9VI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F52 | C50 | sing | 1.40Å | 1.35Å | |
| C48 | C49 | doub | 1.33Å | 1.52Å | |
| C48 | C47 | sing | 1.50Å | 1.53Å | |
| C49 | C44 | sing | 1.48Å | 1.53Å | |
| F53 | C50 | sing | 1.40Å | 1.36Å | |
| C50 | C43 | sing | 1.51Å | 1.54Å | |
| C50 | F51 | sing | 1.40Å | 1.34Å | |
| C44 | C43 | sing | 1.39Å | 1.42Å | Aromatic |
| C44 | C45 | doub | 1.38Å | 1.37Å | Aromatic |
| C47 | C46 | sing | 1.53Å | 1.55Å | |
| C43 | N42 | doub | 1.31Å | 1.35Å | Aromatic |
| C46 | C45 | sing | 1.51Å | 1.56Å | |
| C45 | N41 | sing | 1.33Å | 1.35Å | Aromatic |
| N42 | N41 | sing | 1.40Å | 1.35Å | Aromatic |
| F32 | C31 | sing | 1.35Å | 1.35Å | |
| N41 | C40 | sing | 1.46Å | 1.49Å | |
| C31 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.37Å | Aromatic |
| C40 | C38 | sing | 1.51Å | 1.55Å | |
| C33 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | O39 | doub | 1.21Å | 1.17Å | |
| C38 | N37 | sing | 1.35Å | 1.46Å | |
| C34 | F35 | sing | 1.35Å | 1.36Å | |
| C34 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| N37 | C27 | sing | 1.46Å | 1.46Å | |
| C29 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.52Å | |
| O08 | S06 | doub | 1.42Å | 1.46Å | |
| O09 | S06 | doub | 1.42Å | 1.44Å | |
| C27 | C28 | sing | 1.53Å | 1.49Å | |
| C27 | C26 | sing | 1.51Å | 1.52Å | |
| S06 | N05 | sing | 1.66Å | 1.69Å | |
| S06 | C07 | sing | 1.81Å | 1.82Å | |
| N05 | C04 | sing | 1.40Å | 1.47Å | |
| N03 | C04 | doub | 1.31Å | 1.33Å | Aromatic |
| N03 | N02 | sing | 1.40Å | 1.35Å | Aromatic |
| C04 | C10 | sing | 1.46Å | 1.43Å | Aromatic |
| C26 | N25 | doub | 1.30Å | 1.45Å | |
| C26 | N16 | sing | 1.36Å | 1.44Å | |
| C01 | N02 | sing | 1.46Å | 1.47Å | |
| N25 | C24 | sing | 1.36Å | 1.49Å | |
| N02 | C54 | sing | 1.37Å | 1.37Å | Aromatic |
| C10 | C54 | doub | 1.41Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C54 | C15 | sing | 1.40Å | 1.45Å | Aromatic |
| CL12 | C11 | sing | 1.74Å | 1.77Å | |
| C11 | C13 | doub | 1.37Å | 1.40Å | Aromatic |
| C15 | N16 | sing | 1.40Å | 1.49Å | |
| C15 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| N16 | C17 | sing | 1.35Å | 1.42Å | |
| C13 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C24 | N23 | doub | 1.33Å | 1.35Å | Aromatic |
| C24 | C19 | sing | 1.41Å | 1.37Å | Aromatic |
| N23 | C22 | sing | 1.32Å | 1.32Å | Aromatic |
| C17 | C19 | sing | 1.47Å | 1.53Å | |
| C17 | O18 | doub | 1.22Å | 1.15Å | |
| C19 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.08Å | 1.08Å | |
| C33 | H16 | sing | 1.08Å | 1.08Å | |
| C36 | H17 | sing | 1.08Å | 1.08Å | |
| C40 | H18 | sing | 1.09Å | 1.10Å | |
