I7M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C11 | sing | 1.51Å | 1.55Å | |
| C12 | C11 | doub | 1.39Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.54Å | 1.52Å | |
| C19 | C20 | sing | 1.55Å | 1.52Å | |
| C11 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | C13 | sing | 1.51Å | 1.53Å | |
| C16 | N2 | sing | 1.47Å | 1.47Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | N3 | sing | 1.47Å | 1.45Å | |
| C17 | N2 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| C10 | O1 | sing | 1.36Å | 1.39Å | |
| C10 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| O1 | C9 | sing | 1.43Å | 1.42Å | |
| N3 | C21 | sing | 1.34Å | 1.47Å | |
| C14 | N1 | sing | 1.32Å | 1.36Å | Aromatic |
| C14 | O2 | sing | 1.36Å | 1.40Å | |
| C21 | O3 | doub | 1.21Å | 1.19Å | |
| C4 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.52Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.43Å | Aromatic |
| O2 | C15 | sing | 1.43Å | 1.40Å | |
| C9 | C5 | sing | 1.51Å | 1.52Å | |
| C9 | C8 | sing | 1.54Å | 1.47Å | |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.54Å | 1.47Å | |
| C6 | C1 | sing | 1.40Å | 1.46Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.60Å | |
| C1 | C22 | sing | 1.48Å | 1.51Å | |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | CL2 | sing | 1.51Å | 1.53Å | |
| C27 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.48Å | 1.52Å | |
| C28 | O5 | doub | 1.22Å | 1.19Å | |
| C28 | N4 | sing | 1.35Å | 1.45Å | |
| N4 | C29 | sing | 1.39Å | 1.47Å | |
| C29 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | N5 | sing | 1.32Å | 1.36Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.36Å | Aromatic |
| N5 | C33 | doub | 1.32Å | 1.35Å | Aromatic |
| N7 | C36 | sing | 1.47Å | 1.48Å | |
| N7 | C39 | sing | 1.34Å | 1.48Å | |
| O4 | C39 | doub | 1.21Å | 1.19Å | |
| C31 | C32 | doub | 1.39Å | 1.37Å | Aromatic |
| C36 | C35 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.55Å | 1.52Å | |
| C39 | C38 | sing | 1.51Å | 1.54Å | |
| C33 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C34 | sing | 1.51Å | 1.53Å | |
| C35 | N6 | sing | 1.47Å | 1.46Å | |
| N6 | C34 | sing | 1.47Å | 1.46Å | |
| C37 | C38 | sing | 1.55Å | 1.51Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C3 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| C31 | H21 | sing | 1.08Å | 1.08Å | |
| C33 | H22 | sing | 1.08Å | 1.08Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C38 | H29 | sing | 1.09Å | 1.10Å | |
| C7 | H30 | sing | 1.09Å | 1.10Å | |
| C7 | H31 | sing | 1.09Å | 1.10Å | |
| C8 | H32 | sing | 1.09Å | 1.10Å | |
| C8 | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.09Å | 1.10Å | |
| CL1 | H35 | sing | 1.09Å | 1.10Å | |
| CL1 | H36 | sing | 1.09Å | 1.10Å | |
| CL1 | H37 | sing | 1.09Å | 1.10Å | |
| CL2 | H38 | sing | 1.09Å | 1.10Å | |
| CL2 | H39 | sing | 1.09Å | 1.10Å | |
| CL2 | H40 | sing | 1.09Å | 1.10Å | |
| N2 | H41 | sing | 1.01Å | 1.00Å | |
| N3 | H43 | sing | 0.97Å | 1.00Å | |
| N4 | H44 | sing | 0.97Å | 1.00Å | |
| N6 | H45 | sing | 1.01Å | 1.00Å | |
| N7 | H47 | sing | 0.97Å | 1.00Å | |
| C37 | H48 | sing | 1.09Å | 1.10Å | |
| C38 | H49 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C11 | C12 | 120.7° | 120.4° |
