7OA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C32 | sing | 1.51Å | 1.55Å | |
| C08 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | N1 | doub | 1.29Å | 1.36Å | Aromatic |
| C1 | N2 | sing | 1.38Å | 1.47Å | |
| C1 | S1 | sing | 1.76Å | 1.75Å | Aromatic |
| C10 | C69 | sing | 1.54Å | 1.49Å | |
| C10 | C9 | sing | 1.55Å | 1.36Å | |
| C11 | C59 | sing | 1.54Å | 1.46Å | |
| C11 | O2 | sing | 1.44Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C12 | N11 | sing | 1.46Å | 1.49Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | N11 | sing | 1.47Å | 1.50Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | O18 | sing | 1.43Å | 1.38Å | |
| C19 | C32 | sing | 1.53Å | 1.53Å | |
| C19 | N20 | sing | 1.47Å | 1.45Å | |
| C2 | C3 | doub | 1.41Å | 1.39Å | Aromatic |
| C2 | C39 | sing | 1.40Å | 1.37Å | Aromatic |
| C2 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| C21 | N20 | sing | 1.35Å | 1.48Å | |
| C21 | O22 | doub | 1.22Å | 1.19Å | |
| C21 | O23 | sing | 1.35Å | 1.43Å | |
| C29 | C36 | sing | 1.53Å | 1.54Å | |
| C29 | C79 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C33 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | F1 | sing | 1.35Å | 1.37Å | |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | F2 | sing | 1.35Å | 1.37Å | |
| C36 | C79 | sing | 1.53Å | 1.53Å | |
| C39 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C39 | S1 | sing | 1.76Å | 1.70Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C49 | C59 | sing | 1.54Å | 1.45Å | |
| C49 | C9 | sing | 1.55Å | 1.59Å | |
| C49 | O23 | sing | 1.45Å | 1.39Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.83Å | |
| C59 | C69 | sing | 1.56Å | 1.49Å | |
| C69 | C7 | sing | 1.55Å | 1.46Å | |
| C7 | O2 | sing | 1.47Å | 1.40Å | |
| C79 | N2 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.54Å | 1.44Å | |
| N11 | S8 | sing | 1.66Å | 1.74Å | |
| O10 | S8 | doub | 1.42Å | 1.46Å | |
| O9 | S8 | doub | 1.42Å | 1.47Å | |
| C7 | O1 | sing | 1.43Å | 1.67Å | |
| C06 | H1 | sing | 1.08Å | 1.08Å | |
| C08 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.08Å | 1.08Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.08Å | 1.08Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C4 | H28 | sing | 1.08Å | 1.08Å | |
| C49 | H29 | sing | 1.09Å | 1.10Å | |
| C59 | H30 | sing | 1.09Å | 1.10Å | |
| C6 | H31 | sing | 1.08Å | 1.08Å | |
| C69 | H32 | sing | 1.09Å | 1.10Å | |
| C7 | H33 | sing | 1.09Å | 1.10Å | |
| C79 | H34 | sing | 1.09Å | 1.10Å | |
| C8 | H35 | sing | 1.09Å | 1.10Å | |
| C8 | H36 | sing | 1.09Å | 1.10Å | |
| C9 | H38 | sing | 1.09Å | 1.10Å | |
| N2 | H39 | sing | 0.97Å | 1.00Å | |
| N20 | H40 | sing | 0.97Å | 1.00Å | |
| O18 | H42 | sing | 0.97Å | 0.95Å | |
| O1 | C8 | sing | 1.42Å | 1.84Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C06 | C33 | 119.7° | 120.1° |
| C06 | C07 | C08 | 120.5° | 120.0° |
| C06 | C07 | C32 | 120.5° | 120.0° |
| C07 | C06 | H1 | 120.1° | 120.0° |
| C06 | C33 | C35 | 119.9° | 120.0° |
| C06 | C33 | F1 | 119.3° | 120.0° |
| C33 | C06 | H1 | 120.1° | 120.0° |