| C40 | H19 | sing | 1.09Å | 1.10Å | |
| C46 | H20 | sing | 1.09Å | 1.10Å | |
| C46 | H21 | sing | 1.09Å | 1.10Å | |
| C47 | H22 | sing | 1.09Å | 1.10Å | |
| C47 | H23 | sing | 1.09Å | 1.10Å | |
| C48 | H24 | sing | 1.08Å | 1.08Å | |
| C49 | H25 | sing | 1.08Å | 1.08Å | |
| N05 | H26 | sing | 0.97Å | 1.00Å | |
| N37 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F52 | C50 | F53 | 109.4° | 109.4° |
| F52 | C50 | C43 | 110.2° | 109.4° |
| F52 | C50 | F51 | 109.8° | 109.5° |
| C49 | C48 | C47 | 116.0° | 122.7° |
| C48 | C49 | C44 | 116.5° | 117.0° |
| C49 | C48 | H24 | 122.0° | 118.6° |
| C48 | C49 | H25 | 121.8° | 121.5° |
| C48 | C47 | C46 | 113.8° | 112.7° |
| C48 | C47 | H22 | 108.3° | 108.8° |
| C48 | C47 | H23 | 108.4° | 108.7° |
| C47 | C48 | H24 | 122.0° | 118.6° |
| C49 | C44 | C43 | 129.8° | 131.4° |
| C49 | C44 | C45 | 123.1° | 120.8° |
| C44 | C49 | H25 | 121.8° | 121.5° |
| F53 | C50 | C43 | 108.2° | 109.5° |
| F53 | C50 | F51 | 109.6° | 109.5° |
| C43 | C50 | F51 | 109.6° | 109.5° |
| C50 | C43 | C44 | 127.9° | 126.1° |
| C50 | C43 | N42 | 124.4° | 126.1° |
| C43 | C44 | C45 | 107.1° | 107.8° |
| C44 | C43 | N42 | 107.7° | 107.8° |
| C44 | C45 | C46 | 120.2° | 121.3° |
| C44 | C45 | N41 | 106.7° | 107.6° |
| C47 | C46 | C45 | 109.9° | 108.8° |
| C47 | C46 | H20 | 109.4° | 109.6° |
| C47 | C46 | H21 | 109.4° | 109.7° |
| C46 | C47 | H22 | 108.4° | 108.8° |
| C46 | C47 | H23 | 108.4° | 108.9° |
| C43 | N42 | N41 | 107.1° | 108.7° |
| C46 | C45 | N41 | 133.1° | 131.1° |
| C45 | C46 | H20 | 109.4° | 109.6° |
| C45 | C46 | H21 | 109.4° | 109.6° |
| C45 | N41 | N42 | 111.4° | 108.1° |
| C45 | N41 | C40 | 126.6° | 126.0° |
| N42 | N41 | C40 | 122.0° | 125.9° |
| F32 | C31 | C33 | 121.6° | 120.0° |
| F32 | C31 | C30 | 118.9° | 120.0° |
| N41 | C40 | C38 | 110.7° | 109.5° |
| N41 | C40 | H18 | 109.2° | 109.5° |
| N41 | C40 | H19 | 109.2° | 109.5° |
| C33 | C31 | C30 | 119.5° | 120.0° |
| C31 | C33 | C34 | 119.7° | 120.0° |
| C31 | C33 | H16 | 120.1° | 120.0° |
| C31 | C30 | C29 | 120.7° | 120.0° |
| C31 | C30 | H15 | 119.6° | 120.0° |
| C40 | C38 | O39 | 122.2° | 120.0° |
| C40 | C38 | N37 | 118.0° | 120.1° |
| C38 | C40 | H18 | 109.2° | 109.4° |
| C38 | C40 | H19 | 109.2° | 109.4° |
| C33 | C34 | F35 | 119.6° | 120.0° |
| C33 | C34 | C36 | 121.1° | 120.0° |
| C34 | C33 | H16 | 120.2° | 120.0° |
| C30 | C29 | C36 | 120.3° | 120.0° |
| C30 | C29 | C28 | 119.2° | 120.0° |
| C29 | C30 | H15 | 119.6° | 120.0° |
| O39 | C38 | N37 | 119.8° | 120.0° |
| C38 | N37 | C27 | 123.0° | 120.0° |
| C38 | N37 | H27 | 118.5° | 120.0° |
| F35 | C34 | C36 | 119.4° | 120.0° |
