VR5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.38Å | 1.34Å | |
| F26 | C23 | sing | 1.40Å | 1.35Å | |
| C2 | S3 | sing | 1.75Å | 1.71Å | Aromatic |
| C2 | C10 | doub | 1.36Å | 1.38Å | Aromatic |
| S3 | C4 | sing | 1.76Å | 1.73Å | Aromatic |
| F24 | C23 | sing | 1.40Å | 1.35Å | |
| C10 | C11 | sing | 1.43Å | 1.42Å | |
| C10 | C9 | sing | 1.46Å | 1.44Å | Aromatic |
| C11 | N12 | trip | 1.14Å | 1.16Å | |
| C23 | F25 | sing | 1.40Å | 1.36Å | |
| C23 | C22 | sing | 1.51Å | 1.48Å | |
| C4 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| F47 | C5 | sing | 1.35Å | 1.35Å | |
| C9 | C8 | sing | 1.42Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.36Å | 1.39Å | Aromatic |
| C22 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.48Å | 1.48Å | |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | N27 | sing | 1.47Å | 1.47Å | |
| C33 | C32 | sing | 1.54Å | 1.54Å | |
| N27 | C28 | sing | 1.47Å | 1.48Å | |
| N27 | C19 | sing | 1.38Å | 1.43Å | |
| N34 | C32 | sing | 1.49Å | 1.51Å | |
| N34 | C29 | sing | 1.49Å | 1.50Å | |
| C20 | C19 | doub | 1.42Å | 1.40Å | Aromatic |
| C20 | C15 | sing | 1.42Å | 1.41Å | Aromatic |
| C32 | C31 | sing | 1.55Å | 1.52Å | |
| C28 | C29 | sing | 1.54Å | 1.54Å | |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | F46 | sing | 1.35Å | 1.35Å | |
| C19 | N18 | sing | 1.33Å | 1.35Å | Aromatic |
| C15 | N16 | doub | 1.34Å | 1.35Å | Aromatic |
| C29 | C30 | sing | 1.55Å | 1.53Å | |
| N18 | C17 | doub | 1.33Å | 1.33Å | Aromatic |
| C31 | C30 | sing | 1.54Å | 1.53Å | |
| N16 | C17 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | O35 | sing | 1.35Å | 1.38Å | |
| O35 | C36 | sing | 1.43Å | 1.42Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| N41 | C40 | sing | 1.48Å | 1.52Å | |
| N41 | C37 | sing | 1.48Å | 1.54Å | |
| N41 | C42 | sing | 1.48Å | 1.52Å | |
| C40 | C39 | sing | 1.55Å | 1.51Å | |
| C39 | C38 | sing | 1.55Å | 1.52Å | |
| C37 | C38 | sing | 1.54Å | 1.54Å | |
| C37 | C45 | sing | 1.54Å | 1.53Å | |
| C42 | C43 | sing | 1.55Å | 1.51Å | |
| C45 | C43 | sing | 1.55Å | 1.52Å | |
| C43 | F44 | sing | 1.40Å | 1.37Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C39 | H4 | sing | 1.09Å | 1.10Å | |
| C39 | H5 | sing | 1.09Å | 1.10Å | |
| C30 | H6 | sing | 1.09Å | 1.10Å | |
| C30 | H7 | sing | 1.09Å | 1.10Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C38 | H10 | sing | 1.09Å | 1.10Å | |
| C38 | H11 | sing | 1.09Å | 1.10Å | |
| C45 | H12 | sing | 1.09Å | 1.10Å | |
| C45 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C40 | H18 | sing | 1.09Å | 1.10Å | |
| C40 | H19 | sing | 1.09Å | 1.10Å | |
| C42 | H20 | sing | 1.09Å | 1.10Å | |
| C42 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C43 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| N1 | H27 | sing | 0.97Å | 1.00Å | |
| N1 | H28 | sing | 0.97Å | 1.00Å | |