| CL1 | C11 | C10 | 122.1° | 120.4° |
| C11 | CL1 | H35 | 109.5° | 109.5° |
| C11 | CL1 | H36 | 109.5° | 109.5° |
| C11 | CL1 | H37 | 109.5° | 109.5° |
| C11 | C12 | C13 | 120.0° | 118.6° |
| C12 | C11 | C10 | 117.2° | 119.2° |
| C11 | C12 | H3 | 120.0° | 120.7° |
| C12 | C13 | C16 | 122.3° | 120.4° |
| C12 | C13 | C14 | 121.8° | 119.2° |
| C13 | C12 | H3 | 120.0° | 120.7° |
| C18 | C19 | C20 | 103.9° | 101.8° |
| C19 | C18 | C17 | 109.9° | 110.3° |
| C19 | C18 | N3 | 108.4° | 105.5° |
| C19 | C18 | H11 | 109.7° | 110.3° |
| C18 | C19 | H12 | 110.9° | 110.9° |
| C18 | C19 | H13 | 110.9° | 111.0° |
| C19 | C20 | C21 | 104.8° | 104.2° |
| C20 | C19 | H12 | 110.8° | 111.0° |
| C20 | C19 | H13 | 110.8° | 111.0° |
| C19 | C20 | H14 | 110.6° | 110.5° |
| C19 | C20 | H15 | 110.6° | 110.5° |
| C11 | C10 | O1 | 118.2° | 119.7° |
| C11 | C10 | N1 | 122.1° | 120.7° |
| C13 | C16 | N2 | 107.9° | 109.5° |
| C16 | C13 | C14 | 115.9° | 120.4° |
| C13 | C16 | H7 | 109.9° | 109.5° |
| C13 | C16 | H8 | 109.9° | 109.4° |
| C16 | N2 | C17 | 108.7° | 111.0° |
| N2 | C16 | H7 | 109.8° | 109.5° |
| N2 | C16 | H8 | 109.8° | 109.5° |
| C16 | N2 | H41 | 109.7° | 111.0° |
| C17 | C18 | N3 | 108.5° | 110.3° |
| C18 | C17 | N2 | 111.0° | 109.5° |
| C18 | C17 | H9 | 109.1° | 109.5° |
| C18 | C17 | H10 | 109.1° | 109.4° |
| C17 | C18 | H11 | 109.6° | 110.2° |
| C18 | N3 | C21 | 108.2° | 111.3° |
| N3 | C18 | H11 | 110.7° | 110.3° |
| C18 | N3 | H43 | 125.9° | 124.3° |
| N2 | C17 | H9 | 109.1° | 109.5° |
| N2 | C17 | H10 | 109.1° | 109.4° |
| C17 | N2 | H41 | 109.7° | 111.0° |
| C13 | C14 | N1 | 119.8° | 120.7° |
| C13 | C14 | O2 | 118.0° | 119.6° |
| C20 | C21 | N3 | 107.7° | 110.1° |
| C20 | C21 | O3 | 126.4° | 125.0° |
| C21 | C20 | H14 | 110.6° | 110.5° |
| C21 | C20 | H15 | 110.6° | 110.5° |
| O1 | C10 | N1 | 119.7° | 119.7° |
| C10 | O1 | C9 | 112.6° | 117.0° |
| C10 | N1 | C14 | 119.1° | 121.6° |
| O1 | C9 | C5 | 100.3° | 110.3° |
| O1 | C9 | C8 | 117.9° | 110.2° |
| O1 | C9 | H34 | 111.5° | 110.4° |
| N3 | C21 | O3 | 125.9° | 124.9° |
| C21 | N3 | H43 | 125.9° | 124.4° |
| N1 | C14 | O2 | 122.2° | 119.7° |
| C14 | O2 | C15 | 111.8° | 117.0° |
| C3 | C4 | C5 | 117.4° | 120.5° |
| C4 | C3 | C2 | 117.2° | 120.1° |
| C3 | C4 | H2 | 121.3° | 119.8° |
| C4 | C3 | H19 | 121.4° | 119.9° |
| C4 | C5 | C9 | 129.2° | 130.4° |
| C4 | C5 | C6 | 123.2° | 119.9° |
| C5 | C4 | H2 | 121.3° | 119.7° |
| C3 | C2 | C1 | 125.5° | 119.8° |
| C3 | C2 | H1 | 117.3° | 120.1° |
| C2 | C3 | H19 | 121.4° | 120.0° |
| O2 | C15 | H4 | 109.5° | 109.5° |
| O2 | C15 | H5 | 109.5° | 109.5° |
| O2 | C15 | H6 | 109.5° | 109.5° |
| C5 | C9 | C8 | 105.4° | 105.2° |
| C9 | C5 | C6 | 107.6° | 109.8° |
| C5 | C9 | H34 | 110.0° | 110.3° |
| C9 | C8 | C7 | 108.7° | 102.4° |
| C9 | C8 | H32 | 109.7° | 110.9° |
| C9 | C8 | H33 | 109.7° | 111.0° |
| C8 | C9 | H34 | 110.7° | 110.4° |
| C5 | C6 | C1 | 117.8° | 119.8° |
| C5 | C6 | C7 | 110.6° | 109.8° |
| C2 | C1 | C6 | 118.9° | 120.0° |
| C2 | C1 | C22 | 118.2° | 120.1° |
| C1 | C2 | H1 | 117.2° | 120.1° |
| C8 | C7 | C6 | 100.3° | 105.1° |
| C8 | C7 | H30 | 111.7° | 110.3° |
| C8 | C7 | H31 | 111.7° | 110.5° |
| C7 | C8 | H32 | 109.7° | 110.9° |
