7LW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.47Å | 1.46Å | |
| O3 | C21 | doub | 1.21Å | 1.22Å | |
| C21 | N | sing | 1.36Å | 1.35Å | |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| N | C1 | sing | 1.48Å | 1.47Å | |
| CL | C27 | sing | 1.74Å | 1.73Å | |
| O2 | C18 | doub | 1.21Å | 1.23Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C22 | sing | 1.53Å | 1.54Å | |
| C19 | N4 | sing | 1.48Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C18 | N4 | sing | 1.36Å | 1.34Å | |
| C18 | C17 | sing | 1.51Å | 1.52Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | CL1 | sing | 1.74Å | 1.74Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | N1 | sing | 1.47Å | 1.47Å | |
| C17 | N3 | sing | 1.47Å | 1.46Å | |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C4 | sing | 1.47Å | 1.48Å | |
| O | C6 | doub | 1.21Å | 1.23Å | |
| O1 | C16 | doub | 1.21Å | 1.22Å | |
| N3 | C16 | sing | 1.33Å | 1.37Å | |
| N3 | C15 | sing | 1.39Å | 1.43Å | |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C29 | sing | 1.53Å | 1.53Å | |
| C16 | C7 | sing | 1.50Å | 1.53Å | |
| C15 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C6 | N2 | sing | 1.36Å | 1.34Å | |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | N2 | sing | 1.48Å | 1.46Å | |
| C7 | C8 | sing | 1.52Å | 1.54Å | |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.50Å | 1.51Å | |
| O4 | S | doub | 1.42Å | 1.43Å | |
| C9 | C8 | sing | 1.52Å | 1.54Å | |
| C33 | S | sing | 1.76Å | 1.77Å | |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| S | C36 | sing | 1.81Å | 1.75Å | |
| S | O5 | doub | 1.42Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å | |
| C31 | H22 | sing | 1.08Å | 1.08Å | |
| C32 | H23 | sing | 1.08Å | 1.08Å | |
| C34 | H24 | sing | 1.08Å | 1.08Å | |
| C35 | H25 | sing | 1.08Å | 1.08Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C4 | H31 | sing | 1.09Å | 1.10Å | |
| N1 | H32 | sing | 1.01Å | 1.00Å | |
| C5 | H34 | sing | 1.09Å | 1.10Å | |
| C5 | H35 | sing | 1.09Å | 1.10Å | |
| N2 | H36 | sing | 0.97Å | 1.00Å | |
| C17 | H37 | sing | 1.09Å | 1.10Å | |
| C17 | H38 | sing | 1.09Å | 1.10Å | |
| N4 | H39 | sing | 0.97Å | 1.00Å | |
| C | H40 | sing | 1.09Å | 1.10Å | |
| C | H41 | sing | 1.09Å | 1.10Å | |
| C | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.08Å | 1.08Å | |
| C25 | H44 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C21 | 120.7° | 121.8° |
| C | N | C1 | 116.3° | 121.9° |
| N | C | H40 | 109.5° | 109.5° |
| N | C | H41 | 109.5° | 109.5° |
| N | C | H42 | 109.5° | 109.4° |
| O3 | C21 | N | 121.7° | 120.4° |
| O3 | C21 | C20 | 120.6° | 120.5° |
| N | C21 | C20 | 117.6° | 119.1° |
| C21 | N | C1 | 123.0° | 116.2° |
| C21 | C20 | C19 | 114.3° | 109.4° |
| C21 | C20 | H17 | 108.3° | 109.5° |
| C21 | C20 | H18 | 108.2° | 109.5° |
| N | C1 | C2 | 113.9° | 108.8° |
| N | C1 | H1 | 108.3° | 109.6° |
| N | C1 | H2 | 108.4° | 109.7° |
| CL | C27 | C28 | 118.7° | 120.0° |