| N34 | H29 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | S3 | 120.8° | 124.6° |
| N1 | C2 | C10 | 126.3° | 124.5° |
| C2 | N1 | H27 | 109.5° | 120.0° |
| C2 | N1 | H28 | 109.5° | 120.0° |
| F26 | C23 | F24 | 105.6° | 109.5° |
| F26 | C23 | F25 | 107.9° | 109.5° |
| F26 | C23 | C22 | 113.8° | 109.5° |
| S3 | C2 | C10 | 112.9° | 110.9° |
| C2 | S3 | C4 | 91.3° | 92.6° |
| C2 | C10 | C11 | 121.0° | 123.1° |
| C2 | C10 | C9 | 112.8° | 113.8° |
| S3 | C4 | C9 | 112.5° | 110.5° |
| S3 | C4 | C5 | 127.2° | 129.8° |
| F24 | C23 | F25 | 104.7° | 109.5° |
| F24 | C23 | C22 | 112.5° | 109.4° |
| C11 | C10 | C9 | 126.2° | 123.1° |
| C10 | C11 | N12 | 178.1° | 180.0° |
| C10 | C9 | C4 | 110.3° | 112.2° |
| C10 | C9 | C8 | 130.2° | 128.8° |
| F25 | C23 | C22 | 111.7° | 109.5° |
| C23 | C22 | C21 | 119.0° | 119.6° |
| C23 | C22 | C13 | 119.6° | 119.7° |
| C9 | C4 | C5 | 120.3° | 119.8° |
| C4 | C9 | C8 | 119.4° | 118.9° |
| C4 | C5 | F47 | 119.3° | 119.7° |
| C4 | C5 | C6 | 120.0° | 120.7° |
| F47 | C5 | C6 | 120.8° | 119.6° |
| C9 | C8 | C13 | 120.9° | 119.9° |
| C9 | C8 | C7 | 119.5° | 120.2° |
| C5 | C6 | C7 | 120.4° | 120.2° |
| C5 | C6 | H2 | 119.8° | 119.9° |
| C21 | C22 | C13 | 121.4° | 120.8° |
| C22 | C21 | C20 | 120.7° | 119.9° |
| C22 | C21 | H3 | 119.6° | 120.0° |
| C22 | C13 | C8 | 124.3° | 119.7° |
| C22 | C13 | C14 | 117.3° | 120.6° |
| C13 | C8 | C7 | 119.6° | 119.9° |
| C8 | C13 | C14 | 118.4° | 119.7° |
| C8 | C7 | C6 | 120.5° | 120.2° |
| C8 | C7 | H1 | 119.8° | 119.9° |
| C21 | C20 | C19 | 125.5° | 121.8° |
| C21 | C20 | C15 | 118.5° | 119.9° |
| C20 | C21 | H3 | 119.6° | 120.0° |
| C6 | C7 | H1 | 119.8° | 120.0° |
| C7 | C6 | H2 | 119.8° | 119.8° |
| C13 | C14 | C15 | 123.2° | 119.3° |
| C13 | C14 | F46 | 119.2° | 120.3° |
| N27 | C33 | C32 | 110.1° | 108.9° |
| C33 | N27 | C28 | 117.9° | 111.8° |
| C33 | N27 | C19 | 121.5° | 111.0° |
| N27 | C33 | H16 | 109.3° | 109.6° |
| N27 | C33 | H17 | 109.3° | 109.6° |
| C33 | C32 | N34 | 108.7° | 106.9° |
| C33 | C32 | C31 | 111.2° | 107.7° |
| C32 | C33 | H16 | 109.3° | 109.4° |
| C32 | C33 | H17 | 109.3° | 109.7° |
| C33 | C32 | H23 | 111.4° | 112.2° |
| C28 | N27 | C19 | 118.2° | 110.7° |
| N27 | C28 | C29 | 110.6° | 109.0° |
| N27 | C28 | H14 | 109.2° | 109.6° |
| N27 | C28 | H15 | 109.2° | 109.6° |
| N27 | C19 | C20 | 124.7° | 120.8° |
| N27 | C19 | N18 | 113.8° | 120.8° |
| C32 | N34 | C29 | 102.7° | 103.0° |
| N34 | C32 | C31 | 101.8° | 104.0° |
| N34 | C32 | H23 | 111.8° | 113.0° |
| C32 | N34 | H29 | 111.1° | 111.0° |
| N34 | C29 | C28 | 106.4° | 107.0° |
| N34 | C29 | C30 | 102.2° | 104.0° |
| N34 | C29 | H22 | 111.9° | 113.0° |
| C29 | N34 | H29 | 111.1° | 111.0° |
| C19 | C20 | C15 | 115.9° | 118.2° |
| C20 | C19 | N18 | 121.5° | 118.4° |
| C20 | C15 | C14 | 118.9° | 119.5° |
