4° |
| H3 | C27 | C26 | H10 | 162.0° | 35.7° |
| H3 | C27 | C28 | H17 | 41.6° | 35.8° |
| H3 | C27 | C28 | H18 | 163.5° | 86.3° |
| H4 | C27 | C26 | H9 | 81.9° | 36.4° |
| H4 | C27 | C26 | H10 | 40.1° | 159.5° |
| H4 | C27 | C28 | H17 | 80.3° | 159.6° |
| H4 | C27 | C28 | H18 | 41.6° | 37.5° |
| H5 | C37 | C38 | H7 | 121.1° | 122.4° |
| H5 | C37 | C38 | H8 | 0.0° | 0.1° |
| H5 | C37 | C36 | H21 | 93.9° | 29.8° |
| H6 | C37 | C38 | H7 | 0.1° | 0.2° |
| H6 | C37 | C38 | H8 | 121.3° | 122.2° |
| H6 | C37 | C36 | H21 | 27.3° | 92.6° |
| H7 | C38 | C39 | H22 | 27.9° | 92.7° |
| H8 | C38 | C39 | H22 | 93.2° | 29.7° |
| H11 | C33 | C31 | H23 | 33.6° | 159.7° |
| H12 | C33 | C31 | H23 | 87.7° | 36.5° |
| H13 | C35 | C36 | H21 | 61.6° | 68.3° |
| H14 | C35 | C36 | H21 | 58.3° | 52.0° |
| H15 | C40 | C39 | H22 | 61.0° | 52.1° |
| H16 | C40 | C39 | H22 | 58.6° | 68.2° |
| H19 | C30 | C31 | H23 | 86.0° | 37.5° |
| H20 | C30 | C31 | H23 | 35.6° | 159.6° |
| H21 | C36 | N41 | H31 | 45.6° | 46.1° |
| H22 | C39 | N41 | H31 | 46.3° | 46.2° |
| H24 | C1 | H25 | H26 | 120.0° | 120.0° |
