7O7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | doub | 1.29Å | 1.35Å | Aromatic |
| C1 | N2 | sing | 1.38Å | 1.46Å | |
| C1 | S1 | sing | 1.76Å | 1.75Å | Aromatic |
| C2 | C3 | doub | 1.41Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| C2 | C39 | sing | 1.40Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.82Å | |
| C6 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C69 | sing | 1.55Å | 1.45Å | |
| C7 | O2 | sing | 1.47Å | 1.41Å | |
| N2 | C79 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.54Å | 1.44Å | |
| C06 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C32 | sing | 1.51Å | 1.56Å | |
| C08 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C69 | sing | 1.54Å | 1.49Å | |
| C10 | C9 | sing | 1.55Å | 1.37Å | |
| C11 | C59 | sing | 1.54Å | 1.46Å | |
| C11 | O2 | sing | 1.44Å | 1.58Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C12 | N11 | sing | 1.46Å | 1.49Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | C15 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | N11 | sing | 1.46Å | 1.50Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | O18 | sing | 1.43Å | 1.39Å | |
| C19 | C32 | sing | 1.53Å | 1.53Å | |
| C19 | N20 | sing | 1.47Å | 1.45Å | |
| C21 | N20 | sing | 1.35Å | 1.48Å | |
| C21 | O22 | doub | 1.21Å | 1.19Å | |
| C21 | O23 | sing | 1.35Å | 1.43Å | |
| C29 | C36 | sing | 1.53Å | 1.54Å | |
| C29 | C79 | sing | 1.53Å | 1.53Å | |
| C33 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C79 | sing | 1.53Å | 1.53Å | |
| C39 | S1 | sing | 1.76Å | 1.70Å | Aromatic |
| C49 | C59 | sing | 1.54Å | 1.45Å | |
| C49 | C9 | sing | 1.55Å | 1.58Å | |
| C49 | O23 | sing | 1.45Å | 1.39Å | |
| C59 | C69 | sing | 1.56Å | 1.49Å | |
| N11 | S8 | sing | 1.66Å | 1.74Å | |
| O10 | S8 | doub | 1.42Å | 1.46Å | |
| O9 | S8 | doub | 1.42Å | 1.48Å | |
| C7 | O1 | sing | 1.43Å | 1.68Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C49 | H37 | sing | 1.09Å | 1.10Å | |
| C59 | H38 | sing | 1.09Å | 1.10Å | |
| C69 | H39 | sing | 1.09Å | 1.10Å | |
| C79 | H40 | sing | 1.09Å | 1.10Å | |
| C9 | H41 | sing | 1.09Å | 1.10Å | |
| N20 | H42 | sing | 0.97Å | 1.00Å | |
| O18 | H44 | sing | 0.97Å | 0.95Å | |
| C8 | O1 | sing | 1.42Å | 1.83Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | N2 | 123.8° | 124.8° |
| N1 | C1 | S1 | 110.0° | 110.4° |
| C1 | N1 | C2 | 115.0° | 117.9° |
| N2 | C1 | S1 | 126.3° | 124.8° |
| C1 | N2 | C79 | 120.7° | 120.0° |
| C1 | N2 | H5 | 106.6° | 120.0° |
| C1 | S1 | C39 | 90.2° | 90.5° |
| C3 | C2 | N1 | 127.0° | 128.8° |
| C3 | C2 | C39 | 119.7° | 118.4° |
| C2 | C3 | C4 | 119.9° | 120.4° |
| C2 | C3 | H1 | 120.1° | 119.7° |
| N1 | C2 | C39 | 113.3° | 112.8° |
| C2 | C39 | C6 | 120.8° | 120.4° |
| C2 | C39 | S1 | 111.6° | 108.4° |
| C3 | C4 | C5 | 121.2° | 120.6° |
| C4 | C3 | H1 | 120.1° | 119.8° |
| C3 | C4 | H2 | 119.4° | 119.7° |
| C4 | C5 | C6 | 118.1° | 120.0° |
| C4 | C5 | S8 | 121.8° | 120.0° |
| C5 | C4 | H2 | 119.4° | 119.7° |
| C6 | C5 | S8 | 120.0° | 120.0° |
