7LP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | O9 | sing | 1.43Å | 1.45Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | O4 | sing | 1.43Å | 1.43Å | |
| O5 | C32 | sing | 1.43Å | 1.44Å | |
| O3 | C26 | sing | 1.43Å | 1.43Å | |
| O9 | C30 | sing | 1.43Å | 1.46Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| O4 | C28 | sing | 1.43Å | 1.41Å | |
| C28 | C27 | sing | 1.53Å | 1.59Å | |
| O8 | C29 | sing | 1.43Å | 1.44Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| O7 | C34 | sing | 1.43Å | 1.44Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | O6 | sing | 1.43Å | 1.44Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C27 | N2 | sing | 1.47Å | 1.48Å | |
| O2 | C25 | sing | 1.43Å | 1.43Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| O | C20 | doub | 1.21Å | 1.23Å | |
| N2 | C20 | sing | 1.35Å | 1.36Å | |
| C20 | C1 | sing | 1.51Å | 1.55Å | |
| C23 | C22 | sing | 1.53Å | 1.50Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.55Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C21 | N1 | sing | 1.35Å | 1.35Å | |
| C21 | O1 | doub | 1.21Å | 1.23Å | |
| N1 | C19 | sing | 1.47Å | 1.48Å | |
| C8 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.40Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.50Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| O8 | H23 | sing | 0.97Å | 0.95Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| O7 | H25 | sing | 0.97Å | 0.95Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| O6 | H27 | sing | 0.97Å | 0.95Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| O5 | H29 | sing | 0.97Å | 0.95Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| O3 | H31 | sing | 0.97Å | 0.95Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| O2 | H33 | sing | 0.97Å | 0.95Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| N1 | H40 | sing | 0.97Å | 1.00Å | |
| C19 | H41 | sing | 1.09Å | 1.10Å | |
| C19 | H42 | sing | 1.09Å | 1.10Å | |
| C18 | H43 | sing | 1.09Å | 1.10Å | |
| C18 | H44 | sing | 1.09Å | 1.10Å | |
| C17 | H45 | sing | 1.09Å | 1.10Å | |
| C17 | H46 | sing | 1.09Å | 1.10Å | |
| C16 | H47 | sing | 1.09Å | 1.10Å | |
| C16 | H48 | sing | 1.09Å | 1.10Å | |
| C15 | H49 | sing | 1.09Å | 1.10Å | |
| C15 | H50 | sing | 1.09Å | 1.10Å | |
| C14 | H51 | sing | 1.09Å | 1.10Å | |
| C14 | H52 | sing | 1.09Å | 1.10Å | |
| C8 | H53 | sing | 1.08Å | 1.08Å | |
| C9 | H54 | sing | 1.08Å | 1.08Å | |
| C10 | H55 | sing | 1.08Å | 1.08Å | |
| C11 | H56 | sing | 1.08Å | 1.08Å | |
| C12 | H57 | sing | 1.08Å | 1.08Å | |
| N2 | H58 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C31 | C32 | 109.6° | 109.4° |
| O9 | C31 | O4 | 113.2° | 109.5° |
| C31 | O9 | C30 | 116.1° | 114.1° |
| O9 | C31 | H19 | 109.3° | 109.5° |
| C32 | C31 | O4 | 106.4° | 109.5° |
| C31 | C32 | O5 | 109.1° | 109.5° |
| C31 | C32 | C33 | 109.8° | 109.2° |
| C32 | C31 | H19 | 108.4° | 109.5° |
| C31 | C32 | H28 | 109.0° | 109.5° |
| C31 | O4 | C28 | 116.8° | 114.0° |
| O4 | C31 | H19 | 109.7° | 109.5° |
| O5 | C32 | C33 | 109.9° | 109.5° |
| O5 | C32 | H28 | 110.2° | 109.6° |
| C32 | O5 | H29 | 109.5° | 114.0° |
| O3 | C26 | C27 | 115.6° | 109.4° |
| O3 | C26 | C25 | 111.3° | 109.4° |
| O3 | C26 | H30 | 106.7° | 109.5° |
| C26 | O3 | H31 | 109.5° | 114.0° |
| O9 | C30 | C29 | 107.9° | 109.5° |
| O9 | C30 | C34 | 111.8° | 109.4° |