| CL | C27 | C26 | 121.0° | 120.0° |
| O2 | C18 | N4 | 123.5° | 120.6° |
| O2 | C18 | C17 | 120.8° | 120.7° |
| C20 | C19 | C22 | 111.3° | 109.6° |
| C20 | C19 | N4 | 110.1° | 108.8° |
| C20 | C19 | H16 | 108.2° | 109.6° |
| C19 | C20 | H17 | 108.3° | 109.5° |
| C19 | C20 | H18 | 108.3° | 109.5° |
| C27 | C28 | C23 | 120.5° | 120.0° |
| C28 | C27 | C26 | 120.3° | 119.9° |
| C27 | C28 | H43 | 119.7° | 120.0° |
| C28 | C23 | C22 | 120.1° | 120.0° |
| C28 | C23 | C24 | 118.7° | 120.1° |
| C23 | C28 | H43 | 119.8° | 120.0° |
| C22 | C19 | N4 | 110.0° | 109.6° |
| C19 | C22 | C23 | 114.8° | 109.5° |
| C22 | C19 | H16 | 108.1° | 109.6° |
| C19 | C22 | H19 | 108.1° | 109.5° |
| C19 | C22 | H20 | 108.1° | 109.5° |
| C19 | N4 | C18 | 124.6° | 116.3° |
| N4 | C19 | H16 | 109.1° | 109.6° |
| C19 | N4 | H39 | 117.7° | 121.8° |
| C1 | C2 | C3 | 115.7° | 109.5° |
| C2 | C1 | H1 | 108.4° | 109.6° |
| C2 | C1 | H2 | 108.4° | 109.6° |
| C1 | C2 | H3 | 107.9° | 109.5° |
| C1 | C2 | H4 | 107.9° | 109.5° |
| C27 | C26 | CL1 | 120.9° | 120.0° |
| C27 | C26 | C25 | 119.6° | 120.0° |
| C22 | C23 | C24 | 121.2° | 120.0° |
| C23 | C22 | H19 | 108.1° | 109.5° |
| C23 | C22 | H20 | 108.1° | 109.5° |
| C2 | C3 | N1 | 119.8° | 109.5° |
| C3 | C2 | H3 | 107.9° | 109.4° |
| C3 | C2 | H4 | 107.9° | 109.5° |
| C2 | C3 | H5 | 106.8° | 109.4° |
| C2 | C3 | H6 | 106.8° | 109.5° |
| N4 | C18 | C17 | 115.7° | 118.7° |
| C18 | N4 | H39 | 117.7° | 121.8° |
| C18 | C17 | N3 | 114.6° | 109.5° |
| C18 | C17 | H37 | 108.2° | 109.5° |
| C18 | C17 | H38 | 108.2° | 109.5° |
| C23 | C24 | C25 | 121.1° | 120.1° |
| C23 | C24 | H21 | 119.5° | 120.0° |
| CL1 | C26 | C25 | 119.5° | 120.0° |
| C26 | C25 | C24 | 119.8° | 120.0° |
| C26 | C25 | H44 | 120.1° | 120.0° |
| C3 | N1 | C4 | 119.6° | 111.0° |
| N1 | C3 | H5 | 106.8° | 109.5° |
| N1 | C3 | H6 | 106.8° | 109.4° |
| C3 | N1 | H32 | 106.9° | 111.0° |
| C17 | N3 | C16 | 117.6° | 118.5° |
| C17 | N3 | C15 | 118.8° | 118.1° |
| N3 | C17 | H37 | 108.2° | 109.5° |
| N3 | C17 | H38 | 108.2° | 109.5° |
| C25 | C24 | H21 | 119.5° | 119.9° |
| C24 | C25 | H44 | 120.1° | 120.1° |
| N1 | C4 | C5 | 111.2° | 109.5° |
| N1 | C4 | C29 | 111.2° | 109.5° |
| N1 | C4 | H31 | 107.6° | 109.5° |
| C4 | N1 | H32 | 106.8° | 111.0° |
| O | C6 | C5 | 121.0° | 120.6° |
| O | C6 | N2 | 122.5° | 120.6° |
| O1 | C16 | N3 | 122.1° | 118.9° |
| O1 | C16 | C7 | 121.0° | 118.9° |
| C16 | N3 | C15 | 123.6° | 123.4° |
| N3 | C16 | C7 | 116.9° | 122.1° |
| N3 | C15 | C14 | 119.2° | 122.4° |
| N3 | C15 | C10 | 120.2° | 118.4° |
| C15 | C14 | C13 | 119.7° | 120.7° |
| C14 | C15 | C10 | 120.5° | 119.2° |
| C15 | C14 | H15 | 120.2° | 119.7° |
| C14 | C13 | C12 | 120.2° | 119.9° |
| C14 | C13 | H14 | 119.9° | 120.1° |
| C13 | C14 | H15 | 120.2° | 119.7° |
| C5 | C4 | C29 | 112.5° | 109.5° |
| C4 | C5 | C6 | 110.0° | 109.5° |
| C5 | C4 | H31 | 107.0° | 109.5° |
| C4 | C5 | H34 | 109.3° | 109.5° |
