CKM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F36 | C33 | sing | 1.35Å | 1.35Å | |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| F37 | C28 | sing | 1.35Å | 1.35Å | |
| C35 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.39Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C23 | sing | 1.51Å | 1.50Å | |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C11 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C20 | sing | 1.51Å | 1.51Å | |
| O | S | doub | 1.42Å | 1.45Å | |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | S | sing | 1.76Å | 1.78Å | |
| S | O5 | doub | 1.42Å | 1.45Å | |
| S | N3 | sing | 1.66Å | 1.73Å | |
| C20 | N19 | sing | 1.35Å | 1.38Å | |
| C20 | O21 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | N | sing | 1.47Å | 1.48Å | |
| C2 | N3 | sing | 1.47Å | 1.50Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| N19 | C14 | sing | 1.40Å | 1.42Å | |
| N3 | C38 | sing | 1.47Å | 1.49Å | |
| C4 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| N | C | sing | 1.47Å | 1.48Å | |
| C | C38 | sing | 1.53Å | 1.52Å | |
| C38 | C39 | sing | 1.53Å | 1.51Å | |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | F | sing | 1.35Å | 1.35Å | |
| C18 | C17 | doub | 1.38Å | 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 | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | 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) |
| F36 | C33 | C32 | 118.3° | 120.0° |
| F36 | C33 | C34 | 120.5° | 120.1° |
| C32 | C33 | C34 | 121.2° | 119.9° |
| C33 | C32 | C31 | 118.7° | 120.0° |
| C33 | C32 | H21 | 120.6° | 120.1° |
| C33 | C34 | C35 | 119.6° | 120.0° |
| C33 | C34 | H22 | 120.2° | 120.0° |
| C32 | C31 | C24 | 121.2° | 120.0° |
| C32 | C31 | H16 | 119.4° | 120.0° |
| C31 | C32 | H21 | 120.7° | 120.0° |
| C34 | C35 | C24 | 120.0° | 120.0° |
| C34 | C35 | H17 | 120.0° | 120.0° |
| C35 | C34 | H22 | 120.2° | 120.0° |
| C31 | C24 | C35 | 119.3° | 120.0° |
| C31 | C24 | C23 | 121.4° | 120.0° |
| C24 | C31 | H16 | 119.4° | 120.0° |
| F37 | C28 | C29 | 120.0° | 120.0° |
| F37 | C28 | C27 | 119.6° | 120.0° |
| C35 | C24 | C23 | 119.2° | 120.0° |
| C24 | C35 | H17 | 120.0° | 120.0° |
| C28 | C29 | C30 | 119.4° | 119.9° |
| C29 | C28 | C27 | 120.4° | 120.0° |
| C28 | C29 | H20 | 120.3° | 120.0° |
| C29 | C30 | C25 | 120.5° | 120.0° |
