G6R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C33 | sing | 1.35Å | 1.33Å | |
| C35 | C33 | doub | 1.38Å | 1.33Å | Aromatic |
| C35 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| F2 | C34 | sing | 1.35Å | 1.30Å | |
| C34 | C08 | doub | 1.38Å | 1.37Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.37Å | 1.43Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.36Å | Aromatic |
| N1 | C2 | sing | 1.35Å | 1.34Å | Aromatic |
| N1 | C1 | doub | 1.29Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.46Å | Aromatic |
| C07 | C32 | sing | 1.51Å | 1.54Å | |
| C2 | C39 | doub | 1.40Å | 1.42Å | Aromatic |
| O9 | S8 | doub | 1.42Å | 1.44Å | |
| N2 | C1 | sing | 1.38Å | 1.38Å | |
| N2 | C79 | sing | 1.46Å | 1.45Å | |
| C1 | S1 | sing | 1.76Å | 1.78Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.72Å | |
| C79 | C36 | sing | 1.53Å | 1.53Å | |
| C79 | C29 | sing | 1.53Å | 1.62Å | |
| C39 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C39 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C32 | C19 | sing | 1.53Å | 1.59Å | |
| S8 | O10 | doub | 1.42Å | 1.39Å | |
| S8 | N11 | sing | 1.66Å | 1.64Å | |
| C36 | C29 | sing | 1.53Å | 1.50Å | |
| C19 | N20 | sing | 1.47Å | 1.48Å | |
| C19 | C17 | sing | 1.53Å | 1.57Å | |
| C11 | C59 | sing | 1.54Å | 1.51Å | |
| C11 | O2 | sing | 1.44Å | 1.47Å | |
| C59 | C69 | sing | 1.56Å | 1.48Å | |
| C59 | C49 | sing | 1.54Å | 1.56Å | |
| N11 | C16 | sing | 1.46Å | 1.44Å | |
| N11 | C12 | sing | 1.46Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| O22 | C21 | doub | 1.21Å | 1.30Å | |
| N20 | C21 | sing | 1.35Å | 1.32Å | |
| C69 | C10 | sing | 1.54Å | 1.48Å | |
| C69 | C7 | sing | 1.55Å | 1.48Å | |
| C17 | O18 | sing | 1.43Å | 1.41Å | |
| C21 | C23 | sing | 1.51Å | 1.54Å | |
| C49 | C23 | sing | 1.53Å | 1.50Å | |
| C49 | C9 | sing | 1.55Å | 1.54Å | |
| O2 | C7 | sing | 1.47Å | 1.42Å | |
| C12 | C13 | sing | 1.53Å | 1.60Å | |
| C10 | C9 | sing | 1.55Å | 1.50Å | |
| C7 | O1 | sing | 1.43Å | 1.46Å | |
| C9 | C8 | sing | 1.54Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| O1 | C8 | sing | 1.42Å | 1.46Å | |
| 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 | H37 | sing | 1.09Å | 1.10Å | |
| N2 | H38 | sing | 0.97Å | 1.00Å | |
| N20 | H39 | sing | 0.97Å | 1.00Å | |
| O18 | H40 | sing | 0.97Å | 0.95Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C33 | C35 | 120.1° | 120.0° |
| F1 | C33 | C06 | 119.6° | 120.0° |
| C33 | C35 | C34 | 119.9° | 119.9° |