| C4 | C5 | H35 | 109.3° | 109.5° |
| C4 | C29 | C30 | 113.9° | 109.5° |
| C4 | C29 | H29 | 108.3° | 109.5° |
| C4 | C29 | H30 | 108.3° | 109.5° |
| C29 | C4 | H31 | 107.0° | 109.5° |
| C16 | C7 | N2 | 111.5° | 108.8° |
| C16 | C7 | C8 | 113.7° | 111.3° |
| C16 | C7 | H7 | 106.2° | 109.8° |
| C15 | C10 | C11 | 118.4° | 120.1° |
| C15 | C10 | C9 | 123.2° | 119.5° |
| C13 | C12 | C11 | 120.1° | 119.9° |
| C13 | C12 | H13 | 119.9° | 120.0° |
| C12 | C13 | H14 | 119.9° | 120.0° |
| C5 | C6 | N2 | 116.4° | 118.8° |
| C6 | C5 | H34 | 109.3° | 109.4° |
| C6 | C5 | H35 | 109.4° | 109.4° |
| C6 | N2 | C7 | 121.9° | 116.4° |
| C6 | N2 | H36 | 119.1° | 121.8° |
| C34 | C35 | C30 | 121.1° | 120.0° |
| C35 | C34 | C33 | 119.2° | 120.0° |
| C35 | C34 | H24 | 120.4° | 120.0° |
| C34 | C35 | H25 | 119.4° | 120.0° |
| C35 | C30 | C29 | 121.0° | 120.0° |
| C35 | C30 | C31 | 118.4° | 120.0° |
| C30 | C35 | H25 | 119.4° | 120.0° |
| C29 | C30 | C31 | 120.6° | 120.0° |
| C30 | C29 | H29 | 108.4° | 109.5° |
| C30 | C29 | H30 | 108.4° | 109.5° |
| C34 | C33 | S | 119.7° | 120.0° |
| C34 | C33 | C32 | 120.7° | 120.0° |
| C33 | C34 | H24 | 120.4° | 120.0° |
| N2 | C7 | C8 | 111.6° | 108.5° |
| N2 | C7 | H7 | 107.1° | 108.6° |
| C7 | N2 | H36 | 119.1° | 121.8° |
| C7 | C8 | C9 | 112.9° | 111.0° |
| C8 | C7 | H7 | 106.2° | 109.7° |
| C7 | C8 | H8 | 108.6° | 109.2° |
| C7 | C8 | H9 | 108.6° | 109.2° |
| C30 | C31 | C32 | 121.2° | 120.0° |
| C30 | C31 | H22 | 119.4° | 120.0° |
| C12 | C11 | C10 | 120.9° | 120.2° |
| C12 | C11 | H12 | 119.5° | 119.8° |
| C11 | C12 | H13 | 119.9° | 120.1° |
| C11 | C10 | C9 | 118.3° | 120.4° |
| C10 | C11 | H12 | 119.5° | 119.9° |
| C10 | C9 | C8 | 113.7° | 110.8° |
| C10 | C9 | H10 | 108.4° | 109.2° |
| C10 | C9 | H11 | 108.4° | 109.1° |
| O4 | S | C33 | 108.2° | 104.3° |
| O4 | S | C36 | 108.8° | 110.6° |
| O4 | S | O5 | 118.0° | 121.1° |
| C9 | C8 | H8 | 108.6° | 109.2° |
| C9 | C8 | H9 | 108.6° | 109.0° |
| C8 | C9 | H10 | 108.4° | 109.3° |
| C8 | C9 | H11 | 108.4° | 109.2° |
| S | C33 | C32 | 119.6° | 120.0° |
| C33 | S | C36 | 104.3° | 104.4° |
| C33 | S | O5 | 108.2° | 104.3° |
| C33 | C32 | C31 | 119.3° | 120.0° |
| C33 | C32 | H23 | 120.3° | 120.0° |
| C32 | C31 | H22 | 119.4° | 120.0° |
| C31 | C32 | H23 | 120.4° | 120.0° |
| C36 | S | O5 | 108.4° | 110.5° |
| S | C36 | H26 | 109.5° | 109.4° |
| S | C36 | H27 | 109.4° | 109.5° |
| S | C36 | H28 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| H8 | C8 | H9 | 109.4° | 109.2° |
| H10 | C9 | H11 | 109.5° | 109.2° |
| H17 | C20 | H18 | 109.5° | 109.4° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H26 | C36 | H27 | 109.4° | 109.5° |
| H26 | C36 | H28 | 109.5° | 109.5° |
| H27 | C36 | H28 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.4° |
| H34 | C5 | H35 | 109.5° | 109.5° |
| H37 | C17 | H38 | 109.5° | 109.5° |
| H40 | C | H41 | 109.4° | 109.6° |
| H40 | C | H42 | 109.4° | 109.4° |