| C08 | C07 | C32 | 119.0° | 120.0° |
| C07 | C08 | C34 | 119.8° | 120.0° |
| C07 | C08 | H2 | 120.1° | 120.0° |
| C07 | C32 | C19 | 107.7° | 109.5° |
| C07 | C32 | H23 | 109.9° | 109.4° |
| C07 | C32 | H24 | 109.9° | 109.4° |
| C08 | C34 | C35 | 120.2° | 120.0° |
| C08 | C34 | F2 | 118.4° | 120.0° |
| C34 | C08 | H2 | 120.1° | 120.0° |
| N1 | C1 | N2 | 124.0° | 124.8° |
| N1 | C1 | S1 | 109.5° | 110.4° |
| C1 | N1 | C2 | 114.9° | 117.9° |
| N2 | C1 | S1 | 126.5° | 124.8° |
| C1 | N2 | C79 | 121.1° | 120.0° |
| C1 | N2 | H39 | 106.5° | 120.0° |
| C1 | S1 | C39 | 90.8° | 90.5° |
| C69 | C10 | C9 | 105.7° | 101.5° |
| C10 | C69 | C59 | 106.5° | 104.4° |
| C10 | C69 | C7 | 110.5° | 110.5° |
| C69 | C10 | H3 | 110.4° | 111.0° |
| C69 | C10 | H4 | 110.4° | 111.0° |
| C10 | C69 | H32 | 111.2° | 113.2° |
| C10 | C9 | C49 | 106.6° | 104.0° |
| C10 | C9 | C8 | 107.9° | 104.3° |
| C9 | C10 | H3 | 110.4° | 111.0° |
| C9 | C10 | H4 | 110.4° | 111.1° |
| C10 | C9 | H38 | 113.1° | 113.2° |
| C59 | C11 | O2 | 102.9° | 106.8° |
| C11 | C59 | C49 | 111.7° | 109.8° |
| C11 | C59 | C69 | 106.5° | 103.0° |
| C59 | C11 | H5 | 111.1° | 110.0° |
| C59 | C11 | H6 | 111.1° | 109.9° |
| C11 | C59 | H30 | 111.2° | 112.6° |
| C11 | O2 | C7 | 108.8° | 104.3° |
| O2 | C11 | H5 | 111.1° | 110.0° |
| O2 | C11 | H6 | 111.1° | 110.0° |
| C13 | C12 | N11 | 112.4° | 109.5° |
| C12 | C13 | C14 | 109.1° | 109.5° |
| C12 | C13 | C15 | 111.2° | 109.4° |
| C13 | C12 | H7 | 108.7° | 109.5° |
| C13 | C12 | H8 | 108.7° | 109.5° |
| C12 | C13 | H9 | 108.5° | 109.4° |
| C12 | N11 | C16 | 118.1° | 120.0° |
| C12 | N11 | S8 | 114.9° | 120.1° |
| N11 | C12 | H7 | 108.7° | 109.5° |
| N11 | C12 | H8 | 108.7° | 109.5° |
| C14 | C13 | C15 | 110.6° | 109.5° |
| C14 | C13 | H9 | 108.7° | 109.5° |
| C13 | C14 | H10 | 109.5° | 109.4° |
| C13 | C14 | H11 | 109.5° | 109.4° |
| C13 | C14 | H12 | 109.5° | 109.5° |
| C15 | C13 | H9 | 108.6° | 109.5° |
| C13 | C15 | H13 | 109.5° | 109.5° |
| C13 | C15 | H14 | 109.5° | 109.5° |
| C13 | C15 | H15 | 109.5° | 109.5° |
| C17 | C16 | N11 | 111.7° | 109.5° |
| C16 | C17 | C19 | 112.0° | 109.5° |
| C16 | C17 | O18 | 108.8° | 109.5° |
| C17 | C16 | H16 | 108.9° | 109.5° |
| C17 | C16 | H17 | 108.9° | 109.5° |
| C16 | C17 | H18 | 108.7° | 109.5° |
| C16 | N11 | S8 | 113.7° | 120.0° |
| N11 | C16 | H16 | 108.9° | 109.4° |
| N11 | C16 | H17 | 108.9° | 109.5° |
| C19 | C17 | O18 | 107.5° | 109.5° |
| C17 | C19 | C32 | 109.2° | 109.4° |
| C17 | C19 | N20 | 107.9° | 109.5° |
| C19 | C17 | H18 | 108.9° | 109.4° |
| C17 | C19 | H19 | 110.3° | 109.5° |
| O18 | C17 | H18 | 111.0° | 109.5° |
| C17 | O18 | H42 | 109.5° | 114.0° |
| C32 | C19 | N20 | 108.0° | 109.5° |
| C32 | C19 | H19 | 110.2° | 109.5° |
| C19 | C32 | H23 | 109.9° | 109.5° |
| C19 | C32 | H24 | 109.9° | 109.5° |
| C19 | N20 | C21 | 123.7° | 120.0° |
| N20 | C19 | H19 | 111.3° | 109.5° |
| C19 | N20 | H40 | 118.2° | 120.0° |
| C3 | C2 | C39 | 119.1° | 118.4° |
| C3 | C2 | N1 | 127.2° | 128.7° |
| C2 | C3 | C4 | 120.7° | 120.4° |