| C5 | C6 | C39 | 120.3° | 120.2° |
| C5 | C6 | H3 | 119.9° | 119.9° |
| C5 | S8 | N11 | 104.8° | 107.2° |
| C5 | S8 | O10 | 110.0° | 106.4° |
| C5 | S8 | O9 | 108.2° | 106.4° |
| C6 | C39 | S1 | 127.6° | 131.2° |
| C39 | C6 | H3 | 119.9° | 119.9° |
| C69 | C7 | O2 | 109.7° | 100.2° |
| C7 | C69 | C10 | 109.5° | 110.5° |
| C7 | C69 | C59 | 107.2° | 100.0° |
| C69 | C7 | O1 | 108.6° | 111.3° |
| C69 | C7 | H4 | 111.2° | 113.5° |
| C7 | C69 | H39 | 111.7° | 113.3° |
| C7 | O2 | C11 | 107.9° | 104.2° |
| O2 | C7 | O1 | 107.2° | 102.6° |
| O2 | C7 | H4 | 111.8° | 113.9° |
| N2 | C79 | C29 | 112.4° | 117.5° |
| N2 | C79 | C36 | 112.4° | 117.5° |
| C79 | N2 | H5 | 106.6° | 120.0° |
| N2 | C79 | H40 | 120.1° | 115.5° |
| C8 | C9 | C10 | 108.3° | 104.2° |
| C8 | C9 | C49 | 108.8° | 107.8° |
| C9 | C8 | H6 | 109.9° | 109.7° |
| C9 | C8 | H7 | 109.9° | 109.7° |
| C8 | C9 | H41 | 111.7° | 113.1° |
| C9 | C8 | O1 | 107.6° | 108.4° |
| C07 | C06 | C33 | 120.2° | 120.0° |
| C06 | C07 | C08 | 120.1° | 120.0° |
| C06 | C07 | C32 | 120.8° | 120.0° |
| C07 | C06 | H9 | 119.9° | 120.0° |
| C06 | C33 | C35 | 119.6° | 120.0° |
| C33 | C06 | H9 | 119.9° | 120.0° |
| C06 | C33 | H32 | 120.2° | 120.0° |
| C08 | C07 | C32 | 119.1° | 120.0° |
| C07 | C08 | C34 | 119.6° | 120.0° |
| C07 | C08 | H10 | 120.2° | 119.9° |
| C07 | C32 | C19 | 107.1° | 109.5° |
| C07 | C32 | H30 | 110.1° | 109.4° |
| C07 | C32 | H31 | 110.1° | 109.4° |
| C08 | C34 | C35 | 120.3° | 120.0° |
| C34 | C08 | H10 | 120.2° | 120.0° |
| C08 | C34 | H33 | 119.9° | 120.0° |
| C69 | C10 | C9 | 105.8° | 101.5° |
| C10 | C69 | C59 | 106.1° | 104.4° |
| C69 | C10 | H11 | 110.4° | 111.0° |
| C69 | C10 | H12 | 110.4° | 111.0° |
| C10 | C69 | H39 | 111.0° | 113.2° |
| C10 | C9 | C49 | 105.2° | 104.0° |
| C9 | C10 | H11 | 110.4° | 111.0° |
| C9 | C10 | H12 | 110.4° | 111.0° |
| C10 | C9 | H41 | 112.9° | 113.2° |
| C59 | C11 | O2 | 103.3° | 106.8° |
| C11 | C59 | C49 | 111.7° | 109.8° |
| C11 | C59 | C69 | 107.5° | 103.0° |
| C59 | C11 | H13 | 111.0° | 110.0° |
| C59 | C11 | H14 | 111.0° | 110.0° |
| C11 | C59 | H38 | 110.6° | 112.7° |
| O2 | C11 | H13 | 111.0° | 110.0° |
| O2 | C11 | H14 | 111.0° | 110.0° |
| C13 | C12 | N11 | 116.2° | 109.5° |
| C12 | C13 | C14 | 110.7° | 109.4° |
| C12 | C13 | C15 | 114.3° | 109.5° |
| C13 | C12 | H15 | 107.8° | 109.5° |
| C13 | C12 | H16 | 107.8° | 109.5° |
| C12 | C13 | H17 | 106.2° | 109.5° |
| C12 | N11 | C16 | 115.3° | 120.0° |
| C12 | N11 | S8 | 114.3° | 120.0° |
| N11 | C12 | H15 | 107.8° | 109.5° |
| N11 | C12 | H16 | 107.8° | 109.5° |
| C14 | C13 | C15 | 112.2° | 109.5° |
| C14 | C13 | H17 | 106.4° | 109.5° |
| C13 | C14 | H18 | 109.5° | 109.4° |
| C13 | C14 | H19 | 109.4° | 109.5° |
| C13 | C14 | H20 | 109.4° | 109.5° |
| C15 | C13 | H17 | 106.5° | 109.5° |
| C13 | C15 | H21 | 109.5° | 109.5° |
| C13 | C15 | H22 | 109.5° | 109.5° |
| C13 | C15 | H23 | 109.4° | 109.5° |
| C17 | C16 | N11 | 109.6° | 109.5° |
| C16 | C17 | C19 | 109.5° | 109.5° |
