71H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | doub | 1.33Å | 1.53Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C22 | C21 | sing | 1.47Å | 1.50Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C21 | C25 | doub | 1.37Å | 1.35Å | |
| C21 | N2 | sing | 1.38Å | 1.39Å | |
| C25 | C26 | sing | 1.41Å | 1.46Å | |
| C26 | O1 | doub | 1.22Å | 1.23Å | |
| C26 | N3 | sing | 1.34Å | 1.38Å | |
| N2 | C27 | sing | 1.36Å | 1.38Å | |
| N2 | C20 | sing | 1.47Å | 1.46Å | |
| N3 | C27 | doub | 1.32Å | 1.30Å | |
| C27 | S | sing | 1.76Å | 1.74Å | |
| C20 | C19 | sing | 1.51Å | 1.53Å | |
| S | C28 | sing | 1.81Å | 1.83Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C34 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.55Å | 1.55Å | |
| C8 | C9 | sing | 1.55Å | 1.55Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | N1 | sing | 1.46Å | 1.46Å | |
| C33 | C32 | sing | 1.39Å | 1.37Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | N1 | sing | 1.35Å | 1.35Å | |
| C19 | O | doub | 1.21Å | 1.23Å | |
| C10 | C7 | sing | 1.55Å | 1.55Å | |
| C10 | C9 | sing | 1.55Å | 1.55Å | |
| C7 | C11 | sing | 1.54Å | 1.54Å | |
| N1 | C5 | sing | 1.47Å | 1.47Å | |
| C9 | C12 | sing | 1.51Å | 1.53Å | |
| C9 | C11 | sing | 1.57Å | 1.55Å | |
| C12 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | F3 | sing | 1.35Å | 1.36Å | |
| C32 | C31 | doub | 1.38Å | 1.37Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | N | sing | 1.47Å | 1.47Å | |
| F2 | C18 | sing | 1.40Å | 1.34Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C18 | sing | 1.51Å | 1.50Å | |
| C18 | F1 | sing | 1.40Å | 1.34Å | |
| C18 | F | sing | 1.40Å | 1.33Å | |
| N | C1 | sing | 1.47Å | 1.47Å | |
| N | C2 | sing | 1.47Å | 1.48Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | C | sing | 1.53Å | 1.50Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| C33 | H22 | sing | 1.08Å | 1.08Å | |
| C34 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C2 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | H32 | sing | 1.09Å | 1.10Å | |
| C | H33 | sing | 1.09Å | 1.10Å | |
| C | H34 | sing | 1.09Å | 1.10Å | |
| C | H35 | sing | 1.09Å | 1.10Å | |
| C11 | H36 | sing | 1.09Å | 1.10Å | |
| C11 | H37 | sing | 1.09Å | 1.10Å | |
| C16 | H38 | sing | 1.08Å | 1.08Å | |
| C14 | H39 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 108.0° | 107.5° |
| C23 | C22 | C21 | 103.2° | 110.9° |
| C23 | C22 | H15 | 128.4° | 124.6° |
| C22 | C23 | H24 | 126.0° | 126.2° |
| C23 | C24 | C25 | 104.0° | 105.2° |
| C23 | C24 | H16 | 110.8° | 110.3° |
| C23 | C24 | H17 | 110.8° | 110.4° |
| C24 | C23 | H24 | 126.0° | 126.3° |
| C22 | C21 | C25 | 112.9° | 109.5° |
| C22 | C21 | N2 | 125.6° | 132.1° |