| C34 | C36 | C29 | 118.7° | 120.1° |
| C34 | C36 | H17 | 120.6° | 120.0° |
| N37 | C27 | C28 | 109.6° | 109.4° |
| N37 | C27 | C26 | 106.9° | 109.5° |
| N37 | C27 | H14 | 110.8° | 109.5° |
| C27 | N37 | H27 | 118.5° | 120.0° |
| C36 | C29 | C28 | 120.5° | 120.0° |
| C29 | C36 | H17 | 120.6° | 119.9° |
| C29 | C28 | C27 | 112.0° | 109.5° |
| C29 | C28 | H5 | 108.8° | 109.5° |
| C29 | C28 | H6 | 108.8° | 109.5° |
| O08 | S06 | O09 | 102.1° | 121.1° |
| O08 | S06 | N05 | 110.7° | 104.2° |
| O08 | S06 | C07 | 111.1° | 110.5° |
| O09 | S06 | N05 | 109.4° | 104.3° |
| O09 | S06 | C07 | 111.2° | 110.6° |
| C28 | C27 | C26 | 109.4° | 109.5° |
| C27 | C28 | H5 | 108.8° | 109.5° |
| C27 | C28 | H6 | 108.8° | 109.4° |
| C28 | C27 | H14 | 110.3° | 109.5° |
| C27 | C26 | N25 | 120.5° | 118.3° |
| C27 | C26 | N16 | 119.6° | 118.2° |
| C26 | C27 | H14 | 109.9° | 109.5° |
| N05 | S06 | C07 | 111.9° | 104.4° |
| S06 | N05 | C04 | 119.5° | 120.0° |
| S06 | N05 | H26 | 106.9° | 120.0° |
| S06 | C07 | H10 | 109.5° | 109.4° |
| S06 | C07 | H11 | 109.5° | 109.5° |
| S06 | C07 | H12 | 109.5° | 109.5° |
| N05 | C04 | N03 | 127.8° | 126.2° |
| N05 | C04 | C10 | 123.4° | 126.2° |
| C04 | N05 | H26 | 106.9° | 120.0° |
| C04 | N03 | N02 | 108.2° | 110.0° |
| N03 | C04 | C10 | 108.8° | 107.7° |
| N03 | N02 | C01 | 120.5° | 125.4° |
| N03 | N02 | C54 | 110.8° | 109.1° |
| C04 | C10 | C54 | 105.8° | 106.2° |
| C04 | C10 | C11 | 131.7° | 134.0° |
| N25 | C26 | N16 | 119.9° | 123.5° |
| C26 | N25 | C24 | 121.6° | 121.7° |
| C26 | N16 | C15 | 119.7° | 119.7° |
| C26 | N16 | C17 | 118.7° | 120.5° |
| C01 | N02 | C54 | 128.6° | 125.4° |
| N02 | C01 | H7 | 109.5° | 109.5° |
| N02 | C01 | H8 | 109.4° | 109.5° |
| N02 | C01 | H9 | 109.5° | 109.5° |
| N25 | C24 | N23 | 120.1° | 121.5° |
| N25 | C24 | C19 | 118.9° | 118.7° |
| N02 | C54 | C10 | 106.3° | 106.9° |
| N02 | C54 | C15 | 136.3° | 133.7° |
| C54 | C10 | C11 | 122.5° | 119.8° |
| C10 | C54 | C15 | 117.4° | 119.4° |
| C10 | C11 | CL12 | 117.8° | 120.0° |
| C10 | C11 | C13 | 120.1° | 119.9° |
| C54 | C15 | N16 | 119.0° | 120.2° |
| C54 | C15 | C14 | 120.2° | 119.6° |
| CL12 | C11 | C13 | 122.1° | 120.1° |
| C11 | C13 | C14 | 118.7° | 120.7° |
| C11 | C13 | H1 | 120.7° | 119.6° |
| N16 | C15 | C14 | 120.9° | 120.2° |
| C15 | N16 | C17 | 121.5° | 119.8° |
| C15 | C14 | C13 | 121.1° | 120.6° |
| C15 | C14 | H13 | 119.4° | 119.8° |
| N16 | C17 | C19 | 121.6° | 117.4° |
| N16 | C17 | O18 | 118.2° | 121.3° |
| C14 | C13 | H1 | 120.7° | 119.7° |
| C13 | C14 | H13 | 119.5° | 119.7° |
| N23 | C24 | C19 | 121.0° | 119.8° |
| C24 | N23 | C22 | 121.4° | 121.5° |