| C2 | C3 | H22 | 119.6° | 119.7° |
| C39 | C2 | N1 | 113.7° | 112.9° |
| C2 | C39 | C6 | 119.8° | 120.4° |
| C2 | C39 | S1 | 111.0° | 108.4° |
| N20 | C21 | O22 | 122.5° | 120.0° |
| N20 | C21 | O23 | 116.7° | 120.0° |
| C21 | N20 | H40 | 118.1° | 120.1° |
| O22 | C21 | O23 | 120.8° | 120.0° |
| C21 | O23 | C49 | 115.2° | 117.0° |
| C36 | C29 | C79 | 59.9° | 60.0° |
| C29 | C36 | C79 | 59.5° | 60.0° |
| C36 | C29 | H20 | 120.0° | 117.5° |
| C36 | C29 | H21 | 120.0° | 117.5° |
| C29 | C36 | H26 | 120.1° | 117.5° |
| C29 | C36 | H27 | 120.1° | 117.5° |
| C29 | C79 | C36 | 60.6° | 60.0° |
| C29 | C79 | N2 | 116.3° | 117.5° |
| C79 | C29 | H20 | 120.0° | 117.4° |
| C79 | C29 | H21 | 120.0° | 117.5° |
| C29 | C79 | H34 | 117.4° | 117.6° |
| C3 | C4 | C5 | 121.2° | 120.7° |
| C4 | C3 | H22 | 119.7° | 119.9° |
| C3 | C4 | H28 | 119.4° | 119.7° |
| C35 | C33 | F1 | 120.8° | 120.0° |
| C33 | C35 | C34 | 119.9° | 119.9° |
| C33 | C35 | H25 | 120.1° | 120.0° |
| C35 | C34 | F2 | 121.4° | 120.0° |
| C34 | C35 | H25 | 120.0° | 120.0° |
| C36 | C79 | N2 | 113.4° | 117.5° |
| C79 | C36 | H26 | 120.1° | 117.5° |
| C79 | C36 | H27 | 120.1° | 117.5° |
| C36 | C79 | H34 | 117.3° | 117.5° |
| C6 | C39 | S1 | 129.2° | 131.2° |
| C39 | C6 | C5 | 121.8° | 120.2° |
| C39 | C6 | H31 | 119.1° | 120.0° |
| C4 | C5 | C6 | 117.4° | 120.0° |
| C4 | C5 | S8 | 121.5° | 120.1° |
| C5 | C4 | H28 | 119.4° | 119.7° |
| C59 | C49 | C9 | 105.7° | 107.1° |
| C59 | C49 | O23 | 111.0° | 109.9° |
| C49 | C59 | C69 | 104.7° | 104.8° |
| C59 | C49 | H29 | 110.6° | 109.9° |
| C49 | C59 | H30 | 111.5° | 112.6° |
| C9 | C49 | O23 | 109.2° | 109.9° |
| C49 | C9 | C8 | 107.8° | 107.8° |
| C9 | C49 | H29 | 108.6° | 109.9° |
| C49 | C9 | H38 | 109.6° | 113.1° |
| O23 | C49 | H29 | 111.5° | 110.0° |
| C6 | C5 | S8 | 121.0° | 120.0° |
| C5 | C6 | H31 | 119.1° | 119.9° |
| C5 | S8 | N11 | 106.4° | 107.2° |
| C5 | S8 | O10 | 112.6° | 106.4° |
| C5 | S8 | O9 | 111.0° | 106.4° |
| C59 | C69 | C7 | 105.7° | 100.0° |
| C69 | C59 | H30 | 110.9° | 113.4° |
| C59 | C69 | H32 | 111.2° | 113.6° |
| C69 | C7 | O2 | 108.5° | 100.2° |
| C69 | C7 | O1 | 110.5° | 111.2° |
| C7 | C69 | H32 | 111.6° | 114.0° |
| C69 | C7 | H33 | 110.2° | 113.5° |
| O2 | C7 | O1 | 109.0° | 102.6° |
| O2 | C7 | H33 | 111.1° | 113.9° |
| N2 | C79 | H34 | 118.7° | 115.5° |
| C79 | N2 | H39 | 106.5° | 120.0° |
| C9 | C8 | H35 | 109.8° | 109.7° |
| C9 | C8 | H36 | 109.8° | 109.7° |
| C8 | C9 | H38 | 111.7° | 113.7° |
| C9 | C8 | O1 | 108.1° | 108.4° |
| N11 | S8 | O10 | 111.5° | 106.4° |
| N11 | S8 | O9 | 110.1° | 106.4° |
| O10 | S8 | O9 | 105.3° | 123.2° |
| O1 | C7 | H33 | 107.6° | 114.1° |
| C7 | O1 | C8 | 109.6° | 119.4° |
| H3 | C10 | H4 | 109.5° | 110.9° |
| H5 | C11 | H6 | 109.5° | 110.0° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.5° |
| H13 | C15 | H15 | 109.4° | 109.4° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.4° |
| H20 | C29 | H21 | 109.5° | 115.6° |
| H23 | C32 | H24 | 109.5° | 109.5° |
| H26 | C36 | H27 | 109.5° | 115.6° |
| H35 | C8 | H36 | 109.5° | 109.7° |
