N0M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C17 | sing | 1.74Å | 1.73Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | O1 | sing | 1.42Å | 1.45Å | |
| C9 | C8 | sing | 1.52Å | 1.52Å | |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.50Å | 1.53Å | |
| C10 | C8 | sing | 1.51Å | 1.55Å | |
| C12 | C13 | sing | 1.52Å | 1.52Å | |
| O1 | C2 | sing | 1.36Å | 1.37Å | |
| C8 | C14 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.54Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | N1 | sing | 1.44Å | 1.47Å | |
| C1 | N1 | sing | 1.37Å | 1.33Å | |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C20 | sing | 1.42Å | 1.49Å | |
| C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C19 | sing | 1.47Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C19 | N2 | sing | 1.37Å | 1.33Å | |
| C19 | O2 | doub | 1.22Å | 1.23Å | |
| N2 | S1 | sing | 1.67Å | 1.61Å | |
| O4 | S1 | doub | 1.42Å | 1.46Å | |
| C21 | C24 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| S1 | O5 | doub | 1.42Å | 1.51Å | |
| S1 | C28 | sing | 1.82Å | 1.82Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C25 | sing | 1.53Å | 1.56Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C31 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | O3 | sing | 1.43Å | 1.45Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C27 | C30 | sing | 1.53Å | 1.52Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| C6 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| O3 | H26 | sing | 0.97Å | 0.95Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| N2 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C17 | C16 | 120.9° | 120.0° |
| CL1 | C17 | C18 | 119.1° | 120.0° |
| C16 | C17 | C18 | 120.0° | 119.9° |
| C17 | C16 | C15 | 118.7° | 119.6° |
| C17 | C16 | H8 | 120.6° | 120.3° |
| C17 | C18 | C11 | 122.2° | 120.6° |
| C17 | C18 | H7 | 118.9° | 119.7° |
| C16 | C15 | C10 | 121.0° | 120.6° |
| C15 | C16 | H8 | 120.6° | 120.2° |
| C16 | C15 | H9 | 119.5° | 119.7° |
| C18 | C11 | C10 | 118.1° | 119.4° |
| C18 | C11 | C12 | 118.0° | 117.5° |
| C11 | C18 | H7 | 118.9° | 119.7° |
| C15 | C10 | C11 | 119.9° | 120.0° |
| C15 | C10 | C8 | 119.7° | 118.4° |
| C10 | C15 | H9 | 119.5° | 119.7° |
| O1 | C9 | C8 | 112.1° | 111.6° |
| C9 | O1 | C2 | 112.4° | 118.2° |
| O1 | C9 | H12 | 108.8° | 109.0° |
| O1 | C9 | H13 | 108.8° | 109.1° |
| C9 | C8 | C10 | 110.5° | 110.1° |
| C9 | C8 | C14 | 108.4° | 110.5° |
| C9 | C8 | C7 | 107.9° | 109.6° |
| C8 | C9 | H12 | 108.8° | 109.1° |
| C8 | C9 | H13 | 108.8° | 109.1° |
| C10 | C11 | C12 | 123.8° | 123.1° |
| C11 | C10 | C8 | 120.3° | 121.6° |
| C11 | C12 | C13 | 110.7° | 112.6° |
| C11 | C12 | H5 | 109.1° | 108.9° |
| C11 | C12 | H6 | 109.2° | 108.8° |
| C10 | C8 | C14 | 113.1° | 108.8° |