| C16 | C17 | O18 | 109.1° | 109.5° |
| C17 | C16 | H24 | 109.4° | 109.5° |
| C17 | C16 | H25 | 109.5° | 109.4° |
| C16 | C17 | H26 | 108.9° | 109.5° |
| C16 | N11 | S8 | 113.9° | 120.0° |
| N11 | C16 | H24 | 109.4° | 109.5° |
| N11 | C16 | H25 | 109.4° | 109.5° |
| C19 | C17 | O18 | 109.0° | 109.4° |
| C17 | C19 | C32 | 111.1° | 109.5° |
| C17 | C19 | N20 | 106.3° | 109.5° |
| C19 | C17 | H26 | 109.1° | 109.5° |
| C17 | C19 | H27 | 110.3° | 109.5° |
| O18 | C17 | H26 | 111.1° | 109.5° |
| C17 | O18 | H44 | 109.5° | 114.0° |
| C32 | C19 | N20 | 107.4° | 109.5° |
| C32 | C19 | H27 | 110.2° | 109.4° |
| C19 | C32 | H30 | 110.1° | 109.5° |
| C19 | C32 | H31 | 110.1° | 109.5° |
| C19 | N20 | C21 | 122.5° | 120.0° |
| N20 | C19 | H27 | 111.4° | 109.5° |
| C19 | N20 | H42 | 118.7° | 120.0° |
| N20 | C21 | O22 | 121.9° | 120.0° |
| N20 | C21 | O23 | 115.0° | 120.0° |
| C21 | N20 | H42 | 118.8° | 120.0° |
| O22 | C21 | O23 | 123.1° | 120.0° |
| C21 | O23 | C49 | 113.6° | 117.0° |
| C36 | C29 | C79 | 59.9° | 60.0° |
| C29 | C36 | C79 | 59.6° | 60.0° |
| C36 | C29 | H28 | 120.0° | 117.5° |
| C36 | C29 | H29 | 120.0° | 117.5° |
| C29 | C36 | H35 | 120.1° | 117.5° |
| C29 | C36 | H36 | 120.1° | 117.5° |
| C29 | C79 | C36 | 60.5° | 60.0° |
| C79 | C29 | H28 | 120.0° | 117.5° |
| C79 | C29 | H29 | 120.0° | 117.5° |
| C29 | C79 | H40 | 118.7° | 117.5° |
| C33 | C35 | C34 | 120.2° | 120.0° |
| C35 | C33 | H32 | 120.2° | 120.0° |
| C33 | C35 | H34 | 119.9° | 120.0° |
| C35 | C34 | H33 | 119.9° | 120.0° |
| C34 | C35 | H34 | 119.9° | 120.0° |
| C79 | C36 | H35 | 120.1° | 117.5° |
| C79 | C36 | H36 | 120.1° | 117.6° |
| C36 | C79 | H40 | 118.6° | 117.5° |
| C59 | C49 | C9 | 105.3° | 107.1° |
| C59 | C49 | O23 | 110.0° | 109.9° |
| C49 | C59 | C69 | 106.0° | 104.8° |
| C59 | C49 | H37 | 111.3° | 109.9° |
| C49 | C59 | H38 | 110.8° | 112.6° |
| C9 | C49 | O23 | 108.4° | 109.9° |
| C9 | C49 | H37 | 109.4° | 109.9° |
| C49 | C9 | H41 | 109.6° | 113.7° |
| O23 | C49 | H37 | 112.2° | 110.0° |
| C69 | C59 | H38 | 110.2° | 113.3° |
| C59 | C69 | H39 | 111.0° | 114.4° |
| N11 | S8 | O10 | 109.2° | 106.4° |
| N11 | S8 | O9 | 110.8° | 106.4° |
| O10 | S8 | O9 | 113.5° | 123.1° |
| O1 | C7 | H4 | 108.1° | 114.1° |
| C7 | O1 | C8 | 106.3° | 119.3° |
| H6 | C8 | H7 | 109.4° | 109.7° |
| H6 | C8 | O1 | 110.0° | 109.7° |
| H7 | C8 | O1 | 110.0° | 109.7° |
| H11 | C10 | H12 | 109.5° | 110.9° |
| H13 | C11 | H14 | 109.5° | 110.0° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H18 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.4° |
| H21 | C15 | H23 | 109.5° | 109.5° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H28 | C29 | H29 | 109.5° | 115.6° |
| H30 | C32 | H31 | 109.5° | 109.4° |
| H35 | C36 | H36 | 109.4° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N2 | S1 | 179.7° | 179.7° |
| C1 | N1 | C2 | C3 | 179.6° | 180.0° |
| C1 | N1 | C2 | C39 | 0.1° | 0.5° |
| N1 | C1 | N2 | C79 | 173.6° | 0.0° |