| O9 | C30 | H20 | 109.9° | 109.4° |
| C32 | C33 | O6 | 108.8° | 109.5° |
| C32 | C33 | C34 | 111.4° | 109.1° |
| C32 | C33 | H26 | 108.3° | 109.6° |
| C33 | C32 | H28 | 108.8° | 109.5° |
| O4 | C28 | C27 | 99.9° | 109.5° |
| O4 | C28 | H17 | 111.8° | 109.5° |
| O4 | C28 | H18 | 111.8° | 109.4° |
| C28 | C27 | C26 | 121.2° | 109.5° |
| C28 | C27 | N2 | 112.3° | 109.5° |
| C28 | C27 | H16 | 93.0° | 109.5° |
| C27 | C28 | H17 | 111.8° | 109.5° |
| C27 | C28 | H18 | 111.8° | 109.4° |
| O8 | C29 | C30 | 105.7° | 109.5° |
| O8 | C29 | H21 | 110.4° | 109.4° |
| O8 | C29 | H22 | 110.4° | 109.5° |
| C29 | O8 | H23 | 109.5° | 114.1° |
| C27 | C26 | C25 | 111.6° | 109.5° |
| C26 | C27 | N2 | 125.6° | 109.5° |
| C26 | C27 | H16 | 93.2° | 109.5° |
| C27 | C26 | H30 | 105.4° | 109.5° |
| C26 | C25 | O2 | 107.7° | 109.4° |
| C26 | C25 | C24 | 112.9° | 109.5° |
| C25 | C26 | H30 | 105.5° | 109.5° |
| C26 | C25 | H32 | 108.1° | 109.5° |
| O7 | C34 | C30 | 109.8° | 109.5° |
| O7 | C34 | C33 | 110.3° | 109.6° |
| O7 | C34 | H24 | 109.3° | 109.5° |
| C34 | O7 | H25 | 109.5° | 114.0° |
| C29 | C30 | C34 | 109.4° | 109.5° |
| C29 | C30 | H20 | 109.1° | 109.5° |
| C30 | C29 | H21 | 110.4° | 109.5° |
| C30 | C29 | H22 | 110.4° | 109.5° |
| C30 | C34 | C33 | 111.6° | 109.2° |
| C34 | C30 | H20 | 108.8° | 109.5° |
| C30 | C34 | H24 | 107.9° | 109.5° |
| O6 | C33 | C34 | 110.4° | 109.5° |
| O6 | C33 | H26 | 109.7° | 109.5° |
| C33 | O6 | H27 | 109.5° | 114.0° |
| C33 | C34 | H24 | 107.9° | 109.5° |
| C34 | C33 | H26 | 108.2° | 109.6° |
| C27 | N2 | C20 | 127.7° | 120.0° |
| N2 | C27 | H16 | 93.3° | 109.4° |
| C27 | N2 | H58 | 116.1° | 119.9° |
| O2 | C25 | C24 | 110.3° | 109.5° |
| O2 | C25 | H32 | 109.5° | 109.4° |
| C25 | O2 | H33 | 109.5° | 114.0° |
| C25 | C24 | C23 | 101.0° | 109.5° |
| C24 | C25 | H32 | 108.3° | 109.5° |
| C25 | C24 | H34 | 111.5° | 109.5° |
| C25 | C24 | H35 | 111.5° | 109.5° |
| C24 | C23 | C22 | 104.8° | 109.4° |
| C23 | C24 | H34 | 111.5° | 109.5° |
| C23 | C24 | H35 | 111.6° | 109.4° |
| C24 | C23 | H36 | 110.6° | 109.5° |
| C24 | C23 | H37 | 110.6° | 109.5° |
| O | C20 | N2 | 124.6° | 120.0° |
| O | C20 | C1 | 119.0° | 120.0° |
| N2 | C20 | C1 | 116.4° | 120.0° |
| C20 | N2 | H58 | 116.1° | 120.0° |
| C20 | C1 | C2 | 111.2° | 109.5° |
| C20 | C1 | H3 | 109.0° | 109.5° |
| C20 | C1 | H4 | 109.0° | 109.5° |
| C23 | C22 | C21 | 108.3° | 109.4° |
| C22 | C23 | H36 | 110.6° | 109.5° |
| C22 | C23 | H37 | 110.6° | 109.5° |
| C23 | C22 | H38 | 109.7° | 109.4° |
| C23 | C22 | H39 | 109.7° | 109.5° |
| C11 | C10 | C9 | 118.5° | 120.0° |
| C10 | C11 | C12 | 120.6° | 120.0° |
| C11 | C10 | H55 | 120.8° | 120.0° |
| C10 | C11 | H56 | 119.7° | 120.0° |
| C10 | C9 | C8 | 122.0° | 120.0° |
| C10 | C9 | H54 | 119.0° | 120.1° |
| C9 | C10 | H55 | 120.8° | 120.0° |
| C11 | C12 | C13 | 120.7° | 120.0° |
| C12 | C11 | H56 | 119.7° | 120.0° |
| C11 | C12 | H57 | 119.6° | 120.0° |
| C22 | C21 | N1 | 117.1° | 120.0° |
| C22 | C21 | O1 | 119.6° | 120.0° |
| C21 | C22 | H38 | 109.8° | 109.5° |
| C21 | C22 | H39 | 109.8° | 109.5° |
| C1 | C2 | C3 | 109.2° | 109.5° |
| C1 | C2 | H1 | 109.6° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.0° | 109.5° |
| C2 | C1 | H4 | 109.0° | 109.5° |
| C9 | C8 | C13 | 119.4° | 120.0° |
| C9 | C8 | H53 | 120.3° | 120.0° |
| C8 | C9 | H54 | 119.0° | 120.0° |