| C10 | C8 | C7 | 110.3° | 109.7° |
| C12 | C13 | C14 | 110.7° | 109.5° |
| C12 | C13 | H3 | 109.2° | 109.5° |
| C12 | C13 | H4 | 109.2° | 109.4° |
| C13 | C12 | H5 | 109.2° | 108.9° |
| C13 | C12 | H6 | 109.2° | 108.8° |
| O1 | C2 | C3 | 113.8° | 121.4° |
| O1 | C2 | C1 | 125.9° | 118.6° |
| C14 | C8 | C7 | 106.4° | 108.1° |
| C8 | C14 | C13 | 113.0° | 107.4° |
| C8 | C14 | H1 | 108.6° | 109.9° |
| C8 | C14 | H2 | 108.6° | 109.9° |
| C8 | C7 | N1 | 114.4° | 108.3° |
| C8 | C7 | H10 | 108.2° | 109.6° |
| C8 | C7 | H11 | 108.2° | 109.7° |
| C13 | C14 | H1 | 108.6° | 109.9° |
| C13 | C14 | H2 | 108.6° | 109.9° |
| C14 | C13 | H3 | 109.2° | 109.5° |
| C14 | C13 | H4 | 109.2° | 109.5° |
| C2 | C3 | C4 | 120.4° | 120.8° |
| C3 | C2 | C1 | 120.3° | 120.0° |
| C2 | C3 | H14 | 119.8° | 119.5° |
| C3 | C4 | C5 | 119.0° | 119.8° |
| C4 | C3 | H14 | 119.8° | 119.6° |
| C3 | C4 | H15 | 120.5° | 120.1° |
| C2 | C1 | N1 | 121.7° | 118.7° |
| C2 | C1 | C6 | 118.9° | 119.1° |
| C4 | C5 | C6 | 120.8° | 119.6° |
| C4 | C5 | C19 | 120.5° | 122.0° |
| C5 | C4 | H15 | 120.5° | 120.2° |
| C7 | N1 | C1 | 121.2° | 114.9° |
| C7 | N1 | C20 | 113.2° | 121.9° |
| N1 | C7 | H10 | 108.2° | 109.7° |
| N1 | C7 | H11 | 108.2° | 109.6° |
| N1 | C1 | C6 | 119.3° | 122.2° |
| C1 | N1 | C20 | 122.4° | 122.3° |
| C1 | C6 | C5 | 120.6° | 120.5° |
| C1 | C6 | H16 | 119.7° | 119.7° |
| N1 | C20 | C21 | 111.0° | 114.1° |
| N1 | C20 | H17 | 109.1° | 108.6° |
| N1 | C20 | H18 | 109.1° | 108.6° |
| C6 | C5 | C19 | 118.7° | 118.1° |
| C5 | C6 | H16 | 119.7° | 119.8° |
| C5 | C19 | N2 | 112.1° | 120.5° |
| C5 | C19 | O2 | 120.6° | 119.7° |
| C20 | C21 | C24 | 114.8° | 113.3° |
| C20 | C21 | C22 | 111.1° | 112.8° |
| C21 | C20 | H17 | 109.1° | 108.5° |
| C21 | C20 | H18 | 109.1° | 108.6° |
| C20 | C21 | H19 | 113.5° | 112.9° |
| N2 | C19 | O2 | 127.0° | 119.7° |
| C19 | N2 | S1 | 120.3° | 114.2° |
| C19 | N2 | H39 | 119.8° | 122.9° |
| N2 | S1 | O4 | 107.5° | 104.6° |
| N2 | S1 | O5 | 107.5° | 104.5° |
| N2 | S1 | C28 | 111.6° | 103.4° |
| S1 | N2 | H39 | 119.9° | 122.9° |
| O4 | S1 | O5 | 111.6° | 121.1° |
| O4 | S1 | C28 | 108.4° | 110.7° |
| C24 | C21 | C22 | 87.5° | 89.9° |
| C21 | C24 | C23 | 87.4° | 90.0° |
| C24 | C21 | H19 | 113.7° | 113.2° |
| C21 | C24 | H20 | 114.7° | 113.1° |
| C21 | C24 | H21 | 114.7° | 113.1° |
| C21 | C22 | C23 | 88.2° | 90.0° |
| C21 | C22 | C25 | 114.4° | 113.1° |
| C22 | C21 | H19 | 113.7° | 112.9° |
| C21 | C22 | H24 | 112.5° | 113.1° |
| O5 | S1 | C28 | 110.2° | 110.7° |
| S1 | C28 | C29 | 110.8° | 109.5° |
| S1 | C28 | C31 | 109.6° | 109.5° |
| S1 | C28 | H35 | 106.3° | 109.5° |
| C24 | C23 | C22 | 87.6° | 90.1° |
| C23 | C24 | H20 | 114.7° | 113.2° |
| C23 | C24 | H21 | 114.7° | 113.2° |
| C24 | C23 | H22 | 114.6° | 113.1° |
