CKV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F37 | C28 | sing | 1.35Å | 1.35Å | |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C23 | sing | 1.51Å | 1.52Å | |
| C34 | C35 | doub | 1.38Å | 1.37Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| F36 | C33 | sing | 1.35Å | 1.35Å | |
| C35 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.50Å | |
| C24 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C20 | sing | 1.51Å | 1.51Å | |
| O | S | doub | 1.42Å | 1.46Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | S | sing | 1.76Å | 1.79Å | |
| C20 | N19 | sing | 1.35Å | 1.37Å | |
| C20 | O21 | doub | 1.21Å | 1.22Å | |
| S | O5 | doub | 1.42Å | 1.46Å | |
| S | N3 | sing | 1.66Å | 1.73Å | |
| N19 | C14 | sing | 1.40Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | N3 | sing | 1.47Å | 1.49Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C1 | N | sing | 1.47Å | 1.49Å | |
| N3 | C38 | sing | 1.47Å | 1.49Å | |
| C12 | C4 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| N | C | sing | 1.47Å | 1.48Å | |
| C13 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C | sing | 1.53Å | 1.51Å | |
| C | C39 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | F | sing | 1.35Å | 1.34Å | |
| C18 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| N19 | H9 | sing | 0.97Å | 1.00Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.08Å | 1.08Å | |
| C30 | H15 | sing | 1.08Å | 1.08Å | |
| C31 | H16 | sing | 1.08Å | 1.08Å | |
| C35 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C32 | H21 | sing | 1.08Å | 1.08Å | |
| C34 | H22 | sing | 1.08Å | 1.08Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C4 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| N | H34 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F37 | C28 | C29 | 118.4° | 120.0° |
| F37 | C28 | C27 | 120.6° | 120.0° |
| C29 | C28 | C27 | 121.0° | 120.0° |
| C28 | C29 | C30 | 118.6° | 119.9° |
| C28 | C29 | H20 | 120.7° | 120.0° |
| C28 | C27 | C26 | 120.0° | 119.9° |
| C28 | C27 | H19 | 120.0° | 120.1° |
| C29 | C30 | C25 | 121.3° | 120.1° |
| C29 | C30 | H15 | 119.4° | 120.0° |
| C30 | C29 | H20 | 120.7° | 120.0° |
| C27 | C26 | C25 | 119.7° | 120.1° |
| C27 | C26 | H14 | 120.2° | 120.0° |
| C26 | C27 | H19 | 120.0° | 120.0° |
| C30 | C25 | C26 | 119.5° | 120.0° |
| C30 | C25 | C23 | 120.3° | 120.0° |