| C21 | C22 | H15 | 128.4° | 124.5° |
| C24 | C25 | C21 | 111.1° | 106.8° |
| C24 | C25 | C26 | 130.9° | 133.6° |
| C25 | C24 | H16 | 110.9° | 110.3° |
| C25 | C24 | H17 | 110.8° | 110.3° |
| C25 | C21 | N2 | 121.4° | 118.4° |
| C21 | C25 | C26 | 118.0° | 119.6° |
| C21 | N2 | C27 | 117.4° | 120.1° |
| C21 | N2 | C20 | 120.9° | 119.9° |
| C25 | C26 | O1 | 121.5° | 120.3° |
| C25 | C26 | N3 | 118.9° | 119.4° |
| O1 | C26 | N3 | 119.5° | 120.3° |
| C26 | N3 | C27 | 119.3° | 120.8° |
| C27 | N2 | C20 | 121.7° | 119.9° |
| N2 | C27 | N3 | 124.7° | 121.6° |
| N2 | C27 | S | 115.7° | 119.2° |
| N2 | C20 | C19 | 110.2° | 109.5° |
| N2 | C20 | H13 | 109.3° | 109.4° |
| N2 | C20 | H14 | 109.3° | 109.5° |
| N3 | C27 | S | 119.5° | 119.2° |
| C27 | S | C28 | 103.6° | 100.0° |
| C20 | C19 | N1 | 118.2° | 120.1° |
| C20 | C19 | O | 119.7° | 120.0° |
| C19 | C20 | H13 | 109.3° | 109.4° |
| C19 | C20 | H14 | 109.3° | 109.5° |
| S | C28 | C29 | 106.0° | 109.5° |
| S | C28 | H18 | 110.3° | 109.4° |
| S | C28 | H19 | 110.3° | 109.5° |
| C28 | C29 | C34 | 120.9° | 120.0° |
| C28 | C29 | C30 | 120.7° | 120.0° |
| C29 | C28 | H18 | 110.3° | 109.5° |
| C29 | C28 | H19 | 110.3° | 109.5° |
| C33 | C34 | C29 | 121.2° | 120.0° |
| C34 | C33 | C32 | 118.2° | 120.0° |
| C34 | C33 | H22 | 120.9° | 120.0° |
| C33 | C34 | H23 | 119.4° | 120.0° |
| C34 | C29 | C30 | 118.3° | 120.1° |
| C29 | C34 | H23 | 119.4° | 120.0° |
| C7 | C8 | C9 | 74.7° | 78.6° |
| C8 | C7 | C6 | 122.9° | 129.1° |
| C8 | C7 | C10 | 86.9° | 84.5° |
| C8 | C7 | C11 | 87.2° | 84.5° |
| C7 | C8 | H7 | 117.3° | 115.0° |
| C7 | C8 | H8 | 117.3° | 115.0° |
| C8 | C9 | C10 | 86.8° | 84.5° |
| C8 | C9 | C12 | 131.9° | 129.1° |
| C8 | C9 | C11 | 86.8° | 83.8° |
| C9 | C8 | H7 | 117.3° | 115.0° |
| C9 | C8 | H8 | 117.3° | 115.0° |
| C7 | C6 | N1 | 115.7° | 109.5° |
| C6 | C7 | C10 | 124.4° | 129.1° |
| C6 | C7 | C11 | 134.1° | 129.0° |
| C7 | C6 | H5 | 107.9° | 109.5° |
| C7 | C6 | H6 | 107.9° | 109.5° |
| C6 | N1 | C19 | 127.4° | 120.0° |
| C6 | N1 | C5 | 115.1° | 120.0° |
| N1 | C6 | H5 | 107.9° | 109.5° |
| N1 | C6 | H6 | 107.9° | 109.5° |
| C33 | C32 | F3 | 118.6° | 120.0° |
| C33 | C32 | C31 | 122.8° | 119.9° |
| C32 | C33 | H22 | 120.9° | 120.0° |
| C29 | C30 | C31 | 121.3° | 120.0° |
| C29 | C30 | H21 | 119.3° | 119.9° |
| N1 | C19 | O | 122.1° | 119.9° |
| C19 | N1 | C5 | 117.5° | 120.0° |
| C7 | C10 | C9 | 74.7° | 78.6° |
| C10 | C7 | C11 | 87.2° | 84.5° |
| C7 | C10 | H9 | 117.3° | 115.0° |
| C7 | C10 | H10 | 117.3° | 115.0° |
| C10 | C9 | C12 | 133.5° | 129.1° |
| C10 | C9 | C11 | 86.8° | 83.7° |
| C9 | C10 | H9 | 117.3° | 114.9° |
| C9 | C10 | H10 | 117.3° | 115.0° |
| C7 | C11 | C9 | 75.0° | 78.2° |