| C29 | C30 | H15 | 119.7° | 120.0° |
| C30 | C29 | H20 | 120.3° | 120.0° |
| C24 | C23 | C25 | 106.5° | 109.5° |
| C24 | C23 | C22 | 116.4° | 109.5° |
| C24 | C23 | H33 | 106.7° | 109.4° |
| C28 | C27 | C26 | 119.8° | 120.0° |
| C28 | C27 | H19 | 120.1° | 120.1° |
| C30 | C25 | C26 | 119.7° | 120.1° |
| C30 | C25 | C23 | 121.8° | 120.0° |
| C25 | C30 | H15 | 119.8° | 120.0° |
| C27 | C26 | C25 | 120.1° | 120.0° |
| C27 | C26 | H14 | 120.0° | 120.0° |
| C26 | C27 | H19 | 120.1° | 119.9° |
| C9 | C10 | C11 | 120.6° | 120.1° |
| C10 | C9 | C8 | 121.2° | 120.0° |
| C10 | C9 | H3 | 119.4° | 120.0° |
| C9 | C10 | H4 | 119.7° | 120.0° |
| C10 | C11 | C6 | 117.3° | 119.9° |
| C11 | C10 | H4 | 119.7° | 119.9° |
| C10 | C11 | H5 | 121.4° | 120.1° |
| C26 | C25 | C23 | 118.5° | 120.0° |
| C25 | C26 | H14 | 120.0° | 120.0° |
| C25 | C23 | C22 | 113.4° | 109.5° |
| C25 | C23 | H33 | 106.8° | 109.5° |
| C9 | C8 | C7 | 118.9° | 120.0° |
| C8 | C9 | H3 | 119.4° | 120.0° |
| C9 | C8 | H12 | 120.6° | 120.0° |
| C23 | C22 | C20 | 110.1° | 109.5° |
| C23 | C22 | H10 | 109.3° | 109.5° |
| C23 | C22 | H11 | 109.3° | 109.5° |
| C22 | C23 | H33 | 106.5° | 109.5° |
| C11 | C6 | C7 | 122.9° | 120.0° |
| C11 | C6 | S | 119.2° | 120.0° |
| C6 | C11 | H5 | 121.3° | 120.0° |
| C8 | C7 | C6 | 119.1° | 120.0° |
| C8 | C7 | H2 | 120.5° | 120.0° |
| C7 | C8 | H12 | 120.5° | 120.0° |
| C22 | C20 | N19 | 113.3° | 120.0° |
| C22 | C20 | O21 | 122.1° | 120.0° |
| C20 | C22 | H10 | 109.3° | 109.5° |
| C20 | C22 | H11 | 109.3° | 109.5° |
| O | S | C6 | 106.7° | 106.4° |
| O | S | O5 | 118.9° | 123.2° |
| O | S | N3 | 107.9° | 106.4° |
| C7 | C6 | S | 117.9° | 120.0° |
| C6 | C7 | H2 | 120.5° | 120.0° |
| C6 | S | O5 | 107.4° | 106.4° |
| C6 | S | N3 | 111.7° | 107.2° |
| O5 | S | N3 | 104.3° | 106.4° |
| S | N3 | C2 | 114.7° | 120.9° |
| S | N3 | C38 | 108.8° | 120.8° |
| N19 | C20 | O21 | 124.6° | 120.0° |
| C20 | N19 | C14 | 121.3° | 120.0° |
| C20 | N19 | H9 | 119.3° | 120.0° |
| C2 | C1 | N | 108.7° | 109.3° |
| C1 | C2 | N3 | 113.8° | 108.5° |
| C1 | C2 | C4 | 109.1° | 109.6° |
| C1 | C2 | H1 | 107.4° | 109.8° |
| C2 | C1 | H25 | 109.7° | 109.5° |
| C2 | C1 | H26 | 109.6° | 109.5° |
| C1 | N | C | 111.8° | 111.3° |
| N | C1 | H25 | 109.6° | 109.5° |
| N | C1 | H26 | 109.7° | 109.5° |