| C12 | C13 | C8 | 118.8° | 120.0° |
| C12 | C13 | C14 | 119.6° | 120.0° |
| C13 | C12 | H57 | 119.7° | 120.0° |
| C2 | C3 | C4 | 106.2° | 109.5° |
| C3 | C2 | H1 | 109.5° | 109.4° |
| C3 | C2 | H2 | 109.5° | 109.5° |
| C2 | C3 | H14 | 110.3° | 109.4° |
| C2 | C3 | H15 | 110.3° | 109.5° |
| N1 | C21 | O1 | 123.1° | 120.0° |
| C21 | N1 | C19 | 121.6° | 120.0° |
| C21 | N1 | H40 | 119.2° | 120.0° |
| N1 | C19 | C18 | 111.9° | 109.4° |
| C19 | N1 | H40 | 119.2° | 120.0° |
| N1 | C19 | H41 | 108.9° | 109.5° |
| N1 | C19 | H42 | 108.9° | 109.5° |
| C8 | C13 | C14 | 121.6° | 120.0° |
| C13 | C8 | H53 | 120.3° | 120.0° |
| C13 | C14 | C15 | 107.3° | 109.4° |
| C13 | C14 | H51 | 110.0° | 109.4° |
| C13 | C14 | H52 | 110.0° | 109.5° |
| C14 | C15 | C16 | 104.2° | 109.4° |
| C14 | C15 | H49 | 110.8° | 109.4° |
| C14 | C15 | H50 | 110.8° | 109.5° |
| C15 | C14 | H51 | 110.0° | 109.5° |
| C15 | C14 | H52 | 110.0° | 109.4° |
| C15 | C16 | C17 | 106.9° | 109.4° |
| C15 | C16 | H47 | 110.1° | 109.5° |
| C15 | C16 | H48 | 110.1° | 109.5° |
| C16 | C15 | H49 | 110.8° | 109.5° |
| C16 | C15 | H50 | 110.7° | 109.5° |
| C3 | C4 | C5 | 112.8° | 109.5° |
| C3 | C4 | H12 | 108.7° | 109.5° |
| C3 | C4 | H13 | 108.6° | 109.4° |
| C4 | C3 | H14 | 110.3° | 109.4° |
| C4 | C3 | H15 | 110.3° | 109.5° |
| C16 | C17 | C18 | 103.2° | 109.5° |
| C16 | C17 | H45 | 111.0° | 109.5° |
| C16 | C17 | H46 | 111.0° | 109.4° |
| C17 | C16 | H47 | 110.1° | 109.5° |
| C17 | C16 | H48 | 110.1° | 109.4° |
| C17 | C18 | C19 | 105.9° | 109.5° |
| C17 | C18 | H43 | 110.4° | 109.5° |
| C17 | C18 | H44 | 110.4° | 109.5° |
| C18 | C17 | H45 | 111.0° | 109.5° |
| C18 | C17 | H46 | 111.0° | 109.5° |
| C18 | C19 | H41 | 108.9° | 109.5° |
| C18 | C19 | H42 | 108.9° | 109.4° |
| C19 | C18 | H43 | 110.3° | 109.5° |
| C19 | C18 | H44 | 110.4° | 109.4° |
| C4 | C5 | C6 | 103.2° | 109.5° |
| C4 | C5 | H10 | 111.0° | 109.5° |
| C4 | C5 | H11 | 111.0° | 109.5° |
| C5 | C4 | H12 | 108.6° | 109.5° |
| C5 | C4 | H13 | 108.6° | 109.5° |
| C5 | C6 | C7 | 105.2° | 109.5° |
| C5 | C6 | H8 | 110.5° | 109.5° |
| C5 | C6 | H9 | 110.5° | 109.5° |
| C6 | C5 | H10 | 111.0° | 109.4° |
| C6 | C5 | H11 | 111.0° | 109.4° |
| C6 | C7 | H5 | 109.5° | 109.4° |
| C6 | C7 | H6 | 109.5° | 109.5° |
| C6 | C7 | H7 | 109.5° | 109.4° |
| C7 | C6 | H8 | 110.5° | 109.5° |
| C7 | C6 | H9 | 110.5° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H5 | C7 | H7 | 109.5° | 109.4° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.5° |
| H12 | C4 | H13 | 109.4° | 109.5° |
| H14 | C3 | H15 | 109.5° | 109.5° |
| H17 | C28 | H18 | 109.5° | 109.5° |
| H21 | C29 | H22 | 109.4° | 109.5° |
| H34 | C24 | H35 | 109.5° | 109.5° |
| H36 | C23 | H37 | 109.5° | 109.4° |
| H38 | C22 | H39 | 109.5° | 109.5° |
| H41 | C19 | H42 | 109.5° | 109.5° |
| H43 | C18 | H44 | 109.5° | 109.5° |
| H45 | C17 | H46 | 109.4° | 109.4° |
| H47 | C16 | H48 | 109.5° | 109.5° |
| H49 | C15 | H50 | 109.5° | 109.5° |
| H51 | C14 | H52 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C31 | C32 | O4 | 122.8° | 120.0° |
| O9 | C31 | C32 | H19 | 119.3° | 120.0° |
| O9 | C31 | O4 | H19 | 122.4° | 120.0° |
| O9 | C31 | C32 | O5 | 179.1° | 177.5° |
| O9 | C31 | C32 | C33 | 58.5° | 57.6° |
| O9 | C31 | O4 | C28 | 52.5° | 70.0° |
| C31 | O9 | C30 | C29 | 173.5° | 178.9° |