| N1 | C1 | S1 | C39 | 0.4° | 0.0° |
| N1 | C1 | N2 | H5 | 64.9° | 180.0° |
| N2 | C1 | N1 | C2 | 179.9° | 180.0° |
| C1 | N2 | C79 | H5 | 121.5° | 180.0° |
| C1 | N2 | C79 | C29 | 72.9° | 155.0° |
| C1 | N2 | C79 | C36 | 138.9° | 136.3° |
| N2 | C1 | S1 | C39 | 179.8° | 179.7° |
| C1 | N2 | C79 | H40 | 74.3° | 9.3° |
| S1 | C1 | N1 | C2 | 0.4° | 0.3° |
| C1 | S1 | C39 | C2 | 0.4° | 0.3° |
| C1 | S1 | C39 | C6 | 179.7° | 179.1° |
| S1 | C1 | N2 | C79 | 6.7° | 179.8° |
| S1 | C1 | N2 | H5 | 114.8° | 0.3° |
| C3 | C2 | N1 | C39 | 179.4° | 179.5° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C3 | C2 | C39 | C6 | 0.1° | 1.0° |
| C3 | C2 | C39 | S1 | 179.3° | 180.0° |
| C2 | C3 | C4 | H2 | 179.7° | 179.9° |
| N1 | C2 | C3 | C4 | 179.7° | 179.9° |
| N1 | C2 | C39 | C6 | 179.6° | 179.4° |
| N1 | C2 | C39 | S1 | 0.2° | 0.5° |
| N1 | C2 | C3 | H1 | 0.3° | 0.0° |
| C39 | C2 | C3 | C4 | 0.3° | 0.5° |
| C2 | C39 | C6 | C5 | 0.0° | 1.0° |
| C2 | C39 | C6 | S1 | 179.3° | 178.7° |
| C39 | C2 | C3 | H1 | 179.7° | 179.4° |
| C2 | C39 | C6 | H3 | 180.0° | 179.5° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | S8 | 179.1° | 180.0° |
| C4 | C5 | C6 | S8 | 178.9° | 180.0° |
| C4 | C5 | C6 | C39 | 0.1° | 0.5° |
| C4 | C5 | S8 | N11 | 86.0° | 90.0° |
| C4 | C5 | S8 | O10 | 156.7° | 156.5° |
| C4 | C5 | S8 | O9 | 32.3° | 23.6° |
| C5 | C4 | C3 | H1 | 179.7° | 180.0° |
| C4 | C5 | C6 | H3 | 179.9° | 180.0° |
| C5 | C6 | C39 | H3 | 180.0° | 179.5° |
| C5 | C6 | C39 | S1 | 179.3° | 179.7° |
| C6 | C5 | S8 | N11 | 92.8° | 90.0° |
| C6 | C5 | S8 | O10 | 24.4° | 23.5° |
| C6 | C5 | S8 | O9 | 148.9° | 156.4° |
| C6 | C5 | C4 | H2 | 179.8° | 179.9° |
| S8 | C5 | C6 | C39 | 178.9° | 179.5° |
| C5 | S8 | N11 | C12 | 50.2° | 90.0° |
| C5 | S8 | N11 | C16 | 85.4° | 90.0° |
| C5 | S8 | N11 | O10 | 117.8° | 113.6° |
| C5 | S8 | N11 | O9 | 116.5° | 113.6° |
| C5 | S8 | O10 | O9 | 121.3° | 123.0° |
| S8 | C5 | C4 | H2 | 0.9° | 0.0° |
| S8 | C5 | C6 | H3 | 1.1° | 0.0° |
| C69 | C7 | O2 | O1 | 117.7° | 114.7° |
| C69 | C7 | O2 | H4 | 123.9° | 121.5° |
| C7 | C69 | C10 | C59 | 115.4° | 106.7° |
| C7 | C69 | C10 | H39 | 123.9° | 128.3° |
| C7 | C69 | C10 | C9 | 82.0° | 65.0° |
| C7 | C69 | C59 | C11 | 21.0° | 28.3° |
| C69 | C7 | O2 | C11 | 0.2° | 49.2° |
| C7 | C69 | C59 | C49 | 98.6° | 86.6° |
| C7 | C69 | C59 | H39 | 122.3° | 121.4° |
| C69 | C7 | O1 | H4 | 120.8° | 130.0° |
| C7 | C69 | C10 | H11 | 37.5° | 53.1° |
| C7 | C69 | C10 | H12 | 158.6° | 176.9° |
| C7 | C69 | C59 | H38 | 141.6° | 150.3° |
| C69 | C7 | O1 | C8 | 41.2° | 42.6° |
| O2 | C7 | C69 | C10 | 127.2° | 156.8° |
| C7 | O2 | C11 | C59 | 12.9° | 31.0° |
| O2 | C7 | C69 | C59 | 12.5° | 47.1° |
| O2 | C7 | O1 | H4 | 120.7° | 123.7° |
| C7 | O2 | C11 | H13 | 131.9° | 88.3° |
| C7 | O2 | C11 | H14 | 106.1° | 150.4° |
| O2 | C7 | C69 | H39 | 109.4° | 75.0° |
| O2 | C7 | O1 | C8 | 77.3° | 149.0° |
| N2 | C79 | C36 | C29 | 103.9° | 107.5° |
| N2 | C79 | C29 | H40 | 147.6° | 145.0° |
| N2 | C79 | C36 | H40 | 147.4° | 145.0° |