| H41 | C | H42 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C21 | O3 | 44.5° | 179.8° |
| C | N | C21 | C1 | 179.8° | 179.9° |
| C | N | C21 | C20 | 134.1° | 0.2° |
| C | N | C1 | C2 | 102.1° | 77.5° |
| C | N | C1 | H1 | 18.6° | 42.3° |
| C | N | C1 | H2 | 137.3° | 162.5° |
| N | C | H40 | H41 | 120.0° | 120.1° |
| N | C | H40 | H42 | 120.0° | 119.9° |
| N | C | H41 | H42 | 120.0° | 119.9° |
| O3 | C21 | N | C20 | 178.6° | 180.0° |
| O3 | C21 | N | C1 | 135.7° | 0.1° |
| O3 | C21 | C20 | C19 | 27.9° | 23.8° |
| O3 | C21 | C20 | H17 | 148.6° | 143.9° |
| O3 | C21 | C20 | H18 | 92.8° | 96.2° |
| N | C21 | C20 | C19 | 153.5° | 156.1° |
| C21 | N | C1 | C2 | 78.1° | 102.4° |
| C21 | N | C1 | H1 | 161.3° | 137.8° |
| C21 | N | C1 | H2 | 42.6° | 17.5° |
| N | C21 | C20 | H17 | 32.8° | 36.1° |
| N | C21 | C20 | H18 | 85.8° | 83.8° |
| C21 | N | C | H40 | 180.0° | 0.1° |
| C21 | N | C | H41 | 60.0° | 120.1° |
| C21 | N | C | H42 | 60.0° | 120.0° |
| C20 | C21 | N | C1 | 45.7° | 179.9° |
| C21 | C20 | C19 | H17 | 120.7° | 120.0° |
| C21 | C20 | C19 | H18 | 120.7° | 120.0° |
| C21 | C20 | C19 | C22 | 56.8° | 9.0° |
| C21 | C20 | C19 | N4 | 179.0° | 128.9° |
| C21 | C20 | C19 | H16 | 61.8° | 111.3° |
| C21 | C20 | H17 | H18 | 117.8° | 119.9° |
| N | C1 | C2 | H1 | 120.6° | 119.8° |
| N | C1 | C2 | H2 | 120.7° | 120.0° |
| N | C1 | C2 | C3 | 167.1° | 100.1° |
| N | C1 | H1 | H2 | 118.0° | 120.4° |
| N | C1 | C2 | H3 | 72.0° | 139.9° |
| N | C1 | C2 | H4 | 46.2° | 19.9° |
| C1 | N | C | H40 | 0.2° | 180.0° |
| C1 | N | C | H41 | 120.1° | 59.8° |
| C1 | N | C | H42 | 119.8° | 60.1° |
| CL | C27 | C28 | C26 | 178.7° | 179.5° |
| CL | C27 | C28 | C23 | 179.4° | 179.7° |
| CL | C27 | C26 | CL1 | 0.6° | 0.5° |
| CL | C27 | C26 | C25 | 179.2° | 180.0° |
| CL | C27 | C28 | H43 | 0.6° | 0.2° |
| O2 | C18 | N4 | C19 | 2.0° | 0.4° |
| O2 | C18 | N4 | C17 | 179.9° | 180.0° |
| O2 | C18 | C17 | N3 | 172.8° | 10.3° |
| O2 | C18 | C17 | H37 | 52.1° | 109.8° |
| O2 | C18 | C17 | H38 | 66.4° | 130.3° |
| O2 | C18 | N4 | H39 | 178.0° | 179.6° |
| C20 | C19 | C22 | N4 | 122.3° | 119.4° |
| C20 | C19 | C22 | H16 | 118.7° | 120.3° |
| C20 | C19 | N4 | H16 | 118.6° | 119.9° |
| C20 | C19 | C22 | C23 | 175.6° | 177.4° |
| C20 | C19 | N4 | C18 | 77.8° | 91.3° |
| C19 | C20 | H17 | H18 | 117.8° | 120.1° |
| C20 | C19 | C22 | H19 | 63.7° | 62.6° |
| C20 | C19 | C22 | H20 | 54.8° | 57.4° |
| C20 | C19 | N4 | H39 | 102.2° | 88.7° |
| C27 | C28 | C23 | H43 | 180.0° | 180.0° |
| C27 | C28 | C23 | C22 | 179.3° | 180.0° |
| C27 | C28 | C23 | C24 | 2.1° | 0.0° |
| C28 | C27 | C26 | CL1 | 178.1° | 180.0° |
| C28 | C27 | C26 | C25 | 0.6° | 0.5° |
| C28 | C23 | C22 | C19 | 78.5° | 123.6° |
| C23 | C28 | C27 | C26 | 1.9° | 0.2° |
| C28 | C23 | C22 | C24 | 178.5° | 180.0° |
| C28 | C23 | C24 | C25 | 1.1° | 0.1° |
| C28 | C23 | C22 | H19 | 42.3° | 116.4° |
| C28 | C23 | C22 | H20 | 160.7° | 3.6° |