| C35 | C33 | C06 | 120.3° | 120.0° |
| C33 | C35 | H25 | 120.0° | 120.1° |
| C35 | C34 | F2 | 119.2° | 120.0° |
| C35 | C34 | C08 | 121.1° | 120.0° |
| C34 | C35 | H25 | 120.0° | 120.0° |
| C33 | C06 | C07 | 120.9° | 120.0° |
| C33 | C06 | H1 | 119.5° | 120.0° |
| F2 | C34 | C08 | 119.7° | 120.1° |
| C34 | C08 | C07 | 118.5° | 120.0° |
| C34 | C08 | H2 | 120.7° | 119.9° |
| C06 | C07 | C08 | 119.1° | 120.1° |
| C06 | C07 | C32 | 121.4° | 120.0° |
| C07 | C06 | H1 | 119.6° | 120.0° |
| C4 | C3 | C2 | 117.1° | 120.4° |
| C3 | C4 | C5 | 123.1° | 120.6° |
| C4 | C3 | H22 | 121.4° | 119.8° |
| C3 | C4 | H28 | 118.5° | 119.6° |
| C3 | C2 | N1 | 121.4° | 128.7° |
| C3 | C2 | C39 | 120.7° | 118.4° |
| C2 | C3 | H22 | 121.4° | 119.8° |
| C2 | N1 | C1 | 109.4° | 117.9° |
| N1 | C2 | C39 | 117.9° | 112.9° |
| N1 | C1 | N2 | 126.1° | 124.8° |
| N1 | C1 | S1 | 113.5° | 110.3° |
| C08 | C07 | C32 | 119.5° | 120.0° |
| C07 | C08 | H2 | 120.7° | 120.0° |
| C4 | C5 | C6 | 117.2° | 119.9° |
| C4 | C5 | S8 | 120.7° | 120.1° |
| C5 | C4 | H28 | 118.4° | 119.7° |
| C07 | C32 | C19 | 108.3° | 109.5° |
| C07 | C32 | H23 | 109.8° | 109.5° |
| C07 | C32 | H24 | 109.8° | 109.5° |
| C2 | C39 | C6 | 122.2° | 120.4° |
| C2 | C39 | S1 | 109.4° | 108.4° |
| O9 | S8 | C5 | 108.4° | 106.4° |
| O9 | S8 | O10 | 120.2° | 123.2° |
| O9 | S8 | N11 | 105.7° | 106.4° |
| C1 | N2 | C79 | 120.3° | 120.0° |
| N2 | C1 | S1 | 118.7° | 124.8° |
| C1 | N2 | H38 | 106.7° | 120.0° |
| N2 | C79 | C36 | 116.4° | 117.5° |
| N2 | C79 | C29 | 110.9° | 117.5° |
| N2 | C79 | H34 | 120.5° | 115.6° |
| C79 | N2 | H38 | 106.7° | 120.0° |
| C1 | S1 | C39 | 89.2° | 90.4° |
| C6 | C5 | S8 | 121.9° | 120.0° |
| C5 | C6 | C39 | 119.5° | 120.2° |
| C5 | C6 | H31 | 120.2° | 119.9° |
| C5 | S8 | O10 | 105.6° | 106.4° |
| C5 | S8 | N11 | 109.6° | 107.2° |
| C36 | C79 | C29 | 56.7° | 60.0° |
| C79 | C36 | C29 | 64.8° | 60.0° |
| C79 | C36 | H26 | 119.1° | 117.5° |
| C79 | C36 | H27 | 119.2° | 117.5° |
| C36 | C79 | H34 | 118.7° | 117.5° |
| C79 | C29 | C36 | 58.5° | 60.0° |
| C79 | C29 | H20 | 120.2° | 117.5° |
| C79 | C29 | H21 | 120.3° | 117.5° |
| C29 | C79 | H34 | 116.9° | 117.5° |
| C6 | C39 | S1 | 128.3° | 131.2° |
| C39 | C6 | H31 | 120.3° | 119.9° |
| C32 | C19 | N20 | 108.6° | 109.5° |
| C32 | C19 | C17 | 114.6° | 109.5° |
| C32 | C19 | H19 | 108.9° | 109.4° |
| C19 | C32 | H23 | 109.8° | 109.5° |
| C19 | C32 | H24 | 109.8° | 109.5° |