| C24 | C19 | C17 | 119.3° | 118.2° |
| C24 | C19 | C20 | 119.7° | 119.6° |
| N23 | C22 | C21 | 121.0° | 121.7° |
| N23 | C22 | H4 | 119.5° | 119.1° |
| C19 | C17 | O18 | 120.2° | 121.3° |
| C17 | C19 | C20 | 121.0° | 122.2° |
| C19 | C20 | C21 | 117.9° | 117.9° |
| C19 | C20 | H2 | 121.1° | 121.0° |
| C22 | C21 | C20 | 119.0° | 119.6° |
| C22 | C21 | H3 | 120.5° | 120.3° |
| C21 | C22 | H4 | 119.5° | 119.1° |
| C21 | C20 | H2 | 121.1° | 121.1° |
| C20 | C21 | H3 | 120.5° | 120.2° |
| H5 | C28 | H6 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.4° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.4° |
| H10 | C07 | H11 | 109.5° | 109.5° |
| H10 | C07 | H12 | 109.5° | 109.4° |
| H11 | C07 | H12 | 109.5° | 109.5° |
| H18 | C40 | H19 | 109.5° | 109.5° |
| H20 | C46 | H21 | 109.5° | 109.6° |
| H22 | C47 | H23 | 109.5° | 108.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F52 | C50 | F53 | C43 | 120.1° | 119.9° |
| F52 | C50 | F53 | F51 | 120.5° | 120.0° |
| F52 | C50 | C43 | F51 | 120.9° | 120.0° |
| F52 | C50 | C43 | C44 | 5.9° | 55.3° |
| F52 | C50 | C43 | N42 | 173.7° | 125.1° |
| C49 | C48 | C47 | H24 | 180.0° | 180.0° |
| C48 | C49 | C44 | H25 | 180.0° | 179.9° |
| C48 | C49 | C44 | C43 | 168.0° | 163.4° |
| C48 | C49 | C44 | C45 | 12.8° | 16.7° |
| C49 | C48 | C47 | C46 | 42.4° | 33.9° |
| C49 | C48 | C47 | H22 | 78.2° | 154.8° |
| C49 | C48 | C47 | H23 | 163.1° | 86.9° |
| C47 | C48 | C49 | C44 | 9.5° | 1.7° |
| C48 | C47 | C46 | H22 | 120.6° | 120.8° |
| C48 | C47 | C46 | H23 | 120.6° | 120.7° |
| C48 | C47 | C46 | C45 | 52.1° | 45.3° |
| C48 | C47 | C46 | H20 | 172.1° | 74.5° |
| C48 | C47 | C46 | H21 | 68.0° | 165.1° |
| C48 | C47 | H22 | H23 | 118.0° | 118.3° |
| C47 | C48 | C49 | H25 | 170.5° | 178.4° |
| C49 | C44 | C43 | C50 | 0.1° | 0.4° |
| C49 | C44 | C43 | C45 | 179.4° | 179.9° |
| C49 | C44 | C43 | N42 | 179.8° | 179.9° |
| C49 | C44 | C45 | C46 | 0.9° | 0.3° |
| C49 | C44 | C45 | N41 | 180.0° | 179.8° |
| C44 | C49 | C48 | H24 | 170.5° | 178.3° |
| F53 | C50 | C43 | F51 | 119.5° | 120.1° |
| F53 | C50 | C43 | C44 | 125.6° | 64.6° |
| F53 | C50 | C43 | N42 | 54.1° | 115.0° |
| C50 | C43 | C44 | N42 | 179.7° | 179.7° |
| C50 | C43 | C44 | C45 | 179.3° | 179.6° |
| C50 | C43 | N42 | N41 | 179.6° | 179.7° |
| F51 | C50 | C43 | C44 | 115.0° | 175.3° |
| F51 | C50 | C43 | N42 | 65.4° | 5.1° |
| C43 | C44 | C45 | C46 | 179.7° | 179.8° |
| C43 | C44 | C45 | N41 | 0.6° | 0.1° |
| C44 | C43 | N42 | N41 | 0.1° | 0.0° |
| C43 | C44 | C49 | H25 | 12.0° | 16.7° |
| C44 | C45 | C46 | C47 | 31.2° | 30.6° |
| C45 | C44 | C43 | N42 | 0.4° | 0.0° |