| C20 | C15 | N16 | 122.3° | 118.8° |
| C32 | C31 | C30 | 105.9° | 104.7° |
| C32 | C31 | H8 | 110.4° | 110.4° |
| C32 | C31 | H9 | 110.4° | 110.5° |
| C31 | C32 | H23 | 111.6° | 112.4° |
| C28 | C29 | C30 | 113.1° | 107.6° |
| C29 | C28 | H14 | 109.2° | 109.6° |
| C29 | C28 | H15 | 109.2° | 109.5° |
| C28 | C29 | H22 | 111.3° | 112.3° |
| C15 | C14 | F46 | 117.6° | 120.4° |
| C14 | C15 | N16 | 118.8° | 121.7° |
| C19 | N18 | C17 | 117.8° | 121.5° |
| C15 | N16 | C17 | 116.4° | 120.4° |
| C29 | C30 | C31 | 104.9° | 104.8° |
| C29 | C30 | H6 | 110.6° | 110.4° |
| C29 | C30 | H7 | 110.6° | 110.4° |
| C30 | C29 | H22 | 111.5° | 112.4° |
| N18 | C17 | N16 | 125.9° | 122.8° |
| N18 | C17 | O35 | 120.7° | 118.6° |
| C31 | C30 | H6 | 110.6° | 110.4° |
| C31 | C30 | H7 | 110.6° | 110.4° |
| C30 | C31 | H8 | 110.3° | 110.4° |
| C30 | C31 | H9 | 110.3° | 110.4° |
| N16 | C17 | O35 | 113.4° | 118.6° |
| C17 | O35 | C36 | 115.8° | 117.0° |
| O35 | C36 | C37 | 104.8° | 109.5° |
| O35 | C36 | H25 | 110.6° | 109.5° |
| O35 | C36 | H26 | 110.6° | 109.5° |
| C36 | C37 | N41 | 109.2° | 111.4° |
| C36 | C37 | C38 | 109.2° | 110.7° |
| C36 | C37 | C45 | 112.6° | 110.7° |
| C37 | C36 | H25 | 110.6° | 109.4° |
| C37 | C36 | H26 | 110.6° | 109.5° |
| C40 | N41 | C37 | 106.3° | 108.4° |
| C40 | N41 | C42 | 116.0° | 109.4° |
| N41 | C40 | C39 | 105.0° | 105.1° |
| N41 | C40 | H18 | 110.6° | 110.3° |
| N41 | C40 | H19 | 110.6° | 110.4° |
| C37 | N41 | C42 | 108.2° | 108.4° |
| N41 | C37 | C38 | 106.1° | 107.2° |
| N41 | C37 | C45 | 104.2° | 107.3° |
| N41 | C42 | C43 | 104.5° | 105.1° |
| N41 | C42 | H20 | 110.7° | 110.3° |
| N41 | C42 | H21 | 110.7° | 110.4° |
| C40 | C39 | C38 | 104.4° | 101.7° |
| C40 | C39 | H4 | 110.7° | 110.9° |
| C40 | C39 | H5 | 110.7° | 111.1° |
| C39 | C40 | H18 | 110.6° | 110.4° |
| C39 | C40 | H19 | 110.6° | 110.3° |
| C39 | C38 | C37 | 104.1° | 102.9° |
| C38 | C39 | H4 | 110.7° | 111.0° |
| C38 | C39 | H5 | 110.7° | 111.0° |
| C39 | C38 | H10 | 110.8° | 110.8° |
| C39 | C38 | H11 | 110.8° | 110.7° |
| C38 | C37 | C45 | 115.1° | 109.3° |
| C37 | C38 | H10 | 110.8° | 110.7° |
| C37 | C38 | H11 | 110.8° | 110.8° |
| C37 | C45 | C43 | 106.9° | 102.9° |
| C37 | C45 | H12 | 110.1° | 110.7° |
| C37 | C45 | H13 | 110.1° | 110.9° |
| C42 | C43 | C45 | 104.5° | 101.7° |
| C42 | C43 | F44 | 108.9° | 111.0° |
| C43 | C42 | H20 | 110.7° | 110.3° |
| C43 | C42 | H21 | 110.7° | 110.3° |
| C42 | C43 | H24 | 110.4° | 111.0° |
| C45 | C43 | F44 | 109.8° | 111.0° |
| C43 | C45 | H12 | 110.1° | 110.7° |
| C43 | C45 | H13 | 110.1° | 110.7° |
| C45 | C43 | H24 | 110.4° | 111.0° |
| F44 | C43 | H24 | 112.6° | 110.9° |
| H4 | C39 | H5 | 109.5° | 110.9° |
| H6 | C30 | H7 | 109.5° | 110.3° |
| H8 | C31 | H9 | 109.4° | 110.3° |
| H10 | C38 | H11 | 109.5° | 110.7° |
| H12 | C45 | H13 | 109.5° | 110.7° |