| H35 | C8 | O1 | 109.8° | 109.7° |
| H36 | C8 | O1 | 109.8° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C06 | C33 | H1 | 180.0° | 179.8° |
| C06 | C07 | C08 | C32 | 179.4° | 180.0° |
| C06 | C07 | C08 | C34 | 0.3° | 0.0° |
| C06 | C07 | C32 | C19 | 106.7° | 90.0° |
| C07 | C06 | C33 | C35 | 0.3° | 0.0° |
| C07 | C06 | C33 | F1 | 179.9° | 180.0° |
| C06 | C07 | C08 | H2 | 179.7° | 180.0° |
| C06 | C07 | C32 | H23 | 133.5° | 150.0° |
| C06 | C07 | C32 | H24 | 13.0° | 30.0° |
| C33 | C06 | C07 | C08 | 0.4° | 0.0° |
| C33 | C06 | C07 | C32 | 179.7° | 179.9° |
| C06 | C33 | C35 | F1 | 179.6° | 180.0° |
| C06 | C33 | C35 | C34 | 0.1° | 0.0° |
| C06 | C33 | C35 | H25 | 179.9° | 179.9° |
| C07 | C08 | C34 | H2 | 180.0° | 179.9° |
| C08 | C07 | C32 | C19 | 72.6° | 90.0° |
| C07 | C08 | C34 | C35 | 0.1° | 0.0° |
| C07 | C08 | C34 | F2 | 179.7° | 180.0° |
| C08 | C07 | C06 | H1 | 179.6° | 179.8° |
| C08 | C07 | C32 | H23 | 47.1° | 30.0° |
| C08 | C07 | C32 | H24 | 167.7° | 150.0° |
| C32 | C07 | C08 | C34 | 179.6° | 179.9° |
| C07 | C32 | C19 | C17 | 178.7° | 175.0° |
| C07 | C32 | C19 | H23 | 119.7° | 120.0° |
| C07 | C32 | C19 | H24 | 119.7° | 119.9° |
| C07 | C32 | C19 | N20 | 61.7° | 65.0° |
| C32 | C07 | C06 | H1 | 0.3° | 0.3° |
| C32 | C07 | C08 | H2 | 0.4° | 0.0° |
| C07 | C32 | C19 | H19 | 60.0° | 55.0° |
| C07 | C32 | H23 | H24 | 120.8° | 119.9° |
| C08 | C34 | C35 | C33 | 0.0° | 0.1° |
| C08 | C34 | C35 | F2 | 179.8° | 180.0° |
| C08 | C34 | C35 | H25 | 180.0° | 179.9° |
| N1 | C1 | N2 | S1 | 179.7° | 179.8° |
| C1 | N1 | C2 | C3 | 179.4° | 179.9° |
| C1 | N1 | C2 | C39 | 0.1° | 0.5° |
| N1 | C1 | S1 | C39 | 0.3° | 0.1° |
| N1 | C1 | N2 | C79 | 175.3° | 0.0° |
| N1 | C1 | N2 | H39 | 63.1° | 180.0° |
| N2 | C1 | N1 | C2 | 179.6° | 180.0° |
| C1 | N2 | C79 | C29 | 67.4° | 155.0° |
| C1 | N2 | C79 | C36 | 134.9° | 136.3° |
| N2 | C1 | S1 | C39 | 179.5° | 179.7° |
| C1 | N2 | C79 | H39 | 121.6° | 179.9° |
| C1 | N2 | C79 | H34 | 81.4° | 9.3° |
| C1 | S1 | C39 | C2 | 0.4° | 0.3° |
| S1 | C1 | N1 | C2 | 0.1° | 0.2° |
| C1 | S1 | C39 | C6 | 179.7° | 179.8° |
| S1 | C1 | N2 | C79 | 4.5° | 179.8° |
| S1 | C1 | N2 | H39 | 117.2° | 0.2° |
| C69 | C10 | C9 | H3 | 119.4° | 118.0° |
| C69 | C10 | C9 | H4 | 119.4° | 118.1° |
| C10 | C69 | C59 | C11 | 144.9° | 142.6° |
| C10 | C69 | C59 | C49 | 26.4° | 27.8° |
| C69 | C10 | C9 | C49 | 27.4° | 39.7° |
| C10 | C69 | C59 | C7 | 117.5° | 114.3° |
| C10 | C69 | C59 | H32 | 121.2° | 123.7° |
| C10 | C69 | C7 | H32 | 124.2° | 128.8° |
| C10 | C69 | C7 | O2 | 132.1° | 156.7° |
| C69 | C10 | C9 | C8 | 88.1° | 73.2° |
| C10 | C69 | C7 | O1 | 12.6° | 48.9° |
| C69 | C10 | H3 | H4 | 121.8° | 124.0° |
| C10 | C69 | C59 | H30 | 93.9° | 95.4° |
| C10 | C69 | C7 | H33 | 106.2° | 81.4° |
| C69 | C10 | C9 | H38 | 147.8° | 162.7° |
| C10 | C9 | C49 | C59 | 11.3° | 23.0° |
| C10 | C9 | C49 | C8 | 115.5° | 110.3° |
| C10 | C9 | C49 | H38 | 122.7° | 123.1° |
| C10 | C9 | C49 | O23 | 130.8° | 142.4° |
| C9 | C10 | C69 | C59 | 34.7° | 41.7° |