| C1 | N | H34 | 108.9° | 111.0° |
| N3 | C2 | C4 | 111.2° | 109.7° |
| C2 | N3 | C38 | 121.6° | 118.3° |
| N3 | C2 | H1 | 107.7° | 109.7° |
| C2 | C4 | C12 | 113.4° | 109.5° |
| C4 | C2 | H1 | 107.4° | 109.6° |
| C2 | C4 | H31 | 108.4° | 109.5° |
| C2 | C4 | H32 | 108.4° | 109.5° |
| N19 | C14 | C13 | 121.4° | 120.1° |
| N19 | C14 | C15 | 117.6° | 120.0° |
| C14 | N19 | H9 | 119.4° | 120.0° |
| N3 | C38 | C | 115.1° | 108.5° |
| N3 | C38 | C39 | 107.3° | 109.7° |
| N3 | C38 | H27 | 108.1° | 109.8° |
| C4 | C12 | C13 | 112.0° | 109.5° |
| C4 | C12 | H6 | 108.8° | 109.5° |
| C4 | C12 | H7 | 108.8° | 109.5° |
| C12 | C4 | H31 | 108.5° | 109.4° |
| C12 | C4 | H32 | 108.5° | 109.5° |
| C12 | C13 | C14 | 122.9° | 120.1° |
| C12 | C13 | C18 | 119.2° | 120.0° |
| C13 | C12 | H6 | 108.9° | 109.4° |
| C13 | C12 | H7 | 108.8° | 109.5° |
| N | C | C38 | 108.2° | 109.3° |
| N | C | H23 | 109.8° | 109.6° |
| N | C | H24 | 109.8° | 109.5° |
| C | N | H34 | 108.9° | 111.0° |
| C | C38 | C39 | 110.7° | 109.6° |
| C38 | C | H23 | 109.8° | 109.4° |
| C38 | C | H24 | 109.8° | 109.5° |
| C | C38 | H27 | 107.7° | 109.6° |
| C39 | C38 | H27 | 107.8° | 109.6° |
| C38 | C39 | H28 | 109.5° | 109.5° |
| C38 | C39 | H29 | 109.5° | 109.4° |
| C38 | C39 | H30 | 109.4° | 109.5° |
| C13 | C14 | C15 | 121.0° | 119.9° |
| C14 | C13 | C18 | 117.9° | 119.9° |
| C14 | C15 | C16 | 120.4° | 119.9° |
| C14 | C15 | H8 | 119.8° | 120.0° |
| C13 | C18 | F | 119.3° | 120.0° |
| C13 | C18 | C17 | 121.0° | 120.0° |
| C15 | C16 | C17 | 118.8° | 120.1° |
| C16 | C15 | H8 | 119.8° | 120.0° |
| C15 | C16 | H13 | 120.6° | 119.9° |
| F | C18 | C17 | 119.7° | 120.0° |
| C18 | C17 | C16 | 121.0° | 120.1° |
| C18 | C17 | H18 | 119.5° | 120.0° |
| C17 | C16 | H13 | 120.6° | 120.0° |
| C16 | C17 | H18 | 119.5° | 119.9° |
| H6 | C12 | H7 | 109.5° | 109.4° |
| H10 | C22 | H11 | 109.5° | 109.4° |
| H23 | C | H24 | 109.5° | 109.5° |
| H25 | C1 | H26 | 109.5° | 109.5° |
| H28 | C39 | H29 | 109.5° | 109.4° |
| H28 | C39 | H30 | 109.5° | 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) |
| F36 | C33 | C32 | C34 | 179.9° | 179.9° |
| F36 | C33 | C32 | C31 | 179.3° | 180.0° |
| F36 | C33 | C34 | C35 | 179.5° | 179.7° |
| F36 | C33 | C32 | H21 | 0.7° | 0.1° |
| F36 | C33 | C34 | H22 | 0.4° | 0.3° |