| C7 | C11 | H36 | 117.3° | 115.0° |
| C7 | C11 | H37 | 117.3° | 114.9° |
| N1 | C5 | C4 | 113.3° | 109.4° |
| N1 | C5 | H3 | 108.5° | 109.5° |
| N1 | C5 | H4 | 108.5° | 109.5° |
| C12 | C9 | C11 | 115.5° | 130.0° |
| C9 | C12 | C17 | 120.8° | 120.0° |
| C9 | C12 | C13 | 121.1° | 120.0° |
| C9 | C11 | H36 | 117.3° | 114.6° |
| C9 | C11 | H37 | 117.3° | 115.8° |
| C17 | C12 | C13 | 118.0° | 120.0° |
| C12 | C17 | C16 | 121.0° | 120.0° |
| C12 | C17 | H12 | 119.5° | 120.0° |
| C12 | C13 | C14 | 121.1° | 120.0° |
| C12 | C13 | H11 | 119.5° | 120.0° |
| F3 | C32 | C31 | 118.5° | 120.0° |
| C32 | C31 | C30 | 118.2° | 120.0° |
| C32 | C31 | H20 | 120.9° | 119.9° |
| C30 | C31 | H20 | 120.9° | 120.1° |
| C31 | C30 | H21 | 119.4° | 120.0° |
| C17 | C16 | C15 | 120.8° | 119.9° |
| C16 | C17 | H12 | 119.5° | 120.0° |
| C17 | C16 | H38 | 119.6° | 120.1° |
| C13 | C14 | C15 | 120.8° | 120.0° |
| C14 | C13 | H11 | 119.5° | 120.0° |
| C13 | C14 | H39 | 119.6° | 120.0° |
| C16 | C15 | C14 | 118.2° | 120.0° |
| C16 | C15 | C18 | 120.7° | 119.9° |
| C15 | C16 | H38 | 119.6° | 120.0° |
| C5 | C4 | N | 114.4° | 109.5° |
| C5 | C4 | H1 | 108.2° | 109.5° |
| C5 | C4 | H2 | 108.2° | 109.5° |
| C4 | C5 | H3 | 108.5° | 109.5° |
| C4 | C5 | H4 | 108.5° | 109.5° |
| C4 | N | C1 | 115.9° | 111.0° |
| C4 | N | C2 | 120.1° | 111.0° |
| N | C4 | H1 | 108.2° | 109.4° |
| N | C4 | H2 | 108.2° | 109.5° |
| F2 | C18 | C15 | 112.4° | 109.5° |
| F2 | C18 | F1 | 106.3° | 109.5° |
| F2 | C18 | F | 106.4° | 109.4° |
| C14 | C15 | C18 | 121.0° | 120.0° |
| C15 | C14 | H39 | 119.6° | 120.0° |
| C15 | C18 | F1 | 113.1° | 109.5° |
| C15 | C18 | F | 112.5° | 109.4° |
| F1 | C18 | F | 105.6° | 109.5° |
| C1 | N | C2 | 115.9° | 111.0° |
| N | C1 | C | 114.7° | 109.5° |
| N | C1 | H31 | 108.2° | 109.5° |
| N | C1 | H32 | 108.2° | 109.5° |
| N | C2 | C3 | 114.2° | 109.5° |
| N | C2 | H26 | 108.3° | 109.5° |
| N | C2 | H27 | 108.3° | 109.5° |
| C3 | C2 | H26 | 108.3° | 109.4° |
| C3 | C2 | H27 | 108.3° | 109.4° |
| C2 | C3 | H28 | 109.5° | 109.5° |
| C2 | C3 | H29 | 109.4° | 109.4° |
| C2 | C3 | H30 | 109.5° | 109.5° |
| C | C1 | H31 | 108.1° | 109.4° |
| C | C1 | H32 | 108.1° | 109.5° |
| C1 | C | H33 | 109.5° | 109.4° |
| C1 | C | H34 | 109.4° | 109.5° |
| C1 | C | H35 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.4° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.4° | 113.9° |
| H9 | C10 | H10 | 109.5° | 113.9° |
| H13 | C20 | H14 | 109.4° | 109.5° |
| H16 | C24 | H17 | 109.4° | 110.3° |
| H18 | C28 | H19 | 109.5° | 109.5° |
| H26 | C2 | H27 | 109.4° | 109.5° |
| H28 | C3 | H29 | 109.5° | 109.4° |
| H28 | C3 | H30 | 109.5° | 109.5° |
| H29 | C3 | H30 | 109.4° | 109.5° |