| C25 | C30 | H15 | 119.4° | 119.9° |
| C26 | C25 | C23 | 120.2° | 120.0° |
| C25 | C26 | H14 | 120.2° | 120.0° |
| C25 | C23 | C24 | 109.3° | 109.5° |
| C25 | C23 | C22 | 114.8° | 109.5° |
| C25 | C23 | H33 | 106.2° | 109.5° |
| C35 | C34 | C33 | 118.7° | 120.0° |
| C34 | C35 | C24 | 120.9° | 120.0° |
| C34 | C35 | H17 | 119.6° | 120.1° |
| C35 | C34 | H22 | 120.6° | 120.0° |
| C34 | C33 | F36 | 118.8° | 120.1° |
| C34 | C33 | C32 | 121.6° | 119.9° |
| C33 | C34 | H22 | 120.6° | 120.0° |
| F36 | C33 | C32 | 119.6° | 120.0° |
| C35 | C24 | C23 | 121.8° | 119.9° |
| C35 | C24 | C31 | 119.5° | 120.0° |
| C24 | C35 | H17 | 119.5° | 120.0° |
| C33 | C32 | C31 | 119.1° | 120.0° |
| C33 | C32 | H21 | 120.5° | 120.1° |
| C23 | C24 | C31 | 118.6° | 120.0° |
| C24 | C23 | C22 | 113.5° | 109.4° |
| C24 | C23 | H33 | 106.4° | 109.5° |
| C24 | C31 | C32 | 120.1° | 120.1° |
| C24 | C31 | H16 | 120.0° | 120.0° |
| C32 | C31 | H16 | 120.0° | 120.0° |
| C31 | C32 | H21 | 120.4° | 120.0° |
| C23 | C22 | C20 | 111.1° | 109.5° |
| C23 | C22 | H10 | 109.1° | 109.5° |
| C23 | C22 | H11 | 109.0° | 109.5° |
| C22 | C23 | H33 | 106.1° | 109.5° |
| C9 | C8 | C7 | 119.8° | 120.0° |
| C8 | C9 | C10 | 120.5° | 120.0° |
| C8 | C9 | H3 | 119.7° | 120.0° |
| C9 | C8 | H12 | 120.1° | 120.0° |
| C8 | C7 | C6 | 119.2° | 120.0° |
| C8 | C7 | H2 | 120.4° | 120.0° |
| C7 | C8 | H12 | 120.1° | 120.0° |
| C9 | C10 | C11 | 120.2° | 120.0° |
| C10 | C9 | H3 | 119.8° | 120.0° |
| C9 | C10 | H4 | 119.9° | 120.0° |
| C7 | C6 | C11 | 121.7° | 120.0° |
| C7 | C6 | S | 119.5° | 120.0° |
| C6 | C7 | H2 | 120.4° | 120.0° |
| C22 | C20 | N19 | 114.5° | 120.0° |
| C22 | C20 | O21 | 121.8° | 119.9° |
| C20 | C22 | H10 | 109.1° | 109.5° |
| C20 | C22 | H11 | 109.1° | 109.4° |
| O | S | C6 | 106.5° | 106.4° |
| O | S | O5 | 120.7° | 123.2° |
| O | S | N3 | 102.6° | 106.4° |
| C10 | C11 | C6 | 118.6° | 120.0° |
| C11 | C10 | H4 | 119.9° | 120.0° |
| C10 | C11 | H5 | 120.7° | 120.1° |
| C11 | C6 | S | 118.8° | 120.0° |
| C6 | C11 | H5 | 120.7° | 119.9° |
| C6 | S | O5 | 105.1° | 106.4° |
| C6 | S | N3 | 116.2° | 107.2° |
| N19 | C20 | O21 | 123.6° | 120.0° |
| C20 | N19 | C14 | 121.9° | 120.0° |
| C20 | N19 | H9 | 119.0° | 120.0° |
| O5 | S | N3 | 106.4° | 106.4° |
| S | N3 | C2 | 115.4° | 120.9° |
| S | N3 | C38 | 110.2° | 120.9° |
| N19 | C14 | C13 | 121.1° | 120.1° |