| C9 | C10 | C69 | C7 | 79.6° | 65.0° |
| C10 | C9 | C8 | H38 | 124.9° | 123.7° |
| C9 | C10 | H3 | H4 | 121.7° | 124.0° |
| C10 | C9 | C49 | H29 | 107.5° | 96.4° |
| C9 | C10 | C69 | H32 | 155.9° | 165.8° |
| C10 | C9 | C8 | H35 | 89.6° | 52.6° |
| C10 | C9 | C8 | H36 | 150.1° | 173.2° |
| C10 | C9 | C8 | O1 | 30.2° | 67.1° |
| C59 | C11 | O2 | H5 | 118.9° | 119.4° |
| C59 | C11 | O2 | H6 | 119.0° | 119.3° |
| C11 | C59 | C49 | C69 | 114.9° | 109.9° |
| C11 | C59 | C49 | H30 | 125.2° | 126.3° |
| C11 | C59 | C49 | C9 | 124.8° | 112.7° |
| C11 | C59 | C49 | O23 | 6.5° | 6.7° |
| C11 | C59 | C69 | H30 | 121.2° | 122.0° |
| C11 | C59 | C69 | C7 | 27.4° | 28.3° |
| C59 | C11 | O2 | C7 | 15.6° | 31.1° |
| C59 | C11 | H5 | H6 | 123.1° | 121.3° |
| C11 | C59 | C49 | H29 | 117.8° | 127.9° |
| C11 | C59 | C69 | H32 | 93.9° | 93.7° |
| O2 | C11 | C59 | C49 | 88.0° | 111.4° |
| O2 | C11 | C59 | C69 | 25.8° | 0.3° |
| C11 | O2 | C7 | C69 | 1.1° | 49.2° |
| C11 | O2 | C7 | O1 | 119.3° | 65.4° |
| O2 | C11 | H5 | H6 | 123.0° | 121.3° |
| O2 | C11 | C59 | H30 | 146.7° | 122.3° |
| C11 | O2 | C7 | H33 | 122.3° | 170.7° |
| C13 | C12 | N11 | H7 | 120.4° | 120.1° |
| C13 | C12 | N11 | H8 | 120.4° | 120.0° |
| C12 | C13 | C14 | C15 | 122.7° | 120.0° |
| C12 | C13 | C14 | H9 | 118.1° | 119.9° |
| C12 | C13 | C15 | H9 | 119.3° | 119.9° |
| C13 | C12 | N11 | C16 | 92.5° | 64.8° |
| C13 | C12 | N11 | S8 | 128.9° | 115.3° |
| C13 | C12 | H7 | H8 | 118.6° | 120.0° |
| C12 | C13 | C14 | H10 | 180.0° | 177.9° |
| C12 | C13 | C14 | H11 | 60.0° | 57.9° |
| C12 | C13 | C14 | H12 | 60.0° | 62.1° |
| C12 | C13 | C15 | H13 | 180.0° | 59.9° |
| C12 | C13 | C15 | H14 | 60.0° | 180.0° |
| C12 | C13 | C15 | H15 | 60.0° | 60.0° |
| N11 | C12 | C13 | C14 | 90.3° | 65.0° |
| N11 | C12 | C13 | C15 | 32.0° | 175.0° |
| C12 | N11 | C16 | C17 | 104.6° | 85.0° |
| C12 | N11 | C16 | S8 | 139.1° | 179.9° |
| C12 | N11 | S8 | C5 | 54.1° | 94.8° |
| C12 | N11 | S8 | O10 | 69.1° | 18.8° |
| C12 | N11 | S8 | O9 | 174.4° | 151.7° |
| N11 | C12 | H7 | H8 | 118.6° | 120.0° |
| N11 | C12 | C13 | H9 | 151.4° | 55.0° |
| C12 | N11 | C16 | H16 | 135.1° | 35.0° |
| C12 | N11 | C16 | H17 | 15.7° | 155.0° |
| C14 | C13 | C15 | H9 | 119.3° | 120.1° |
| C14 | C13 | C12 | H7 | 30.1° | 175.0° |
| C14 | C13 | C12 | H8 | 149.2° | 55.0° |
| C13 | C14 | H10 | H11 | 120.0° | 120.0° |
| C13 | C14 | H10 | H12 | 120.0° | 119.9° |
| C13 | C14 | H11 | H12 | 120.0° | 120.0° |
| C14 | C13 | C15 | H13 | 58.6° | 179.9° |
| C14 | C13 | C15 | H14 | 61.4° | 60.0° |
| C14 | C13 | C15 | H15 | 178.6° | 60.0° |
| C15 | C13 | C12 | H7 | 152.4° | 54.9° |
| C15 | C13 | C12 | H8 | 88.4° | 65.0° |
| C15 | C13 | C14 | H10 | 57.3° | 62.1° |
| C15 | C13 | C14 | H11 | 177.3° | 177.9° |
| C15 | C13 | C14 | H12 | 62.7° | 57.8° |
| C13 | C15 | H13 | H14 | 120.0° | 120.0° |
| C13 | C15 | H13 | H15 | 120.0° | 120.0° |
| C13 | C15 | H14 | H15 | 120.0° | 120.0° |
| C17 | C16 | N11 | H16 | 120.3° | 120.0° |
| C17 | C16 | N11 | H17 | 120.3° | 120.1° |
| C16 | C17 | C19 | O18 | 119.4° | 120.0° |