| C33 | C32 | C31 | H21 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.5° | 0.3° |
| C33 | C32 | C31 | C24 | 1.1° | 0.1° |
| C33 | C32 | C31 | H16 | 179.0° | 179.8° |
| C32 | C33 | C34 | H22 | 179.5° | 179.8° |
| C34 | C33 | C32 | C31 | 0.8° | 0.1° |
| C33 | C34 | C35 | H22 | 180.0° | 179.5° |
| C33 | C34 | C35 | C24 | 0.5° | 0.6° |
| C33 | C34 | C35 | H17 | 179.4° | 179.9° |
| C34 | C33 | C32 | H21 | 179.2° | 180.0° |
| C32 | C31 | C24 | H16 | 180.0° | 179.7° |
| C32 | C31 | C24 | C35 | 1.1° | 0.3° |
| C32 | C31 | C24 | C23 | 178.8° | 179.7° |
| C34 | C35 | C24 | C31 | 0.8° | 0.6° |
| C34 | C35 | C24 | H17 | 180.0° | 179.5° |
| C34 | C35 | C24 | C23 | 178.6° | 179.4° |
| C31 | C24 | C35 | C23 | 177.8° | 180.0° |
| C31 | C24 | C23 | C25 | 76.8° | 114.9° |
| C31 | C24 | C23 | C22 | 50.7° | 125.1° |
| C31 | C24 | C35 | H17 | 179.2° | 180.0° |
| C24 | C31 | C32 | H21 | 178.9° | 180.0° |
| C31 | C24 | C23 | H33 | 169.4° | 5.1° |
| F37 | C28 | C29 | C27 | 179.7° | 179.8° |
| F37 | C28 | C29 | C30 | 179.7° | 180.0° |
| F37 | C28 | C27 | C26 | 179.5° | 179.7° |
| F37 | C28 | C27 | H19 | 0.5° | 0.2° |
| F37 | C28 | C29 | H20 | 0.3° | 0.2° |
| C35 | C24 | C23 | C25 | 100.9° | 65.1° |
| C35 | C24 | C23 | C22 | 131.5° | 54.8° |
| C35 | C24 | C31 | H16 | 179.0° | 180.0° |
| C24 | C35 | C34 | H22 | 179.5° | 179.9° |
| C35 | C24 | C23 | H33 | 12.9° | 174.9° |
| C28 | C29 | C30 | H20 | 180.0° | 179.8° |
| C28 | C29 | C30 | C25 | 0.1° | 0.3° |
| C29 | C28 | C27 | C26 | 0.3° | 0.1° |
| C28 | C29 | C30 | H15 | 180.0° | 179.8° |
| C29 | C28 | C27 | H19 | 179.7° | 180.0° |
| C30 | C29 | C28 | C27 | 0.0° | 0.2° |
| C29 | C30 | C25 | H15 | 180.0° | 180.0° |
| C29 | C30 | C25 | C26 | 0.1° | 0.0° |
| C29 | C30 | C25 | C23 | 178.2° | 180.0° |
| C24 | C23 | C25 | C30 | 76.1° | 100.1° |
| C24 | C23 | C25 | C26 | 102.0° | 79.8° |
| C24 | C23 | C25 | C22 | 129.3° | 120.0° |
| C24 | C23 | C25 | H33 | 113.7° | 120.0° |
| C24 | C23 | C22 | H33 | 118.7° | 120.0° |
| C24 | C23 | C22 | C20 | 155.4° | 175.0° |
| C24 | C23 | C22 | H10 | 35.3° | 65.0° |
| C24 | C23 | C22 | H11 | 84.5° | 55.0° |
| C23 | C24 | C31 | H16 | 1.2° | 0.0° |
| C23 | C24 | C35 | H17 | 1.4° | 0.0° |
| C28 | C27 | C26 | H19 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.5° | 0.3° |
| C28 | C27 | C26 | H14 | 179.5° | 180.0° |
| C27 | C28 | C29 | H20 | 180.0° | 180.0° |