| N2 | C79 | C29 | H28 | 146.7° | 145.0° |
| N2 | C79 | C29 | H29 | 5.6° | 0.0° |
| N2 | C79 | C36 | H35 | 5.5° | 0.0° |
| N2 | C79 | C36 | H36 | 146.7° | 145.0° |
| C8 | C9 | C10 | C69 | 83.0° | 73.2° |
| C8 | C9 | C10 | C49 | 116.2° | 112.8° |
| C8 | C9 | C10 | H41 | 124.2° | 123.3° |
| C8 | C9 | C49 | C59 | 94.0° | 87.3° |
| C8 | C9 | C49 | H41 | 122.5° | 126.2° |
| C8 | C9 | C49 | O23 | 23.8° | 32.1° |
| C9 | C8 | O1 | C7 | 40.4° | 52.6° |
| C9 | C8 | H6 | H7 | 120.9° | 120.5° |
| C9 | C8 | H6 | O1 | 118.3° | 118.9° |
| C9 | C8 | H7 | O1 | 118.3° | 118.9° |
| C8 | C9 | C10 | H11 | 36.4° | 44.9° |
| C8 | C9 | C10 | H12 | 157.6° | 168.7° |
| C8 | C9 | C49 | H37 | 146.3° | 153.3° |
| C07 | C06 | C33 | H9 | 180.0° | 179.7° |
| C06 | C07 | C08 | C32 | 179.3° | 179.9° |
| C06 | C07 | C08 | C34 | 0.5° | 0.1° |
| C06 | C07 | C32 | C19 | 104.4° | 89.9° |
| C07 | C06 | C33 | C35 | 0.5° | 0.1° |
| C06 | C07 | C08 | H10 | 179.5° | 180.0° |
| C06 | C07 | C32 | H30 | 136.0° | 150.0° |
| C06 | C07 | C32 | H31 | 15.2° | 30.1° |
| C07 | C06 | C33 | H32 | 179.5° | 180.0° |
| C33 | C06 | C07 | C08 | 0.6° | 0.0° |
| C33 | C06 | C07 | C32 | 179.8° | 179.9° |
| C06 | C33 | C35 | H32 | 180.0° | 179.9° |
| C06 | C33 | C35 | C34 | 0.3° | 0.1° |
| C06 | C33 | C35 | H34 | 179.7° | 180.0° |
| C07 | C08 | C34 | H10 | 180.0° | 179.9° |
| C08 | C07 | C32 | C19 | 74.9° | 90.0° |
| C07 | C08 | C34 | C35 | 0.3° | 0.1° |
| C08 | C07 | C06 | H9 | 179.4° | 179.7° |
| C08 | C07 | C32 | H30 | 44.7° | 30.1° |
| C08 | C07 | C32 | H31 | 165.5° | 150.0° |
| C07 | C08 | C34 | H33 | 179.7° | 179.9° |
| C32 | C07 | C08 | C34 | 179.7° | 179.9° |
| C07 | C32 | C19 | C17 | 175.3° | 175.0° |
| C07 | C32 | C19 | H30 | 119.6° | 120.0° |
| C07 | C32 | C19 | H31 | 119.6° | 120.0° |
| C07 | C32 | C19 | N20 | 59.4° | 65.0° |
| C32 | C07 | C06 | H9 | 0.2° | 0.2° |
| C32 | C07 | C08 | H10 | 0.3° | 0.1° |
| C07 | C32 | C19 | H27 | 62.1° | 55.0° |
| C07 | C32 | H30 | H31 | 121.1° | 119.9° |
| C08 | C34 | C35 | C33 | 0.2° | 0.0° |
| C08 | C34 | C35 | H33 | 180.0° | 180.0° |
| C08 | C34 | C35 | H34 | 179.8° | 179.9° |
| C69 | C10 | C9 | H11 | 119.4° | 118.1° |
| C69 | C10 | C9 | H12 | 119.4° | 118.1° |
| C10 | C69 | C59 | C11 | 138.0° | 142.6° |
| C10 | C69 | C59 | C49 | 18.4° | 27.7° |
| C69 | C10 | C9 | C49 | 33.2° | 39.6° |
| C10 | C69 | C59 | H39 | 120.7° | 124.3° |
| C10 | C69 | C7 | O1 | 10.3° | 48.9° |
| C10 | C69 | C7 | H4 | 108.5° | 81.4° |
| C69 | C10 | H11 | H12 | 121.7° | 123.9° |
| C10 | C69 | C59 | H38 | 101.5° | 95.4° |
| C69 | C10 | C9 | H41 | 152.7° | 163.5° |
| C10 | C9 | C49 | C59 | 21.9° | 23.0° |
| C10 | C9 | C49 | H41 | 121.7° | 123.6° |
| C10 | C9 | C49 | O23 | 139.6° | 142.4° |
| C9 | C10 | C69 | C59 | 33.5° | 41.6° |
| C10 | C9 | C8 | H6 | 102.1° | 52.6° |
| C10 | C9 | C8 | H7 | 137.4° | 173.1° |
| C9 | C10 | H11 | H12 | 121.7° | 123.9° |
| C10 | C9 | C49 | H37 | 97.8° | 96.5° |
| C9 | C10 | C69 | H39 | 154.2° | 166.7° |