| C16 | C17 | C19 | H18 | 120.2° | 120.0° |
| C16 | C17 | O18 | H18 | 119.5° | 120.0° |
| C16 | C17 | C19 | C32 | 77.4° | 65.0° |
| C16 | C17 | C19 | N20 | 165.4° | 175.0° |
| C17 | C16 | N11 | S8 | 116.2° | 95.0° |
| C17 | C16 | H16 | H17 | 119.0° | 120.0° |
| C16 | C17 | C19 | H19 | 43.8° | 55.0° |
| C16 | C17 | O18 | H42 | 180.0° | 60.0° |
| N11 | C16 | C17 | C19 | 67.9° | 175.0° |
| N11 | C16 | C17 | O18 | 173.4° | 65.0° |
| C16 | N11 | S8 | C5 | 86.4° | 85.3° |
| C16 | N11 | S8 | O10 | 150.4° | 161.1° |
| C16 | N11 | S8 | O9 | 33.9° | 28.2° |
| C16 | N11 | C12 | H7 | 28.0° | 55.3° |
| C16 | N11 | C12 | H8 | 147.1° | 175.2° |
| N11 | C16 | H16 | H17 | 119.0° | 120.0° |
| N11 | C16 | C17 | H18 | 52.4° | 55.0° |
| C19 | C17 | O18 | H18 | 119.0° | 119.9° |
| C17 | C19 | C32 | N20 | 117.0° | 120.0° |
| C17 | C19 | C32 | H19 | 121.3° | 120.0° |
| C17 | C19 | N20 | H19 | 121.1° | 120.0° |
| C17 | C19 | N20 | C21 | 132.4° | 155.1° |
| C19 | C17 | C16 | H16 | 52.4° | 55.0° |
| C19 | C17 | C16 | H17 | 171.8° | 65.0° |
| C17 | C19 | C32 | H23 | 61.6° | 55.0° |
| C17 | C19 | C32 | H24 | 59.0° | 65.1° |
| C17 | C19 | N20 | H40 | 47.6° | 25.0° |
| C19 | C17 | O18 | H42 | 58.5° | 60.0° |
| O18 | C17 | C19 | C32 | 42.0° | 55.0° |
| O18 | C17 | C19 | N20 | 75.1° | 65.0° |
| O18 | C17 | C16 | H16 | 66.3° | 175.0° |
| O18 | C17 | C16 | H17 | 53.1° | 55.0° |
| O18 | C17 | C19 | H19 | 163.2° | 175.0° |
| C32 | C19 | N20 | H19 | 121.0° | 120.0° |
| C32 | C19 | N20 | C21 | 109.7° | 85.0° |
| C32 | C19 | C17 | H18 | 162.4° | 175.0° |
| C19 | C32 | H23 | H24 | 120.8° | 120.1° |
| C32 | C19 | N20 | H40 | 70.3° | 95.0° |
| C19 | N20 | C21 | H40 | 180.0° | 179.9° |
| C19 | N20 | C21 | O22 | 15.1° | 0.1° |
| C19 | N20 | C21 | O23 | 165.4° | 180.0° |
| N20 | C19 | C17 | H18 | 45.2° | 55.0° |
| N20 | C19 | C32 | H23 | 178.6° | 175.0° |
| N20 | C19 | C32 | H24 | 58.0° | 55.0° |
| C3 | C2 | C39 | N1 | 179.6° | 179.5° |
| C2 | C3 | C4 | H22 | 180.0° | 180.0° |
| C3 | C2 | C39 | C6 | 0.2° | 0.1° |
| C3 | C2 | C39 | S1 | 179.3° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C4 | H28 | 179.7° | 180.0° |
| C39 | C2 | C3 | C4 | 0.3° | 0.1° |
| C2 | C39 | C6 | S1 | 179.3° | 179.9° |
| C2 | C39 | C6 | C5 | 0.1° | 0.0° |
| C39 | C2 | C3 | H22 | 179.7° | 180.0° |
| C2 | C39 | C6 | H31 | 179.9° | 180.0° |
| N1 | C2 | C3 | C4 | 179.8° | 179.5° |
| N1 | C2 | C39 | C6 | 179.8° | 179.6° |
| N1 | C2 | C39 | S1 | 0.4° | 0.5° |
| N1 | C2 | C3 | H22 | 0.2° | 0.5° |
| N20 | C21 | O22 | O23 | 179.5° | 180.0° |
| N20 | C21 | O23 | C49 | 155.6° | 179.9° |
| C21 | N20 | C19 | H19 | 11.3° | 35.1° |
| O22 | C21 | O23 | C49 | 24.9° | 0.0° |
| O22 | C21 | N20 | H40 | 164.9° | 180.0° |
| C21 | O23 | C49 | C59 | 129.7° | 150.0° |
| C21 | O23 | C49 | C9 | 114.2° | 92.3° |
| C21 | O23 | C49 | H29 | 5.9° | 28.8° |
| O23 | C21 | N20 | H40 | 14.6° | 0.0° |
| C36 | C29 | C79 | H20 | 109.4° | 107.5° |
| C36 | C29 | C79 | H21 | 109.4° | 107.5° |
| C29 | C36 | C79 | H26 | 109.4° | 107.5° |
| C29 | C36 | C79 | H27 | 109.3° | 107.5° |