| C44 | C45 | C46 | N41 | 178.9° | 179.9° |
| C44 | C45 | N41 | N42 | 0.6° | 0.1° |
| C44 | C45 | N41 | C40 | 179.4° | 179.9° |
| C44 | C45 | C46 | H20 | 151.3° | 89.2° |
| C44 | C45 | C46 | H21 | 88.8° | 150.5° |
| C45 | C44 | C49 | H25 | 167.2° | 163.2° |
| C47 | C46 | C45 | H20 | 120.1° | 119.8° |
| C47 | C46 | C45 | H21 | 120.0° | 119.9° |
| C47 | C46 | C45 | N41 | 147.6° | 149.3° |
| C47 | C46 | H20 | H21 | 119.8° | 120.4° |
| C46 | C47 | H22 | H23 | 118.0° | 118.5° |
| C46 | C47 | C48 | H24 | 137.6° | 146.1° |
| C43 | N42 | N41 | C45 | 0.3° | 0.1° |
| C43 | N42 | N41 | C40 | 179.6° | 180.0° |
| C46 | C45 | N41 | N42 | 179.6° | 179.8° |
| C46 | C45 | N41 | C40 | 0.4° | 0.2° |
| C45 | C46 | H20 | H21 | 119.8° | 120.3° |
| C45 | C46 | C47 | H22 | 68.6° | 166.1° |
| C45 | C46 | C47 | H23 | 172.7° | 75.5° |
| C45 | N41 | N42 | C40 | 180.0° | 179.9° |
| C45 | N41 | C40 | C38 | 74.6° | 90.0° |
| C45 | N41 | C40 | H18 | 45.6° | 30.0° |
| C45 | N41 | C40 | H19 | 165.3° | 150.0° |
| N41 | C45 | C46 | H20 | 27.5° | 90.9° |
| N41 | C45 | C46 | H21 | 92.3° | 29.4° |
| N42 | N41 | C40 | C38 | 105.4° | 90.0° |
| N42 | N41 | C40 | H18 | 134.4° | 150.0° |
| N42 | N41 | C40 | H19 | 14.8° | 29.9° |
| F32 | C31 | C33 | C30 | 179.8° | 180.0° |
| F32 | C31 | C33 | C34 | 179.9° | 180.0° |
| F32 | C31 | C30 | C29 | 179.8° | 180.0° |
| F32 | C31 | C30 | H15 | 0.2° | 0.0° |
| F32 | C31 | C33 | H16 | 0.1° | 0.0° |
| N41 | C40 | C38 | H18 | 120.2° | 120.0° |
| N41 | C40 | C38 | H19 | 120.2° | 120.0° |
| N41 | C40 | C38 | O39 | 9.2° | 0.0° |
| N41 | C40 | C38 | N37 | 170.7° | 180.0° |
| N41 | C40 | H18 | H19 | 119.4° | 120.1° |
| C31 | C33 | C34 | H16 | 180.0° | 179.9° |
| C33 | C31 | C30 | C29 | 0.4° | 0.0° |
| C31 | C33 | C34 | F35 | 179.8° | 180.0° |
| C31 | C33 | C34 | C36 | 0.2° | 0.0° |
| C33 | C31 | C30 | H15 | 179.6° | 180.0° |
| C30 | C31 | C33 | C34 | 0.1° | 0.0° |
| C31 | C30 | C29 | H15 | 180.0° | 180.0° |
| C31 | C30 | C29 | C36 | 0.4° | 0.0° |
| C31 | C30 | C29 | C28 | 179.9° | 179.7° |
| C30 | C31 | C33 | H16 | 179.9° | 180.0° |
| C40 | C38 | O39 | N37 | 179.9° | 180.0° |
| C40 | C38 | N37 | C27 | 178.3° | 180.0° |
| C38 | C40 | H18 | H19 | 119.5° | 119.9° |
| C40 | C38 | N37 | H27 | 1.7° | 0.0° |
| C33 | C34 | F35 | C36 | 179.6° | 180.0° |
| C33 | C34 | C36 | C29 | 0.2° | 0.0° |
| C33 | C34 | C36 | H17 | 179.8° | 179.6° |
| C30 | C29 | C36 | C34 | 0.1° | 0.0° |
| C30 | C29 | C36 | C28 | 179.7° | 179.8° |
| C30 | C29 | C28 | C27 | 89.5° | 89.7° |
| C30 | C29 | C28 | H5 | 150.1° | 150.2° |
| C30 | C29 | C28 | H6 | 30.9° | 30.2° |
| C30 | C29 | C36 | H17 | 179.9° | 179.7° |