| H14 | C28 | H15 | 109.5° | 109.6° |
| H16 | C33 | H17 | 109.5° | 109.7° |
| H18 | C40 | H19 | 109.4° | 110.3° |
| H20 | C42 | H21 | 109.4° | 110.3° |
| H25 | C36 | H26 | 109.5° | 109.4° |
| H27 | N1 | H28 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | S3 | C10 | 179.1° | 179.9° |
| N1 | C2 | S3 | C4 | 177.9° | 180.0° |
| N1 | C2 | C10 | C11 | 0.2° | 0.1° |
| N1 | C2 | C10 | C9 | 178.4° | 180.0° |
| C2 | N1 | H27 | H28 | 120.0° | 179.9° |
| F26 | C23 | F24 | F25 | 113.8° | 120.0° |
| F26 | C23 | F24 | C22 | 124.7° | 119.9° |
| F26 | C23 | F25 | C22 | 125.8° | 120.0° |
| F26 | C23 | C22 | C21 | 114.8° | 120.0° |
| F26 | C23 | C22 | C13 | 65.3° | 60.0° |
| S3 | C2 | C10 | C11 | 179.2° | 180.0° |
| S3 | C2 | C10 | C9 | 2.6° | 0.1° |
| C2 | S3 | C4 | C9 | 2.7° | 0.0° |
| C2 | S3 | C4 | C5 | 177.0° | 179.6° |
| S3 | C2 | N1 | H27 | 0.0° | 0.1° |
| S3 | C2 | N1 | H28 | 120.0° | 180.0° |
| C10 | C2 | S3 | C4 | 3.0° | 0.1° |
| C2 | C10 | C11 | C9 | 177.9° | 179.9° |
| C2 | C10 | C11 | N12 | 79.8° | 164.9° |
| C2 | C10 | C9 | C4 | 0.5° | 0.1° |
| C2 | C10 | C9 | C8 | 177.6° | 180.0° |
| C10 | C2 | N1 | H27 | 179.0° | 180.0° |
| C10 | C2 | N1 | H28 | 58.9° | 0.1° |
| S3 | C4 | C9 | C10 | 1.7° | 0.0° |
| S3 | C4 | C9 | C5 | 179.7° | 179.7° |
| S3 | C4 | C5 | F47 | 0.5° | 0.1° |
| S3 | C4 | C9 | C8 | 179.9° | 180.0° |
| S3 | C4 | C5 | C6 | 179.6° | 179.9° |
| F24 | C23 | F25 | C22 | 122.0° | 120.0° |
| F24 | C23 | C22 | C21 | 5.3° | 120.1° |
| F24 | C23 | C22 | C13 | 174.6° | 60.0° |
| C11 | C10 | C9 | C4 | 178.6° | 180.0° |
| C11 | C10 | C9 | C8 | 0.5° | 0.0° |
| C9 | C10 | C11 | N12 | 102.3° | 15.2° |
| C10 | C9 | C4 | C8 | 178.3° | 180.0° |
| C10 | C9 | C4 | C5 | 178.0° | 179.7° |
| C10 | C9 | C8 | C13 | 2.4° | 0.1° |
| C10 | C9 | C8 | C7 | 178.8° | 180.0° |
| F25 | C23 | C22 | C21 | 122.7° | 0.0° |
| F25 | C23 | C22 | C13 | 57.2° | 180.0° |
| C23 | C22 | C21 | C13 | 179.9° | 180.0° |
| C23 | C22 | C13 | C8 | 3.2° | 0.3° |
| C23 | C22 | C21 | C20 | 178.4° | 180.0° |
| C23 | C22 | C13 | C14 | 179.8° | 179.4° |
| C23 | C22 | C21 | H3 | 1.6° | 0.3° |
| C9 | C4 | C5 | F47 | 179.1° | 179.7° |
| C9 | C4 | C5 | C6 | 0.7° | 0.3° |
| C4 | C9 | C8 | C13 | 179.6° | 180.0° |
| C4 | C9 | C8 | C7 | 0.9° | 0.1° |
| C4 | C5 | F47 | C6 | 179.8° | 180.0° |
| C5 | C4 | C9 | C8 | 0.4° | 0.3° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C4 | C5 | C6 | H2 | 179.8° | 180.0° |
| F47 | C5 | C6 | C7 | 180.0° | 180.0° |
| F47 | C5 | C6 | H2 | 0.0° | 0.0° |
| C9 | C8 | C13 | C22 | 88.1° | 89.1° |
| C9 | C8 | C13 | C7 | 178.8° | 179.9° |
| C9 | C8 | C7 | C6 | 1.7° | 0.2° |
| C9 | C8 | C13 | C14 | 88.9° | 90.0° |
| C9 | C8 | C7 | H1 | 178.3° | 180.0° |
| C5 | C6 | C7 | C8 | 1.4° | 0.3° |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | H1 | 178.6° | 180.0° |