| C30 | C25 | C26 | C27 | 0.4° | 0.2° |
| C30 | C25 | C26 | C23 | 178.1° | 179.9° |
| C30 | C25 | C23 | C22 | 53.3° | 139.9° |
| C30 | C25 | C26 | H14 | 179.6° | 180.0° |
| C25 | C30 | C29 | H20 | 179.9° | 180.0° |
| C30 | C25 | C23 | H33 | 170.3° | 19.9° |
| C27 | C26 | C25 | H14 | 180.0° | 179.7° |
| C27 | C26 | C25 | C23 | 178.5° | 179.7° |
| C9 | C10 | C11 | H4 | 180.0° | 179.6° |
| C10 | C9 | C8 | H3 | 180.0° | 180.0° |
| C9 | C10 | C11 | C6 | 0.4° | 0.4° |
| C10 | C9 | C8 | C7 | 0.7° | 0.0° |
| C9 | C10 | C11 | H5 | 179.6° | 180.0° |
| C10 | C9 | C8 | H12 | 179.3° | 180.0° |
| C11 | C10 | C9 | C8 | 0.3° | 0.3° |
| C10 | C11 | C6 | H5 | 180.0° | 179.6° |
| C10 | C11 | C6 | C7 | 0.7° | 0.1° |
| C10 | C11 | C6 | S | 179.7° | 180.0° |
| C11 | C10 | C9 | H3 | 179.6° | 179.6° |
| C26 | C25 | C23 | C22 | 128.7° | 40.2° |
| C26 | C25 | C30 | H15 | 179.8° | 180.0° |
| C25 | C26 | C27 | H19 | 179.5° | 179.8° |
| C26 | C25 | C23 | H33 | 11.7° | 160.2° |
| C25 | C23 | C22 | H33 | 117.2° | 120.0° |
| C25 | C23 | C22 | C20 | 80.5° | 65.0° |
| C25 | C23 | C22 | H10 | 159.4° | 55.0° |
| C25 | C23 | C22 | H11 | 39.6° | 175.0° |
| C23 | C25 | C26 | H14 | 1.5° | 0.0° |
| C23 | C25 | C30 | H15 | 1.8° | 0.0° |
| C9 | C8 | C7 | H12 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.4° | 0.3° |
| C9 | C8 | C7 | H2 | 179.6° | 180.0° |
| C8 | C9 | C10 | H4 | 179.7° | 180.0° |
| C23 | C22 | C20 | H10 | 120.1° | 120.0° |
| C23 | C22 | C20 | H11 | 120.1° | 120.0° |
| C23 | C22 | C20 | N19 | 111.9° | 180.0° |
| C23 | C22 | C20 | O21 | 69.9° | 0.0° |
| C23 | C22 | H10 | H11 | 119.7° | 120.0° |
| C11 | C6 | C7 | C8 | 0.3° | 0.2° |
| C11 | C6 | S | O | 49.3° | 150.6° |
| C11 | C6 | C7 | S | 179.0° | 179.9° |
| C11 | C6 | S | O5 | 177.8° | 17.6° |
| C11 | C6 | S | N3 | 68.4° | 95.9° |
| C11 | C6 | C7 | H2 | 179.7° | 179.9° |
| C6 | C11 | C10 | H4 | 179.6° | 180.0° |
| C8 | C7 | C6 | H2 | 180.0° | 179.7° |
| C8 | C7 | C6 | S | 179.3° | 179.7° |
| C7 | C8 | C9 | H3 | 179.2° | 180.0° |
| C22 | C20 | N19 | O21 | 178.2° | 179.9° |
| C22 | C20 | N19 | C14 | 170.6° | 174.6° |
| C22 | C20 | N19 | H9 | 9.4° | 5.4° |
| C20 | C22 | H10 | H11 | 119.7° | 120.0° |
| C20 | C22 | C23 | H33 | 36.7° | 55.0° |
| O | S | C6 | C7 | 129.7° | 29.5° |
| O | S | C6 | O5 | 128.5° | 133.0° |