| C7 | C8 | H33 | 109.7° | 110.8° |
| C1 | C6 | C7 | 131.7° | 130.4° |
| C6 | C1 | C22 | 122.8° | 120.0° |
| C6 | C7 | H30 | 111.7° | 110.3° |
| C6 | C7 | H31 | 111.7° | 110.3° |
| C1 | C22 | C23 | 115.7° | 120.0° |
| C1 | C22 | C27 | 122.0° | 120.1° |
| C22 | C23 | C24 | 120.2° | 120.1° |
| C23 | C22 | C27 | 122.1° | 119.9° |
| C22 | C23 | H16 | 119.9° | 120.0° |
| C23 | C24 | C25 | 118.7° | 120.3° |
| C24 | C23 | H16 | 119.9° | 119.9° |
| C23 | C24 | H17 | 120.6° | 119.9° |
| C22 | C27 | CL2 | 122.0° | 120.2° |
| C22 | C27 | C26 | 117.0° | 119.8° |
| C24 | C25 | C26 | 121.2° | 120.1° |
| C25 | C24 | H17 | 120.6° | 119.8° |
| C24 | C25 | H18 | 119.4° | 119.9° |
| CL2 | C27 | C26 | 120.9° | 120.1° |
| C27 | CL2 | H38 | 109.5° | 109.5° |
| C27 | CL2 | H39 | 109.5° | 109.5° |
| C27 | CL2 | H40 | 109.4° | 109.4° |
| C27 | C26 | C25 | 120.7° | 119.7° |
| C27 | C26 | C28 | 121.7° | 120.2° |
| C25 | C26 | C28 | 117.4° | 120.1° |
| C26 | C25 | H18 | 119.4° | 119.9° |
| C26 | C28 | O5 | 115.1° | 119.9° |
| C26 | C28 | N4 | 125.0° | 120.1° |
| O5 | C28 | N4 | 119.9° | 120.0° |
| C28 | N4 | C29 | 123.5° | 120.0° |
| C28 | N4 | H44 | 118.2° | 119.9° |
| N4 | C29 | C30 | 124.0° | 119.7° |
| N4 | C29 | N5 | 116.3° | 119.7° |
| C29 | N4 | H44 | 118.2° | 120.0° |
| C30 | C29 | N5 | 119.7° | 120.6° |
| C29 | C30 | C31 | 119.8° | 119.1° |
| C29 | C30 | H20 | 120.1° | 120.4° |
| C29 | N5 | C33 | 120.7° | 121.7° |
| C30 | C31 | C32 | 119.4° | 118.5° |
| C31 | C30 | H20 | 120.1° | 120.4° |
| C30 | C31 | H21 | 120.3° | 120.8° |
| N5 | C33 | C32 | 119.5° | 120.9° |
| N5 | C33 | H22 | 120.3° | 119.5° |
| C36 | N7 | C39 | 108.9° | 111.3° |
| N7 | C36 | C35 | 108.9° | 110.3° |
| N7 | C36 | C37 | 108.9° | 105.5° |
| N7 | C36 | H27 | 109.8° | 110.3° |
| C36 | N7 | H47 | 125.5° | 124.3° |
| N7 | C39 | O4 | 125.2° | 124.9° |
| N7 | C39 | C38 | 108.2° | 110.1° |
| C39 | N7 | H47 | 125.6° | 124.4° |
| O4 | C39 | C38 | 126.6° | 124.9° |
| C31 | C32 | C33 | 120.8° | 119.3° |
| C31 | C32 | C34 | 121.3° | 120.4° |
| C32 | C31 | H21 | 120.3° | 120.7° |
| C35 | C36 | C37 | 111.2° | 110.3° |
| C36 | C35 | N6 | 109.4° | 109.4° |
| C36 | C35 | H25 | 109.5° | 109.5° |
| C36 | C35 | H26 | 109.5° | 109.4° |
| C35 | C36 | H27 | 108.9° | 110.2° |
| C36 | C37 | C38 | 107.1° | 101.7° |
| C37 | C36 | H27 | 109.2° | 110.2° |
| C36 | C37 | H28 | 110.1° | 110.9° |
| C36 | C37 | H48 | 110.1° | 111.0° |
| C39 | C38 | C37 | 106.9° | 104.2° |
| C39 | C38 | H29 | 110.1° | 110.5° |
| C39 | C38 | H49 | 110.1° | 110.6° |
| C33 | C32 | C34 | 117.9° | 120.3° |
| C32 | C33 | H22 | 120.2° | 119.6° |
| C32 | C34 | N6 | 108.3° | 109.5° |
| C32 | C34 | H23 | 109.8° | 109.5° |
| C32 | C34 | H24 | 109.8° | 109.5° |
| C35 | N6 | C34 | 111.7° | 111.0° |
| N6 | C35 | H25 | 109.5° | 109.5° |
| N6 | C35 | H26 | 109.5° | 109.5° |
| C35 | N6 | H45 | 108.9° | 111.0° |
| N6 | C34 | H23 | 109.8° | 109.5° |
| N6 | C34 | H24 | 109.8° | 109.4° |
| C34 | N6 | H45 | 108.9° | 111.0° |
| C38 | C37 | H28 | 110.1° | 111.0° |
| C37 | C38 | H29 | 110.1° | 110.4° |
| C38 | C37 | H48 | 110.0° | 111.0° |
| C37 | C38 | H49 | 110.1° | 110.5° |
| H4 | C15 | H5 | 109.4° | 109.5° |
| H4 | C15 | H6 | 109.4° | 109.4° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 110.9° |