| C21 | C22 | C13 | C8 | 176.9° | 179.7° |
| C22 | C21 | C20 | H3 | 180.0° | 179.7° |
| C21 | C22 | C13 | C14 | 0.2° | 0.5° |
| C22 | C21 | C20 | C19 | 178.9° | 179.7° |
| C22 | C21 | C20 | C15 | 2.1° | 0.3° |
| C22 | C13 | C8 | C14 | 177.0° | 179.2° |
| C22 | C13 | C8 | C7 | 93.1° | 90.8° |
| C13 | C22 | C21 | C20 | 1.6° | 0.1° |
| C22 | C13 | C14 | C15 | 0.7° | 0.8° |
| C22 | C13 | C14 | F46 | 177.3° | 180.0° |
| C13 | C22 | C21 | H3 | 178.4° | 179.7° |
| C13 | C8 | C7 | C6 | 179.5° | 179.7° |
| C8 | C13 | C14 | C15 | 177.9° | 180.0° |
| C8 | C13 | C14 | F46 | 0.0° | 0.9° |
| C13 | C8 | C7 | H1 | 0.5° | 0.0° |
| C8 | C7 | C6 | H1 | 180.0° | 179.7° |
| C7 | C8 | C13 | C14 | 89.9° | 90.0° |
| C8 | C7 | C6 | H2 | 178.6° | 179.7° |
| C21 | C20 | C19 | N27 | 1.3° | 0.0° |
| C21 | C20 | C19 | C15 | 179.1° | 180.0° |
| C21 | C20 | C15 | C14 | 1.2° | 0.0° |
| C21 | C20 | C19 | N18 | 178.6° | 179.9° |
| C21 | C20 | C15 | N16 | 177.7° | 179.9° |
| C13 | C14 | C15 | C20 | 0.2° | 0.6° |
| C13 | C14 | C15 | F46 | 178.0° | 179.1° |
| C13 | C14 | C15 | N16 | 179.1° | 179.5° |
| N27 | C33 | C32 | H16 | 120.1° | 119.7° |
| N27 | C33 | C32 | H17 | 120.1° | 119.9° |
| C33 | N27 | C28 | C19 | 162.8° | 124.4° |
| N27 | C33 | C32 | N34 | 55.6° | 63.4° |
| C33 | N27 | C19 | C20 | 39.6° | 118.1° |
| N27 | C33 | C32 | C31 | 55.6° | 47.8° |
| C33 | N27 | C28 | C29 | 43.6° | 55.2° |
| C33 | N27 | C19 | N18 | 143.0° | 61.8° |
| C33 | N27 | C28 | H14 | 76.5° | 175.0° |
| C33 | N27 | C28 | H15 | 163.8° | 64.7° |
| N27 | C33 | H16 | H17 | 119.7° | 120.3° |
| N27 | C33 | C32 | H23 | 179.3° | 172.1° |
| C32 | C33 | N27 | C28 | 41.6° | 55.1° |
| C32 | C33 | N27 | C19 | 120.6° | 69.1° |
| C33 | C32 | N34 | C31 | 117.4° | 113.7° |
| C33 | C32 | N34 | H23 | 123.4° | 124.0° |
| C33 | C32 | N34 | C29 | 72.4° | 71.0° |
| C33 | C32 | C31 | H23 | 125.0° | 124.1° |
| C33 | C32 | C31 | C30 | 89.0° | 87.3° |
| C33 | C32 | C31 | H8 | 30.4° | 153.9° |
| C33 | C32 | C31 | H9 | 151.5° | 31.6° |
| C32 | C33 | H16 | H17 | 119.7° | 120.3° |
| C33 | C32 | N34 | H29 | 168.7° | 170.2° |
| N27 | C28 | C29 | N34 | 58.6° | 63.6° |
| C28 | N27 | C19 | C20 | 158.2° | 117.0° |
| N27 | C28 | C29 | H14 | 120.2° | 119.9° |
| N27 | C28 | C29 | H15 | 120.2° | 119.9° |
| C28 | N27 | C19 | N18 | 19.2° | 63.0° |
| N27 | C28 | C29 | C30 | 52.8° | 47.6° |
| N27 | C28 | H14 | H15 | 119.5° | 120.3° |
| C28 | N27 | C33 | H16 | 161.7° | 64.5° |
| C28 | N27 | C33 | H17 | 78.5° | 175.1° |
| N27 | C28 | C29 | H22 | 179.2° | 171.9° |
| N27 | C19 | C20 | N18 | 177.2° | 180.0° |
| N27 | C19 | C20 | C15 | 177.7° | 180.0° |
| C19 | N27 | C28 | C29 | 119.2° | 69.2° |
| N27 | C19 | N18 | C17 | 177.3° | 180.0° |
| C19 | N27 | C28 | H14 | 120.7° | 50.7° |
| C19 | N27 | C28 | H15 | 1.0° | 170.9° |
| C19 | N27 | C33 | H16 | 0.5° | 171.3° |