| C31 | O9 | C30 | C34 | 53.2° | 61.1° |
| C31 | O9 | C30 | H20 | 67.6° | 58.8° |
| O9 | C31 | C32 | H28 | 60.6° | 62.3° |
| C32 | C31 | O4 | H19 | 117.1° | 120.0° |
| C31 | C32 | O5 | C33 | 120.5° | 119.7° |
| C31 | C32 | O5 | H28 | 119.7° | 120.2° |
| C32 | C31 | O9 | C30 | 59.2° | 61.1° |
| C31 | C32 | C33 | H28 | 119.3° | 119.9° |
| C32 | C31 | O4 | C28 | 173.0° | 170.0° |
| C31 | C32 | C33 | O6 | 177.4° | 176.8° |
| C31 | C32 | C33 | C34 | 55.5° | 57.0° |
| C31 | C32 | C33 | H26 | 63.4° | 63.0° |
| C31 | C32 | O5 | H29 | 180.0° | 60.0° |
| O4 | C31 | C32 | O5 | 56.3° | 57.5° |
| O4 | C31 | O9 | C30 | 59.4° | 58.9° |
| O4 | C31 | C32 | C33 | 64.3° | 62.4° |
| C31 | O4 | C28 | C27 | 174.1° | 180.0° |
| C31 | O4 | C28 | H17 | 67.5° | 60.0° |
| C31 | O4 | C28 | H18 | 55.7° | 60.1° |
| O4 | C31 | C32 | H28 | 176.6° | 177.7° |
| O5 | C32 | C33 | H28 | 120.7° | 120.2° |
| O5 | C32 | C33 | O6 | 62.5° | 63.2° |
| O5 | C32 | C33 | C34 | 175.6° | 176.9° |
| O5 | C32 | C31 | H19 | 61.7° | 62.5° |
| O5 | C32 | C33 | H26 | 56.7° | 57.0° |
| O3 | C26 | C27 | C28 | 63.7° | 54.5° |
| O3 | C26 | C27 | C25 | 128.5° | 120.0° |
| O3 | C26 | C27 | H30 | 117.5° | 120.0° |
| O3 | C26 | C25 | H30 | 115.3° | 120.0° |
| O3 | C26 | C27 | N2 | 128.1° | 174.5° |
| O3 | C26 | C25 | O2 | 64.1° | 180.0° |
| O3 | C26 | C25 | C24 | 58.0° | 60.0° |
| O3 | C26 | C27 | H16 | 31.8° | 65.5° |
| O3 | C26 | C25 | H32 | 177.8° | 60.0° |
| O9 | C30 | C29 | O8 | 57.0° | 65.0° |
| O9 | C30 | C34 | O7 | 75.8° | 62.4° |
| O9 | C30 | C29 | C34 | 121.8° | 119.9° |
| O9 | C30 | C29 | H20 | 119.3° | 120.0° |
| O9 | C30 | C34 | H20 | 121.5° | 119.9° |
| O9 | C30 | C34 | C33 | 46.8° | 57.6° |
| C30 | O9 | C31 | H19 | 177.9° | 178.9° |
| O9 | C30 | C29 | H21 | 62.4° | 175.0° |
| O9 | C30 | C29 | H22 | 176.4° | 55.0° |
| O9 | C30 | C34 | H24 | 165.1° | 177.5° |
| C32 | C33 | C34 | O7 | 72.8° | 63.0° |
| C32 | C33 | C34 | C30 | 49.5° | 57.0° |
| C32 | C33 | O6 | C34 | 122.5° | 119.6° |
| C32 | C33 | O6 | H26 | 118.4° | 120.2° |
| C32 | C33 | C34 | H26 | 119.0° | 120.0° |
| C33 | C32 | C31 | H19 | 177.8° | 177.6° |
| C32 | C33 | C34 | H24 | 167.9° | 176.9° |
| C32 | C33 | O6 | H27 | 180.0° | 60.5° |
| C33 | C32 | O5 | H29 | 59.5° | 179.7° |
| O4 | C28 | C27 | H17 | 118.4° | 120.0° |
| O4 | C28 | C27 | H18 | 118.4° | 119.9° |
| O4 | C28 | C27 | C26 | 70.3° | 55.6° |
| O4 | C28 | C27 | N2 | 99.3° | 64.4° |
| O4 | C28 | C27 | H16 | 165.9° | 175.6° |
| O4 | C28 | H17 | H18 | 124.5° | 120.0° |
| C28 | O4 | C31 | H19 | 69.9° | 50.0° |
| C28 | C27 | C26 | N2 | 168.2° | 120.1° |
| C28 | C27 | C26 | H16 | 95.5° | 120.0° |
| C28 | C27 | C26 | C25 | 167.8° | 174.4° |
| C28 | C27 | N2 | H16 | 94.6° | 120.0° |
| C28 | C27 | N2 | C20 | 44.2° | 85.0° |
| C27 | C28 | H17 | H18 | 124.5° | 120.0° |
| C28 | C27 | C26 | H30 | 53.8° | 65.5° |
| C28 | C27 | N2 | H58 | 135.8° | 95.0° |
| O8 | C29 | C30 | H21 | 119.4° | 120.0° |
| O8 | C29 | C30 | H22 | 119.4° | 120.0° |
| O8 | C29 | C30 | C34 | 178.8° | 175.1° |
| O8 | C29 | C30 | H20 | 62.3° | 55.0° |
| O8 | C29 | H21 | H22 | 121.7° | 119.9° |
| C27 | C26 | C25 | H30 | 113.9° | 120.1° |
| C26 | C27 | N2 | H16 | 96.3° | 120.0° |
| C27 | C26 | C25 | O2 | 165.2° | 60.0° |
| C27 | C26 | C25 | C24 | 72.7° | 180.0° |
| C26 | C27 | N2 | C20 | 146.7° | 155.0° |
| C26 | C27 | C28 | H17 | 171.2° | 64.5° |