| O10 | S8 | N11 | 107.1° | 106.4° |
| S8 | N11 | C16 | 121.4° | 120.0° |
| S8 | N11 | C12 | 113.5° | 120.0° |
| C36 | C29 | H20 | 120.3° | 117.5° |
| C36 | C29 | H21 | 120.3° | 117.5° |
| C29 | C36 | H26 | 119.2° | 117.5° |
| C29 | C36 | H27 | 119.2° | 117.5° |
| N20 | C19 | C17 | 105.2° | 109.5° |
| C19 | N20 | C21 | 127.1° | 120.0° |
| N20 | C19 | H19 | 110.4° | 109.5° |
| C19 | N20 | H39 | 116.4° | 120.0° |
| C19 | C17 | C16 | 110.2° | 109.5° |
| C19 | C17 | O18 | 109.3° | 109.4° |
| C19 | C17 | H18 | 108.9° | 109.5° |
| C17 | C19 | H19 | 109.2° | 109.4° |
| C59 | C11 | O2 | 101.4° | 106.8° |
| C11 | C59 | C69 | 103.0° | 103.0° |
| C11 | C59 | C49 | 124.5° | 109.8° |
| C59 | C11 | H5 | 111.5° | 109.9° |
| C59 | C11 | H6 | 111.4° | 110.0° |
| C11 | C59 | H30 | 109.9° | 112.6° |
| C11 | O2 | C7 | 109.5° | 104.3° |
| O2 | C11 | H5 | 111.5° | 110.0° |
| O2 | C11 | H6 | 111.5° | 110.0° |
| C69 | C59 | C49 | 98.4° | 104.8° |
| C59 | C69 | C10 | 111.6° | 104.4° |
| C59 | C69 | C7 | 105.9° | 100.0° |
| C69 | C59 | H30 | 110.3° | 112.8° |
| C59 | C69 | H32 | 108.3° | 113.7° |
| C59 | C49 | C23 | 113.6° | 109.9° |
| C59 | C49 | C9 | 105.9° | 107.1° |
| C59 | C49 | H29 | 108.1° | 110.1° |
| C49 | C59 | H30 | 109.3° | 113.1° |
| C16 | N11 | C12 | 113.3° | 120.0° |
| N11 | C16 | C17 | 107.9° | 109.5° |
| N11 | C16 | H16 | 109.9° | 109.5° |
| N11 | C16 | H17 | 109.8° | 109.5° |
| N11 | C12 | C13 | 114.2° | 109.5° |
| N11 | C12 | H7 | 108.3° | 109.5° |
| N11 | C12 | H8 | 108.3° | 109.5° |
| C16 | C17 | O18 | 108.5° | 109.4° |
| C17 | C16 | H16 | 109.8° | 109.4° |
| C17 | C16 | H17 | 109.9° | 109.4° |
| C16 | C17 | H18 | 109.0° | 109.5° |
| O22 | C21 | N20 | 120.7° | 120.0° |
| O22 | C21 | C23 | 121.2° | 120.1° |
| N20 | C21 | C23 | 118.1° | 120.0° |
| C21 | N20 | H39 | 116.4° | 120.0° |
| C10 | C69 | C7 | 114.2° | 110.5° |
| C69 | C10 | C9 | 95.4° | 101.5° |
| C69 | C10 | H3 | 112.9° | 111.0° |
| C69 | C10 | H4 | 112.9° | 111.0° |
| C10 | C69 | H32 | 108.4° | 113.2° |
| C69 | C7 | O2 | 106.1° | 100.1° |
| C69 | C7 | O1 | 112.6° | 111.3° |
| C7 | C69 | H32 | 108.3° | 114.0° |
| C69 | C7 | H33 | 109.2° | 113.5° |
| O18 | C17 | H18 | 111.0° | 109.5° |
| C17 | O18 | H40 | 109.5° | 114.0° |
| C21 | C23 | C49 | 110.8° | 109.5° |
| C21 | C23 | H41 | 109.1° | 109.5° |
| C21 | C23 | H42 | 109.1° | 109.5° |
| C23 | C49 | C9 | 111.8° | 109.9° |
| C23 | C49 | H29 | 108.8° | 109.8° |
| C49 | C23 | H41 | 109.1° | 109.4° |