| C19 | N27 | C33 | H17 | 119.3° | 50.9° |
| C32 | N34 | C29 | H29 | 118.9° | 118.8° |
| N34 | C32 | C31 | H23 | 119.4° | 122.6° |
| C32 | N34 | C29 | C28 | 72.9° | 71.0° |
| C32 | N34 | C29 | C30 | 45.9° | 42.6° |
| N34 | C32 | C31 | C30 | 26.6° | 25.9° |
| N34 | C32 | C31 | H8 | 146.0° | 92.9° |
| N34 | C32 | C31 | H9 | 92.9° | 144.8° |
| N34 | C32 | C33 | H16 | 175.7° | 56.3° |
| N34 | C32 | C33 | H17 | 64.5° | 176.6° |
| C32 | N34 | C29 | H22 | 165.3° | 164.8° |
| C29 | N34 | C32 | C31 | 45.0° | 42.7° |
| N34 | C29 | C28 | C30 | 111.4° | 111.2° |
| N34 | C29 | C28 | H22 | 122.2° | 124.6° |
| N34 | C29 | C30 | H22 | 119.7° | 122.6° |
| N34 | C29 | C30 | C31 | 28.5° | 25.8° |
| N34 | C29 | C30 | H6 | 90.8° | 144.8° |
| N34 | C29 | C30 | H7 | 147.7° | 93.0° |
| N34 | C29 | C28 | H14 | 61.5° | 176.6° |
| N34 | C29 | C28 | H15 | 178.8° | 56.3° |
| C29 | N34 | C32 | H23 | 164.3° | 165.0° |
| C19 | C20 | C15 | C14 | 179.7° | 180.0° |
| C19 | C20 | C15 | N16 | 1.4° | 0.0° |
| C20 | C19 | N18 | C17 | 0.2° | 0.0° |
| C19 | C20 | C21 | H3 | 1.1° | 0.0° |
| C20 | C15 | C14 | N16 | 178.9° | 179.9° |
| C20 | C15 | C14 | F46 | 177.8° | 179.7° |
| C15 | C20 | C19 | N18 | 0.5° | 0.0° |
| C20 | C15 | N16 | C17 | 1.6° | 0.0° |
| C15 | C20 | C21 | H3 | 177.9° | 180.0° |
| C32 | C31 | C30 | C29 | 1.0° | 0.1° |
| C32 | C31 | C30 | H8 | 119.5° | 118.8° |
| C32 | C31 | C30 | H9 | 119.5° | 118.9° |
| C32 | C31 | C30 | H6 | 118.3° | 118.8° |
| C32 | C31 | C30 | H7 | 120.3° | 118.9° |
| C32 | C31 | H8 | H9 | 121.7° | 122.4° |
| C31 | C32 | C33 | H16 | 64.5° | 167.6° |
| C31 | C32 | C33 | H17 | 175.7° | 72.1° |
| C31 | C32 | N34 | H29 | 73.9° | 76.1° |
| C28 | C29 | C30 | H22 | 126.3° | 124.2° |
| C28 | C29 | C30 | C31 | 85.5° | 87.4° |
| C28 | C29 | C30 | H6 | 155.2° | 31.5° |
| C28 | C29 | C30 | H7 | 33.7° | 153.8° |
| C29 | C28 | H14 | H15 | 119.5° | 120.2° |
| C28 | C29 | N34 | H29 | 168.2° | 170.2° |
| C14 | C15 | N16 | C17 | 179.5° | 180.0° |
| F46 | C14 | C15 | N16 | 1.1° | 0.4° |
| C19 | N18 | C17 | N16 | 0.0° | 0.0° |
| C19 | N18 | C17 | O35 | 178.1° | 179.9° |
| C15 | N16 | C17 | N18 | 0.8° | 0.1° |
| C15 | N16 | C17 | O35 | 177.3° | 179.9° |
| C29 | C30 | C31 | H6 | 119.3° | 118.9° |
| C29 | C30 | C31 | H7 | 119.3° | 118.8° |
| C29 | C30 | H6 | H7 | 122.1° | 122.2° |
| C29 | C30 | C31 | H8 | 118.4° | 118.7° |
| C29 | C30 | C31 | H9 | 120.5° | 119.0° |
| C30 | C29 | C28 | H14 | 172.9° | 72.2° |
| C30 | C29 | C28 | H15 | 67.4° | 167.6° |
| C30 | C29 | N34 | H29 | 73.0° | 76.2° |
| N18 | C17 | N16 | O35 | 178.2° | 180.0° |
| N18 | C17 | O35 | C36 | 7.4° | 180.0° |
| C31 | C30 | H6 | H7 | 122.0° | 122.3° |
| C30 | C31 | H8 | H9 | 121.6° | 122.2° |
| C31 | C30 | C29 | H22 | 148.2° | 148.4° |
| C30 | C31 | C32 | H23 | 146.0° | 148.6° |
| N16 | C17 | O35 | C36 | 170.9° | 0.0° |