| C26 | C27 | C28 | H18 | 48.1° | 175.5° |
| C27 | C26 | O3 | H31 | 180.0° | 55.0° |
| C27 | C26 | C25 | H32 | 47.0° | 59.9° |
| C26 | C27 | N2 | H58 | 33.3° | 25.0° |
| C25 | C26 | C27 | N2 | 0.4° | 65.5° |
| C26 | C25 | O2 | C24 | 123.7° | 120.0° |
| C26 | C25 | O2 | H32 | 117.3° | 119.9° |
| C26 | C25 | C24 | H32 | 119.6° | 120.0° |
| C26 | C25 | C24 | C23 | 161.9° | 175.0° |
| C25 | C26 | C27 | H16 | 96.7° | 54.5° |
| C25 | C26 | O3 | H31 | 51.4° | 65.0° |
| C26 | C25 | O2 | H33 | 180.0° | 60.0° |
| C26 | C25 | C24 | H34 | 43.3° | 55.0° |
| C26 | C25 | C24 | H35 | 79.4° | 65.0° |
| O7 | C34 | C30 | C29 | 43.6° | 57.6° |
| O7 | C34 | C30 | C33 | 122.6° | 120.0° |
| O7 | C34 | C30 | H24 | 119.1° | 120.2° |
| O7 | C34 | C33 | O6 | 48.2° | 56.9° |
| O7 | C34 | C33 | H24 | 119.3° | 120.2° |
| O7 | C34 | C30 | H20 | 162.7° | 177.7° |
| O7 | C34 | C33 | H26 | 168.3° | 177.1° |
| C29 | C30 | C34 | H20 | 119.0° | 120.1° |
| C29 | C30 | C34 | C33 | 166.2° | 177.6° |
| C30 | C29 | H21 | H22 | 121.8° | 120.0° |
| C30 | C29 | O8 | H23 | 180.0° | 180.0° |
| C29 | C30 | C34 | H24 | 75.4° | 62.5° |
| C30 | C34 | C33 | O6 | 170.5° | 176.8° |
| C30 | C34 | C33 | H24 | 118.4° | 119.9° |
| C34 | C30 | C29 | H21 | 59.4° | 55.1° |
| C34 | C30 | C29 | H22 | 61.8° | 64.9° |
| C30 | C34 | O7 | H25 | 180.0° | 180.0° |
| C30 | C34 | C33 | H26 | 69.4° | 63.0° |
| O6 | C33 | C34 | H26 | 120.0° | 120.2° |
| O6 | C33 | C34 | H24 | 71.1° | 63.3° |
| O6 | C33 | C32 | H28 | 58.2° | 57.0° |
| C33 | C34 | C30 | H20 | 74.8° | 62.3° |
| C33 | C34 | O7 | H25 | 56.7° | 60.3° |
| C34 | C33 | O6 | H27 | 57.5° | 180.0° |
| C34 | C33 | C32 | H28 | 63.8° | 62.9° |
| C27 | N2 | C20 | O | 14.3° | 0.0° |
| C27 | N2 | C20 | H58 | 180.0° | 180.0° |
| C27 | N2 | C20 | C1 | 168.2° | 180.0° |
| N2 | C27 | C28 | H17 | 19.1° | 175.5° |
| N2 | C27 | C28 | H18 | 142.3° | 55.5° |
| N2 | C27 | C26 | H30 | 114.4° | 54.6° |
| O2 | C25 | C24 | H32 | 119.8° | 120.0° |
| O2 | C25 | C24 | C23 | 77.5° | 65.0° |
| O2 | C25 | C26 | H30 | 51.3° | 60.0° |
| O2 | C25 | C24 | H34 | 163.8° | 175.0° |
| O2 | C25 | C24 | H35 | 41.1° | 55.0° |
| C25 | C24 | C23 | H34 | 118.6° | 120.1° |
| C25 | C24 | C23 | H35 | 118.6° | 120.0° |
| C25 | C24 | C23 | C22 | 176.9° | 180.0° |
| C24 | C25 | C26 | H30 | 173.3° | 60.0° |
| C24 | C25 | O2 | H33 | 56.3° | 60.0° |
| C25 | C24 | H34 | H35 | 123.9° | 120.0° |
| C25 | C24 | C23 | H36 | 63.8° | 59.9° |
| C25 | C24 | C23 | H37 | 57.7° | 60.0° |
| C24 | C23 | C22 | H36 | 119.3° | 120.0° |
| C24 | C23 | C22 | H37 | 119.2° | 120.0° |
| C24 | C23 | C22 | C21 | 173.0° | 180.0° |
| C23 | C24 | C25 | H32 | 42.3° | 55.0° |
| C23 | C24 | H34 | H35 | 124.0° | 119.9° |
| C24 | C23 | H36 | H37 | 122.2° | 120.0° |
| C24 | C23 | C22 | H38 | 53.1° | 60.0° |
| C24 | C23 | C22 | H39 | 67.2° | 60.0° |
| O | C20 | N2 | C1 | 177.5° | 180.0° |
| O | C20 | C1 | C2 | 81.2° | 0.0° |
| O | C20 | C1 | H3 | 158.6° | 120.0° |
| O | C20 | C1 | H4 | 39.1° | 120.0° |
| O | C20 | N2 | H58 | 165.8° | 180.0° |
| N2 | C20 | C1 | C2 | 96.5° | 180.0° |
| N2 | C20 | C1 | H3 | 23.8° | 60.0° |
| N2 | C20 | C1 | H4 | 143.2° | 60.0° |
| C20 | N2 | C27 | H16 | 50.5° | 35.0° |
| C20 | C1 | C2 | H3 | 120.2° | 120.1° |
| C20 | C1 | C2 | H4 | 120.3° | 120.0° |
| C20 | C1 | C2 | C3 | 171.0° | 180.0° |
| C20 | C1 | C2 | H1 | 51.1° | 60.0° |