| H31 | C1 | H32 | 109.5° | 109.5° |
| H33 | C | H34 | 109.5° | 109.5° |
| H33 | C | H35 | 109.4° | 109.4° |
| H34 | C | H35 | 109.5° | 109.5° |
| H36 | C11 | H37 | 109.5° | 113.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H24 | 180.0° | 179.9° |
| C23 | C22 | C21 | H15 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 9.1° | 0.0° |
| C23 | C22 | C21 | C25 | 5.1° | 0.0° |
| C23 | C22 | C21 | N2 | 179.3° | 180.0° |
| C22 | C23 | C24 | H16 | 128.2° | 118.9° |
| C22 | C23 | C24 | H17 | 110.1° | 118.9° |
| C24 | C23 | C22 | C21 | 8.6° | 0.0° |
| C23 | C24 | C25 | H16 | 119.1° | 118.9° |
| C23 | C24 | C25 | H17 | 119.1° | 119.0° |
| C23 | C24 | C25 | C21 | 6.1° | 0.0° |
| C23 | C24 | C25 | C26 | 173.6° | 180.0° |
| C24 | C23 | C22 | H15 | 171.3° | 180.0° |
| C23 | C24 | H16 | H17 | 122.5° | 122.2° |
| C22 | C21 | C25 | C24 | 0.7° | 0.0° |
| C22 | C21 | C25 | N2 | 175.8° | 180.0° |
| C22 | C21 | C25 | C26 | 179.1° | 180.0° |
| C22 | C21 | N2 | C27 | 178.6° | 180.0° |
| C22 | C21 | N2 | C20 | 3.4° | 0.1° |
| C21 | C22 | C23 | H24 | 171.4° | 180.0° |
| C24 | C25 | C21 | C26 | 179.7° | 180.0° |
| C24 | C25 | C21 | N2 | 175.2° | 180.0° |
| C24 | C25 | C26 | O1 | 0.5° | 0.1° |
| C24 | C25 | C26 | N3 | 179.1° | 179.9° |
| C25 | C24 | H16 | H17 | 122.6° | 122.1° |
| C25 | C24 | C23 | H24 | 171.0° | 179.9° |
| C21 | C25 | C26 | O1 | 179.9° | 180.0° |
| C21 | C25 | C26 | N3 | 1.2° | 0.1° |
| C25 | C21 | N2 | C27 | 6.1° | 0.1° |
| C25 | C21 | N2 | C20 | 171.9° | 180.0° |
| C25 | C21 | C22 | H15 | 174.9° | 180.0° |
| C21 | C25 | C24 | H16 | 125.2° | 118.9° |
| C21 | C25 | C24 | H17 | 113.0° | 119.0° |
| N2 | C21 | C25 | C26 | 5.1° | 0.0° |
| C21 | N2 | C27 | C20 | 178.0° | 179.9° |
| C21 | N2 | C27 | N3 | 3.3° | 0.0° |
| C21 | N2 | C27 | S | 180.0° | 180.0° |
| C21 | N2 | C20 | C19 | 83.1° | 90.1° |
| C21 | N2 | C20 | H13 | 37.0° | 150.0° |
| C21 | N2 | C20 | H14 | 156.7° | 30.0° |
| N2 | C21 | C22 | H15 | 0.7° | 0.0° |
| C25 | C26 | O1 | N3 | 178.6° | 179.8° |
| C25 | C26 | N3 | C27 | 1.6° | 0.2° |
| C26 | C25 | C24 | H16 | 54.4° | 61.1° |
| C26 | C25 | C24 | H17 | 67.3° | 61.0° |
| O1 | C26 | N3 | C27 | 177.1° | 180.0° |
| C26 | N3 | C27 | N2 | 0.5° | 0.1° |
| C26 | N3 | C27 | S | 176.1° | 179.9° |
| N2 | C27 | N3 | S | 176.7° | 180.0° |
| C27 | N2 | C20 | C19 | 94.8° | 90.0° |
| N2 | C27 | S | C28 | 179.9° | 180.0° |
| C27 | N2 | C20 | H13 | 145.1° | 29.9° |
| C27 | N2 | C20 | H14 | 25.4° | 150.0° |
| C20 | N2 | C27 | N3 | 174.7° | 180.0° |
| C20 | N2 | C27 | S | 2.0° | 0.0° |
| N2 | C20 | C19 | H13 | 120.1° | 119.9° |
| N2 | C20 | C19 | H14 | 120.1° | 120.0° |
| N2 | C20 | C19 | N1 | 164.6° | 180.0° |
| N2 | C20 | C19 | O | 14.7° | 0.0° |
| N2 | C20 | H13 | H14 | 119.7° | 120.0° |