| O39 | C38 | N37 | C27 | 1.6° | 0.1° |
| O39 | C38 | C40 | H18 | 129.4° | 120.0° |
| O39 | C38 | C40 | H19 | 111.0° | 120.0° |
| O39 | C38 | N37 | H27 | 178.4° | 180.0° |
| C38 | N37 | C27 | H27 | 180.0° | 180.0° |
| C38 | N37 | C27 | C28 | 119.6° | 85.0° |
| C38 | N37 | C27 | C26 | 121.9° | 155.0° |
| C38 | N37 | C27 | H14 | 2.3° | 35.0° |
| N37 | C38 | C40 | H18 | 50.5° | 60.0° |
| N37 | C38 | C40 | H19 | 69.1° | 60.0° |
| F35 | C34 | C36 | C29 | 179.8° | 180.0° |
| F35 | C34 | C33 | H16 | 0.2° | 0.0° |
| F35 | C34 | C36 | H17 | 0.2° | 0.3° |
| C34 | C36 | C29 | H17 | 180.0° | 179.7° |
| C34 | C36 | C29 | C28 | 179.8° | 179.7° |
| C36 | C34 | C33 | H16 | 179.8° | 180.0° |
| N37 | C27 | C28 | C29 | 72.0° | 65.0° |
| N37 | C27 | C28 | C26 | 116.9° | 120.0° |
| N37 | C27 | C28 | H14 | 122.2° | 120.0° |
| N37 | C27 | C26 | H14 | 120.3° | 120.0° |
| N37 | C27 | C26 | N25 | 36.0° | 35.0° |
| N37 | C27 | C26 | N16 | 143.5° | 144.2° |
| N37 | C27 | C28 | H5 | 167.6° | 55.0° |
| N37 | C27 | C28 | H6 | 48.3° | 175.0° |
| C36 | C29 | C28 | C27 | 90.9° | 90.1° |
| C36 | C29 | C28 | H5 | 29.5° | 30.0° |
| C36 | C29 | C28 | H6 | 148.8° | 150.0° |
| C36 | C29 | C30 | H15 | 179.6° | 180.0° |
| C29 | C28 | C27 | H5 | 120.4° | 120.1° |
| C29 | C28 | C27 | H6 | 120.4° | 119.9° |
| C29 | C28 | C27 | C26 | 171.1° | 175.0° |
| C29 | C28 | H5 | H6 | 118.8° | 120.0° |
| C29 | C28 | C27 | H14 | 50.2° | 54.9° |
| C28 | C29 | C30 | H15 | 0.1° | 0.3° |
| C28 | C29 | C36 | H17 | 0.3° | 0.1° |
| O08 | S06 | O09 | N05 | 117.3° | 116.7° |
| O08 | S06 | O09 | C07 | 118.6° | 131.6° |
| O08 | S06 | N05 | C07 | 124.6° | 116.1° |
| O08 | S06 | N05 | C04 | 56.2° | 51.0° |
| O08 | S06 | C07 | H10 | 180.0° | 51.6° |
| O08 | S06 | C07 | H11 | 60.0° | 171.6° |
| O08 | S06 | C07 | H12 | 60.0° | 68.4° |
| O08 | S06 | N05 | H26 | 177.6° | 128.9° |
| O09 | S06 | N05 | C07 | 123.7° | 116.1° |
| O09 | S06 | N05 | C04 | 167.9° | 178.9° |
| O09 | S06 | C07 | H10 | 67.0° | 171.6° |
| O09 | S06 | C07 | H11 | 173.0° | 51.6° |
| O09 | S06 | C07 | H12 | 53.0° | 68.5° |
| O09 | S06 | N05 | H26 | 70.7° | 1.0° |
| C28 | C27 | C26 | H14 | 121.2° | 120.1° |
| C28 | C27 | C26 | N25 | 82.6° | 85.0° |
| C28 | C27 | C26 | N16 | 98.0° | 95.9° |
| C27 | C28 | H5 | H6 | 118.8° | 120.0° |
| C28 | C27 | N37 | H27 | 60.4° | 95.0° |
| C27 | C26 | N25 | N16 | 179.5° | 179.1° |
| C27 | C26 | N25 | C24 | 179.8° | 180.0° |
| C27 | C26 | N16 | C15 | 1.2° | 0.3° |
| C27 | C26 | N16 | C17 | 179.0° | 179.7° |
| C26 | C27 | C28 | H5 | 50.7° | 64.9° |
| C26 | C27 | C28 | H6 | 68.5° | 55.1° |
| C26 | C27 | N37 | H27 | 58.1° | 25.0° |