| C17 | O35 | C36 | C37 | 179.4° | 180.0° |
| C17 | O35 | C36 | H25 | 60.2° | 60.0° |
| C17 | O35 | C36 | H26 | 61.4° | 60.0° |
| O35 | C36 | C37 | H25 | 119.2° | 120.0° |
| O35 | C36 | C37 | H26 | 119.2° | 120.1° |
| O35 | C36 | C37 | N41 | 60.3° | 179.7° |
| O35 | C36 | C37 | C38 | 175.9° | 61.0° |
| O35 | C36 | C37 | C45 | 54.9° | 60.4° |
| O35 | C36 | H25 | H26 | 122.2° | 120.0° |
| C36 | C37 | N41 | C40 | 118.1° | 120.7° |
| C36 | C37 | N41 | C38 | 117.6° | 121.3° |
| C36 | C37 | N41 | C45 | 120.5° | 121.3° |
| C36 | C37 | N41 | C42 | 116.7° | 120.7° |
| C36 | C37 | C38 | C39 | 95.9° | 98.2° |
| C36 | C37 | C38 | C45 | 127.8° | 122.3° |
| C36 | C37 | C45 | C43 | 135.6° | 98.2° |
| C36 | C37 | C38 | H10 | 23.3° | 20.2° |
| C36 | C37 | C38 | H11 | 145.0° | 143.4° |
| C36 | C37 | C45 | H12 | 15.9° | 143.5° |
| C36 | C37 | C45 | H13 | 104.8° | 20.2° |
| C37 | C36 | H25 | H26 | 122.2° | 120.0° |
| C40 | N41 | C37 | C42 | 125.3° | 118.6° |
| N41 | C40 | C39 | H18 | 119.3° | 118.9° |
| N41 | C40 | C39 | H19 | 119.3° | 119.0° |
| N41 | C40 | C39 | C38 | 36.7° | 36.7° |
| C40 | N41 | C37 | C38 | 0.5° | 0.6° |
| C40 | N41 | C37 | C45 | 121.4° | 118.0° |
| C40 | N41 | C42 | C43 | 95.7° | 140.8° |
| N41 | C40 | C39 | H4 | 82.5° | 154.8° |
| N41 | C40 | C39 | H5 | 155.8° | 81.4° |
| N41 | C40 | H18 | H19 | 122.1° | 122.2° |
| C40 | N41 | C42 | H20 | 23.5° | 100.3° |
| C40 | N41 | C42 | H21 | 145.1° | 21.9° |
| C37 | N41 | C40 | C39 | 22.7° | 22.8° |
| N41 | C37 | C38 | C39 | 21.7° | 23.6° |
| N41 | C37 | C38 | C45 | 114.6° | 116.0° |
| C37 | N41 | C42 | C43 | 23.6° | 22.8° |
| N41 | C37 | C45 | C43 | 17.4° | 23.6° |
| N41 | C37 | C38 | H10 | 140.8° | 141.9° |
| N41 | C37 | C38 | H11 | 97.4° | 94.8° |
| N41 | C37 | C45 | H12 | 102.2° | 94.7° |
| N41 | C37 | C45 | H13 | 137.0° | 142.0° |
| C37 | N41 | C40 | H18 | 142.1° | 96.1° |
| C37 | N41 | C40 | H19 | 96.6° | 141.8° |
| C37 | N41 | C42 | H20 | 142.8° | 141.7° |
| C37 | N41 | C42 | H21 | 95.7° | 96.1° |
| N41 | C37 | C36 | H25 | 179.5° | 59.7° |
| N41 | C37 | C36 | H26 | 59.0° | 60.2° |
| C42 | N41 | C40 | C39 | 143.0° | 140.8° |
| C42 | N41 | C37 | C38 | 125.7° | 118.0° |
| C42 | N41 | C37 | C45 | 3.8° | 0.6° |
| N41 | C42 | C43 | H20 | 119.2° | 118.9° |
| N41 | C42 | C43 | H21 | 119.2° | 119.0° |
| N41 | C42 | C43 | C45 | 34.0° | 36.7° |
| N41 | C42 | C43 | F44 | 83.3° | 154.7° |
| C42 | N41 | C40 | H18 | 97.7° | 21.9° |
| C42 | N41 | C40 | H19 | 23.7° | 100.3° |
| N41 | C42 | H20 | H21 | 122.3° | 122.3° |
| N41 | C42 | C43 | H24 | 152.6° | 81.4° |
| C40 | C39 | C38 | H4 | 119.2° | 118.0° |
| C40 | C39 | C38 | H5 | 119.2° | 118.2° |
| C40 | C39 | C38 | C37 | 36.0° | 36.2° |
| C40 | C39 | H4 | H5 | 122.3° | 123.9° |
| C40 | C39 | C38 | H10 | 155.2° | 154.5° |
| C40 | C39 | C38 | H11 | 83.1° | 82.3° |
| C39 | C40 | H18 | H19 | 122.1° | 122.1° |