| C24 | C23 | H23 | 114.6° | 113.2° |
| C23 | C22 | C25 | 114.9° | 113.3° |
| C22 | C23 | H22 | 114.6° | 113.1° |
| C22 | C23 | H23 | 114.6° | 113.1° |
| C23 | C22 | H24 | 112.6° | 113.3° |
| C22 | C25 | C26 | 116.4° | 109.2° |
| C22 | C25 | O3 | 109.8° | 109.5° |
| C25 | C22 | H24 | 112.2° | 112.4° |
| C22 | C25 | H25 | 106.5° | 109.5° |
| C29 | C28 | C31 | 110.9° | 109.5° |
| C28 | C29 | C30 | 111.4° | 109.5° |
| C28 | C29 | H33 | 109.0° | 109.5° |
| C28 | C29 | H34 | 109.0° | 109.4° |
| C29 | C28 | H35 | 109.5° | 109.5° |
| C31 | C28 | H35 | 109.5° | 109.4° |
| C28 | C31 | H36 | 109.5° | 109.4° |
| C28 | C31 | H37 | 109.5° | 109.5° |
| C28 | C31 | H38 | 109.5° | 109.5° |
| C26 | C25 | O3 | 109.4° | 109.5° |
| C25 | C26 | C27 | 110.2° | 109.5° |
| C26 | C25 | H25 | 106.6° | 109.5° |
| C25 | C26 | H27 | 109.3° | 109.5° |
| C25 | C26 | H28 | 109.3° | 109.5° |
| O3 | C25 | H25 | 107.8° | 109.6° |
| C25 | O3 | H26 | 109.5° | 114.0° |
| C29 | C30 | C27 | 112.6° | 109.3° |
| C29 | C30 | H31 | 108.7° | 109.5° |
| C29 | C30 | H32 | 108.7° | 109.5° |
| C30 | C29 | H33 | 109.0° | 109.5° |
| C30 | C29 | H34 | 109.0° | 109.5° |
| C26 | C27 | C30 | 112.7° | 109.3° |
| C27 | C26 | H27 | 109.3° | 109.5° |
| C27 | C26 | H28 | 109.3° | 109.5° |
| C26 | C27 | H29 | 108.7° | 109.5° |
| C26 | C27 | H30 | 108.7° | 109.5° |
| C30 | C27 | H29 | 108.7° | 109.5° |
| C30 | C27 | H30 | 108.7° | 109.5° |
| C27 | C30 | H31 | 108.7° | 109.5° |
| C27 | C30 | H32 | 108.7° | 109.5° |
| H1 | C14 | H2 | 109.5° | 109.9° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H5 | C12 | H6 | 109.5° | 108.8° |
| H10 | C7 | H11 | 109.5° | 109.8° |
| H12 | C9 | H13 | 109.4° | 108.9° |
| H17 | C20 | H18 | 109.5° | 108.4° |
| H20 | C24 | H21 | 109.5° | 112.5° |
| H22 | C23 | H23 | 109.5° | 112.4° |
| H27 | C26 | H28 | 109.5° | 109.5° |
| H29 | C27 | H30 | 109.4° | 109.6° |
| H31 | C30 | H32 | 109.5° | 109.6° |
| H33 | C29 | H34 | 109.5° | 109.5° |
| H36 | C31 | H37 | 109.4° | 109.5° |
| H36 | C31 | H38 | 109.5° | 109.5° |
| H37 | C31 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C17 | C16 | C18 | 179.8° | 180.0° |
| CL1 | C17 | C16 | C15 | 179.8° | 179.8° |
| CL1 | C17 | C18 | C11 | 179.5° | 179.3° |
| CL1 | C17 | C18 | H7 | 0.5° | 0.7° |
| CL1 | C17 | C16 | H8 | 0.2° | 0.2° |
| C17 | C16 | C15 | H8 | 180.0° | 180.0° |
| C16 | C17 | C18 | C11 | 0.7° | 0.7° |
| C17 | C16 | C15 | C10 | 0.6° | 0.6° |
| C16 | C17 | C18 | H7 | 179.3° | 179.3° |
| C17 | C16 | C15 | H9 | 179.4° | 179.3° |
| C18 | C17 | C16 | C15 | 0.0° | 0.1° |
| C17 | C18 | C11 | H7 | 180.0° | 180.0° |
| C17 | C18 | C11 | C10 | 0.6° | 0.4° |
| C17 | C18 | C11 | C12 | 179.5° | 179.1° |
| C18 | C17 | C16 | H8 | 179.9° | 179.8° |
| C16 | C15 | C10 | H9 | 180.0° | 180.0° |
| C16 | C15 | C10 | C11 | 0.7° | 0.9° |