| H14 | C20 | H15 | 109.5° | 110.5° |
| H23 | C34 | H24 | 109.5° | 109.5° |
| H25 | C35 | H26 | 109.5° | 109.5° |
| H28 | C37 | H48 | 109.5° | 110.9° |
| H29 | C38 | H49 | 109.5° | 110.4° |
| H30 | C7 | H31 | 109.5° | 110.2° |
| H32 | C8 | H33 | 109.5° | 110.7° |
| H35 | CL1 | H36 | 109.5° | 109.4° |
| H35 | CL1 | H37 | 109.5° | 109.5° |
| H36 | CL1 | H37 | 109.5° | 109.5° |
| H38 | CL2 | H39 | 109.5° | 109.4° |
| H38 | CL2 | H40 | 109.5° | 109.5° |
| H39 | CL2 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C11 | C12 | C10 | 179.3° | 180.0° |
| CL1 | C11 | C12 | C13 | 179.7° | 180.0° |
| CL1 | C11 | C10 | O1 | 0.7° | 0.0° |
| CL1 | C11 | C10 | N1 | 179.6° | 179.8° |
| CL1 | C11 | C12 | H3 | 0.3° | 0.1° |
| C11 | CL1 | H35 | H36 | 120.0° | 120.0° |
| C11 | CL1 | H35 | H37 | 120.0° | 120.0° |
| C11 | CL1 | H36 | H37 | 120.0° | 120.0° |
| C11 | C12 | C13 | H3 | 180.0° | 179.9° |
| C11 | C12 | C13 | C16 | 179.3° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C11 | C10 | O1 | 178.5° | 180.0° |
| C12 | C11 | C10 | N1 | 1.1° | 0.2° |
| C12 | C11 | CL1 | H35 | 90.3° | 90.0° |
| C12 | C11 | CL1 | H36 | 149.6° | 30.0° |
| C12 | C11 | CL1 | H37 | 29.6° | 150.0° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C12 | C13 | C16 | C14 | 179.6° | 180.0° |
| C12 | C13 | C16 | N2 | 121.6° | 105.0° |
| C12 | C13 | C14 | N1 | 0.3° | 0.3° |
| C12 | C13 | C14 | O2 | 179.9° | 180.0° |
| C12 | C13 | C16 | H7 | 118.7° | 135.0° |
| C12 | C13 | C16 | H8 | 1.8° | 15.0° |
| C18 | C19 | C20 | H12 | 119.1° | 118.1° |
| C18 | C19 | C20 | H13 | 119.1° | 118.1° |
| C19 | C18 | C17 | N3 | 118.3° | 116.1° |
| C19 | C18 | C17 | H11 | 120.7° | 122.0° |
| C19 | C18 | N3 | H11 | 120.4° | 119.1° |
| C19 | C18 | C17 | N2 | 171.1° | 172.5° |
| C18 | C19 | C20 | C21 | 24.9° | 24.8° |
| C19 | C18 | N3 | C21 | 16.2° | 17.0° |
| C19 | C18 | C17 | H9 | 50.9° | 67.5° |
| C19 | C18 | C17 | H10 | 68.7° | 52.6° |
| C18 | C19 | H12 | H13 | 122.6° | 123.8° |
| C18 | C19 | C20 | H14 | 94.3° | 93.9° |
| C18 | C19 | C20 | H15 | 144.2° | 143.5° |
| C19 | C18 | N3 | H43 | 163.8° | 162.9° |
| C20 | C19 | C18 | C17 | 92.5° | 93.6° |
| C20 | C19 | C18 | N3 | 25.9° | 25.4° |
| C19 | C20 | C21 | H14 | 119.3° | 118.7° |
| C19 | C20 | C21 | H15 | 119.2° | 118.7° |
| C19 | C20 | C21 | N3 | 16.1° | 16.3° |
| C19 | C20 | C21 | O3 | 163.3° | 163.8° |
| C20 | C19 | C18 | H11 | 146.9° | 144.5° |
| C20 | C19 | H12 | H13 | 122.6° | 123.9° |
| C19 | C20 | H14 | H15 | 122.1° | 122.6° |
| C11 | C10 | O1 | N1 | 179.7° | 179.8° |
| C11 | C10 | O1 | C9 | 173.8° | 179.8° |
| C11 | C10 | N1 | C14 | 1.1° | 0.6° |
| C10 | C11 | C12 | H3 | 179.6° | 180.0° |
| C10 | C11 | CL1 | H35 | 90.4° | 90.0° |
| C10 | C11 | CL1 | H36 | 29.6° | 150.0° |
| C10 | C11 | CL1 | H37 | 149.6° | 30.0° |
| C13 | C16 | N2 | H7 | 119.8° | 120.0° |
| C13 | C16 | N2 | H8 | 119.8° | 120.0° |
| C13 | C16 | N2 | C17 | 160.9° | 179.9° |
| C16 | C13 | C14 | N1 | 179.3° | 179.7° |
| C16 | C13 | C14 | O2 | 0.3° | 0.0° |
| C16 | C13 | C12 | H3 | 0.7° | 0.1° |
| C13 | C16 | H7 | H8 | 120.7° | 120.0° |
| C13 | C16 | N2 | H41 | 41.0° | 56.0° |
| C16 | N2 | C17 | C18 | 129.8° | 180.0° |
| C16 | N2 | C17 | H41 | 119.9° | 123.9° |