| C36 | C29 | C79 | N2 | 103.3° | 107.5° |
| C36 | C29 | H20 | H21 | 144.8° | 145.7° |
| C29 | C36 | H26 | H27 | 145.0° | 145.7° |
| C36 | C29 | C79 | H34 | 107.5° | 107.5° |
| C29 | C79 | N2 | H34 | 148.8° | 145.8° |
| C79 | C29 | H20 | H21 | 144.8° | 145.7° |
| C29 | C79 | N2 | H39 | 171.0° | 25.0° |
| C3 | C4 | C5 | H28 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | S8 | 179.2° | 179.9° |
| C33 | C35 | C34 | H25 | 180.0° | 180.0° |
| C33 | C35 | C34 | F2 | 179.8° | 180.0° |
| C35 | C33 | C06 | H1 | 179.7° | 179.8° |
| F1 | C33 | C35 | C34 | 179.7° | 180.0° |
| F1 | C33 | C06 | H1 | 0.1° | 0.2° |
| F1 | C33 | C35 | H25 | 0.4° | 0.0° |
| C35 | C34 | C08 | H2 | 179.9° | 180.0° |
| F2 | C34 | C08 | H2 | 0.3° | 0.1° |
| F2 | C34 | C35 | H25 | 0.2° | 0.0° |
| C36 | C79 | N2 | H34 | 143.7° | 145.6° |
| C79 | C36 | H26 | H27 | 145.0° | 145.7° |
| C36 | C79 | N2 | H39 | 103.5° | 43.6° |
| C39 | C6 | C5 | C4 | 0.2° | 0.0° |
| C39 | C6 | C5 | H31 | 180.0° | 180.0° |
| C39 | C6 | C5 | S8 | 179.0° | 179.9° |
| S1 | C39 | C6 | C5 | 179.2° | 179.9° |
| S1 | C39 | C6 | H31 | 0.8° | 0.1° |
| C4 | C5 | C6 | S8 | 178.9° | 179.9° |
| C4 | C5 | S8 | N11 | 90.2° | 84.6° |
| C4 | C5 | S8 | O10 | 147.3° | 161.9° |
| C4 | C5 | S8 | O9 | 29.5° | 28.9° |
| C5 | C4 | C3 | H22 | 179.7° | 180.0° |
| C4 | C5 | C6 | H31 | 179.8° | 180.0° |
| C59 | C49 | C9 | O23 | 119.5° | 119.4° |
| C59 | C49 | C9 | H29 | 118.8° | 119.4° |
| C59 | C49 | O23 | H29 | 123.8° | 121.1° |
| C49 | C59 | C69 | H30 | 120.3° | 123.2° |
| C49 | C59 | C69 | C7 | 91.1° | 86.5° |
| C59 | C49 | C9 | C8 | 104.2° | 87.3° |
| C49 | C59 | C11 | H5 | 30.9° | 7.9° |
| C49 | C59 | C11 | H6 | 153.1° | 129.3° |
| C49 | C59 | C69 | H32 | 147.6° | 151.6° |
| C59 | C49 | C9 | H38 | 134.0° | 146.1° |
| C9 | C49 | O23 | H29 | 120.1° | 121.2° |
| C9 | C49 | C59 | C69 | 9.9° | 2.8° |
| C49 | C9 | C8 | H38 | 120.4° | 126.2° |
| C49 | C9 | C10 | H3 | 146.8° | 157.7° |
| C49 | C9 | C10 | H4 | 92.0° | 78.4° |
| C9 | C49 | C59 | H30 | 110.0° | 121.0° |
| C49 | C9 | C8 | H35 | 155.8° | 162.7° |
| C49 | C9 | C8 | H36 | 35.4° | 76.8° |
| C49 | C9 | C8 | O1 | 84.4° | 43.0° |
| O23 | C49 | C59 | C69 | 108.4° | 116.7° |
| O23 | C49 | C9 | C8 | 15.2° | 32.1° |
| O23 | C49 | C59 | H30 | 131.7° | 119.6° |
| O23 | C49 | C9 | H38 | 106.5° | 94.5° |
| C6 | C5 | S8 | N11 | 88.6° | 95.5° |
| C6 | C5 | S8 | O10 | 33.9° | 18.0° |
| C6 | C5 | S8 | O9 | 151.6° | 151.0° |
| C6 | C5 | C4 | H28 | 179.7° | 180.0° |
| C5 | S8 | N11 | O10 | 123.2° | 113.5° |
| C5 | S8 | N11 | O9 | 120.4° | 113.5° |
| C5 | S8 | O10 | O9 | 121.1° | 123.0° |
| S8 | C5 | C4 | H28 | 0.8° | 0.1° |
| S8 | C5 | C6 | H31 | 1.0° | 0.1° |
| C59 | C69 | C7 | H32 | 121.0° | 121.6° |
| C59 | C69 | C7 | O2 | 17.2° | 47.1° |
| C59 | C69 | C7 | O1 | 102.2° | 60.8° |
| C59 | C69 | C10 | H3 | 154.1° | 159.7° |
| C59 | C69 | C10 | H4 | 84.7° | 76.4° |
| C69 | C59 | C11 | H5 | 144.7° | 119.0° |
| C69 | C59 | C11 | H6 | 93.2° | 119.6° |
| C69 | C59 | C49 | H29 | 127.3° | 122.1° |
| C59 | C69 | C7 | H33 | 139.0° | 169.0° |