| O | S | C6 | N3 | 117.7° | 113.5° |
| O | S | O5 | N3 | 120.2° | 122.9° |
| O | S | N3 | C2 | 25.4° | 21.8° |
| O | S | N3 | C38 | 165.3° | 158.1° |
| C7 | C6 | S | O5 | 1.2° | 162.5° |
| C7 | C6 | S | N3 | 112.6° | 84.0° |
| C7 | C6 | C11 | H5 | 179.3° | 179.7° |
| C6 | C7 | C8 | H12 | 179.6° | 179.7° |
| C6 | S | O5 | N3 | 118.7° | 114.1° |
| C6 | S | N3 | C2 | 91.6° | 91.7° |
| C6 | S | N3 | C38 | 48.4° | 88.3° |
| S | C6 | C7 | H2 | 0.7° | 0.0° |
| S | C6 | C11 | H5 | 0.3° | 0.3° |
| O5 | S | N3 | C2 | 152.7° | 154.7° |
| O5 | S | N3 | C38 | 67.3° | 25.2° |
| S | N3 | C2 | C1 | 112.0° | 128.8° |
| S | N3 | C2 | C38 | 134.3° | 180.0° |
| S | N3 | C2 | C4 | 124.3° | 9.1° |
| S | N3 | C38 | C | 114.8° | 128.8° |
| S | N3 | C38 | C39 | 121.6° | 9.1° |
| S | N3 | C2 | H1 | 6.9° | 111.3° |
| S | N3 | C38 | H27 | 5.6° | 111.4° |
| C20 | N19 | C14 | H9 | 180.0° | 180.0° |
| C20 | N19 | C14 | C13 | 120.5° | 156.9° |
| C20 | N19 | C14 | C15 | 59.8° | 23.0° |
| N19 | C20 | C22 | H10 | 128.1° | 60.0° |
| N19 | C20 | C22 | H11 | 8.2° | 60.0° |
| O21 | C20 | N19 | C14 | 7.6° | 5.3° |
| O21 | C20 | N19 | H9 | 172.4° | 174.7° |
| O21 | C20 | C22 | H10 | 50.2° | 120.0° |
| O21 | C20 | C22 | H11 | 170.0° | 120.0° |
| C2 | C1 | N | H25 | 119.9° | 120.0° |
| C2 | C1 | N | H26 | 119.9° | 119.9° |
| C1 | C2 | N3 | C4 | 123.7° | 119.7° |
| C1 | C2 | N3 | H1 | 119.0° | 119.9° |
| C1 | C2 | C4 | H1 | 116.1° | 120.5° |
| C1 | C2 | N3 | C38 | 22.3° | 51.2° |
| C1 | C2 | C4 | C12 | 166.3° | 63.1° |
| C2 | C1 | N | C | 67.1° | 63.1° |
| C2 | C1 | H25 | H26 | 120.3° | 120.1° |
| C1 | C2 | C4 | H31 | 73.1° | 176.9° |
| C1 | C2 | C4 | H32 | 45.7° | 56.9° |
| C2 | C1 | N | H34 | 172.6° | 61.1° |
| N | C1 | C2 | N3 | 42.3° | 53.8° |
| N | C1 | C2 | C4 | 82.5° | 173.5° |
| C1 | N | C | H34 | 120.3° | 124.2° |
| C1 | N | C | C38 | 65.9° | 63.1° |
| N | C1 | C2 | H1 | 161.4° | 66.0° |
| C1 | N | C | H23 | 53.9° | 56.8° |
| C1 | N | C | H24 | 174.3° | 176.9° |
| N | C1 | H25 | H26 | 120.4° | 120.1° |
| N3 | C2 | C4 | H1 | 117.5° | 120.4° |
| N3 | C2 | C4 | C12 | 67.4° | 177.8° |
| C2 | N3 | C38 | C | 21.8° | 51.2° |
| C2 | N3 | C38 | C39 | 101.8° | 170.9° |
| N3 | C2 | C1 | H25 | 77.6° | 173.8° |
| N3 | C2 | C1 | H26 | 162.2° | 66.1° |
| C2 | N3 | C38 | H27 | 142.3° | 68.7° |
| N3 | C2 | C4 | H31 | 53.2° | 57.8° |