| C16 | C15 | C10 | C8 | 179.8° | 177.9° |
| C18 | C11 | C10 | C15 | 0.1° | 0.4° |
| C18 | C11 | C10 | C12 | 179.9° | 179.5° |
| C18 | C11 | C10 | C8 | 179.5° | 178.4° |
| C18 | C11 | C12 | C13 | 158.6° | 173.5° |
| C18 | C11 | C12 | H5 | 81.2° | 52.7° |
| C18 | C11 | C12 | H6 | 38.5° | 65.8° |
| C15 | C10 | C8 | C9 | 49.7° | 32.2° |
| C15 | C10 | C11 | C8 | 179.5° | 178.8° |
| C15 | C10 | C11 | C12 | 179.8° | 179.9° |
| C15 | C10 | C8 | C14 | 171.5° | 153.5° |
| C15 | C10 | C8 | C7 | 69.5° | 88.4° |
| C10 | C15 | C16 | H8 | 179.4° | 179.4° |
| O1 | C9 | C8 | H12 | 120.4° | 120.5° |
| O1 | C9 | C8 | H13 | 120.4° | 120.6° |
| O1 | C9 | C8 | C10 | 80.1° | 173.0° |
| O1 | C9 | C8 | C14 | 155.4° | 52.8° |
| O1 | C9 | C8 | C7 | 40.6° | 66.2° |
| C9 | O1 | C2 | C3 | 136.3° | 114.3° |
| C9 | O1 | C2 | C1 | 43.9° | 66.9° |
| O1 | C9 | H12 | H13 | 118.8° | 119.0° |
| C9 | C8 | C10 | C11 | 129.8° | 146.6° |
| C9 | C8 | C10 | C14 | 121.7° | 121.2° |
| C9 | C8 | C10 | C7 | 119.2° | 120.7° |
| C8 | C9 | O1 | C2 | 91.7° | 84.3° |
| C9 | C8 | C14 | C7 | 115.8° | 119.9° |
| C9 | C8 | C14 | C13 | 161.6° | 179.7° |
| C9 | C8 | C7 | N1 | 46.0° | 69.2° |
| C9 | C8 | C14 | H1 | 77.9° | 60.2° |
| C9 | C8 | C14 | H2 | 41.1° | 60.8° |
| C9 | C8 | C7 | H10 | 166.7° | 171.1° |
| C9 | C8 | C7 | H11 | 74.7° | 50.4° |
| C8 | C9 | H12 | H13 | 118.8° | 119.0° |
| C10 | C11 | C12 | C13 | 21.5° | 6.9° |
| C11 | C10 | C8 | C14 | 8.0° | 25.3° |
| C11 | C10 | C8 | C7 | 111.0° | 92.8° |
| C10 | C11 | C12 | H5 | 98.7° | 127.8° |
| C10 | C11 | C12 | H6 | 141.7° | 113.8° |
| C10 | C11 | C18 | H7 | 179.4° | 179.6° |
| C11 | C10 | C15 | H9 | 179.3° | 179.1° |
| C12 | C11 | C10 | C8 | 0.3° | 1.1° |
| C11 | C12 | C13 | H5 | 120.1° | 120.8° |
| C11 | C12 | C13 | H6 | 120.1° | 120.7° |
| C11 | C12 | C13 | C14 | 51.1° | 41.2° |
| C11 | C12 | C13 | H3 | 171.3° | 78.9° |
| C11 | C12 | C13 | H4 | 69.1° | 161.2° |
| C11 | C12 | H5 | H6 | 119.4° | 118.4° |
| C12 | C11 | C18 | H7 | 0.5° | 0.9° |
| C10 | C8 | C14 | C7 | 121.3° | 119.1° |
| C10 | C8 | C14 | C13 | 38.7° | 58.7° |
| C10 | C8 | C7 | N1 | 166.8° | 169.8° |
| C10 | C8 | C14 | H1 | 159.2° | 60.8° |
| C10 | C8 | C14 | H2 | 81.8° | 178.2° |
| C8 | C10 | C15 | H9 | 0.2° | 2.1° |
| C10 | C8 | C7 | H10 | 72.5° | 50.1° |
| C10 | C8 | C7 | H11 | 46.1° | 70.6° |
| C10 | C8 | C9 | H12 | 159.4° | 66.5° |
| C10 | C8 | C9 | H13 | 40.2° | 52.4° |
| C12 | C13 | C14 | C8 | 62.0° | 68.6° |
| C12 | C13 | C14 | H3 | 120.2° | 120.0° |
| C12 | C13 | C14 | H4 | 120.2° | 119.9° |
| C12 | C13 | C14 | H1 | 177.5° | 50.9° |
| C12 | C13 | C14 | H2 | 58.5° | 171.8° |
| C12 | C13 | H3 | H4 | 119.5° | 119.8° |
| C13 | C12 | H5 | H6 | 119.5° | 118.5° |
| O1 | C2 | C3 | C1 | 179.7° | 178.9° |
| O1 | C2 | C3 | C4 | 179.4° | 177.6° |