| N19 | C14 | C15 | 117.3° | 120.1° |
| C14 | N19 | H9 | 119.1° | 120.0° |
| C1 | C2 | N3 | 112.8° | 108.5° |
| C1 | C2 | C4 | 112.8° | 109.6° |
| C2 | C1 | N | 110.8° | 109.4° |
| C1 | C2 | H1 | 106.8° | 109.7° |
| C2 | C1 | H25 | 109.1° | 109.5° |
| C2 | C1 | H26 | 109.1° | 109.5° |
| N3 | C2 | C4 | 110.1° | 109.6° |
| C2 | N3 | C38 | 118.7° | 118.3° |
| N3 | C2 | H1 | 107.3° | 109.6° |
| C2 | C4 | C12 | 114.3° | 109.5° |
| C4 | C2 | H1 | 106.7° | 109.8° |
| C2 | C4 | H31 | 108.3° | 109.4° |
| C2 | C4 | H32 | 108.3° | 109.5° |
| C1 | N | C | 118.2° | 111.3° |
| N | C1 | H25 | 109.1° | 109.5° |
| N | C1 | H26 | 109.1° | 109.5° |
| C1 | N | H34 | 107.3° | 111.0° |
| N3 | C38 | C | 112.6° | 108.5° |
| N3 | C38 | H23 | 108.7° | 109.6° |
| N3 | C38 | H24 | 108.7° | 109.8° |
| C4 | C12 | C13 | 117.2° | 109.5° |
| C4 | C12 | H6 | 107.5° | 109.5° |
| C4 | C12 | H7 | 107.5° | 109.5° |
| C12 | C4 | H31 | 108.2° | 109.5° |
| C12 | C4 | H32 | 108.3° | 109.5° |
| C12 | C13 | C14 | 123.7° | 120.0° |
| C12 | C13 | C18 | 119.9° | 120.0° |
| C13 | C12 | H6 | 107.5° | 109.5° |
| C13 | C12 | H7 | 107.5° | 109.4° |
| C13 | C14 | C15 | 121.5° | 119.9° |
| C14 | C13 | C18 | 116.4° | 119.9° |
| C14 | C15 | C16 | 120.9° | 120.0° |
| C14 | C15 | H8 | 119.6° | 120.0° |
| N | C | C38 | 107.2° | 109.3° |
| N | C | C39 | 107.5° | 109.5° |
| N | C | H27 | 111.8° | 109.5° |
| C | N | H34 | 107.2° | 111.0° |
| C13 | C18 | F | 118.2° | 120.0° |
| C13 | C18 | C17 | 122.1° | 120.0° |
| C38 | C | C39 | 107.4° | 109.5° |
| C | C38 | H23 | 108.7° | 109.6° |
| C | C38 | H24 | 108.7° | 109.6° |
| C38 | C | H27 | 111.4° | 109.5° |
| C39 | C | H27 | 111.4° | 109.5° |
| C | C39 | H28 | 109.5° | 109.5° |
| C | C39 | H29 | 109.5° | 109.5° |
| C | C39 | H30 | 109.4° | 109.5° |
| C15 | C16 | C17 | 117.8° | 120.1° |
| C16 | C15 | H8 | 119.6° | 120.0° |
| C15 | C16 | H13 | 121.1° | 119.9° |
| F | C18 | C17 | 119.7° | 120.0° |
| C18 | C17 | C16 | 121.2° | 120.1° |
| C18 | C17 | H18 | 119.4° | 120.0° |
| C17 | C16 | H13 | 121.1° | 119.9° |
| C16 | C17 | H18 | 119.4° | 120.0° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.4° |
| H23 | C38 | H24 | 109.5° | 109.6° |
| H25 | C1 | H26 | 109.5° | 109.5° |
| H28 | C39 | H29 | 109.5° | 109.4° |
| H28 | C39 | H30 | 109.4° | 109.5° |
| H29 | C39 | H30 | 109.5° | 109.5° |
| H31 | C4 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F37 | C28 | C29 | C27 | 179.8° | 179.8° |