| C20 | C1 | C2 | H2 | 69.1° | 60.0° |
| C20 | C1 | H3 | H4 | 119.2° | 120.0° |
| C1 | C20 | N2 | H58 | 11.7° | 0.0° |
| C23 | C22 | C21 | H38 | 119.8° | 120.0° |
| C23 | C22 | C21 | H39 | 119.8° | 120.0° |
| C23 | C22 | C21 | N1 | 103.4° | 180.0° |
| C23 | C22 | C21 | O1 | 81.0° | 0.0° |
| C22 | C23 | C24 | H34 | 58.3° | 60.0° |
| C22 | C23 | C24 | H35 | 64.4° | 60.0° |
| C22 | C23 | H36 | H37 | 122.2° | 120.0° |
| C23 | C22 | H38 | H39 | 120.5° | 120.0° |
| C11 | C10 | C9 | H55 | 180.0° | 179.7° |
| C10 | C11 | C12 | H56 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 0.2° | 0.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.6° |
| C11 | C10 | C9 | H54 | 179.8° | 179.9° |
| C10 | C11 | C12 | H57 | 179.7° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.3° |
| C10 | C9 | C8 | H54 | 180.0° | 179.9° |
| C10 | C9 | C8 | C13 | 0.3° | NaN° |
| C10 | C9 | C8 | H53 | 179.7° | 180.0° |
| C9 | C10 | C11 | H56 | 180.0° | 180.0° |
| C11 | C12 | C13 | H57 | 180.0° | 179.4° |
| C11 | C12 | C13 | C8 | 0.2° | 0.6° |
| C11 | C12 | C13 | C14 | 179.7° | 179.7° |
| C12 | C11 | C10 | H55 | 179.9° | 180.0° |
| C22 | C21 | N1 | O1 | 175.3° | 180.0° |
| C22 | C21 | N1 | C19 | 178.0° | 180.0° |
| C21 | C22 | C23 | H36 | 67.8° | 60.0° |
| C21 | C22 | C23 | H37 | 53.7° | 60.0° |
| C21 | C22 | H38 | H39 | 120.5° | 120.1° |
| C22 | C21 | N1 | H40 | 1.9° | 0.1° |
| C1 | C2 | C3 | H1 | 119.9° | 120.0° |
| C1 | C2 | C3 | H2 | 119.9° | 120.0° |
| C1 | C2 | C3 | C4 | 163.5° | 180.0° |
| C1 | C2 | H1 | H2 | 120.2° | 120.0° |
| C2 | C1 | H3 | H4 | 119.2° | 120.0° |
| C1 | C2 | C3 | H14 | 77.0° | 60.1° |
| C1 | C2 | C3 | H15 | 44.0° | 60.0° |
| C9 | C8 | C13 | C12 | 0.0° | 0.3° |
| C9 | C8 | C13 | H53 | 180.0° | 180.0° |
| C9 | C8 | C13 | C14 | 180.0° | 180.0° |
| C8 | C9 | C10 | H55 | 179.8° | 179.7° |
| C12 | C13 | C8 | C14 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 72.5° | 90.3° |
| C12 | C13 | C14 | H51 | 167.8° | 149.7° |
| C12 | C13 | C14 | H52 | 47.2° | 29.7° |
| C12 | C13 | C8 | H53 | 180.0° | 179.7° |
| C13 | C12 | C11 | H56 | 179.7° | 179.8° |
| C2 | C3 | C4 | H14 | 119.5° | 119.9° |
| C2 | C3 | C4 | H15 | 119.5° | 120.0° |
| C2 | C3 | C4 | C5 | 92.7° | 180.0° |
| C3 | C2 | H1 | H2 | 120.1° | 120.0° |
| C3 | C2 | C1 | H3 | 68.8° | 59.9° |
| C3 | C2 | C1 | H4 | 50.7° | 60.0° |
| C2 | C3 | C4 | H12 | 146.8° | 60.0° |
| C2 | C3 | C4 | H13 | 27.8° | 60.0° |
| C2 | C3 | H14 | H15 | 121.5° | 120.1° |
| C21 | N1 | C19 | H40 | 180.0° | 179.9° |
| C21 | N1 | C19 | C18 | 157.2° | 179.9° |
| N1 | C21 | C22 | H38 | 136.7° | 60.1° |
| N1 | C21 | C22 | H39 | 16.4° | 60.0° |
| C21 | N1 | C19 | H41 | 82.4° | 60.0° |
| C21 | N1 | C19 | H42 | 36.9° | 60.0° |
| O1 | C21 | N1 | C19 | 2.7° | 0.0° |
| O1 | C21 | C22 | H38 | 38.8° | 120.0° |
| O1 | C21 | C22 | H39 | 159.1° | 120.0° |
| O1 | C21 | N1 | H40 | 177.3° | 180.0° |
| N1 | C19 | C18 | C17 | 83.8° | 180.0° |
| N1 | C19 | C18 | H41 | 120.3° | 120.0° |
| N1 | C19 | C18 | H42 | 120.4° | 120.0° |
| N1 | C19 | H41 | H42 | 118.9° | 120.0° |
| N1 | C19 | C18 | H43 | 35.6° | 60.0° |
| N1 | C19 | C18 | H44 | 156.7° | 60.0° |
| C8 | C13 | C14 | C15 | 107.5° | 90.0° |
| C8 | C13 | C14 | H51 | 12.1° | 30.0° |
| C8 | C13 | C14 | H52 | 132.8° | 150.0° |
| C13 | C8 | C9 | H54 | 179.7° | 179.9° |
| C8 | C13 | C12 | H57 | 179.8° | 180.0° |