| N3 | C27 | S | C28 | 3.1° | 0.0° |
| C27 | S | C28 | C29 | 160.7° | 180.0° |
| C27 | S | C28 | H18 | 79.8° | 60.0° |
| C27 | S | C28 | H19 | 41.3° | 60.0° |
| C20 | C19 | N1 | C6 | 0.8° | 179.7° |
| C20 | C19 | N1 | O | 179.3° | 180.0° |
| C20 | C19 | N1 | C5 | 179.8° | 0.0° |
| C19 | C20 | H13 | H14 | 119.6° | 120.0° |
| S | C28 | C29 | H18 | 119.5° | 120.0° |
| S | C28 | C29 | H19 | 119.5° | 120.0° |
| S | C28 | C29 | C34 | 98.1° | 90.0° |
| S | C28 | C29 | C30 | 78.4° | 90.2° |
| S | C28 | H18 | H19 | 121.6° | 120.0° |
| C28 | C29 | C34 | C33 | 175.3° | 180.0° |
| C28 | C29 | C34 | C30 | 176.6° | 179.8° |
| C28 | C29 | C30 | C31 | 175.8° | 179.9° |
| C29 | C28 | H18 | H19 | 121.6° | 120.0° |
| C28 | C29 | C30 | H21 | 4.2° | 0.0° |
| C28 | C29 | C34 | H23 | 4.7° | 0.1° |
| C33 | C34 | C29 | H23 | 180.0° | 179.9° |
| C34 | C33 | C32 | H22 | 180.0° | 180.0° |
| C33 | C34 | C29 | C30 | 1.3° | 0.3° |
| C34 | C33 | C32 | F3 | 179.6° | 180.0° |
| C34 | C33 | C32 | C31 | 0.2° | 0.3° |
| C29 | C34 | C33 | C32 | 0.8° | 0.0° |
| C34 | C29 | C30 | C31 | 0.8° | 0.3° |
| C34 | C29 | C28 | H18 | 21.3° | 150.0° |
| C34 | C29 | C28 | H19 | 142.4° | 30.0° |
| C34 | C29 | C30 | H21 | 179.2° | 179.8° |
| C29 | C34 | C33 | H22 | 179.2° | 179.9° |
| C7 | C8 | C9 | H7 | 113.2° | 112.4° |
| C7 | C8 | C9 | H8 | 113.2° | 112.4° |
| C8 | C7 | C6 | C10 | 111.4° | 120.1° |
| C8 | C7 | C6 | C11 | 123.1° | 119.9° |
| C8 | C7 | C6 | N1 | 174.4° | 60.1° |
| C8 | C7 | C10 | C11 | 87.3° | 85.0° |
| C7 | C8 | C9 | C10 | 43.7° | 42.0° |
| C7 | C8 | C9 | C12 | 165.2° | 179.6° |
| C7 | C8 | C9 | C11 | 43.2° | 42.3° |
| C8 | C7 | C6 | H5 | 53.4° | 179.9° |
| C8 | C7 | C6 | H6 | 64.7° | 59.9° |
| C7 | C8 | H7 | H8 | 136.9° | 135.7° |
| C8 | C7 | C10 | H9 | 69.4° | 70.4° |
| C8 | C7 | C10 | H10 | 157.0° | 154.3° |
| C8 | C7 | C11 | H36 | 156.8° | 154.3° |
| C8 | C7 | C11 | H37 | 69.8° | 70.7° |
| C9 | C8 | C7 | C6 | 173.5° | 179.6° |
| C8 | C9 | C10 | C12 | 150.2° | 137.6° |
| C8 | C9 | C10 | C11 | 87.0° | 84.3° |
| C8 | C9 | C12 | C11 | 110.2° | 119.9° |
| C8 | C9 | C12 | C17 | 37.2° | 180.0° |
| C8 | C9 | C12 | C13 | 145.4° | 0.0° |
| C9 | C8 | H7 | H8 | 137.0° | 135.7° |
| C8 | C9 | C10 | H9 | 69.5° | 70.4° |
| C8 | C9 | C10 | H10 | 157.0° | 154.4° |
| C8 | C9 | C11 | H36 | 156.8° | 154.8° |
| C8 | C9 | C11 | H37 | 69.8° | 69.6° |
| C7 | C6 | N1 | H5 | 120.9° | 120.0° |
| C7 | C6 | N1 | H6 | 120.9° | 120.0° |
| C7 | C6 | N1 | C19 | 112.1° | 89.7° |
| C6 | C7 | C10 | C11 | 144.2° | 137.4° |
| C6 | C7 | C10 | C9 | 172.2° | 179.5° |
| C7 | C6 | N1 | C5 | 68.9° | 90.0° |
| C6 | C7 | C11 | C9 | 178.7° | 180.0° |
| C7 | C6 | H5 | H6 | 117.2° | 120.0° |