| N2 | C16 | C13 | C14 | 58.1° | 75.0° |
| N2 | C16 | H7 | H8 | 120.7° | 120.0° |
| C16 | N2 | C17 | H9 | 9.5° | 60.0° |
| C16 | N2 | C17 | H10 | 110.0° | 60.1° |
| C17 | C18 | N3 | H11 | 120.3° | 121.9° |
| C18 | C17 | N2 | H9 | 120.3° | 120.1° |
| C18 | C17 | N2 | H10 | 120.2° | 119.9° |
| C17 | C18 | N3 | C21 | 103.1° | 102.0° |
| C18 | C17 | H9 | H10 | 119.3° | 120.0° |
| C17 | C18 | C19 | H12 | 26.6° | 24.5° |
| C17 | C18 | C19 | H13 | 148.4° | 148.2° |
| C18 | C17 | N2 | H41 | 9.9° | 56.1° |
| C17 | C18 | N3 | H43 | 76.9° | 78.1° |
| N3 | C18 | C17 | N2 | 70.6° | 56.4° |
| C18 | N3 | C21 | C20 | 0.2° | 0.4° |
| C18 | N3 | C21 | H43 | 180.0° | 179.9° |
| C18 | N3 | C21 | O3 | 179.2° | 179.5° |
| N3 | C18 | C17 | H9 | 169.2° | 176.4° |
| N3 | C18 | C17 | H10 | 49.7° | 63.5° |
| N3 | C18 | C19 | H12 | 145.0° | 143.5° |
| N3 | C18 | C19 | H13 | 93.2° | 92.7° |
| C17 | N2 | C16 | H7 | 79.4° | 60.0° |
| C17 | N2 | C16 | H8 | 41.1° | 60.0° |
| N2 | C17 | H9 | H10 | 119.3° | 120.0° |
| N2 | C17 | C18 | H11 | 50.4° | 65.5° |
| C13 | C14 | N1 | C10 | 0.4° | 0.6° |
| C13 | C14 | N1 | O2 | 179.6° | 179.7° |
| C13 | C14 | O2 | C15 | 175.9° | 180.0° |
| C14 | C13 | C12 | H3 | 179.7° | 179.9° |
| C14 | C13 | C16 | H7 | 61.7° | 45.0° |
| C14 | C13 | C16 | H8 | 177.8° | 165.0° |
| C20 | C21 | N3 | O3 | 179.4° | 179.9° |
| C21 | C20 | C19 | H12 | 144.1° | 142.9° |
| C21 | C20 | C19 | H13 | 94.2° | 93.3° |
| C21 | C20 | H14 | H15 | 122.2° | 122.6° |
| C20 | C21 | N3 | H43 | 179.9° | 179.5° |
| O1 | C10 | N1 | C14 | 178.5° | 179.7° |
| C10 | O1 | C9 | C5 | 178.5° | 150.0° |
| C10 | O1 | C9 | C8 | 67.7° | 94.3° |
| C10 | O1 | C9 | H34 | 62.1° | 27.9° |
| N1 | C10 | O1 | C9 | 5.9° | 0.0° |
| C10 | N1 | C14 | O2 | 179.2° | 179.7° |
| O1 | C9 | C5 | C4 | 39.6° | 44.0° |
| O1 | C9 | C5 | C8 | 123.0° | 118.8° |
| O1 | C9 | C5 | H34 | 117.6° | 122.2° |
| O1 | C9 | C8 | H34 | 130.2° | 122.2° |
| O1 | C9 | C5 | C6 | 138.8° | 136.1° |
| O1 | C9 | C8 | C7 | 138.1° | 145.3° |
| O1 | C9 | C8 | H32 | 102.0° | 27.0° |
| O1 | C9 | C8 | H33 | 18.2° | 96.5° |
| C21 | N3 | C18 | H11 | 136.6° | 136.1° |
| N3 | C21 | C20 | H14 | 103.1° | 102.4° |
| N3 | C21 | C20 | H15 | 135.4° | 135.0° |
| N1 | C14 | O2 | C15 | 3.8° | 0.3° |
| C14 | O2 | C15 | H4 | 180.0° | 180.0° |
| C14 | O2 | C15 | H5 | 60.0° | 59.9° |
| C14 | O2 | C15 | H6 | 60.0° | 60.1° |
| O3 | C21 | C20 | H14 | 77.5° | 77.5° |
| O3 | C21 | C20 | H15 | 44.0° | 45.1° |
| O3 | C21 | N3 | H43 | 0.8° | 0.5° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C4 | C3 | C2 | H19 | 180.0° | 179.8° |
| C3 | C4 | C5 | C9 | 179.7° | 179.8° |
| C3 | C4 | C5 | C6 | 1.6° | 0.3° |
| C4 | C3 | C2 | C1 | 1.2° | 0.1° |
| C4 | C3 | C2 | H1 | 178.8° | 180.0° |
| C5 | C4 | C3 | C2 | 0.8° | 0.2° |
| C4 | C5 | C9 | C6 | 178.4° | 180.0° |
| C4 | C5 | C9 | C8 | 162.5° | 162.8° |
| C4 | C5 | C6 | C1 | 2.5° | 0.0° |
| C4 | C5 | C6 | C7 | 179.0° | 180.0° |
| C5 | C4 | C3 | H19 | 179.3° | 180.0° |
| C4 | C5 | C9 | H34 | 78.0° | 78.2° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 2.2° | 0.3° |
| C3 | C2 | C1 | C22 | 178.9° | 180.0° |
| C2 | C3 | C4 | H2 | 179.2° | 179.9° |
| O2 | C15 | H4 | H5 | 120.0° | 120.1° |
| O2 | C15 | H4 | H6 | 120.0° | 120.0° |