| C28 | C23 | C24 | H21 | 178.9° | 179.7° |
| C22 | C19 | N4 | H16 | 118.4° | 120.3° |
| C19 | C22 | C23 | H19 | 120.8° | 120.0° |
| C19 | C22 | C23 | H20 | 120.8° | 120.0° |
| C22 | C19 | N4 | C18 | 159.2° | 28.5° |
| C19 | C22 | C23 | C24 | 103.0° | 56.4° |
| C22 | C19 | C20 | H17 | 63.9° | 129.0° |
| C22 | C19 | C20 | H18 | 177.5° | 110.9° |
| C19 | C22 | H19 | H20 | 117.5° | 120.0° |
| C22 | C19 | N4 | H39 | 20.8° | 151.5° |
| N4 | C19 | C22 | C23 | 53.3° | 58.0° |
| C19 | N4 | C18 | H39 | 180.0° | 180.0° |
| C19 | N4 | C18 | C17 | 177.9° | 179.5° |
| N4 | C19 | C20 | H17 | 58.3° | 111.1° |
| N4 | C19 | C20 | H18 | 60.3° | 8.9° |
| N4 | C19 | C22 | H19 | 174.1° | 178.0° |
| N4 | C19 | C22 | H20 | 67.5° | 62.0° |
| C1 | C2 | C3 | H3 | 120.9° | 120.0° |
| C1 | C2 | C3 | H4 | 120.9° | 120.0° |
| C1 | C2 | C3 | N1 | 61.4° | 147.0° |
| C2 | C1 | H1 | H2 | 118.0° | 120.3° |
| C1 | C2 | H3 | H4 | 117.2° | 120.0° |
| C1 | C2 | C3 | H5 | 177.2° | 26.9° |
| C1 | C2 | C3 | H6 | 60.1° | 93.0° |
| C27 | C26 | CL1 | C25 | 178.6° | 179.5° |
| C27 | C26 | C25 | C24 | 0.5° | 0.5° |
| C26 | C27 | C28 | H43 | 178.1° | 179.8° |
| C27 | C26 | C25 | H44 | 179.6° | 179.5° |
| C22 | C23 | C24 | C25 | 179.6° | 180.0° |
| C23 | C22 | C19 | H16 | 65.7° | 62.3° |
| C23 | C22 | H19 | H20 | 117.6° | 120.0° |
| C22 | C23 | C24 | H21 | 0.4° | 0.2° |
| C22 | C23 | C28 | H43 | 0.7° | 0.0° |
| C2 | C3 | N1 | H5 | 121.4° | 120.0° |
| C2 | C3 | N1 | H6 | 121.5° | 120.0° |
| C2 | C3 | N1 | C4 | 49.5° | 174.4° |
| C3 | C2 | C1 | H1 | 46.5° | 140.1° |
| C3 | C2 | C1 | H2 | 72.2° | 19.9° |
| C3 | C2 | H3 | H4 | 117.2° | 120.0° |
| C2 | C3 | H5 | H6 | 115.3° | 120.0° |
| C2 | C3 | N1 | H32 | 170.9° | 61.6° |
| N4 | C18 | C17 | N3 | 7.0° | 169.7° |
| C18 | N4 | C19 | H16 | 40.8° | 148.8° |
| N4 | C18 | C17 | H37 | 127.8° | 70.2° |
| N4 | C18 | C17 | H38 | 113.7° | 49.8° |
| C18 | C17 | N3 | H37 | 120.7° | 120.0° |
| C18 | C17 | N3 | H38 | 120.8° | 120.0° |
| C18 | C17 | N3 | C16 | 66.9° | 66.9° |
| C18 | C17 | N3 | C15 | 113.9° | 113.6° |
| C18 | C17 | H37 | H38 | 117.7° | 120.0° |
| C17 | C18 | N4 | H39 | 2.1° | 0.5° |
| C23 | C24 | C25 | C26 | 0.2° | 0.2° |
| C23 | C24 | C25 | H21 | 180.0° | 179.8° |
| C24 | C23 | C22 | H19 | 136.3° | 63.6° |
| C24 | C23 | C22 | H20 | 17.8° | 176.4° |
| C24 | C23 | C28 | H43 | 177.9° | 180.0° |
| C23 | C24 | C25 | H44 | 179.8° | 179.8° |
| CL1 | C26 | C25 | C24 | 179.1° | 180.0° |
| CL1 | C26 | C25 | H44 | 0.9° | 0.0° |
| C26 | C25 | C24 | H44 | 180.0° | 180.0° |
| C26 | C25 | C24 | H21 | 179.8° | 180.0° |
| C3 | N1 | C4 | H32 | 121.4° | 124.0° |
| C3 | N1 | C4 | C5 | 136.9° | 138.2° |
| C3 | N1 | C4 | C29 | 96.9° | 101.8° |
| N1 | C3 | C2 | H3 | 59.5° | 93.0° |
| N1 | C3 | C2 | H4 | 177.7° | 26.9° |
| N1 | C3 | H5 | H6 | 115.3° | 120.0° |
| C3 | N1 | C4 | H31 | 20.0° | 18.2° |
| C17 | N3 | C16 | O1 | 2.1° | 14.5° |
| C17 | N3 | C16 | C15 | 179.1° | 179.4° |
| C17 | N3 | C15 | C14 | 51.0° | 40.6° |