| S06 | N05 | C04 | H26 | 121.4° | 179.9° |
| S06 | N05 | C04 | N03 | 4.3° | 0.0° |
| S06 | N05 | C04 | C10 | 175.1° | 180.0° |
| N05 | S06 | C07 | H10 | 55.7° | 60.0° |
| N05 | S06 | C07 | H11 | 64.3° | 60.0° |
| N05 | S06 | C07 | H12 | 175.6° | 179.9° |
| C07 | S06 | N05 | C04 | 68.4° | 65.0° |
| S06 | C07 | H10 | H11 | 120.0° | 120.0° |
| S06 | C07 | H10 | H12 | 120.0° | 119.9° |
| S06 | C07 | H11 | H12 | 120.0° | 120.0° |
| C07 | S06 | N05 | H26 | 53.0° | 115.0° |
| N05 | C04 | N03 | C10 | 179.5° | 179.9° |
| N05 | C04 | N03 | N02 | 179.7° | 179.8° |
| N05 | C04 | C10 | C54 | 179.8° | 180.0° |
| N05 | C04 | C10 | C11 | 0.3° | 0.2° |
| C04 | N03 | N02 | C01 | 179.6° | 179.9° |
| C04 | N03 | N02 | C54 | 0.1° | 0.4° |
| N03 | C04 | C10 | C54 | 0.3° | 0.0° |
| N03 | C04 | C10 | C11 | 179.8° | 179.7° |
| N03 | C04 | N05 | H26 | 117.1° | 180.0° |
| N02 | N03 | C04 | C10 | 0.2° | 0.2° |
| N03 | N02 | C01 | C54 | 179.6° | 179.6° |
| N03 | N02 | C54 | C10 | 0.1° | 0.3° |
| N03 | N02 | C54 | C15 | 179.5° | 179.6° |
| N03 | N02 | C01 | H7 | 0.0° | 89.6° |
| N03 | N02 | C01 | H8 | 120.0° | 30.4° |
| N03 | N02 | C01 | H9 | 120.0° | 150.4° |
| C04 | C10 | C54 | N02 | 0.3° | 0.2° |
| C04 | C10 | C54 | C11 | 179.9° | 179.8° |
| C04 | C10 | C54 | C15 | 179.4° | 179.8° |
| C04 | C10 | C11 | CL12 | 0.4° | 0.3° |
| C04 | C10 | C11 | C13 | 179.8° | 179.7° |
| C10 | C04 | N05 | H26 | 63.5° | 0.1° |
| N25 | C26 | N16 | C15 | 178.3° | 179.4° |
| N25 | C26 | N16 | C17 | 0.5° | 0.6° |
| C26 | N25 | C24 | N23 | 179.5° | 179.4° |
| C26 | N25 | C24 | C19 | 0.9° | 0.5° |
| N25 | C26 | C27 | H14 | 156.3° | 155.0° |
| N16 | C26 | N25 | C24 | 0.3° | 0.9° |
| C26 | N16 | C15 | C54 | 91.3° | 90.0° |
| C26 | N16 | C15 | C17 | 177.7° | 180.0° |
| C26 | N16 | C15 | C14 | 88.2° | 90.1° |
| C26 | N16 | C17 | C19 | 0.8° | 0.0° |
| C26 | N16 | C17 | O18 | 178.8° | 179.8° |
| N16 | C26 | C27 | H14 | 23.2° | 24.2° |
| C01 | N02 | C54 | C10 | 179.8° | 180.0° |
| C01 | N02 | C54 | C15 | 0.1° | 0.1° |
| N02 | C01 | H7 | H8 | 120.0° | 120.0° |
| N02 | C01 | H7 | H9 | 120.0° | 120.1° |
| N02 | C01 | H8 | H9 | 120.0° | 120.1° |
| N25 | C24 | N23 | C19 | 179.6° | 179.9° |
| N25 | C24 | N23 | C22 | 179.8° | 180.0° |
| N25 | C24 | C19 | C17 | 0.6° | 0.0° |
| N25 | C24 | C19 | C20 | 179.5° | 180.0° |
| N02 | C54 | C10 | C15 | 179.7° | 180.0° |
| N02 | C54 | C10 | C11 | 179.8° | 180.0° |
| N02 | C54 | C15 | N16 | 0.6° | 0.1° |
| N02 | C54 | C15 | C14 | 179.9° | 180.0° |
| C54 | N02 | C01 | H7 | 179.6° | 90.0° |
| C54 | N02 | C01 | H8 | 59.6° | 150.0° |
| C54 | N02 | C01 | H9 | 60.4° | 30.0° |
| C54 | C10 | C11 | CL12 | 179.7° | 179.9° |