| O2 | C15 | H5 | H6 | 120.0° | 120.0° |
| C5 | C9 | C8 | H34 | 119.0° | 118.9° |
| C5 | C9 | C8 | C7 | 27.3° | 26.4° |
| C9 | C5 | C6 | C1 | 179.0° | 180.0° |
| C9 | C5 | C6 | C7 | 0.5° | 0.0° |
| C9 | C5 | C4 | H2 | 0.3° | 0.1° |
| C5 | C9 | C8 | H32 | 147.2° | 91.9° |
| C5 | C9 | C8 | H33 | 92.6° | 144.6° |
| C8 | C9 | C5 | C6 | 15.9° | 17.2° |
| C9 | C8 | C7 | H32 | 119.9° | 118.3° |
| C9 | C8 | C7 | H33 | 119.9° | 118.4° |
| C9 | C8 | C7 | C6 | 26.0° | 26.4° |
| C9 | C8 | C7 | H30 | 92.5° | 145.3° |
| C9 | C8 | C7 | H31 | 144.5° | 92.6° |
| C9 | C8 | H32 | H33 | 120.4° | 123.6° |
| C5 | C6 | C1 | C2 | 2.7° | 0.3° |
| C5 | C6 | C7 | C8 | 16.3° | 17.2° |
| C5 | C6 | C1 | C7 | 178.2° | 180.0° |
| C5 | C6 | C1 | C22 | 179.2° | 180.0° |
| C6 | C5 | C4 | H2 | 178.4° | 179.9° |
| C5 | C6 | C7 | H30 | 102.2° | 136.1° |
| C5 | C6 | C7 | H31 | 134.7° | 101.9° |
| C6 | C5 | C9 | H34 | 103.6° | 101.8° |
| C2 | C1 | C6 | C22 | 176.5° | 179.7° |
| C2 | C1 | C6 | C7 | 179.1° | 179.7° |
| C2 | C1 | C22 | C23 | 111.9° | 65.3° |
| C2 | C1 | C22 | C27 | 63.2° | 115.0° |
| C1 | C2 | C3 | H19 | 178.8° | 179.7° |
| C8 | C7 | C6 | C1 | 165.5° | 162.8° |
| C8 | C7 | C6 | H30 | 118.5° | 118.9° |
| C8 | C7 | C6 | H31 | 118.5° | 119.1° |
| C8 | C7 | H30 | H31 | 124.2° | 122.3° |
| C7 | C8 | H32 | H33 | 120.3° | 123.4° |
| C7 | C8 | C9 | H34 | 91.7° | 92.6° |
| C6 | C1 | C22 | C23 | 64.7° | 115.1° |
| C6 | C1 | C22 | C27 | 120.3° | 64.7° |
| C6 | C1 | C2 | H1 | 177.8° | 179.7° |
| C1 | C6 | C7 | H30 | 76.0° | 43.9° |
| C1 | C6 | C7 | H31 | 47.0° | 78.1° |
| C7 | C6 | C1 | C22 | 2.6° | 0.1° |
| C6 | C7 | H30 | H31 | 124.3° | 122.0° |
| C6 | C7 | C8 | H32 | 145.9° | 91.9° |
| C6 | C7 | C8 | H33 | 93.9° | 144.8° |
| C1 | C22 | C23 | C27 | 175.0° | 179.8° |
| C1 | C22 | C23 | C24 | 176.3° | 180.0° |
| C1 | C22 | C27 | CL2 | 4.3° | 0.0° |
| C1 | C22 | C27 | C26 | 177.5° | 179.7° |
| C22 | C1 | C2 | H1 | 1.2° | 0.1° |
| C1 | C22 | C23 | H16 | 3.7° | 0.1° |
| C22 | C23 | C24 | H16 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.2° | 0.1° |
| C23 | C22 | C27 | CL2 | 179.0° | 179.7° |
| C23 | C22 | C27 | C26 | 2.8° | 0.5° |
| C22 | C23 | C24 | H17 | 179.8° | 180.0° |
| C24 | C23 | C22 | C27 | 1.3° | 0.2° |
| C23 | C24 | C25 | H17 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.8° | 0.1° |
| C23 | C24 | C25 | H18 | 179.2° | 180.0° |
| C22 | C27 | CL2 | C26 | 178.1° | 179.7° |
| C22 | C27 | C26 | C25 | 3.4° | 0.5° |
| C22 | C27 | C26 | C28 | 177.6° | 179.7° |
| C27 | C22 | C23 | H16 | 178.8° | 179.7° |
| C22 | C27 | CL2 | H38 | 89.1° | 97.2° |
| C22 | C27 | CL2 | H39 | 151.0° | 142.8° |
| C22 | C27 | CL2 | H40 | 31.0° | 22.8° |
| C24 | C25 | C26 | C27 | 2.5° | 0.2° |
| C24 | C25 | C26 | H18 | 180.0° | 179.9° |
| C24 | C25 | C26 | C28 | 177.0° | 180.0° |
| C25 | C24 | C23 | H16 | 179.8° | 180.0° |
| CL2 | C27 | C26 | C25 | 178.4° | 179.8° |
| CL2 | C27 | C26 | C28 | 4.2° | 0.0° |
| C27 | CL2 | H38 | H39 | 120.0° | 120.0° |
| C27 | CL2 | H38 | H40 | 120.0° | 120.0° |
| C27 | CL2 | H39 | H40 | 120.0° | 120.0° |
| C27 | C26 | C25 | C28 | 174.5° | 179.8° |
| C27 | C26 | C28 | O5 | 130.3° | 6.0° |
| C27 | C26 | C28 | N4 | 46.2° | 174.0° |
| C27 | C26 | C25 | H18 | 177.5° | 179.7° |