| C17 | N3 | C16 | C7 | 175.2° | 165.5° |
| C17 | N3 | C15 | C10 | 132.0° | 138.0° |
| N3 | C17 | H37 | H38 | 117.7° | 120.0° |
| N1 | C4 | C5 | C29 | 125.5° | 120.0° |
| N1 | C4 | C5 | H31 | 117.3° | 120.0° |
| N1 | C4 | C29 | H31 | 117.3° | 120.0° |
| N1 | C4 | C5 | C6 | 144.2° | 109.9° |
| N1 | C4 | C29 | C30 | 171.6° | 65.0° |
| C4 | N1 | C3 | H5 | 71.9° | 54.4° |
| C4 | N1 | C3 | H6 | 171.0° | 65.5° |
| N1 | C4 | C29 | H29 | 51.0° | 174.9° |
| N1 | C4 | C29 | H30 | 67.7° | 55.0° |
| N1 | C4 | C5 | H34 | 95.7° | 130.1° |
| N1 | C4 | C5 | H35 | 24.1° | 10.1° |
| O | C6 | C5 | C4 | 35.7° | 8.2° |
| O | C6 | C5 | N2 | 179.7° | 180.0° |
| O | C6 | N2 | C7 | 7.2° | 0.1° |
| O | C6 | C5 | H34 | 155.8° | 128.2° |
| O | C6 | C5 | H35 | 84.3° | 111.9° |
| O | C6 | N2 | H36 | 172.8° | 180.0° |
| O1 | C16 | N3 | C7 | 177.3° | 180.0° |
| O1 | C16 | N3 | C15 | 177.1° | 164.9° |
| O1 | C16 | C7 | N2 | 20.9° | 15.6° |
| O1 | C16 | C7 | C8 | 106.4° | 104.0° |
| O1 | C16 | C7 | H7 | 137.3° | 134.3° |
| C16 | N3 | C15 | C14 | 129.9° | 140.0° |
| C16 | N3 | C15 | C10 | 47.1° | 41.4° |
| N3 | C16 | C7 | N2 | 156.5° | 164.4° |
| N3 | C16 | C7 | C8 | 76.3° | 76.0° |
| N3 | C16 | C7 | H7 | 40.1° | 45.7° |
| C16 | N3 | C17 | H37 | 53.8° | 173.1° |
| C16 | N3 | C17 | H38 | 172.3° | 53.1° |
| N3 | C15 | C14 | C10 | 177.0° | 178.5° |
| N3 | C15 | C14 | C13 | 179.7° | 179.6° |
| C15 | N3 | C16 | C7 | 5.6° | 15.1° |
| N3 | C15 | C10 | C11 | 177.4° | 179.8° |
| N3 | C15 | C10 | C9 | 1.8° | 0.6° |
| N3 | C15 | C14 | H15 | 0.3° | 0.5° |
| C15 | N3 | C17 | H37 | 125.4° | 6.4° |
| C15 | N3 | C17 | H38 | 6.9° | 126.4° |
| C15 | C14 | C13 | H15 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 3.1° | 0.2° |
| C14 | C15 | C10 | C11 | 0.5° | 1.2° |
| C14 | C15 | C10 | C9 | 175.1° | 177.9° |
| C15 | C14 | C13 | H14 | 176.9° | 179.8° |
| C13 | C14 | C15 | C10 | 2.7° | 1.0° |
| C14 | C13 | C12 | H14 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 1.2° | 0.5° |
| C14 | C13 | C12 | H13 | 178.8° | 179.5° |
| C5 | C4 | C29 | H31 | 117.2° | 120.0° |
| C4 | C5 | C6 | H34 | 120.1° | 120.0° |
| C4 | C5 | C6 | H35 | 120.0° | 120.0° |
| C4 | C5 | C6 | N2 | 144.5° | 171.8° |
| C5 | C4 | C29 | C30 | 62.9° | 175.0° |
| C5 | C4 | C29 | H29 | 176.5° | 55.0° |
| C5 | C4 | C29 | H30 | 57.8° | 64.9° |
| C5 | C4 | N1 | H32 | 101.7° | 97.8° |
| C4 | C5 | H34 | H35 | 119.7° | 120.1° |
| C29 | C4 | C5 | C6 | 90.2° | 130.1° |
| C4 | C29 | C30 | C35 | 67.3° | 90.3° |
| C4 | C29 | C30 | H29 | 120.7° | 120.1° |
| C4 | C29 | C30 | H30 | 120.6° | 120.0° |
| C4 | C29 | C30 | C31 | 109.4° | 90.0° |
| C4 | C29 | H29 | H30 | 117.9° | 120.0° |
| C29 | C4 | N1 | H32 | 24.5° | 22.2° |
| C29 | C4 | C5 | H34 | 29.9° | 10.2° |
| C29 | C4 | C5 | H35 | 149.7° | 109.9° |
| C16 | C7 | N2 | C6 | 52.6° | 79.6° |
| C16 | C7 | N2 | C8 | 128.4° | 121.3° |
| C16 | C7 | N2 | H7 | 115.8° | 119.5° |
| C16 | C7 | C8 | H7 | 116.4° | 121.7° |