| F37 | C28 | C29 | C30 | 179.8° | 180.0° |
| F37 | C28 | C27 | C26 | 179.9° | 179.8° |
| F37 | C28 | C27 | H19 | 0.1° | 0.3° |
| F37 | C28 | C29 | H20 | 0.2° | 0.5° |
| C28 | C29 | C30 | H20 | 180.0° | 179.5° |
| C29 | C28 | C27 | C26 | 0.3° | 0.0° |
| C28 | C29 | C30 | C25 | 0.2° | 0.5° |
| C28 | C29 | C30 | H15 | 179.8° | 180.0° |
| C29 | C28 | C27 | H19 | 179.7° | 179.9° |
| C27 | C28 | C29 | C30 | 0.4° | 0.2° |
| C28 | C27 | C26 | H19 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.4° | 0.0° |
| C28 | C27 | C26 | H14 | 179.6° | 179.7° |
| C27 | C28 | C29 | H20 | 179.5° | 179.7° |
| C29 | C30 | C25 | H15 | 180.0° | 179.5° |
| C29 | C30 | C25 | C26 | 0.9° | 0.5° |
| C29 | C30 | C25 | C23 | 179.3° | 179.4° |
| C27 | C26 | C25 | C30 | 1.0° | 0.3° |
| C27 | C26 | C25 | H14 | 180.0° | 179.7° |
| C27 | C26 | C25 | C23 | 179.4° | 179.6° |
| C30 | C25 | C26 | C23 | 178.4° | 179.9° |
| C30 | C25 | C23 | C24 | 74.3° | 67.3° |
| C30 | C25 | C23 | C22 | 54.5° | 52.7° |
| C30 | C25 | C26 | H14 | 179.0° | 179.9° |
| C25 | C30 | C29 | H20 | 179.8° | 180.0° |
| C30 | C25 | C23 | H33 | 171.3° | 172.7° |
| C26 | C25 | C23 | C24 | 104.1° | 112.8° |
| C26 | C25 | C23 | C22 | 127.1° | 127.3° |
| C26 | C25 | C30 | H15 | 179.1° | 180.0° |
| C25 | C26 | C27 | H19 | 179.6° | 179.9° |
| C26 | C25 | C23 | H33 | 10.3° | 7.2° |
| C25 | C23 | C24 | C35 | 73.2° | 112.4° |
| C25 | C23 | C24 | C22 | 129.5° | 120.0° |
| C25 | C23 | C24 | H33 | 114.3° | 120.0° |
| C25 | C23 | C24 | C31 | 104.1° | 67.6° |
| C25 | C23 | C22 | H33 | 116.9° | 120.0° |
| C25 | C23 | C22 | C20 | 158.0° | 65.1° |
| C25 | C23 | C22 | H10 | 37.8° | 55.0° |
| C25 | C23 | C22 | H11 | 81.7° | 175.0° |
| C23 | C25 | C26 | H14 | 0.6° | 0.0° |
| C23 | C25 | C30 | H15 | 0.7° | 0.1° |
| C35 | C34 | C33 | H22 | 180.0° | 179.7° |
| C35 | C34 | C33 | F36 | 179.3° | 180.0° |
| C34 | C35 | C24 | H17 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 0.3° | 0.3° |
| C34 | C35 | C24 | C23 | 177.6° | 180.0° |
| C34 | C35 | C24 | C31 | 0.3° | 0.0° |
| C34 | C33 | F36 | C32 | 179.7° | 179.7° |
| C33 | C34 | C35 | C24 | 0.5° | 0.3° |
| C34 | C33 | C32 | C31 | 0.6° | 0.0° |
| C33 | C34 | C35 | H17 | 179.5° | 179.7° |
| C34 | C33 | C32 | H21 | 179.4° | 180.0° |
| F36 | C33 | C32 | C31 | 179.8° | 179.7° |
| F36 | C33 | C32 | H21 | 0.2° | 0.3° |