| C13 | C14 | C15 | H51 | 119.7° | 120.0° |
| C13 | C14 | C15 | H52 | 119.7° | 120.0° |
| C13 | C14 | C15 | C16 | 140.9° | 180.0° |
| C13 | C14 | C15 | H49 | 100.0° | 60.0° |
| C13 | C14 | C15 | H50 | 21.7° | 60.0° |
| C13 | C14 | H51 | H52 | 121.0° | 120.0° |
| C14 | C13 | C8 | H53 | 0.0° | 0.0° |
| C14 | C13 | C12 | H57 | 0.3° | 0.3° |
| C14 | C15 | C16 | H49 | 119.2° | 120.0° |
| C14 | C15 | C16 | H50 | 119.2° | 120.0° |
| C14 | C15 | C16 | C17 | 167.6° | 180.0° |
| C14 | C15 | C16 | H47 | 72.8° | 60.0° |
| C14 | C15 | C16 | H48 | 48.0° | 60.0° |
| C14 | C15 | H49 | H50 | 122.4° | 120.0° |
| C15 | C14 | H51 | H52 | 121.0° | 120.0° |
| C15 | C16 | C17 | H47 | 119.6° | 120.1° |
| C15 | C16 | C17 | H48 | 119.6° | 120.0° |
| C15 | C16 | C17 | C18 | 149.0° | 180.0° |
| C15 | C16 | C17 | H45 | 92.0° | 60.0° |
| C15 | C16 | C17 | H46 | 29.9° | 60.0° |
| C15 | C16 | H47 | H48 | 121.2° | 120.0° |
| C16 | C15 | H49 | H50 | 122.4° | 120.1° |
| C16 | C15 | C14 | H51 | 21.2° | 60.0° |
| C16 | C15 | C14 | H52 | 99.5° | 60.1° |
| C3 | C4 | C5 | H12 | 120.5° | 120.0° |
| C3 | C4 | C5 | H13 | 120.5° | 120.0° |
| C3 | C4 | C5 | C6 | 152.4° | NaN° |
| C4 | C3 | C2 | H1 | 43.5° | 60.0° |
| C4 | C3 | C2 | H2 | 76.6° | 60.0° |
| C3 | C4 | C5 | H10 | 88.6° | 60.0° |
| C3 | C4 | C5 | H11 | 33.4° | 60.0° |
| C3 | C4 | H12 | H13 | 118.5° | 120.0° |
| C4 | C3 | H14 | H15 | 121.5° | 120.0° |
| C16 | C17 | C18 | H45 | 119.0° | 120.1° |
| C16 | C17 | C18 | H46 | 119.0° | 119.9° |
| C16 | C17 | C18 | C19 | 166.8° | 180.0° |
| C16 | C17 | C18 | H43 | 73.7° | 59.9° |
| C16 | C17 | C18 | H44 | 47.4° | 60.1° |
| C16 | C17 | H45 | H46 | 122.9° | 120.0° |
| C17 | C16 | H47 | H48 | 121.2° | 120.0° |
| C17 | C16 | C15 | H49 | 48.5° | 60.0° |
| C17 | C16 | C15 | H50 | 73.2° | 60.1° |
| C17 | C18 | C19 | H43 | 119.4° | 120.0° |
| C17 | C18 | C19 | H44 | 119.5° | 120.0° |
| C17 | C18 | C19 | H41 | 36.5° | 59.9° |
| C17 | C18 | C19 | H42 | 155.8° | 60.1° |
| C17 | C18 | H43 | H44 | 121.6° | 120.0° |
| C18 | C17 | H45 | H46 | 122.9° | 120.0° |
| C18 | C17 | C16 | H47 | 29.4° | 59.9° |
| C18 | C17 | C16 | H48 | 91.4° | 60.0° |
| C18 | C19 | N1 | H40 | 22.7° | 0.0° |
| C18 | C19 | H41 | H42 | 118.9° | 119.9° |
| C19 | C18 | H43 | H44 | 121.6° | 120.0° |
| C19 | C18 | C17 | H45 | 47.8° | 59.9° |
| C19 | C18 | C17 | H46 | 74.2° | 60.1° |
| C4 | C5 | C6 | H10 | 119.0° | 120.0° |
| C4 | C5 | C6 | H11 | 119.0° | 120.0° |
| C4 | C5 | C6 | C7 | 160.6° | 180.0° |
| C4 | C5 | C6 | H8 | 80.1° | 60.0° |
| C4 | C5 | C6 | H9 | 41.3° | 60.0° |
| C4 | C5 | H10 | H11 | 122.9° | 120.1° |
| C5 | C4 | H12 | H13 | 118.5° | 120.0° |
| C5 | C4 | C3 | H14 | 26.8° | 60.0° |
| C5 | C4 | C3 | H15 | 147.9° | 60.0° |
| C5 | C6 | C7 | H8 | 119.3° | 120.0° |
| C5 | C6 | C7 | H9 | 119.3° | 120.0° |
| C5 | C6 | C7 | H5 | 180.0° | 60.1° |
| C5 | C6 | C7 | H6 | 60.0° | 60.0° |
| C5 | C6 | C7 | H7 | 60.0° | 180.0° |
| C5 | C6 | H8 | H9 | 122.0° | 120.0° |
| C6 | C5 | H10 | H11 | 122.9° | 119.9° |
| C6 | C5 | C4 | H12 | 31.9° | 60.0° |
| C6 | C5 | C4 | H13 | 87.1° | 60.0° |
| C6 | C7 | H5 | H6 | 120.0° | 120.1° |
| C6 | C7 | H5 | H7 | 120.0° | 119.9° |
| C6 | C7 | H6 | H7 | 120.0° | 120.0° |
| C7 | C6 | H8 | H9 | 122.0° | 120.0° |
| C7 | C6 | C5 | H10 | 41.6° | 60.0° |
| C7 | C6 | C5 | H11 | 80.4° | 60.0° |
| H1 | C2 | C1 | H3 | 171.3° | 60.0° |