| C10 | C9 | C8 | O1 | 17.7° | 67.1° |
| C59 | C11 | O2 | H13 | 119.0° | 119.4° |
| C59 | C11 | O2 | H14 | 119.0° | 119.4° |
| C11 | C59 | C49 | C69 | 116.8° | 110.0° |
| C11 | C59 | C49 | H38 | 123.8° | 126.4° |
| C11 | C59 | C49 | C9 | 115.8° | 112.7° |
| C11 | C59 | C49 | O23 | 0.8° | 6.7° |
| C11 | C59 | C69 | H38 | 120.5° | 122.0° |
| C59 | C11 | H13 | H14 | 122.9° | 121.4° |
| C11 | C59 | C49 | H37 | 125.8° | 127.9° |
| C11 | C59 | C69 | H39 | 101.3° | 93.1° |
| O2 | C11 | C59 | C49 | 95.7° | 111.4° |
| O2 | C11 | C59 | C69 | 20.1° | 0.3° |
| C11 | O2 | C7 | O1 | 117.9° | 65.5° |
| C11 | O2 | C7 | H4 | 123.7° | 170.7° |
| O2 | C11 | H13 | H14 | 122.9° | 121.2° |
| O2 | C11 | C59 | H38 | 140.4° | 122.2° |
| C13 | C12 | N11 | H15 | 121.0° | 120.0° |
| C13 | C12 | N11 | H16 | 121.0° | 120.0° |
| C12 | C13 | C14 | C15 | 128.9° | 120.0° |
| C12 | C13 | C14 | H17 | 115.0° | 120.0° |
| C12 | C13 | C15 | H17 | 116.9° | 120.0° |
| C13 | C12 | N11 | C16 | 103.4° | 86.7° |
| C13 | C12 | N11 | S8 | 121.7° | 93.2° |
| C13 | C12 | H15 | H16 | 117.0° | 120.0° |
| C12 | C13 | C14 | H18 | 180.0° | 60.0° |
| C12 | C13 | C14 | H19 | 60.0° | 180.0° |
| C12 | C13 | C14 | H20 | 60.0° | 60.0° |
| C12 | C13 | C15 | H21 | 180.0° | 67.4° |
| C12 | C13 | C15 | H22 | 60.0° | 172.7° |
| C12 | C13 | C15 | H23 | 60.0° | 52.7° |
| N11 | C12 | C13 | C14 | 114.0° | 174.5° |
| N11 | C12 | C13 | C15 | 13.8° | 65.5° |
| C12 | N11 | C16 | C17 | 107.9° | 82.4° |
| C12 | N11 | C16 | S8 | 135.1° | 180.0° |
| C12 | N11 | S8 | O10 | 67.6° | 23.6° |
| C12 | N11 | S8 | O9 | 166.7° | 156.4° |
| N11 | C12 | H15 | H16 | 116.9° | 120.0° |
| N11 | C12 | C13 | H17 | 130.8° | 54.5° |
| C12 | N11 | C16 | H24 | 132.1° | 37.6° |
| C12 | N11 | C16 | H25 | 12.2° | 157.6° |
| C14 | C13 | C15 | H17 | 116.1° | 120.0° |
| C14 | C13 | C12 | H15 | 6.9° | 65.5° |
| C14 | C13 | C12 | H16 | 125.0° | 54.6° |
| C13 | C14 | H18 | H19 | 120.0° | 119.9° |
| C13 | C14 | H18 | H20 | 120.0° | 120.0° |
| C13 | C14 | H19 | H20 | 119.9° | 120.0° |
| C14 | C13 | C15 | H21 | 53.0° | 172.7° |
| C14 | C13 | C15 | H22 | 67.0° | 52.7° |
| C14 | C13 | C15 | H23 | 173.0° | 67.3° |
| C15 | C13 | C12 | H15 | 134.7° | 54.5° |
| C15 | C13 | C12 | H16 | 107.2° | 174.6° |
| C15 | C13 | C14 | H18 | 51.1° | 60.0° |
| C15 | C13 | C14 | H19 | 171.1° | 60.0° |
| C15 | C13 | C14 | H20 | 68.9° | 180.0° |
| C13 | C15 | H21 | H22 | 120.0° | 120.0° |
| C13 | C15 | H21 | H23 | 120.0° | 120.1° |
| C13 | C15 | H22 | H23 | 120.0° | 120.1° |
| C17 | C16 | N11 | H24 | 120.0° | 120.0° |
| C17 | C16 | N11 | H25 | 120.0° | 120.0° |
| C16 | C17 | C19 | O18 | 119.3° | 120.0° |
| C16 | C17 | C19 | H26 | 119.1° | 120.0° |
| C16 | C17 | O18 | H26 | 120.1° | 120.0° |
| C16 | C17 | C19 | C32 | 73.9° | 65.0° |
| C16 | C17 | C19 | N20 | 169.6° | 175.0° |
| C17 | C16 | N11 | S8 | 117.0° | 97.6° |
| C17 | C16 | H24 | H25 | 120.0° | 120.0° |
| C16 | C17 | C19 | H27 | 48.6° | 55.0° |
| C16 | C17 | O18 | H44 | 180.0° | 60.0° |