| F36 | C33 | C34 | H22 | 0.6° | 0.3° |
| C35 | C24 | C23 | C31 | 177.3° | 180.0° |
| C35 | C24 | C31 | C32 | 1.3° | 0.2° |
| C35 | C24 | C23 | C22 | 56.2° | 127.6° |
| C35 | C24 | C31 | H16 | 178.8° | 180.0° |
| C24 | C35 | C34 | H22 | 179.6° | 179.9° |
| C35 | C24 | C23 | H33 | 172.5° | 7.6° |
| C33 | C32 | C31 | C24 | 1.4° | 0.2° |
| C33 | C32 | C31 | H21 | 180.0° | 180.0° |
| C33 | C32 | C31 | H16 | 178.6° | 180.0° |
| C32 | C33 | C34 | H22 | 179.7° | 179.9° |
| C23 | C24 | C31 | C32 | 178.6° | 179.8° |
| C24 | C23 | C22 | H33 | 116.5° | 120.0° |
| C24 | C23 | C22 | C20 | 75.4° | 175.0° |
| C24 | C23 | C22 | H10 | 164.4° | 65.0° |
| C24 | C23 | C22 | H11 | 44.9° | 55.0° |
| C23 | C24 | C31 | H16 | 1.4° | 0.0° |
| C23 | C24 | C35 | H17 | 2.4° | 0.0° |
| C24 | C31 | C32 | H16 | 180.0° | 179.8° |
| C31 | C24 | C23 | C22 | 126.5° | 52.4° |
| C31 | C24 | C35 | H17 | 179.7° | 180.0° |
| C24 | C31 | C32 | H21 | 178.6° | 179.8° |
| C31 | C24 | C23 | H33 | 10.2° | 172.4° |
| C23 | C22 | C20 | H10 | 120.3° | 120.1° |
| C23 | C22 | C20 | H11 | 120.2° | 120.0° |
| C23 | C22 | C20 | N19 | 109.9° | 180.0° |
| C23 | C22 | C20 | O21 | 71.3° | 0.0° |
| C23 | C22 | H10 | H11 | 119.2° | 120.0° |
| C9 | C8 | C7 | H12 | 180.0° | 180.0° |
| C8 | C9 | C10 | H3 | 180.0° | 179.7° |
| C9 | C8 | C7 | C6 | 0.7° | 0.1° |
| C8 | C9 | C10 | C11 | 0.0° | 0.3° |
| C9 | C8 | C7 | H2 | 179.3° | 179.8° |
| C8 | C9 | C10 | H4 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 0.2° | 0.1° |
| C8 | C7 | C6 | H2 | 180.0° | 179.7° |
| C8 | C7 | C6 | C11 | 1.1° | 0.3° |
| C8 | C7 | C6 | S | 179.6° | 179.7° |
| C7 | C8 | C9 | H3 | 179.9° | 179.8° |
| C9 | C10 | C11 | H4 | 180.0° | 180.0° |
| C9 | C10 | C11 | C6 | 0.4° | 0.5° |
| C9 | C10 | C11 | H5 | 179.6° | 180.0° |
| C10 | C9 | C8 | H12 | 179.9° | 180.0° |
| C7 | C6 | S | O | 33.6° | 162.7° |
| C7 | C6 | C11 | C10 | 0.9° | 0.5° |
| C7 | C6 | C11 | S | 178.5° | 179.9° |
| C7 | C6 | S | O5 | 162.8° | 29.8° |
| C7 | C6 | S | N3 | 79.9° | 83.7° |
| C7 | C6 | C11 | H5 | 179.1° | 180.0° |
| C6 | C7 | C8 | H12 | 179.4° | 180.0° |
| C22 | C20 | N19 | O21 | 178.8° | 179.9° |
| C22 | C20 | N19 | C14 | 174.4° | 173.2° |
| C22 | C20 | N19 | H9 | 5.5° | 6.9° |
| C20 | C22 | H10 | H11 | 119.3° | 119.9° |
| C20 | C22 | C23 | H33 | 41.1° | 55.0° |
| O | S | C6 | C11 | 145.0° | 17.2° |