| N3 | C2 | C4 | H32 | 172.0° | 62.2° |
| C4 | C2 | N3 | C38 | 101.4° | 170.9° |
| C2 | C4 | C12 | H31 | 120.6° | 120.0° |
| C2 | C4 | C12 | H32 | 120.6° | 120.0° |
| C2 | C4 | C12 | C13 | 175.9° | 175.5° |
| C2 | C4 | C12 | H6 | 63.7° | 64.5° |
| C2 | C4 | C12 | H7 | 55.6° | 55.5° |
| C4 | C2 | C1 | H25 | 157.6° | 66.5° |
| C4 | C2 | C1 | H26 | 37.4° | 53.6° |
| C2 | C4 | H31 | H32 | 118.1° | 120.0° |
| N19 | C14 | C13 | C12 | 0.4° | 0.1° |
| N19 | C14 | C13 | C15 | 179.7° | 179.9° |
| N19 | C14 | C13 | C18 | 179.8° | 179.7° |
| N19 | C14 | C15 | C16 | 179.4° | 180.0° |
| N19 | C14 | C15 | H8 | 0.6° | 0.4° |
| N3 | C38 | C | N | 40.9° | 53.8° |
| N3 | C38 | C | C39 | 121.8° | 119.7° |
| N3 | C38 | C | H27 | 120.6° | 119.9° |
| N3 | C38 | C39 | H27 | 116.1° | 120.6° |
| C38 | N3 | C2 | H1 | 141.3° | 68.8° |
| N3 | C38 | C | H23 | 78.9° | 66.2° |
| N3 | C38 | C | H24 | 160.7° | 173.8° |
| N3 | C38 | C39 | H28 | 180.0° | 65.4° |
| N3 | C38 | C39 | H29 | 60.0° | 54.5° |
| N3 | C38 | C39 | H30 | 60.0° | 174.5° |
| C4 | C12 | C13 | H6 | 120.4° | 120.0° |
| C4 | C12 | C13 | H7 | 120.4° | 120.0° |
| C4 | C12 | C13 | C14 | 97.4° | 85.7° |
| C4 | C12 | C13 | C18 | 82.4° | 94.5° |
| C12 | C4 | C2 | H1 | 50.1° | 57.4° |
| C4 | C12 | H6 | H7 | 118.8° | 120.0° |
| C12 | C4 | H31 | H32 | 118.2° | 120.0° |
| C12 | C13 | C14 | C18 | 179.8° | 179.7° |
| C12 | C13 | C14 | C15 | 179.8° | 180.0° |
| C12 | C13 | C18 | F | 0.1° | 0.0° |
| C12 | C13 | C18 | C17 | 179.0° | 180.0° |
| C13 | C12 | H6 | H7 | 118.8° | 120.0° |
| C13 | C12 | C4 | H31 | 55.4° | 64.5° |
| C13 | C12 | C4 | H32 | 63.5° | 55.5° |
| N | C | C38 | H23 | 119.8° | 120.0° |
| N | C | C38 | H24 | 119.8° | 120.0° |
| N | C | C38 | C39 | 81.0° | 173.6° |
| N | C | H23 | H24 | 120.6° | 120.1° |
| C | N | C1 | H25 | 52.8° | 176.9° |
| C | N | C1 | H26 | 173.0° | 56.8° |
| N | C | C38 | H27 | 161.5° | 66.1° |
| C | C38 | C39 | H27 | 117.5° | 120.4° |
| C38 | C | H23 | H24 | 120.6° | 120.0° |
| C | C38 | C39 | H28 | 53.7° | 53.6° |
| C | C38 | C39 | H29 | 66.4° | 173.5° |
| C | C38 | C39 | H30 | 173.6° | 66.5° |
| C38 | C | N | H34 | 173.7° | 61.0° |
| C39 | C38 | C | H23 | 159.2° | 53.6° |
| C39 | C38 | C | H24 | 38.8° | 66.5° |
| C38 | C39 | H28 | H29 | 120.0° | 119.9° |
| C38 | C39 | H28 | H30 | 120.0° | 120.0° |