| C16 | C7 | C8 | C9 | 45.0° | 27.9° |
| C16 | C7 | C8 | H8 | 165.5° | 148.3° |
| C16 | C7 | C8 | H9 | 75.5° | 92.3° |
| C16 | C7 | N2 | H36 | 127.4° | 100.5° |
| C15 | C10 | C11 | C12 | 1.4° | 0.5° |
| C15 | C10 | C11 | C9 | 175.8° | 179.1° |
| C15 | C10 | C9 | C8 | 65.4° | 76.8° |
| C15 | C10 | C9 | H10 | 55.2° | 162.8° |
| C15 | C10 | C9 | H11 | 173.9° | 43.5° |
| C15 | C10 | C11 | H12 | 178.7° | 179.4° |
| C10 | C15 | C14 | H15 | 177.3° | 179.0° |
| C13 | C12 | C11 | H13 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 1.0° | 0.3° |
| C13 | C12 | C11 | H12 | 179.0° | 179.8° |
| C12 | C13 | C14 | H15 | 176.9° | 179.9° |
| C5 | C6 | N2 | C7 | 172.5° | 179.9° |
| C6 | C5 | C4 | H31 | 27.0° | 10.1° |
| C6 | C5 | H34 | H35 | 119.8° | 119.9° |
| C5 | C6 | N2 | H36 | 7.5° | 0.1° |
| C6 | N2 | C7 | H36 | 180.0° | 179.9° |
| C6 | N2 | C7 | C8 | 179.0° | 159.1° |
| C6 | N2 | C7 | H7 | 63.2° | 39.9° |
| N2 | C6 | C5 | H34 | 24.4° | 51.8° |
| N2 | C6 | C5 | H35 | 95.4° | 68.2° |
| C34 | C35 | C30 | H25 | 180.0° | 180.0° |
| C34 | C35 | C30 | C29 | 178.6° | 179.7° |
| C35 | C34 | C33 | H24 | 180.0° | 180.0° |
| C34 | C35 | C30 | C31 | 1.9° | 0.0° |
| C35 | C34 | C33 | S | 179.1° | 179.9° |
| C35 | C34 | C33 | C32 | 0.3° | 0.0° |
| C35 | C30 | C29 | C31 | 176.7° | 179.7° |
| C30 | C35 | C34 | C33 | 1.3° | 0.0° |
| C35 | C30 | C31 | C32 | 1.4° | 0.0° |
| C35 | C30 | C31 | H22 | 178.7° | 180.0° |
| C30 | C35 | C34 | H24 | 178.7° | 180.0° |
| C35 | C30 | C29 | H29 | 53.4° | 29.8° |
| C35 | C30 | C29 | H30 | 172.1° | 149.7° |
| C29 | C30 | C31 | C32 | 178.1° | 179.7° |
| C29 | C30 | C31 | H22 | 1.9° | 0.3° |
| C29 | C30 | C35 | H25 | 1.4° | 0.3° |
| C30 | C29 | H29 | H30 | 118.0° | 120.0° |
| C30 | C29 | C4 | H31 | 54.4° | 55.0° |
| C34 | C33 | S | O4 | 8.8° | 26.0° |
| C34 | C33 | S | C32 | 178.8° | 179.9° |
| C34 | C33 | C32 | C31 | 0.2° | 0.0° |
| C34 | C33 | S | C36 | 106.9° | 90.1° |
| C34 | C33 | S | O5 | 137.8° | 153.9° |
| C34 | C33 | C32 | H23 | 179.7° | 179.9° |
| C33 | C34 | C35 | H25 | 178.7° | 180.0° |
| N2 | C7 | C8 | H7 | 116.4° | 118.5° |
| N2 | C7 | C8 | C9 | 172.2° | 147.7° |
| N2 | C7 | C8 | H8 | 67.3° | 91.9° |
| N2 | C7 | C8 | H9 | 51.7° | 27.5° |
| C7 | C8 | C9 | C10 | 37.4° | 55.3° |
| C7 | C8 | C9 | H8 | 120.5° | 120.4° |
| C7 | C8 | C9 | H9 | 120.5° | 120.3° |
| C7 | C8 | H8 | H9 | 118.4° | 119.3° |
| C7 | C8 | C9 | H10 | 83.2° | 175.6° |
| C7 | C8 | C9 | H11 | 158.0° | 65.0° |
| C8 | C7 | N2 | H36 | 1.0° | 20.8° |
| C30 | C31 | C32 | C33 | 0.3° | 0.0° |
| C30 | C31 | C32 | H22 | 180.0° | 180.0° |
| C30 | C31 | C32 | H23 | 179.7° | 179.9° |
| C31 | C30 | C35 | H25 | 178.2° | 180.0° |
| C31 | C30 | C29 | H29 | 130.0° | 149.9° |
| C31 | C30 | C29 | H30 | 11.3° | 30.0° |
| C12 | C11 | C10 | H12 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 177.2° | 178.6° |
| C11 | C12 | C13 | H14 | 178.7° | 179.5° |
| C11 | C10 | C9 | C8 | 110.2° | 104.1° |