| O1 | C2 | C1 | N1 | 3.4° | 0.4° |
| O1 | C2 | C1 | C6 | 179.8° | 179.0° |
| C2 | O1 | C9 | H12 | 28.7° | 36.3° |
| C2 | O1 | C9 | H13 | 147.9° | 155.1° |
| O1 | C2 | C3 | H14 | 0.6° | 2.5° |
| C8 | C14 | C13 | H1 | 120.5° | 119.5° |
| C8 | C14 | C13 | H2 | 120.5° | 119.5° |
| C14 | C8 | C7 | N1 | 70.1° | 51.3° |
| C8 | C14 | H1 | H2 | 118.4° | 121.0° |
| C8 | C14 | C13 | H3 | 177.8° | 51.4° |
| C8 | C14 | C13 | H4 | 58.2° | 171.4° |
| C14 | C8 | C7 | H10 | 50.6° | 68.4° |
| C14 | C8 | C7 | H11 | 169.1° | 170.9° |
| C14 | C8 | C9 | H12 | 35.0° | 173.3° |
| C14 | C8 | C9 | H13 | 84.2° | 67.8° |
| C7 | C8 | C14 | C13 | 82.6° | 60.4° |
| C8 | C7 | N1 | H10 | 120.7° | 119.6° |
| C8 | C7 | N1 | H11 | 120.7° | 119.7° |
| C8 | C7 | N1 | C1 | 80.1° | 90.1° |
| C8 | C7 | N1 | C20 | 120.0° | 100.5° |
| C7 | C8 | C14 | H1 | 37.9° | 179.9° |
| C7 | C8 | C14 | H2 | 156.9° | 59.1° |
| C8 | C7 | H10 | H11 | 117.8° | 120.6° |
| C7 | C8 | C9 | H12 | 79.9° | 54.3° |
| C7 | C8 | C9 | H13 | 160.9° | 173.2° |
| C13 | C14 | H1 | H2 | 118.4° | 121.0° |
| C14 | C13 | H3 | H4 | 119.4° | 120.1° |
| C14 | C13 | C12 | H5 | 69.1° | 162.0° |
| C14 | C13 | C12 | H6 | 171.2° | 79.5° |
| C2 | C3 | C4 | H14 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.0° | 0.4° |
| C3 | C2 | C1 | N1 | 176.2° | 178.5° |
| C3 | C2 | C1 | C6 | 0.1° | 0.1° |
| C2 | C3 | C4 | H15 | 179.0° | 179.5° |
| C4 | C3 | C2 | C1 | 0.3° | 1.3° |
| C3 | C4 | C5 | H15 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.4° | 1.8° |
| C3 | C4 | C5 | C19 | 180.0° | 173.4° |
| C2 | C1 | N1 | C7 | 24.3° | 69.9° |
| C2 | C1 | N1 | C6 | 176.3° | 178.5° |
| C2 | C1 | N1 | C20 | 177.7° | 120.8° |
| C2 | C1 | C6 | C5 | 0.2° | 2.3° |
| C1 | C2 | C3 | H14 | 179.7° | 178.7° |
| C2 | C1 | C6 | H16 | 179.8° | 177.7° |
| C4 | C5 | C6 | C1 | 1.0° | 3.1° |
| C4 | C5 | C6 | C19 | 178.7° | 175.3° |
| C4 | C5 | C19 | N2 | 42.2° | 21.0° |
| C4 | C5 | C19 | O2 | 142.9° | 159.1° |
| C5 | C4 | C3 | H14 | 179.0° | 179.5° |
| C4 | C5 | C6 | H16 | 179.0° | 176.8° |
| C7 | N1 | C1 | C20 | 158.0° | 169.3° |
| C7 | N1 | C1 | C6 | 152.1° | 111.6° |
| C7 | N1 | C20 | C21 | 86.3° | 75.2° |
| N1 | C7 | H10 | H11 | 117.8° | 120.6° |
| C7 | N1 | C20 | H17 | 153.5° | 163.7° |
| C7 | N1 | C20 | H18 | 33.9° | 46.0° |
| N1 | C1 | C6 | C5 | 176.7° | 176.3° |
| C1 | N1 | C20 | C21 | 73.3° | 93.4° |
| C1 | N1 | C7 | H10 | 159.2° | 150.2° |
| C1 | N1 | C7 | H11 | 40.6° | 29.5° |
| N1 | C1 | C6 | H16 | 3.3° | 3.8° |
| C1 | N1 | C20 | H17 | 46.9° | 27.8° |
| C1 | N1 | C20 | H18 | 166.4° | 145.4° |
| C6 | C1 | N1 | C20 | 6.0° | 57.7° |
| C1 | C6 | C5 | H16 | 180.0° | 179.9° |
| C1 | C6 | C5 | C19 | 179.6° | 172.2° |
| N1 | C20 | C21 | H17 | 120.2° | 121.2° |
| N1 | C20 | C21 | H18 | 120.2° | 121.2° |