| N11 | C16 | C17 | C19 | 66.5° | 175.0° |
| N11 | C16 | C17 | O18 | 174.2° | 65.0° |
| C16 | N11 | S8 | O10 | 156.8° | 156.5° |
| C16 | N11 | S8 | O9 | 31.1° | 23.6° |
| C16 | N11 | C12 | H15 | 17.5° | 33.3° |
| C16 | N11 | C12 | H16 | 135.6° | 153.3° |
| N11 | C16 | H24 | H25 | 119.9° | 120.0° |
| N11 | C16 | C17 | H26 | 52.7° | 55.0° |
| C19 | C17 | O18 | H26 | 120.3° | 120.0° |
| C17 | C19 | C32 | N20 | 115.9° | 120.0° |
| C17 | C19 | C32 | H27 | 122.6° | 120.0° |
| C17 | C19 | N20 | H27 | 120.2° | 120.0° |
| C17 | C19 | N20 | C21 | 133.0° | 155.0° |
| C19 | C17 | C16 | H24 | 53.5° | 55.0° |
| C19 | C17 | C16 | H25 | 173.5° | 65.0° |
| C17 | C19 | C32 | H30 | 65.1° | 55.0° |
| C17 | C19 | C32 | H31 | 55.7° | 65.0° |
| C17 | C19 | N20 | H42 | 47.0° | 25.0° |
| C19 | C17 | O18 | H44 | 60.4° | 60.0° |
| O18 | C17 | C19 | C32 | 45.5° | 55.0° |
| O18 | C17 | C19 | N20 | 71.1° | 65.0° |
| O18 | C17 | C16 | H24 | 65.8° | 175.0° |
| O18 | C17 | C16 | H25 | 54.2° | 55.0° |
| O18 | C17 | C19 | H27 | 168.0° | 175.0° |
| C32 | C19 | N20 | H27 | 120.8° | 120.0° |
| C32 | C19 | N20 | C21 | 108.0° | 85.0° |
| C32 | C19 | C17 | H26 | 167.0° | 175.0° |
| C19 | C32 | H30 | H31 | 121.1° | 120.0° |
| C32 | C19 | N20 | H42 | 72.0° | 95.0° |
| C19 | N20 | C21 | H42 | 180.0° | 180.0° |
| C19 | N20 | C21 | O22 | 12.5° | 0.0° |
| C19 | N20 | C21 | O23 | 168.2° | 180.0° |
| N20 | C19 | C17 | H26 | 50.5° | 55.0° |
| N20 | C19 | C32 | H30 | 179.1° | 175.0° |
| N20 | C19 | C32 | H31 | 60.2° | 55.0° |
| N20 | C21 | O22 | O23 | 179.2° | 180.0° |
| N20 | C21 | O23 | C49 | 159.6° | 180.0° |
| C21 | N20 | C19 | H27 | 12.8° | 35.0° |
| O22 | C21 | O23 | C49 | 21.1° | 0.0° |
| O22 | C21 | N20 | H42 | 167.5° | 180.0° |
| C21 | O23 | C49 | C59 | 124.6° | 150.0° |
| C21 | O23 | C49 | C9 | 120.7° | 92.3° |
| C21 | O23 | C49 | H37 | 0.2° | 28.8° |
| O23 | C21 | N20 | H42 | 11.7° | 0.0° |
| C36 | C29 | C79 | H28 | 109.4° | 107.5° |
| C36 | C29 | C79 | H29 | 109.4° | 107.5° |
| C29 | C36 | C79 | H35 | 109.4° | 107.5° |
| C29 | C36 | C79 | H36 | 109.4° | 107.5° |
| C36 | C29 | H28 | H29 | 144.8° | 145.8° |
| C29 | C36 | H35 | H36 | 145.0° | 145.7° |
| C36 | C29 | C79 | H40 | 108.5° | 107.5° |
| C29 | C79 | N2 | H5 | 165.6° | 25.0° |
| C79 | C29 | H28 | H29 | 144.8° | 145.6° |
| C33 | C35 | C34 | H34 | 180.0° | 179.9° |
| C35 | C33 | C06 | H9 | 179.5° | 179.8° |
| C33 | C35 | C34 | H33 | 179.8° | 180.0° |
| C35 | C34 | C08 | H10 | 179.7° | 180.0° |
| C34 | C35 | C33 | H32 | 179.7° | 179.9° |
| C36 | C79 | N2 | H5 | 99.5° | 43.7° |
| C79 | C36 | H35 | H36 | 144.9° | 145.7° |
| S1 | C39 | C6 | H3 | 0.7° | 0.8° |
| C59 | C49 | C9 | O23 | 117.7° | 119.4° |
| C59 | C49 | C9 | H37 | 119.7° | 119.4° |
| C59 | C49 | O23 | H37 | 124.5° | 121.2° |
| C49 | C59 | C69 | H38 | 119.9° | 123.1° |
| C49 | C59 | C11 | H13 | 23.3° | 7.9° |
| C49 | C59 | C11 | H14 | 145.3° | 129.2° |
| C49 | C59 | C69 | H39 | 139.1° | 152.0° |
| C59 | C49 | C9 | H41 | 143.6° | 146.6° |
| C9 | C49 | O23 | H37 | 120.8° | 121.1° |