| C26 | C27 | CL2 | H38 | 89.0° | 82.5° |
| C26 | C27 | CL2 | H39 | 30.9° | 37.5° |
| C26 | C27 | CL2 | H40 | 150.9° | 157.5° |
| C25 | C26 | C28 | O5 | 44.1° | 174.2° |
| C25 | C26 | C28 | N4 | 139.4° | 5.7° |
| C26 | C25 | C24 | H17 | 179.2° | 180.0° |
| C26 | C28 | O5 | N4 | 176.7° | 180.0° |
| C26 | C28 | N4 | C29 | 176.4° | 176.6° |
| C28 | C26 | C25 | H18 | 3.0° | 0.1° |
| C26 | C28 | N4 | H44 | 3.5° | 3.4° |
| O5 | C28 | N4 | C29 | 0.1° | 3.3° |
| O5 | C28 | N4 | H44 | 179.9° | 176.6° |
| C28 | N4 | C29 | H44 | 180.0° | 179.9° |
| C28 | N4 | C29 | C30 | 1.6° | 173.2° |
| C28 | N4 | C29 | N5 | 174.8° | 6.5° |
| N4 | C29 | C30 | N5 | 176.2° | 179.6° |
| N4 | C29 | C30 | C31 | 178.1° | 179.7° |
| N4 | C29 | N5 | C33 | 178.2° | 179.7° |
| N4 | C29 | C30 | H20 | 1.9° | 0.3° |
| C29 | C30 | C31 | H20 | 180.0° | 179.9° |
| C30 | C29 | N5 | C33 | 1.7° | 0.1° |
| C29 | C30 | C31 | C32 | 1.3° | 0.0° |
| C29 | C30 | C31 | H21 | 178.7° | 180.0° |
| C30 | C29 | N4 | H44 | 178.5° | 6.9° |
| N5 | C29 | C30 | C31 | 1.9° | 0.0° |
| C29 | N5 | C33 | C32 | 1.0° | 0.1° |
| N5 | C29 | C30 | H20 | 178.1° | 179.9° |
| C29 | N5 | C33 | H22 | 179.0° | 179.9° |
| N5 | C29 | N4 | H44 | 5.2° | 173.5° |
| C30 | C31 | C32 | H21 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.6° | 0.0° |
| C30 | C31 | C32 | C34 | 179.1° | 180.0° |
| N5 | C33 | C32 | C31 | 0.5° | 0.0° |
| N5 | C33 | C32 | H22 | 180.0° | 180.0° |
| N5 | C33 | C32 | C34 | 179.2° | 179.9° |
| C36 | N7 | C39 | H47 | 180.0° | 179.9° |
| C36 | N7 | C39 | O4 | 179.8° | 179.6° |
| N7 | C36 | C35 | C37 | 120.0° | 116.0° |
| N7 | C36 | C35 | H27 | 119.7° | 122.0° |
| N7 | C36 | C37 | H27 | 119.8° | 119.0° |
| C36 | N7 | C39 | C38 | 0.1° | 0.4° |
| N7 | C36 | C35 | N6 | 17.3° | 59.0° |
| N7 | C36 | C37 | C38 | 2.7° | 25.4° |
| N7 | C36 | C35 | H25 | 102.7° | 179.0° |
| N7 | C36 | C35 | H26 | 137.3° | 61.0° |
| N7 | C36 | C37 | H28 | 122.4° | 92.7° |
| N7 | C36 | C37 | H48 | 116.9° | 143.5° |
| N7 | C39 | O4 | C38 | 179.9° | 180.0° |
| C39 | N7 | C36 | C35 | 119.7° | 136.0° |
| C39 | N7 | C36 | C37 | 1.8° | 17.0° |
| N7 | C39 | C38 | C37 | 1.6° | 16.3° |
| C39 | N7 | C36 | H27 | 121.2° | 102.0° |
| N7 | C39 | C38 | H29 | 121.2° | 134.9° |
| N7 | C39 | C38 | H49 | 118.0° | 102.5° |
| O4 | C39 | C38 | C37 | 178.5° | 163.7° |
| O4 | C39 | C38 | H29 | 58.9° | 45.0° |
| O4 | C39 | N7 | H47 | 0.2° | 0.4° |
| O4 | C39 | C38 | H49 | 61.9° | 77.5° |
| C31 | C32 | C33 | C34 | 179.7° | 180.0° |
| C31 | C32 | C34 | N6 | 83.6° | 90.0° |
| C32 | C31 | C30 | H20 | 178.7° | 180.0° |
| C31 | C32 | C33 | H22 | 179.5° | 180.0° |
| C31 | C32 | C34 | H23 | 156.6° | 150.0° |
| C31 | C32 | C34 | H24 | 36.2° | 29.9° |
| C35 | C36 | C37 | H27 | 120.2° | 121.9° |
| C36 | C35 | N6 | H25 | 120.0° | 120.0° |
| C36 | C35 | N6 | H26 | 120.0° | 120.0° |
| C36 | C35 | N6 | C34 | 176.0° | 180.0° |
| C35 | C36 | C37 | C38 | 117.3° | 144.4° |
| C36 | C35 | H25 | H26 | 120.1° | 120.0° |
| C35 | C36 | C37 | H28 | 2.4° | 26.3° |
| C36 | C35 | N6 | H45 | 55.7° | 56.1° |
| C35 | C36 | N7 | H47 | 60.3° | 43.9° |
| C35 | C36 | C37 | H48 | 123.1° | 97.5° |
| C36 | C37 | C38 | C39 | 2.6° | 24.8° |
| C37 | C36 | C35 | N6 | 102.7° | 175.0° |