| O | S | C6 | O5 | 129.2° | 132.9° |
| O | S | C6 | N3 | 113.5° | 113.6° |
| O | S | O5 | N3 | 116.1° | 123.0° |
| O | S | N3 | C2 | 49.8° | 34.5° |
| O | S | N3 | C38 | 172.4° | 145.5° |
| C10 | C11 | C6 | H5 | 180.0° | 179.5° |
| C10 | C11 | C6 | S | 179.5° | 179.5° |
| C11 | C10 | C9 | H3 | 180.0° | 180.0° |
| C11 | C6 | S | O5 | 15.8° | 150.2° |
| C11 | C6 | S | N3 | 101.5° | 96.3° |
| C11 | C6 | C7 | H2 | 178.9° | 180.0° |
| C6 | C11 | C10 | H4 | 179.6° | 179.5° |
| C6 | S | O5 | N3 | 123.8° | 114.1° |
| C6 | S | N3 | C2 | 65.8° | 79.0° |
| C6 | S | N3 | C38 | 71.9° | 101.0° |
| S | C6 | C7 | H2 | 0.4° | 0.0° |
| S | C6 | C11 | H5 | 0.5° | 0.1° |
| C20 | N19 | C14 | H9 | 180.0° | 179.9° |
| C20 | N19 | C14 | C13 | 120.2° | 160.5° |
| C20 | N19 | C14 | C15 | 60.2° | 19.5° |
| N19 | C20 | C22 | H10 | 129.9° | 59.9° |
| N19 | C20 | C22 | H11 | 10.3° | 60.0° |
| O21 | C20 | N19 | C14 | 4.4° | 6.9° |
| O21 | C20 | N19 | H9 | 175.6° | 173.1° |
| O21 | C20 | C22 | H10 | 49.0° | 120.0° |
| O21 | C20 | C22 | H11 | 168.5° | 120.1° |
| O5 | S | N3 | C2 | 177.5° | 167.5° |
| O5 | S | N3 | C38 | 44.7° | 12.6° |
| S | N3 | C2 | C1 | 93.1° | 128.8° |
| S | N3 | C2 | C38 | 134.0° | 180.0° |
| S | N3 | C2 | C4 | 140.0° | 9.1° |
| S | N3 | C38 | C | 88.0° | 128.8° |
| S | N3 | C2 | H1 | 24.2° | 111.5° |
| S | N3 | C38 | H23 | 151.5° | 111.5° |
| S | N3 | C38 | H24 | 32.5° | 9.0° |
| N19 | C14 | C13 | C12 | 0.0° | 0.0° |
| N19 | C14 | C13 | C15 | 179.6° | 180.0° |
| N19 | C14 | C13 | C18 | 179.5° | 179.7° |
| N19 | C14 | C15 | C16 | 179.6° | 179.9° |
| N19 | C14 | C15 | H8 | 0.4° | 0.4° |
| C1 | C2 | N3 | C4 | 126.9° | 119.7° |
| C1 | C2 | N3 | H1 | 117.4° | 119.7° |
| C1 | C2 | C4 | H1 | 116.9° | 120.5° |
| C2 | C1 | N | H25 | 120.2° | 119.9° |
| C2 | C1 | N | H26 | 120.2° | 120.0° |
| C1 | C2 | N3 | C38 | 40.8° | 51.2° |
| C1 | C2 | C4 | C12 | 179.0° | 66.8° |
| C2 | C1 | N | C | 51.9° | 63.1° |
| C2 | C1 | H25 | H26 | 119.4° | 120.0° |
| C1 | C2 | C4 | H31 | 58.3° | 173.3° |
| C1 | C2 | C4 | H32 | 60.3° | 53.3° |
| C2 | C1 | N | H34 | 173.2° | 61.0° |
| N3 | C2 | C4 | H1 | 116.2° | 120.5° |
| N3 | C2 | C1 | N | 39.5° | 53.8° |
| N3 | C2 | C4 | C12 | 52.0° | 174.2° |
| C2 | N3 | C38 | C | 48.2° | 51.2° |
| C2 | N3 | C38 | H23 | 72.3° | 68.5° |
| C2 | N3 | C38 | H24 | 168.6° | 171.0° |
| N3 | C2 | C1 | H25 | 80.7° | 173.8° |