| N1 | C20 | C21 | C24 | 91.9° | 111.8° |
| N1 | C20 | C21 | C22 | 170.8° | 147.9° |
| C20 | N1 | C7 | H10 | 0.7° | 19.1° |
| C20 | N1 | C7 | H11 | 119.3° | 139.8° |
| N1 | C20 | H17 | H18 | 119.3° | 117.8° |
| N1 | C20 | C21 | H19 | 41.2° | 18.4° |
| C6 | C5 | C19 | N2 | 136.4° | 154.2° |
| C6 | C5 | C19 | O2 | 38.5° | 25.7° |
| C6 | C5 | C4 | H15 | 178.6° | 178.3° |
| C5 | C19 | N2 | O2 | 174.5° | 179.9° |
| C5 | C19 | N2 | S1 | 178.7° | 172.3° |
| C19 | C5 | C4 | H15 | 0.0° | 6.5° |
| C19 | C5 | C6 | H16 | 0.3° | 7.9° |
| C5 | C19 | N2 | H39 | 1.3° | 7.6° |
| C20 | C21 | C24 | C22 | 112.2° | 114.9° |
| C20 | C21 | C24 | H19 | 133.0° | 130.1° |
| C20 | C21 | C22 | H19 | 129.5° | 129.4° |
| C20 | C21 | C24 | C23 | 134.8° | 115.5° |
| C20 | C21 | C22 | C23 | 138.7° | 115.9° |
| C20 | C21 | C22 | C25 | 104.7° | 128.6° |
| C21 | C20 | H17 | H18 | 119.3° | 117.7° |
| C20 | C21 | C24 | H20 | 18.8° | 0.1° |
| C20 | C21 | C24 | H21 | 109.2° | 129.2° |
| C20 | C21 | C22 | H24 | 24.9° | 0.5° |
| C19 | N2 | S1 | H39 | 180.0° | 180.0° |
| C19 | N2 | S1 | O4 | 61.5° | 167.8° |
| C19 | N2 | S1 | O5 | 178.2° | 39.6° |
| C19 | N2 | S1 | C28 | 57.3° | 76.2° |
| O2 | C19 | N2 | S1 | 4.2° | 7.6° |
| O2 | C19 | N2 | H39 | 175.8° | 172.4° |
| N2 | S1 | O4 | O5 | 117.6° | 117.3° |
| N2 | S1 | O4 | C28 | 120.9° | 110.7° |
| N2 | S1 | O5 | C28 | 121.9° | 110.7° |
| N2 | S1 | C28 | C29 | 49.4° | 87.0° |
| N2 | S1 | C28 | C31 | 172.2° | 153.1° |
| N2 | S1 | C28 | H35 | 69.5° | 33.1° |
| O4 | S1 | O5 | C28 | 120.5° | 132.0° |
| O4 | S1 | C28 | C29 | 167.7° | 161.6° |
| O4 | S1 | C28 | C31 | 69.5° | 41.6° |
| O4 | S1 | C28 | H35 | 48.8° | 78.4° |
| O4 | S1 | N2 | H39 | 118.5° | 12.2° |
| C24 | C21 | C22 | H19 | 114.8° | 115.3° |
| C21 | C24 | C23 | H20 | 116.0° | 115.3° |
| C21 | C24 | C23 | H21 | 116.0° | 115.3° |
| C24 | C21 | C22 | C23 | 23.0° | 0.6° |
| C24 | C21 | C22 | C25 | 139.5° | 116.0° |
| C24 | C21 | C20 | H17 | 147.9° | 127.0° |
| C24 | C21 | C20 | H18 | 28.4° | 9.4° |
| C21 | C24 | H20 | H21 | 130.5° | 129.6° |
| C21 | C24 | C23 | H22 | 138.9° | 115.9° |
| C21 | C24 | C23 | H23 | 93.3° | 114.7° |
| C24 | C21 | C22 | H24 | 90.8° | 114.8° |
| C21 | C22 | C23 | C25 | 116.2° | 115.2° |
| C21 | C22 | C23 | H24 | 113.7° | 115.2° |
| C21 | C22 | C25 | H24 | 129.8° | 129.5° |
| C21 | C22 | C25 | C26 | 52.0° | 135.1° |
| C21 | C22 | C25 | O3 | 176.9° | 15.2° |
| C22 | C21 | C20 | H17 | 50.6° | 26.7° |
| C22 | C21 | C20 | H18 | 69.0° | 90.9° |
| C22 | C21 | C24 | H20 | 93.4° | 114.8° |
| C22 | C21 | C24 | H21 | 138.7° | 115.9° |
| C21 | C22 | C23 | H22 | 138.9° | 115.9° |
| C21 | C22 | C23 | H23 | 93.2° | 114.8° |
| C21 | C22 | C25 | H25 | 66.7° | 105.0° |
| O5 | S1 | C28 | C29 | 69.9° | 24.4° |
| O5 | S1 | C28 | C31 | 52.9° | 95.6° |