| C38 | C39 | H29 | H30 | 120.0° | 120.0° |
| C13 | C14 | C15 | C16 | 0.8° | 0.1° |
| C14 | C13 | C18 | F | 179.7° | 179.8° |
| C14 | C13 | C18 | C17 | 0.7° | 0.3° |
| C14 | C13 | C12 | H6 | 23.0° | 34.3° |
| C14 | C13 | C12 | H7 | 142.3° | 154.2° |
| C13 | C14 | C15 | H8 | 179.2° | 179.7° |
| C13 | C14 | N19 | H9 | 59.6° | 23.1° |
| C15 | C14 | C13 | C18 | 0.1° | 0.2° |
| C14 | C15 | C16 | H8 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.8° | 0.3° |
| C15 | C14 | N19 | H9 | 120.2° | 157.0° |
| C14 | C15 | C16 | H13 | 179.2° | 179.7° |
| C13 | C18 | F | C17 | 179.0° | 179.9° |
| C13 | C18 | C17 | C16 | 0.8° | 0.0° |
| C18 | C13 | C12 | H6 | 157.2° | 145.5° |
| C18 | C13 | C12 | H7 | 38.0° | 25.5° |
| C13 | C18 | C17 | H18 | 179.2° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.3° |
| C15 | C16 | C17 | H13 | 180.0° | 180.0° |
| C15 | C16 | C17 | H18 | 179.9° | 179.7° |
| F | C18 | C17 | C16 | 179.8° | 180.0° |
| F | C18 | C17 | H18 | 0.2° | 0.0° |
| C18 | C17 | C16 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | H13 | 179.9° | 179.8° |
| C17 | C16 | C15 | H8 | 179.2° | 180.0° |
| H1 | C2 | C1 | H25 | 41.5° | 53.9° |
| H1 | C2 | C1 | H26 | 78.7° | 174.0° |
| H1 | C2 | C4 | H31 | 170.7° | 62.6° |
| H1 | C2 | C4 | H32 | 70.5° | 177.4° |
| H2 | C7 | C8 | H12 | 0.4° | 0.0° |
| H3 | C9 | C10 | H4 | 0.4° | 0.0° |
| H3 | C9 | C8 | H12 | 0.8° | 0.0° |
| H4 | C10 | C11 | H5 | 0.4° | 0.3° |
| H6 | C12 | C4 | H31 | 175.8° | 55.5° |
| H6 | C12 | C4 | H32 | 56.9° | 175.5° |
| H7 | C12 | C4 | H31 | 65.0° | 175.5° |
| H7 | C12 | C4 | H32 | 176.1° | 64.5° |
| H8 | C15 | C16 | H13 | 0.8° | 0.0° |
| H10 | C22 | C23 | H33 | 83.4° | 175.0° |
| H11 | C22 | C23 | H33 | 156.8° | 65.0° |
| H13 | C16 | C17 | H18 | 0.1° | 0.3° |
| H14 | C26 | C27 | H19 | 0.5° | 0.0° |
| H15 | C30 | C29 | H20 | 0.0° | 0.0° |
| H16 | C31 | C32 | H21 | 1.1° | 0.3° |
| H17 | C35 | C34 | H22 | 0.5° | 0.5° |
| H23 | C | C38 | H27 | 41.7° | 173.9° |
| H23 | C | N | H34 | 66.4° | 179.0° |
| H24 | C | C38 | H27 | 78.7° | 53.9° |
| H24 | C | N | H34 | 54.0° | 58.9° |
| H25 | C1 | N | H34 | 67.6° | 58.9° |
| H26 | C1 | N | H34 | 52.7° | 179.0° |
| H27 | C38 | C39 | H28 | 63.8° | 174.0° |
| H27 | C38 | C39 | H29 | 176.1° | 66.1° |
| H27 | C38 | C39 | H30 | 56.1° | 53.9° |
| H28 | C39 | H29 | H30 | 120.0° | 120.1° |