| C11 | C10 | C9 | H10 | 129.2° | 16.3° |
| C11 | C10 | C9 | H11 | 10.5° | 135.6° |
| C10 | C11 | C12 | H13 | 179.0° | 179.6° |
| C10 | C9 | C8 | H10 | 120.6° | 120.3° |
| C10 | C9 | C8 | H11 | 120.6° | 120.2° |
| C10 | C9 | C8 | H8 | 83.1° | 65.1° |
| C10 | C9 | C8 | H9 | 158.0° | 175.6° |
| C10 | C9 | H10 | H11 | 118.0° | 119.3° |
| C9 | C10 | C11 | H12 | 2.8° | 1.5° |
| O4 | S | C33 | C36 | 115.7° | 116.1° |
| O4 | S | C33 | O5 | 129.0° | 127.9° |
| O4 | S | C33 | C32 | 170.0° | 153.9° |
| O4 | S | C36 | O5 | 129.5° | 136.8° |
| O4 | S | C36 | H26 | 180.0° | 68.4° |
| O4 | S | C36 | H27 | 60.0° | 171.6° |
| O4 | S | C36 | H28 | 60.0° | 51.6° |
| C9 | C8 | C7 | H7 | 71.4° | 93.8° |
| C9 | C8 | H8 | H9 | 118.4° | 119.2° |
| C8 | C9 | H10 | H11 | 118.1° | 119.4° |
| S | C33 | C32 | C31 | 178.6° | 179.9° |
| C33 | S | C36 | O5 | 115.2° | 111.6° |
| S | C33 | C32 | H23 | 1.4° | 0.0° |
| S | C33 | C34 | H24 | 0.9° | 0.1° |
| C33 | S | C36 | H26 | 64.7° | 180.0° |
| C33 | S | C36 | H27 | 55.3° | 60.0° |
| C33 | S | C36 | H28 | 175.3° | 60.1° |
| C33 | C32 | C31 | H23 | 180.0° | 179.9° |
| C32 | C33 | S | C36 | 74.3° | 90.0° |
| C32 | C33 | S | O5 | 41.0° | 26.0° |
| C33 | C32 | C31 | H22 | 179.7° | 180.0° |
| C32 | C33 | C34 | H24 | 179.8° | 180.0° |
| S | C36 | H26 | H27 | 120.0° | 120.0° |
| S | C36 | H26 | H28 | 120.0° | 120.0° |
| S | C36 | H27 | H28 | 120.0° | 120.0° |
| O5 | S | C36 | H26 | 50.5° | 68.4° |
| O5 | S | C36 | H27 | 170.5° | 51.6° |
| O5 | S | C36 | H28 | 69.5° | 171.6° |
| H1 | C1 | C2 | H3 | 167.4° | 20.1° |
| H1 | C1 | C2 | H4 | 74.4° | 99.9° |
| H2 | C1 | C2 | H3 | 48.7° | 100.1° |
| H2 | C1 | C2 | H4 | 166.9° | 139.9° |
| H3 | C2 | C3 | H5 | 61.9° | 146.9° |
| H3 | C2 | C3 | H6 | 179.0° | 27.0° |
| H4 | C2 | C3 | H5 | 56.3° | 93.1° |
| H4 | C2 | C3 | H6 | 60.8° | 146.9° |
| H5 | C3 | N1 | H32 | 49.5° | 178.4° |
| H6 | C3 | N1 | H32 | 67.6° | 58.4° |
| H7 | C7 | C8 | H8 | 49.1° | 26.6° |
| H7 | C7 | C8 | H9 | 168.0° | 145.9° |
| H7 | C7 | N2 | H36 | 116.8° | 140.0° |
| H8 | C8 | C9 | H10 | 156.3° | 55.2° |
| H8 | C8 | C9 | H11 | 37.5° | 174.6° |
| H9 | C8 | C9 | H10 | 37.3° | 64.1° |
| H9 | C8 | C9 | H11 | 81.4° | 55.4° |
| H12 | C11 | C12 | H13 | 1.0° | 0.3° |
| H13 | C12 | C13 | H14 | 1.3° | 0.6° |
| H14 | C13 | C14 | H15 | 3.1° | 0.1° |
| H16 | C19 | C20 | H17 | 177.5° | 8.7° |
| H16 | C19 | C20 | H18 | 58.9° | 128.8° |
| H16 | C19 | C22 | H19 | 55.0° | 57.7° |
| H16 | C19 | C22 | H20 | 173.5° | 177.7° |
| H16 | C19 | N4 | H39 | 139.2° | 31.2° |
| H21 | C24 | C25 | H44 | 0.2° | 0.0° |
| H22 | C31 | C32 | H23 | 0.3° | 0.1° |
| H24 | C34 | C35 | H25 | 1.3° | 0.0° |
| H26 | C36 | H27 | H28 | 120.0° | 120.0° |
| H29 | C29 | C4 | H31 | 66.3° | 65.0° |
| H30 | C29 | C4 | H31 | 175.0° | 175.1° |
| H31 | C4 | N1 | H32 | 141.4° | 142.2° |
| H31 | C4 | C5 | H34 | 147.1° | 109.8° |
| H31 | C4 | C5 | H35 | 93.1° | 130.1° |
| H40 | C | H41 | H42 | 120.0° | 120.0° |