| C69 | C7 | O2 | O1 | 120.4° | 114.7° |
| C69 | C7 | O2 | H33 | 121.2° | 121.5° |
| C69 | C7 | O1 | H33 | 120.3° | 130.0° |
| C7 | C69 | C10 | H3 | 39.8° | 53.0° |
| C7 | C69 | C10 | H4 | 161.0° | 176.9° |
| C7 | C69 | C59 | H30 | 148.5° | 150.3° |
| C69 | C7 | O1 | C8 | 31.7° | 42.7° |
| O2 | C7 | O1 | H33 | 120.5° | 123.7° |
| C7 | O2 | C11 | H5 | 134.5° | 88.3° |
| C7 | O2 | C11 | H6 | 103.4° | 150.4° |
| O2 | C7 | C69 | H32 | 103.7° | 74.5° |
| O2 | C7 | O1 | C8 | 87.4° | 149.0° |
| N2 | C79 | C29 | H20 | 147.2° | 145.0° |
| N2 | C79 | C29 | H21 | 6.1° | 0.0° |
| N2 | C79 | C36 | H26 | 1.3° | 0.0° |
| N2 | C79 | C36 | H27 | 142.6° | 145.0° |
| C9 | C8 | O1 | C7 | 25.2° | 52.6° |
| C8 | C9 | C10 | H3 | 31.3° | 44.8° |
| C8 | C9 | C10 | H4 | 152.5° | 168.7° |
| C8 | C9 | C49 | H29 | 137.0° | 153.3° |
| C9 | C8 | H35 | H36 | 120.6° | 120.5° |
| C9 | C8 | H35 | O1 | 118.8° | 118.9° |
| C9 | C8 | H36 | O1 | 118.8° | 118.9° |
| N11 | S8 | O10 | O9 | 119.3° | 122.9° |
| S8 | N11 | C12 | H7 | 110.7° | 124.7° |
| S8 | N11 | C12 | H8 | 8.4° | 4.7° |
| S8 | N11 | C16 | H16 | 4.1° | 145.0° |
| S8 | N11 | C16 | H17 | 123.5° | 25.1° |
| O1 | C7 | C69 | H32 | 136.8° | 177.6° |
| C7 | O1 | C8 | H35 | 145.0° | 67.2° |
| C7 | O1 | C8 | H36 | 94.6° | 172.3° |
| H3 | C10 | C69 | H32 | 84.7° | 76.2° |
| H3 | C10 | C9 | H38 | 92.7° | 79.2° |
| H4 | C10 | C69 | H32 | 36.5° | 47.6° |
| H4 | C10 | C9 | H38 | 28.5° | 44.6° |
| H5 | C11 | C59 | H30 | 94.4° | 118.4° |
| H6 | C11 | C59 | H30 | 27.7° | 2.9° |
| H7 | C12 | C13 | H9 | 88.2° | 65.0° |
| H8 | C12 | C13 | H9 | 31.0° | 175.0° |
| H9 | C13 | C14 | H10 | 61.9° | 58.0° |
| H9 | C13 | C14 | H11 | 58.1° | 62.0° |
| H9 | C13 | C14 | H12 | 178.1° | 177.9° |
| H9 | C13 | C15 | H13 | 60.7° | 60.0° |
| H9 | C13 | C15 | H14 | 179.3° | 60.1° |
| H9 | C13 | C15 | H15 | 59.3° | 180.0° |
| H10 | C14 | H11 | H12 | 120.0° | 120.1° |
| H13 | C15 | H14 | H15 | 120.0° | 120.0° |
| H16 | C16 | C17 | H18 | 172.8° | 65.0° |
| H17 | C16 | C17 | H18 | 67.9° | 175.0° |
| H18 | C17 | C19 | H19 | 76.4° | 65.1° |
| H18 | C17 | O18 | H42 | 60.5° | 180.0° |
| H19 | C19 | C32 | H23 | 59.7° | 64.9° |
| H19 | C19 | C32 | H24 | 179.8° | 175.0° |
| H19 | C19 | N20 | H40 | 168.6° | 145.0° |
| H20 | C29 | C36 | H26 | 141.2° | 145.1° |
| H20 | C29 | C36 | H27 | 0.1° | 0.0° |
| H20 | C29 | C79 | H34 | 2.0° | 0.0° |
| H21 | C29 | C36 | H26 | 0.1° | 0.0° |
| H21 | C29 | C36 | H27 | 141.2° | 145.0° |
| H21 | C29 | C79 | H34 | 143.1° | 145.0° |
| H22 | C3 | C4 | H28 | 0.3° | 0.0° |
| H26 | C36 | C79 | H34 | 143.0° | 144.9° |
| H27 | C36 | C79 | H34 | 1.7° | 0.1° |
| H29 | C49 | C59 | H30 | 7.4° | 1.6° |
| H29 | C49 | C9 | H38 | 15.3° | 26.7° |
| H30 | C59 | C69 | H32 | 27.3° | 28.4° |
| H32 | C69 | C7 | H33 | 18.0° | 47.4° |
| H33 | C7 | O1 | C8 | 152.0° | 87.3° |
| H34 | C79 | N2 | H39 | 40.2° | 170.8° |
| H35 | C8 | H36 | O1 | 120.6° | 120.5° |
| H35 | C8 | C9 | H38 | 35.4° | 71.1° |
| H36 | C8 | C9 | H38 | 85.0° | 49.4° |
| H38 | C9 | C8 | O1 | 155.2° | 169.2° |