| N3 | C2 | C1 | H26 | 159.7° | 66.1° |
| N3 | C2 | C4 | H31 | 68.6° | 54.3° |
| N3 | C2 | C4 | H32 | 172.8° | 65.7° |
| C4 | C2 | C1 | N | 86.0° | 173.5° |
| C4 | C2 | N3 | C38 | 86.1° | 170.9° |
| C2 | C4 | C12 | H31 | 120.7° | 120.0° |
| C2 | C4 | C12 | H32 | 120.7° | 120.0° |
| C2 | C4 | C12 | C13 | 161.5° | 175.4° |
| C2 | C4 | C12 | H6 | 77.4° | 64.6° |
| C2 | C4 | C12 | H7 | 40.4° | 55.4° |
| C4 | C2 | C1 | H25 | 153.8° | 66.5° |
| C4 | C2 | C1 | H26 | 34.2° | 53.5° |
| C2 | C4 | H31 | H32 | 117.8° | 120.0° |
| C1 | N | C | H34 | 121.3° | 124.1° |
| C1 | N | C | C38 | 57.6° | 63.1° |
| C1 | N | C | C39 | 172.7° | 56.8° |
| N | C1 | C2 | H1 | 157.2° | 65.9° |
| N | C1 | H25 | H26 | 119.4° | 120.1° |
| C1 | N | C | H27 | 64.8° | 176.9° |
| N3 | C38 | C | N | 51.9° | 53.8° |
| N3 | C38 | C | H23 | 120.5° | 119.7° |
| N3 | C38 | C | H24 | 120.5° | 120.0° |
| N3 | C38 | C | C39 | 167.1° | 66.1° |
| C38 | N3 | C2 | H1 | 158.2° | 68.5° |
| N3 | C38 | H23 | H24 | 118.6° | 120.6° |
| N3 | C38 | C | H27 | 70.7° | 173.8° |
| C4 | C12 | C13 | H6 | 121.1° | 120.0° |
| C4 | C12 | C13 | H7 | 121.1° | 120.0° |
| C4 | C12 | C13 | C14 | 110.1° | 93.7° |
| C4 | C12 | C13 | C18 | 70.4° | 86.6° |
| C12 | C4 | C2 | H1 | 64.1° | 53.7° |
| C4 | C12 | H6 | H7 | 116.5° | 120.0° |
| C12 | C4 | H31 | H32 | 117.8° | 120.0° |
| C12 | C13 | C14 | C18 | 179.5° | 179.7° |
| C12 | C13 | C14 | C15 | 179.6° | 180.0° |
| C12 | C13 | C18 | F | 0.4° | 0.0° |
| C12 | C13 | C18 | C17 | 179.7° | 179.9° |
| C13 | C12 | H6 | H7 | 116.5° | 119.9° |
| C13 | C12 | C4 | H31 | 40.8° | 64.7° |
| C13 | C12 | C4 | H32 | 77.8° | 55.3° |
| C13 | C14 | C15 | C16 | 0.8° | 0.1° |
| C14 | C13 | C18 | F | 179.1° | 179.7° |
| C14 | C13 | C18 | C17 | 0.7° | 0.3° |
| C14 | C13 | C12 | H6 | 11.0° | 26.4° |
| C14 | C13 | C12 | H7 | 128.8° | 146.3° |
| C13 | C14 | C15 | H8 | 179.2° | 179.7° |
| C13 | C14 | N19 | H9 | 59.9° | 19.4° |
| C15 | C14 | C13 | C18 | 0.1° | 0.2° |
| C14 | C15 | C16 | H8 | 180.0° | 179.6° |
| C14 | C15 | C16 | C17 | 0.9° | 0.4° |
| C15 | C14 | N19 | H9 | 119.7° | 160.6° |
| C14 | C15 | C16 | H13 | 179.1° | 179.7° |
| N | C | C38 | C39 | 115.2° | 120.0° |
| N | C | C38 | H27 | 122.5° | 120.0° |
| N | C | C39 | H27 | 122.7° | 120.1° |
| N | C | C38 | H23 | 68.6° | 65.9° |
| N | C | C38 | H24 | 172.4° | 173.8° |
| C | N | C1 | H25 | 68.3° | 176.9° |