| H1 | C2 | C1 | H4 | 69.2° | 180.0° |
| H1 | C2 | C3 | H14 | 163.0° | 179.9° |
| H1 | C2 | C3 | H15 | 76.0° | 60.0° |
| H2 | C2 | C1 | H3 | 51.2° | 179.9° |
| H2 | C2 | C1 | H4 | 170.6° | 60.0° |
| H2 | C2 | C3 | H14 | 42.9° | 59.9° |
| H2 | C2 | C3 | H15 | 163.9° | 180.0° |
| H5 | C7 | H6 | H7 | 120.0° | 120.0° |
| H5 | C7 | C6 | H8 | 60.7° | 59.9° |
| H5 | C7 | C6 | H9 | 60.7° | 180.0° |
| H6 | C7 | C6 | H8 | 179.3° | 180.0° |
| H6 | C7 | C6 | H9 | 59.3° | 60.0° |
| H7 | C7 | C6 | H8 | 59.3° | 60.0° |
| H7 | C7 | C6 | H9 | 179.3° | 60.1° |
| H8 | C6 | C5 | H10 | 160.9° | 179.9° |
| H8 | C6 | C5 | H11 | 38.9° | 60.0° |
| H9 | C6 | C5 | H10 | 77.7° | 60.0° |
| H9 | C6 | C5 | H11 | 160.3° | 180.0° |
| H10 | C5 | C4 | H12 | 150.9° | 179.9° |
| H10 | C5 | C4 | H13 | 31.9° | 59.9° |
| H11 | C5 | C4 | H12 | 87.2° | 60.0° |
| H11 | C5 | C4 | H13 | 153.9° | 180.0° |
| H12 | C4 | C3 | H14 | 93.7° | 60.0° |
| H12 | C4 | C3 | H15 | 27.4° | 180.0° |
| H13 | C4 | C3 | H14 | 147.3° | 179.9° |
| H13 | C4 | C3 | H15 | 91.6° | 60.0° |
| H16 | C27 | C28 | H17 | 75.7° | 55.5° |
| H16 | C27 | C28 | H18 | 47.5° | 64.5° |
| H16 | C27 | C26 | H30 | 149.3° | 174.5° |
| H16 | C27 | N2 | H58 | 129.6° | 145.0° |
| H19 | C31 | C32 | H28 | 58.7° | 57.7° |
| H20 | C30 | C29 | H21 | 178.3° | 65.0° |
| H20 | C30 | C29 | H22 | 57.1° | 175.0° |
| H20 | C30 | C34 | H24 | 43.6° | 57.6° |
| H21 | C29 | O8 | H23 | 60.6° | 60.0° |
| H22 | C29 | O8 | H23 | 60.5° | 60.0° |
| H24 | C34 | O7 | H25 | 61.8° | 59.8° |
| H24 | C34 | C33 | H26 | 49.0° | 56.9° |
| H26 | C33 | O6 | H27 | 61.7° | 59.8° |
| H26 | C33 | C32 | H28 | 177.4° | 177.2° |
| H28 | C32 | O5 | H29 | 60.4° | 60.2° |
| H30 | C26 | O3 | H31 | 63.2° | 175.0° |
| H30 | C26 | C25 | H32 | 66.9° | 180.0° |
| H32 | C25 | O2 | H33 | 62.8° | 179.9° |
| H32 | C25 | C24 | H34 | 76.3° | 65.0° |
| H32 | C25 | C24 | H35 | 160.9° | 175.0° |
| H34 | C24 | C23 | H36 | 177.6° | 180.0° |
| H34 | C24 | C23 | H37 | 60.9° | 60.0° |
| H35 | C24 | C23 | H36 | 54.8° | 60.0° |
| H35 | C24 | C23 | H37 | 176.3° | 180.0° |
| H36 | C23 | C22 | H38 | 172.4° | 180.0° |
| H36 | C23 | C22 | H39 | 52.1° | 60.0° |
| H37 | C23 | C22 | H38 | 66.1° | 60.0° |
| H37 | C23 | C22 | H39 | 173.6° | NaN° |
| H40 | N1 | C19 | H41 | 97.6° | 120.0° |
| H40 | N1 | C19 | H42 | 143.1° | 119.9° |
| H41 | C19 | C18 | H43 | 156.0° | 180.0° |
| H41 | C19 | C18 | H44 | 82.9° | 60.0° |
| H42 | C19 | C18 | H43 | 84.7° | 60.0° |
| H42 | C19 | C18 | H44 | 36.4° | 180.0° |
| H43 | C18 | C17 | H45 | 167.3° | 180.0° |
| H43 | C18 | C17 | H46 | 45.3° | 60.0° |
| H44 | C18 | C17 | H45 | 71.6° | 60.0° |
| H44 | C18 | C17 | H46 | 166.4° | 180.0° |
| H45 | C17 | C16 | H47 | 148.4° | 180.0° |
| H45 | C17 | C16 | H48 | 27.6° | 60.0° |
| H46 | C17 | C16 | H47 | 89.7° | 60.1° |
| H46 | C17 | C16 | H48 | 149.6° | 180.0° |
| H47 | C16 | C15 | H49 | 168.0° | 180.0° |
| H47 | C16 | C15 | H50 | 46.4° | 60.0° |
| H48 | C16 | C15 | H49 | 71.2° | 59.9° |
| H48 | C16 | C15 | H50 | 167.2° | 180.0° |
| H49 | C15 | C14 | H51 | 140.4° | 180.0° |
| H49 | C15 | C14 | H52 | 19.7° | 60.0° |
| H50 | C15 | C14 | H51 | 98.0° | 60.0° |
| H50 | C15 | C14 | H52 | 141.4° | 180.0° |
| H53 | C8 | C9 | H54 | 0.3° | 0.1° |
| H54 | C9 | C10 | H55 | 0.2° | 0.2° |
| H55 | C10 | C11 | H56 | 0.1° | 0.3° |
| H56 | C11 | C12 | H57 | 0.3° | 0.3° |