| C9 | C49 | C59 | C69 | 1.0° | 2.7° |
| C49 | C9 | C8 | H6 | 144.1° | 162.7° |
| C49 | C9 | C8 | H7 | 23.5° | 76.8° |
| C49 | C9 | C10 | H11 | 152.6° | 157.7° |
| C49 | C9 | C10 | H12 | 86.2° | 78.4° |
| C9 | C49 | C59 | H38 | 120.5° | 120.9° |
| C49 | C9 | C8 | O1 | 96.2° | 42.9° |
| O23 | C49 | C59 | C69 | 117.6° | 116.7° |
| O23 | C49 | C59 | H38 | 122.9° | 119.7° |
| O23 | C49 | C9 | H41 | 98.7° | 94.1° |
| C59 | C69 | C7 | O1 | 104.4° | 60.8° |
| C59 | C69 | C7 | H4 | 136.8° | 168.9° |
| C59 | C69 | C10 | H11 | 152.9° | 159.7° |
| C59 | C69 | C10 | H12 | 86.0° | 76.4° |
| C69 | C59 | C11 | H13 | 139.1° | 119.1° |
| C69 | C59 | C11 | H14 | 98.9° | 119.6° |
| C69 | C59 | C49 | H37 | 117.4° | 122.1° |
| N11 | S8 | O10 | O9 | 124.2° | 122.9° |
| S8 | N11 | C12 | H15 | 117.4° | 146.8° |
| S8 | N11 | C12 | H16 | 0.7° | 26.8° |
| S8 | N11 | C16 | H24 | 3.0° | 142.4° |
| S8 | N11 | C16 | H25 | 122.9° | 22.4° |
| C7 | O1 | C8 | H6 | 160.1° | 67.2° |
| C7 | O1 | C8 | H7 | 79.4° | 172.3° |
| O1 | C7 | C69 | H39 | 133.8° | 177.1° |
| H1 | C3 | C4 | H2 | 0.3° | 0.0° |
| H4 | C7 | C69 | H39 | 14.9° | 46.8° |
| H4 | C7 | O1 | C8 | 161.9° | 87.3° |
| H5 | N2 | C79 | H40 | 47.3° | 170.7° |
| H6 | C8 | H7 | O1 | 120.9° | 120.5° |
| H6 | C8 | C9 | H41 | 22.9° | 70.8° |
| H7 | C8 | C9 | H41 | 97.7° | 49.8° |
| H9 | C06 | C33 | H32 | 0.5° | 0.3° |
| H10 | C08 | C34 | H33 | 0.3° | 0.0° |
| H11 | C10 | C69 | H39 | 86.4° | 75.2° |
| H11 | C10 | C9 | H41 | 87.8° | 78.4° |
| H12 | C10 | C69 | H39 | 34.8° | 48.6° |
| H12 | C10 | C9 | H41 | 33.3° | 45.5° |
| H13 | C11 | C59 | H38 | 100.6° | 118.4° |
| H14 | C11 | C59 | H38 | 21.4° | 2.9° |
| H15 | C12 | C13 | H17 | 108.2° | 174.5° |
| H16 | C12 | C13 | H17 | 9.9° | 65.5° |
| H17 | C13 | C14 | H18 | 65.0° | 180.0° |
| H17 | C13 | C14 | H19 | 55.1° | 60.0° |
| H17 | C13 | C14 | H20 | 175.0° | 60.0° |
| H17 | C13 | C15 | H21 | 63.1° | 52.6° |
| H17 | C13 | C15 | H22 | 176.9° | 67.3° |
| H17 | C13 | C15 | H23 | 56.9° | 172.7° |
| H18 | C14 | H19 | H20 | 120.0° | 120.1° |
| H21 | C15 | H22 | H23 | 120.0° | 120.0° |
| H24 | C16 | C17 | H26 | 172.8° | 65.0° |
| H25 | C16 | C17 | H26 | 67.3° | 175.0° |
| H26 | C17 | C19 | H27 | 70.5° | 65.0° |
| H26 | C17 | O18 | H44 | 59.9° | 180.0° |
| H27 | C19 | C32 | H30 | 57.5° | 65.0° |
| H27 | C19 | C32 | H31 | 178.3° | 175.0° |
| H27 | C19 | N20 | H42 | 167.2° | 145.0° |
| H28 | C29 | C36 | H35 | 141.2° | 145.1° |
| H28 | C29 | C36 | H36 | 0.1° | 0.1° |
| H28 | C29 | C79 | H40 | 0.9° | 0.0° |
| H29 | C29 | C36 | H35 | 0.1° | 0.0° |
| H29 | C29 | C36 | H36 | 141.2° | 145.0° |
| H29 | C29 | C79 | H40 | 142.1° | 145.0° |
| H32 | C33 | C35 | H34 | 0.3° | 0.1° |
| H33 | C34 | C35 | H34 | 0.2° | 0.1° |
| H35 | C36 | C79 | H40 | 141.9° | 145.0° |
| H36 | C36 | C79 | H40 | 0.7° | 0.0° |
| H37 | C49 | C59 | H38 | 2.1° | 1.5° |
| H37 | C49 | C9 | H41 | 23.9° | 27.1° |
| H38 | C59 | C69 | H39 | 19.2° | 28.9° |
| H41 | C9 | C8 | O1 | 142.6° | 169.5° |