| C6 | C7 | C8 | H7 | 73.3° | 68.0° |
| C6 | C7 | C8 | H8 | 60.2° | 67.2° |
| C6 | C7 | C10 | H9 | 59.0° | 67.2° |
| C6 | C7 | C10 | H10 | 74.5° | 68.1° |
| C6 | C7 | C11 | H36 | 68.0° | 68.2° |
| C6 | C7 | C11 | H37 | 65.5° | 66.8° |
| C6 | N1 | C19 | C5 | 179.0° | 179.7° |
| C6 | N1 | C19 | O | 179.9° | 0.3° |
| N1 | C6 | C7 | C10 | 63.0° | 60.0° |
| N1 | C6 | C7 | C11 | 62.6° | 180.0° |
| C6 | N1 | C5 | C4 | 85.3° | 90.1° |
| C6 | N1 | C5 | H3 | 35.3° | 150.0° |
| C6 | N1 | C5 | H4 | 154.1° | 30.0° |
| N1 | C6 | H5 | H6 | 117.2° | 120.0° |
| C33 | C32 | F3 | C31 | 179.8° | 179.7° |
| C33 | C32 | C31 | C30 | 0.7° | 0.2° |
| C33 | C32 | C31 | H20 | 179.3° | 179.8° |
| C32 | C33 | C34 | H23 | 179.2° | 179.9° |
| C29 | C30 | C31 | C32 | 0.2° | 0.1° |
| C29 | C30 | C31 | H21 | 180.0° | 179.9° |
| C30 | C29 | C28 | H18 | 162.1° | 29.8° |
| C30 | C29 | C28 | H19 | 41.0° | 149.7° |
| C29 | C30 | C31 | H20 | 179.8° | 180.0° |
| C30 | C29 | C34 | H23 | 178.7° | 179.7° |
| C19 | N1 | C5 | C4 | 93.8° | 90.3° |
| C19 | N1 | C5 | H3 | 145.6° | 29.7° |
| C19 | N1 | C5 | H4 | 26.8° | 149.7° |
| C19 | N1 | C6 | H5 | 8.8° | 30.3° |
| C19 | N1 | C6 | H6 | 127.0° | 150.3° |
| N1 | C19 | C20 | H13 | 75.3° | 60.0° |
| N1 | C19 | C20 | H14 | 44.4° | 60.0° |
| O | C19 | N1 | C5 | 0.9° | 180.0° |
| O | C19 | C20 | H13 | 105.4° | 120.0° |
| O | C19 | C20 | H14 | 134.8° | 120.0° |
| C7 | C10 | C9 | H9 | 113.2° | 112.4° |
| C7 | C10 | C9 | H10 | 113.2° | 112.4° |
| C7 | C10 | C9 | C12 | 166.0° | 179.5° |
| C7 | C10 | C9 | C11 | 43.2° | 42.4° |
| C10 | C7 | C6 | H5 | 57.9° | 59.9° |
| C10 | C7 | C6 | H6 | 176.1° | 180.0° |
| C10 | C7 | C8 | H7 | 157.0° | 154.4° |
| C10 | C7 | C8 | H8 | 69.5° | 70.4° |
| C7 | C10 | H9 | H10 | 136.9° | 135.7° |
| C10 | C7 | C11 | H36 | 69.8° | 69.3° |
| C10 | C7 | C11 | H37 | 156.8° | 155.7° |
| C10 | C9 | C12 | C11 | 111.5° | 120.0° |
| C10 | C9 | C12 | C17 | 175.5° | 59.9° |
| C10 | C9 | C12 | C13 | 7.1° | 120.1° |
| C10 | C9 | C8 | H7 | 156.9° | 154.3° |
| C10 | C9 | C8 | H8 | 69.5° | 70.5° |
| C9 | C10 | H9 | H10 | 136.9° | 135.7° |
| C10 | C9 | C11 | H36 | 69.8° | 69.7° |
| C10 | C9 | C11 | H37 | 156.7° | 154.8° |
| C7 | C11 | C9 | C12 | 179.1° | 180.0° |
| C7 | C11 | C9 | H36 | 113.3° | 112.3° |
| C7 | C11 | C9 | H37 | 113.3° | 112.2° |
| C11 | C7 | C6 | H5 | 176.5° | 60.0° |
| C11 | C7 | C6 | H6 | 58.3° | 60.0° |
| C11 | C7 | C8 | H7 | 69.7° | 69.4° |
| C11 | C7 | C8 | H8 | 156.8° | 155.4° |
| C11 | C7 | C10 | H9 | 156.8° | 155.4° |
| C11 | C7 | C10 | H10 | 69.7° | 69.4° |
| C7 | C11 | H36 | H37 | 136.8° | 135.5° |
| N1 | C5 | C4 | H3 | 120.6° | 120.0° |
| N1 | C5 | C4 | H4 | 120.6° | 120.0° |
| N1 | C5 | C4 | N | 179.8° | 180.0° |