| C54 | C10 | C11 | C13 | 0.1° | 0.0° |
| C10 | C54 | C15 | N16 | 179.8° | 179.9° |
| C10 | C54 | C15 | C14 | 0.3° | 0.0° |
| C11 | C10 | C54 | C15 | 0.5° | 0.0° |
| C10 | C11 | CL12 | C13 | 179.8° | 180.0° |
| C10 | C11 | C13 | C14 | 0.4° | 0.0° |
| C10 | C11 | C13 | H1 | 179.6° | 179.9° |
| C54 | C15 | N16 | C14 | 179.4° | 179.9° |
| C54 | C15 | N16 | C17 | 86.4° | 90.0° |
| C54 | C15 | C14 | C13 | 0.2° | 0.0° |
| C54 | C15 | C14 | H13 | 179.9° | 179.9° |
| CL12 | C11 | C13 | C14 | 179.8° | 180.0° |
| CL12 | C11 | C13 | H1 | 0.2° | 0.1° |
| C11 | C13 | C14 | C15 | 0.5° | 0.0° |
| C11 | C13 | C14 | H1 | 180.0° | 180.0° |
| C11 | C13 | C14 | H13 | 179.5° | 179.9° |
| N16 | C15 | C14 | C13 | 179.3° | 179.9° |
| C15 | N16 | C17 | C19 | 178.5° | 180.0° |
| C15 | N16 | C17 | O18 | 1.1° | 0.3° |
| N16 | C15 | C14 | H13 | 0.7° | 0.1° |
| C14 | C15 | N16 | C17 | 94.1° | 89.9° |
| C15 | C14 | C13 | H13 | 180.0° | 179.9° |
| C15 | C14 | C13 | H1 | 179.5° | 180.0° |
| N16 | C17 | C19 | C24 | 0.3° | 0.3° |
| N16 | C17 | C19 | O18 | 179.6° | 179.7° |
| N16 | C17 | C19 | C20 | 179.7° | 179.7° |
| N23 | C24 | C19 | C17 | 179.9° | 180.0° |
| N23 | C24 | C19 | C20 | 0.1° | 0.1° |
| C24 | N23 | C22 | C21 | 0.4° | 0.0° |
| C24 | N23 | C22 | H4 | 179.6° | 180.0° |
| C19 | C24 | N23 | C22 | 0.2° | 0.1° |
| C24 | C19 | C17 | C20 | 180.0° | 180.0° |
| C24 | C19 | C17 | O18 | 179.3° | 180.0° |
| C24 | C19 | C20 | C21 | 0.2° | 0.1° |
| C24 | C19 | C20 | H2 | 179.8° | 180.0° |
| N23 | C22 | C21 | H4 | 180.0° | 180.0° |
| N23 | C22 | C21 | C20 | 0.3° | 0.0° |
| N23 | C22 | C21 | H3 | 179.7° | 180.0° |
| C17 | C19 | C20 | C21 | 179.8° | 180.0° |
| C17 | C19 | C20 | H2 | 0.3° | 0.1° |
| O18 | C17 | C19 | C20 | 0.7° | 0.0° |
| C19 | C20 | C21 | C22 | 0.0° | 0.1° |
| C19 | C20 | C21 | H2 | 180.0° | 179.9° |
| C19 | C20 | C21 | H3 | 180.0° | 180.0° |
| C22 | C21 | C20 | H3 | 180.0° | 179.9° |
| C22 | C21 | C20 | H2 | 179.9° | 179.9° |
| C20 | C21 | C22 | H4 | 179.7° | 180.0° |
| H1 | C13 | C14 | H13 | 0.5° | 0.0° |
| H2 | C20 | C21 | H3 | 0.0° | 0.1° |
| H3 | C21 | C22 | H4 | 0.3° | 0.1° |
| H5 | C28 | C27 | H14 | 70.2° | 175.0° |
| H6 | C28 | C27 | H14 | 170.6° | 65.0° |
| H7 | C01 | H8 | H9 | 120.0° | 119.9° |
| H10 | C07 | H11 | H12 | 120.0° | 120.0° |
| H14 | C27 | N37 | H27 | 177.7° | 145.0° |
| H20 | C46 | C47 | H22 | 51.5° | 46.3° |
| H20 | C46 | C47 | H23 | 67.2° | 164.7° |
| H21 | C46 | C47 | H22 | 171.4° | 74.0° |
| H21 | C46 | C47 | H23 | 52.6° | 44.4° |
| H22 | C47 | C48 | H24 | 101.8° | 25.2° |
| H23 | C47 | C48 | H24 | 16.9° | 93.1° |
| H24 | C48 | C49 | H25 | 9.6° | 1.6° |