| C39 | C38 | C37 | H10 | 119.1° | 118.4° |
| C39 | C38 | C37 | H11 | 119.1° | 118.4° |
| C39 | C38 | C37 | C45 | 136.3° | 139.6° |
| C38 | C39 | H4 | H5 | 122.3° | 123.9° |
| C39 | C38 | H10 | H11 | 122.5° | 123.2° |
| C38 | C39 | C40 | H18 | 156.0° | 82.2° |
| C38 | C39 | C40 | H19 | 82.6° | 155.7° |
| C38 | C37 | C45 | C43 | 98.4° | 139.6° |
| C37 | C38 | C39 | H4 | 83.2° | 154.2° |
| C37 | C38 | C39 | H5 | 155.2° | 82.0° |
| C37 | C38 | H10 | H11 | 122.5° | 123.3° |
| C38 | C37 | C45 | H12 | 142.0° | 21.3° |
| C38 | C37 | C45 | H13 | 21.2° | 102.0° |
| C38 | C37 | C36 | H25 | 64.9° | 179.0° |
| C38 | C37 | C36 | H26 | 56.6° | 59.0° |
| C37 | C45 | C43 | C42 | 32.3° | 36.2° |
| C37 | C45 | C43 | H12 | 119.6° | 118.3° |
| C37 | C45 | C43 | H13 | 119.6° | 118.5° |
| C37 | C45 | C43 | F44 | 84.3° | 154.2° |
| C45 | C37 | C38 | H10 | 104.5° | 102.0° |
| C45 | C37 | C38 | H11 | 17.2° | 21.2° |
| C37 | C45 | H12 | H13 | 121.2° | 123.4° |
| C37 | C45 | C43 | H24 | 151.0° | 82.0° |
| C45 | C37 | C36 | H25 | 64.3° | 59.6° |
| C45 | C37 | C36 | H26 | 174.2° | 179.5° |
| C42 | C43 | C45 | F44 | 116.6° | 118.1° |
| C42 | C43 | C45 | H24 | 118.7° | 118.1° |
| C42 | C43 | F44 | H24 | 122.8° | 123.9° |
| C42 | C43 | C45 | H12 | 87.2° | 82.1° |
| C42 | C43 | C45 | H13 | 151.9° | 154.7° |
| C43 | C42 | H20 | H21 | 122.3° | 122.1° |
| C45 | C43 | F44 | H24 | 123.4° | 123.8° |
| C43 | C45 | H12 | H13 | 121.2° | 123.2° |
| C45 | C43 | C42 | H20 | 153.2° | 155.6° |
| C45 | C43 | C42 | H21 | 85.2° | 82.3° |
| F44 | C43 | C45 | H12 | 156.1° | 36.0° |
| F44 | C43 | C45 | H13 | 35.3° | 87.2° |
| F44 | C43 | C42 | H20 | 35.9° | 86.4° |
| F44 | C43 | C42 | H21 | 157.5° | 35.7° |
| H1 | C7 | C6 | H2 | 1.4° | 0.0° |
| H4 | C39 | C38 | H10 | 36.0° | 87.4° |
| H4 | C39 | C38 | H11 | 157.7° | 35.8° |
| H4 | C39 | C40 | H18 | 36.8° | 35.9° |
| H4 | C39 | C40 | H19 | 158.2° | 86.2° |
| H5 | C39 | C38 | H10 | 85.6° | 36.3° |
| H5 | C39 | C38 | H11 | 36.1° | 159.5° |
| H5 | C39 | C40 | H18 | 84.8° | 159.6° |
| H5 | C39 | C40 | H19 | 36.5° | 37.5° |
| H6 | C30 | C31 | H8 | 122.2° | 122.4° |
| H6 | C30 | C31 | H9 | 1.2° | 0.1° |
| H6 | C30 | C29 | H22 | 28.9° | 92.7° |
| H7 | C30 | C31 | H8 | 0.8° | 0.1° |
| H7 | C30 | C31 | H9 | 120.2° | 122.1° |
| H7 | C30 | C29 | H22 | 92.6° | 29.6° |
| H8 | C31 | C32 | H23 | 94.6° | 29.7° |
| H9 | C31 | C32 | H23 | 26.5° | 92.6° |
| H12 | C45 | C43 | H24 | 31.5° | 159.7° |
| H13 | C45 | C43 | H24 | 89.4° | 36.6° |
| H14 | C28 | C29 | H22 | 60.7° | 52.0° |
| H15 | C28 | C29 | H22 | 59.0° | 68.2° |
| H16 | C33 | C32 | H23 | 60.6° | 68.2° |
| H17 | C33 | C32 | H23 | 59.2° | 52.2° |
| H20 | C42 | C43 | H24 | 88.1° | 37.5° |
| H21 | C42 | C43 | H24 | 33.4° | 159.6° |
| H22 | C29 | N34 | H29 | 46.4° | 46.0° |
| H23 | C32 | N34 | H29 | 45.3° | 46.2° |