| N1 | C5 | C4 | H1 | 59.5° | 60.0° |
| N1 | C5 | C4 | H2 | 59.1° | 60.0° |
| N1 | C5 | H3 | H4 | 118.2° | 120.0° |
| C5 | N1 | C6 | H5 | 170.3° | 150.0° |
| C5 | N1 | C6 | H6 | 52.0° | 30.0° |
| C9 | C12 | C17 | C13 | 177.4° | 180.0° |
| C9 | C12 | C17 | C16 | 176.6° | 179.5° |
| C9 | C12 | C13 | C14 | 176.6° | 180.0° |
| C12 | C9 | C8 | H7 | 52.0° | 68.0° |
| C12 | C9 | C8 | H8 | 81.6° | 67.1° |
| C12 | C9 | C10 | H9 | 80.8° | 67.1° |
| C12 | C9 | C10 | H10 | 52.8° | 68.1° |
| C9 | C12 | C13 | H11 | 3.4° | 0.3° |
| C9 | C12 | C17 | H12 | 3.4° | 0.2° |
| C12 | C9 | C11 | H36 | 67.6° | 67.8° |
| C12 | C9 | C11 | H37 | 65.8° | 67.8° |
| C11 | C9 | C12 | C17 | 73.0° | 60.1° |
| C11 | C9 | C12 | C13 | 104.4° | 120.0° |
| C11 | C9 | C8 | H7 | 70.0° | 70.1° |
| C11 | C9 | C8 | H8 | 156.5° | 154.8° |
| C11 | C9 | C10 | H9 | 156.5° | 154.7° |
| C11 | C9 | C10 | H10 | 70.0° | 70.1° |
| C9 | C11 | H36 | H37 | 136.8° | 136.5° |
| C12 | C17 | C16 | H12 | 180.0° | 179.2° |
| C17 | C12 | C13 | C14 | 0.8° | 0.0° |
| C12 | C17 | C16 | C15 | 0.2° | 0.8° |
| C17 | C12 | C13 | H11 | 179.2° | 179.8° |
| C12 | C17 | C16 | H38 | 179.8° | 179.2° |
| C13 | C12 | C17 | C16 | 0.8° | 0.5° |
| C12 | C13 | C14 | H11 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.3° | 0.3° |
| C13 | C12 | C17 | H12 | 179.2° | 179.7° |
| C12 | C13 | C14 | H39 | 179.7° | 179.7° |
| F3 | C32 | C31 | C30 | 179.1° | 180.0° |
| F3 | C32 | C31 | H20 | 0.9° | 0.0° |
| F3 | C32 | C33 | H22 | 0.4° | 0.0° |
| C32 | C31 | C30 | H20 | 180.0° | 180.0° |
| C32 | C31 | C30 | H21 | 179.8° | 180.0° |
| C31 | C32 | C33 | H22 | 179.8° | 179.7° |
| C17 | C16 | C15 | H38 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.4° | 0.5° |
| C17 | C16 | C15 | C18 | 180.0° | 179.5° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C13 | C14 | C15 | H39 | 180.0° | 180.0° |
| C13 | C14 | C15 | C18 | 180.0° | 180.0° |
| C16 | C15 | C18 | F2 | 81.0° | 30.0° |
| C16 | C15 | C14 | C18 | 179.6° | 180.0° |
| C16 | C15 | C18 | F1 | 158.6° | 90.0° |
| C16 | C15 | C18 | F | 39.1° | 150.0° |
| C15 | C16 | C17 | H12 | 179.8° | 180.0° |
| C16 | C15 | C14 | H39 | 179.7° | 180.0° |
| C5 | C4 | N | H1 | 120.7° | 120.0° |
| C5 | C4 | N | H2 | 120.7° | 120.1° |
| C5 | C4 | N | C1 | 95.5° | 170.1° |
| C5 | C4 | N | C2 | 51.8° | 66.0° |
| C5 | C4 | H1 | H2 | 117.8° | 120.0° |
| C4 | C5 | H3 | H4 | 118.3° | 120.0° |
| C4 | N | C1 | C2 | 148.7° | 123.9° |
| C4 | N | C2 | C3 | 50.0° | 164.8° |
| C4 | N | C1 | C | 75.4° | 76.0° |
| N | C4 | H1 | H2 | 117.8° | 120.0° |
| N | C4 | C5 | H3 | 59.2° | 60.1° |
| N | C4 | C5 | H4 | 59.6° | 60.0° |
| C4 | N | C2 | H26 | 70.7° | 44.8° |
| C4 | N | C2 | H27 | 170.7° | 75.3° |
| C4 | N | C1 | H31 | 45.4° | 164.1° |