| C36 | C37 | C38 | H28 | 119.6° | 118.1° |
| C36 | C37 | C38 | H48 | 119.6° | 118.1° |
| C37 | C36 | C35 | H25 | 137.3° | 65.0° |
| C37 | C36 | C35 | H26 | 17.3° | 55.0° |
| C36 | C37 | H28 | H48 | 121.1° | 123.8° |
| C36 | C37 | C38 | H29 | 122.2° | 143.5° |
| C37 | C36 | N7 | H47 | 178.2° | 162.9° |
| C36 | C37 | C38 | H49 | 117.0° | 94.1° |
| C39 | C38 | C37 | H29 | 119.6° | 118.7° |
| C39 | C38 | C37 | H49 | 119.6° | 118.8° |
| C39 | C38 | C37 | H28 | 122.2° | 93.3° |
| C39 | C38 | H29 | H49 | 121.2° | 122.7° |
| C38 | C39 | N7 | H47 | 179.9° | 179.5° |
| C39 | C38 | C37 | H48 | 117.0° | 142.9° |
| C33 | C32 | C34 | N6 | 96.1° | 90.0° |
| C33 | C32 | C31 | H21 | 179.4° | 180.0° |
| C33 | C32 | C34 | H23 | 23.7° | 30.0° |
| C33 | C32 | C34 | H24 | 144.1° | 150.0° |
| C32 | C34 | N6 | C35 | 90.6° | 180.0° |
| C32 | C34 | N6 | H23 | 119.8° | 120.0° |
| C32 | C34 | N6 | H24 | 119.8° | 120.0° |
| C34 | C32 | C31 | H21 | 0.9° | 0.1° |
| C34 | C32 | C33 | H22 | 0.8° | 0.0° |
| C32 | C34 | H23 | H24 | 120.6° | 120.0° |
| C32 | C34 | N6 | H45 | 149.0° | 56.1° |
| C35 | N6 | C34 | H45 | 120.4° | 123.9° |
| C35 | N6 | C34 | H23 | 149.6° | 60.0° |
| C35 | N6 | C34 | H24 | 29.2° | 60.0° |
| N6 | C35 | H25 | H26 | 120.0° | 120.0° |
| N6 | C35 | C36 | H27 | 137.0° | 63.1° |
| N6 | C34 | H23 | H24 | 120.5° | 120.0° |
| C34 | N6 | C35 | H25 | 64.0° | 60.0° |
| C34 | N6 | C35 | H26 | 56.0° | 60.0° |
| C38 | C37 | C36 | H27 | 122.5° | 93.7° |
| C38 | C37 | H28 | H48 | 121.1° | 123.9° |
| C37 | C38 | H29 | H49 | 121.2° | 122.5° |
| H1 | C2 | C3 | H19 | 1.2° | 0.2° |
| H2 | C4 | C3 | H19 | 0.7° | 0.3° |
| H4 | C15 | H5 | H6 | 119.9° | 119.9° |
| H7 | C16 | N2 | H41 | 160.7° | 176.1° |
| H8 | C16 | N2 | H41 | 78.8° | 64.0° |
| H9 | C17 | C18 | H11 | 69.8° | 54.5° |
| H9 | C17 | N2 | H41 | 110.4° | 64.0° |
| H10 | C17 | C18 | H11 | 170.7° | 174.6° |
| H10 | C17 | N2 | H41 | 130.1° | 176.0° |
| H11 | C18 | C19 | H12 | 94.0° | 97.4° |
| H11 | C18 | C19 | H13 | 27.8° | 26.3° |
| H11 | C18 | N3 | H43 | 43.4° | 43.8° |
| H12 | C19 | C20 | H14 | 24.8° | 24.2° |
| H12 | C19 | C20 | H15 | 96.7° | 98.4° |
| H13 | C19 | C20 | H14 | 146.5° | 148.0° |
| H13 | C19 | C20 | H15 | 25.1° | 25.4° |
| H16 | C23 | C24 | H17 | 0.2° | 0.1° |
| H17 | C24 | C25 | H18 | 0.8° | 0.1° |
| H20 | C30 | C31 | H21 | 1.3° | 0.1° |
| H23 | C34 | N6 | H45 | 29.2° | 63.9° |
| H24 | C34 | N6 | H45 | 91.2° | 176.0° |
| H25 | C35 | C36 | H27 | 17.0° | 56.9° |
| H25 | C35 | N6 | H45 | 175.7° | 176.1° |
| H26 | C35 | C36 | H27 | 103.0° | 177.0° |
| H26 | C35 | N6 | H45 | 64.3° | 63.9° |
| H27 | C36 | C37 | H28 | 117.8° | 148.2° |
| H27 | C36 | N7 | H47 | 58.8° | 78.1° |
| H27 | C36 | C37 | H48 | 2.9° | 24.5° |
| H28 | C37 | C38 | H29 | 118.2° | 25.4° |
| H28 | C37 | C38 | H49 | 2.6° | 147.9° |
| H29 | C38 | C37 | H48 | 2.6° | 98.4° |
| H30 | C7 | C8 | H32 | 27.4° | 27.0° |
| H30 | C7 | C8 | H33 | 147.6° | 96.4° |
| H31 | C7 | C8 | H32 | 95.6° | 149.1° |
| H31 | C7 | C8 | H33 | 24.6° | 25.8° |
| H32 | C8 | C9 | H34 | 28.2° | 149.1° |
| H33 | C8 | C9 | H34 | 148.4° | 25.7° |
| H35 | CL1 | H36 | H37 | 120.0° | 120.0° |
| H38 | CL2 | H39 | H40 | 120.0° | 120.0° |
| H48 | C37 | C38 | H49 | 123.4° | 24.0° |