| O5 | S1 | C28 | H35 | 171.2° | 144.4° |
| O5 | S1 | N2 | H39 | 1.8° | 140.4° |
| S1 | C28 | C29 | C31 | 122.0° | 120.0° |
| S1 | C28 | C29 | H35 | 117.0° | 120.0° |
| S1 | C28 | C31 | H35 | 116.3° | 120.0° |
| S1 | C28 | C29 | C30 | 163.5° | 157.4° |
| S1 | C28 | C29 | H33 | 43.2° | 82.6° |
| S1 | C28 | C29 | H34 | 76.3° | 37.4° |
| S1 | C28 | C31 | H36 | 180.0° | 60.0° |
| S1 | C28 | C31 | H37 | 60.0° | 60.0° |
| S1 | C28 | C31 | H38 | 60.0° | 180.0° |
| C28 | S1 | N2 | H39 | 122.7° | 103.8° |
| C24 | C23 | C22 | H22 | 116.1° | 115.3° |
| C24 | C23 | C22 | H23 | 116.1° | 115.4° |
| C24 | C23 | C22 | C25 | 139.0° | 115.8° |
| C23 | C24 | C21 | H19 | 92.2° | 114.4° |
| C23 | C24 | H20 | H21 | 130.5° | 129.8° |
| C24 | C23 | H22 | H23 | 130.4° | 129.7° |
| C24 | C23 | C22 | H24 | 90.8° | 114.6° |
| C23 | C22 | C25 | H24 | 130.3° | 130.0° |
| C23 | C22 | C25 | C26 | 47.9° | 124.4° |
| C23 | C22 | C25 | O3 | 77.0° | 115.7° |
| C23 | C22 | C21 | H19 | 91.9° | 114.7° |
| C22 | C23 | C24 | H20 | 93.2° | 114.7° |
| C22 | C23 | C24 | H21 | 138.8° | 115.9° |
| C22 | C23 | H22 | H23 | 130.4° | 129.6° |
| C23 | C22 | C25 | H25 | 166.6° | 4.5° |
| C22 | C25 | C26 | O3 | 125.1° | 119.9° |
| C22 | C25 | C26 | H25 | 118.6° | 119.9° |
| C22 | C25 | O3 | H25 | 115.6° | 120.2° |
| C22 | C25 | C26 | C27 | 175.7° | 165.0° |
| C25 | C22 | C21 | H19 | 24.7° | 0.8° |
| C25 | C22 | C23 | H22 | 104.9° | 128.9° |
| C25 | C22 | C23 | H23 | 23.0° | 0.4° |
| C22 | C25 | O3 | H26 | 180.0° | 67.2° |
| C22 | C25 | C26 | H27 | 64.2° | 45.0° |
| C22 | C25 | C26 | H28 | 55.6° | 75.0° |
| C29 | C28 | C31 | H35 | 121.0° | 120.0° |
| C28 | C29 | C30 | H33 | 120.3° | 120.0° |
| C28 | C29 | C30 | H34 | 120.3° | 119.9° |
| C28 | C29 | C30 | C27 | 73.6° | 174.3° |
| C28 | C29 | C30 | H31 | 166.0° | 54.4° |
| C28 | C29 | C30 | H32 | 46.9° | 65.8° |
| C28 | C29 | H33 | H34 | 119.1° | 119.9° |
| C29 | C28 | C31 | H36 | 57.3° | 60.0° |
| C29 | C28 | C31 | H37 | 62.7° | 180.0° |
| C29 | C28 | C31 | H38 | 177.3° | 60.0° |
| C31 | C28 | C29 | C30 | 74.5° | 82.6° |
| C31 | C28 | C29 | H33 | 165.2° | 37.4° |
| C31 | C28 | C29 | H34 | 45.8° | 157.4° |
| C28 | C31 | H36 | H37 | 120.0° | 120.0° |
| C28 | C31 | H36 | H38 | 120.0° | 120.0° |
| C28 | C31 | H37 | H38 | 120.0° | 120.0° |
| C26 | C25 | O3 | H25 | 115.6° | 120.1° |
| C25 | C26 | C27 | H27 | 120.1° | 120.0° |
| C25 | C26 | C27 | H28 | 120.1° | 120.0° |
| C25 | C26 | C27 | C30 | 177.1° | 129.9° |
| C26 | C25 | C22 | H24 | 178.3° | 5.6° |
| C26 | C25 | O3 | H26 | 51.2° | 52.5° |
| C25 | C26 | H27 | H28 | 119.6° | 120.0° |
| C25 | C26 | C27 | H29 | 62.4° | 110.2° |
| C25 | C26 | C27 | H30 | 56.6° | 10.0° |
| O3 | C25 | C26 | C27 | 59.2° | 45.0° |
| O3 | C25 | C22 | H24 | 53.3° | 114.3° |
| O3 | C25 | C26 | H27 | 60.9° | 75.0° |