| C | N | C1 | H26 | 172.1° | 56.8° |
| N | C | C39 | H28 | 180.0° | 179.8° |
| N | C | C39 | H29 | 60.0° | 60.2° |
| N | C | C39 | H30 | 60.0° | 59.8° |
| C13 | C18 | F | C17 | 179.9° | 179.9° |
| C13 | C18 | C17 | C16 | 0.6° | 0.0° |
| C18 | C13 | C12 | H6 | 168.5° | 153.4° |
| C18 | C13 | C12 | H7 | 50.7° | 33.4° |
| C13 | C18 | C17 | H18 | 179.4° | 180.0° |
| C38 | C | C39 | H27 | 122.3° | 120.1° |
| C | C38 | H23 | H24 | 118.5° | 120.4° |
| C38 | C | C39 | H28 | 65.0° | 60.0° |
| C38 | C | C39 | H29 | 175.0° | 180.0° |
| C38 | C | C39 | H30 | 55.0° | 60.0° |
| C38 | C | N | H34 | 178.8° | 61.0° |
| C39 | C | C38 | H23 | 46.6° | 174.2° |
| C39 | C | C38 | H24 | 72.4° | 53.8° |
| C | C39 | H28 | H29 | 120.0° | 120.0° |
| C | C39 | H28 | H30 | 120.0° | 120.0° |
| C | C39 | H29 | H30 | 120.0° | 120.0° |
| C39 | C | N | H34 | 66.0° | 179.1° |
| C15 | C16 | C17 | C18 | 0.3° | 0.3° |
| C15 | C16 | C17 | H13 | 180.0° | 179.9° |
| C15 | C16 | C17 | H18 | 179.7° | 179.6° |
| F | C18 | C17 | C16 | 179.3° | 180.0° |
| F | C18 | C17 | H18 | 0.7° | 0.1° |
| C18 | C17 | C16 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | H13 | 179.7° | 179.8° |
| C17 | C16 | C15 | H8 | 179.1° | 180.0° |
| H1 | C2 | C1 | H25 | 37.0° | 54.1° |
| H1 | C2 | C1 | H26 | 82.6° | 174.1° |
| H1 | C2 | C4 | H31 | 175.2° | 66.2° |
| H1 | C2 | C4 | H32 | 56.6° | 173.8° |
| H2 | C7 | C8 | H12 | 0.6° | 0.3° |
| H3 | C9 | C10 | H4 | 0.0° | 0.0° |
| H3 | C9 | C8 | H12 | 0.1° | 0.3° |
| H4 | C10 | C11 | H5 | 0.4° | 0.0° |
| H6 | C12 | C4 | H31 | 161.9° | 55.3° |
| H6 | C12 | C4 | H32 | 43.3° | 175.4° |
| H7 | C12 | C4 | H31 | 80.3° | 175.3° |
| H7 | C12 | C4 | H32 | 161.1° | 64.6° |
| H8 | C15 | C16 | H13 | 0.9° | 0.1° |
| H10 | C22 | C23 | H33 | 79.2° | 175.0° |
| H11 | C22 | C23 | H33 | 161.3° | 65.0° |
| H13 | C16 | C17 | H18 | 0.3° | 0.2° |
| H14 | C26 | C27 | H19 | 0.4° | 0.4° |
| H15 | C30 | C29 | H20 | 0.1° | 0.5° |
| H16 | C31 | C32 | H21 | 1.3° | 0.0° |
| H17 | C35 | C34 | H22 | 0.4° | 0.1° |
| H23 | C38 | C | H27 | 168.9° | 54.1° |
| H24 | C38 | C | H27 | 49.8° | 66.3° |
| H25 | C1 | N | H34 | 53.0° | 58.9° |
| H26 | C1 | N | H34 | 66.7° | 179.0° |
| H27 | C | C39 | H28 | 57.3° | 60.1° |
| H27 | C | C39 | H29 | 62.7° | 59.9° |
| H27 | C | C39 | H30 | 177.3° | 179.9° |
| H27 | C | N | H34 | 56.5° | 58.9° |
| H28 | C39 | H29 | H30 | 120.0° | 120.0° |