| C4 | N | C1 | H32 | 163.8° | 44.0° |
| F2 | C18 | C15 | C14 | 98.7° | 149.9° |
| F2 | C18 | C15 | F1 | 120.4° | 120.1° |
| F2 | C18 | C15 | F | 120.0° | 120.0° |
| F2 | C18 | F1 | F | 112.7° | 120.0° |
| C14 | C15 | C18 | F1 | 21.8° | 90.0° |
| C14 | C15 | C18 | F | 141.3° | 30.0° |
| C15 | C14 | C13 | H11 | 179.7° | 180.0° |
| C14 | C15 | C16 | H38 | 179.6° | 179.4° |
| C15 | C18 | F1 | F | 123.5° | 120.0° |
| C18 | C15 | C16 | H38 | 0.0° | 0.6° |
| C18 | C15 | C14 | H39 | 0.0° | 0.0° |
| C1 | N | C2 | C3 | 162.7° | 71.3° |
| N | C1 | C | H31 | 120.8° | 120.0° |
| N | C1 | C | H32 | 120.8° | 120.0° |
| C1 | N | C4 | H1 | 25.2° | 70.0° |
| C1 | N | C4 | H2 | 143.8° | 50.0° |
| C1 | N | C2 | H26 | 76.6° | 168.7° |
| C1 | N | C2 | H27 | 42.0° | 48.7° |
| N | C1 | H31 | H32 | 117.6° | 120.1° |
| N | C1 | C | H33 | 180.0° | 67.4° |
| N | C1 | C | H34 | 60.0° | 52.6° |
| N | C1 | C | H35 | 60.0° | 172.7° |
| N | C2 | C3 | H26 | 120.7° | 120.0° |
| N | C2 | C3 | H27 | 120.7° | 120.0° |
| C2 | N | C1 | C | 73.3° | 160.0° |
| C2 | N | C4 | H1 | 172.5° | 54.0° |
| C2 | N | C4 | H2 | 68.9° | 174.0° |
| N | C2 | H26 | H27 | 117.9° | 120.0° |
| N | C2 | C3 | H28 | 180.0° | 57.1° |
| N | C2 | C3 | H29 | 60.0° | 62.9° |
| N | C2 | C3 | H30 | 60.0° | 177.1° |
| C2 | N | C1 | H31 | 165.9° | 40.1° |
| C2 | N | C1 | H32 | 47.5° | 80.0° |
| C3 | C2 | H26 | H27 | 117.9° | 120.0° |
| C2 | C3 | H28 | H29 | 120.0° | 119.9° |
| C2 | C3 | H28 | H30 | 120.0° | 120.0° |
| C2 | C3 | H29 | H30 | 120.0° | 120.0° |
| C | C1 | H31 | H32 | 117.6° | 120.0° |
| C1 | C | H33 | H34 | 120.0° | 120.0° |
| C1 | C | H33 | H35 | 120.0° | 119.9° |
| C1 | C | H34 | H35 | 120.0° | 120.1° |
| H1 | C4 | C5 | H3 | 179.9° | 180.0° |
| H1 | C4 | C5 | H4 | 61.1° | 60.0° |
| H2 | C4 | C5 | H3 | 61.5° | 60.0° |
| H2 | C4 | C5 | H4 | 179.6° | 180.0° |
| H11 | C13 | C14 | H39 | 0.3° | 0.0° |
| H12 | C17 | C16 | H38 | 0.2° | 0.0° |
| H15 | C22 | C23 | H24 | 8.7° | 0.1° |
| H16 | C24 | C23 | H24 | 51.8° | 61.1° |
| H17 | C24 | C23 | H24 | 69.9° | 61.0° |
| H20 | C31 | C30 | H21 | 0.2° | 0.0° |
| H22 | C33 | C34 | H23 | 0.9° | 0.0° |
| H26 | C2 | C3 | H28 | 59.2° | 177.1° |
| H26 | C2 | C3 | H29 | 179.3° | 57.2° |
| H26 | C2 | C3 | H30 | 60.8° | 62.9° |
| H27 | C2 | C3 | H28 | 59.3° | 62.9° |
| H27 | C2 | C3 | H29 | 60.7° | 177.2° |
| H27 | C2 | C3 | H30 | 179.3° | 57.1° |
| H28 | C3 | H29 | H30 | 120.0° | 120.0° |
| H31 | C1 | C | H33 | 59.2° | 172.7° |
| H31 | C1 | C | H34 | 179.2° | 67.3° |
| H31 | C1 | C | H35 | 60.7° | 52.8° |
| H32 | C1 | C | H33 | 59.2° | 52.7° |
| H32 | C1 | C | H34 | 60.8° | 172.6° |
| H32 | C1 | C | H35 | 179.2° | 67.3° |
| H33 | C | H34 | H35 | 120.0° | 120.0° |