| O3 | C25 | C26 | H28 | 179.3° | 165.0° |
| C29 | C30 | C27 | C26 | 82.3° | 125.0° |
| C29 | C30 | C27 | H31 | 120.5° | 119.9° |
| C29 | C30 | C27 | H32 | 120.5° | 119.9° |
| C29 | C30 | C27 | H29 | 38.2° | 115.0° |
| C29 | C30 | C27 | H30 | 157.2° | 5.1° |
| C29 | C30 | H31 | H32 | 118.6° | 120.1° |
| C30 | C29 | H33 | H34 | 119.1° | 120.1° |
| C30 | C29 | C28 | H35 | 46.5° | 37.3° |
| C26 | C27 | C30 | H29 | 120.5° | 119.9° |
| C26 | C27 | C30 | H30 | 120.5° | 119.9° |
| C27 | C26 | C25 | H25 | 57.1° | 75.1° |
| C27 | C26 | H27 | H28 | 119.7° | 120.0° |
| C26 | C27 | H29 | H30 | 118.6° | 120.1° |
| C26 | C27 | C30 | H31 | 38.1° | 5.1° |
| C26 | C27 | C30 | H32 | 157.2° | 115.1° |
| C30 | C27 | C26 | H27 | 57.0° | 9.9° |
| C30 | C27 | C26 | H28 | 62.8° | 110.1° |
| C30 | C27 | H29 | H30 | 118.5° | 120.1° |
| C27 | C30 | H31 | H32 | 118.6° | 120.1° |
| C27 | C30 | C29 | H33 | 46.7° | 65.6° |
| C27 | C30 | C29 | H34 | 166.2° | 54.4° |
| H1 | C14 | C13 | H3 | 57.3° | 170.9° |
| H1 | C14 | C13 | H4 | 62.4° | 69.1° |
| H2 | C14 | C13 | H3 | 61.7° | 68.1° |
| H2 | C14 | C13 | H4 | 178.7° | 51.9° |
| H3 | C13 | C12 | H5 | 51.1° | 41.9° |
| H3 | C13 | C12 | H6 | 68.6° | 160.4° |
| H4 | C13 | C12 | H5 | 170.8° | 77.9° |
| H4 | C13 | C12 | H6 | 51.1° | 40.5° |
| H8 | C16 | C15 | H9 | 0.6° | 0.6° |
| H14 | C3 | C4 | H15 | 1.1° | 0.5° |
| H17 | C20 | C21 | H19 | 79.0° | 102.7° |
| H18 | C20 | C21 | H19 | 161.4° | 139.7° |
| H19 | C21 | C24 | H20 | 151.8° | 130.2° |
| H19 | C21 | C24 | H21 | 23.8° | 0.9° |
| H19 | C21 | C22 | H24 | 154.4° | 129.9° |
| H20 | C24 | C23 | H22 | 22.9° | 0.7° |
| H20 | C24 | C23 | H23 | 150.7° | 130.0° |
| H21 | C24 | C23 | H22 | 105.1° | 128.8° |
| H21 | C24 | C23 | H23 | 22.7° | 0.6° |
| H22 | C23 | C22 | H24 | 25.3° | 0.7° |
| H23 | C23 | C22 | H24 | 153.1° | 130.0° |
| H24 | C22 | C25 | H25 | 63.1° | 125.5° |
| H25 | C25 | O3 | H26 | 64.4° | 172.7° |
| H25 | C25 | C26 | H27 | 177.2° | 164.9° |
| H25 | C25 | C26 | H28 | 63.0° | 44.9° |
| H27 | C26 | C27 | H29 | 177.5° | 129.8° |
| H27 | C26 | C27 | H30 | 63.5° | 110.0° |
| H28 | C26 | C27 | H29 | 57.7° | 9.8° |
| H28 | C26 | C27 | H30 | 176.7° | 130.0° |
| H29 | C27 | C30 | H31 | 158.6° | 125.0° |
| H29 | C27 | C30 | H32 | 82.3° | 4.9° |
| H30 | C27 | C30 | H31 | 82.4° | 114.8° |
| H30 | C27 | C30 | H32 | 36.7° | 125.0° |
| H31 | C30 | C29 | H33 | 73.7° | 174.4° |
| H31 | C30 | C29 | H34 | 45.7° | 65.5° |
| H32 | C30 | C29 | H33 | 167.2° | 54.3° |
| H32 | C30 | C29 | H34 | 73.4° | 174.3° |
| H33 | C29 | C28 | H35 | 73.8° | 157.4° |
| H34 | C29 | C28 | H35 | 166.8° | 82.6° |
| H35 | C28 | C31 | H36 | 63.7° | 180.0° |
| H35 | C28 | C31 | H37 | 176.3° | 60.0° |
| H35 | C28 | C31 | H38 | 56.3° | 60.0° |
| H36 | C31 | H37 | H38 | 120.0° | 120.0° |