| C49 | C23 | H42 | 109.1° | 109.5° |
| C49 | C9 | C10 | 102.2° | 104.0° |
| C49 | C9 | C8 | 113.7° | 107.8° |
| C9 | C49 | H29 | 108.4° | 109.9° |
| C49 | C9 | H37 | 110.6° | 113.1° |
| O2 | C7 | O1 | 109.2° | 102.6° |
| O2 | C7 | H33 | 110.1° | 114.8° |
| C12 | C13 | C14 | 109.3° | 109.5° |
| C12 | C13 | C15 | 104.7° | 109.5° |
| C13 | C12 | H7 | 108.3° | 109.5° |
| C13 | C12 | H8 | 108.3° | 109.4° |
| C12 | C13 | H9 | 109.0° | 109.5° |
| C10 | C9 | C8 | 108.2° | 104.2° |
| C9 | C10 | H3 | 112.8° | 111.0° |
| C9 | C10 | H4 | 112.9° | 111.0° |
| C10 | C9 | H37 | 111.2° | 113.2° |
| C7 | O1 | C8 | 111.6° | 119.4° |
| O1 | C7 | H33 | 109.6° | 113.3° |
| C9 | C8 | O1 | 114.9° | 108.4° |
| C9 | C8 | H35 | 108.1° | 109.7° |
| C9 | C8 | H36 | 108.1° | 109.7° |
| C8 | C9 | H37 | 110.7° | 113.7° |
| C14 | C13 | C15 | 113.7° | 109.4° |
| C14 | C13 | H9 | 109.8° | 109.5° |
| C13 | C14 | H10 | 109.5° | 109.5° |
| C13 | C14 | H11 | 109.4° | 109.5° |
| C13 | C14 | H12 | 109.4° | 109.4° |
| C15 | C13 | H9 | 110.1° | 109.4° |
| C13 | C15 | H13 | 109.5° | 109.5° |
| C13 | C15 | H14 | 109.5° | 109.5° |
| C13 | C15 | H15 | 109.4° | 109.5° |
| O1 | C8 | H35 | 108.1° | 109.7° |
| O1 | C8 | H36 | 108.1° | 109.7° |
| H3 | C10 | H4 | 109.5° | 111.0° |
| H5 | C11 | H6 | 109.5° | 110.1° |
| H7 | C12 | H8 | 109.4° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H13 | C15 | H14 | 109.5° | 109.4° |
| H13 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.4° |
| H20 | C29 | H21 | 109.4° | 115.5° |
| H23 | C32 | H24 | 109.5° | 109.4° |
| H26 | C36 | H27 | 109.5° | 115.6° |
| H35 | C8 | H36 | 109.5° | 109.7° |
| H41 | C23 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C33 | C35 | C06 | 177.0° | 180.0° |
| F1 | C33 | C35 | C34 | 174.3° | 179.4° |
| F1 | C33 | C06 | C07 | 177.5° | 180.0° |
| F1 | C33 | C06 | H1 | 2.5° | 0.3° |
| F1 | C33 | C35 | H25 | 5.7° | 0.0° |
| C33 | C35 | C34 | H25 | 180.0° | 179.4° |
| C33 | C35 | C34 | F2 | 179.3° | 179.7° |
| C33 | C35 | C34 | C08 | 2.6° | 0.9° |
| C35 | C33 | C06 | C07 | 0.5° | 0.0° |
| C35 | C33 | C06 | H1 | 179.5° | 179.7° |
| C34 | C35 | C33 | C06 | 2.7° | 0.6° |
| C35 | C34 | F2 | C08 | 178.1° | 179.4° |
| C35 | C34 | C08 | C07 | 0.7° | 0.6° |
| C35 | C34 | C08 | H2 | 179.3° | 179.4° |
| C33 | C06 | C07 | H1 | 180.0° | 179.7° |
| C33 | C06 | C07 | C08 | 3.8° | 0.3° |
| C33 | C06 | C07 | C32 | 178.8° | 179.7° |
| C06 | C33 | C35 | H25 | 177.3° | 180.0° |
| F2 | C34 | C08 | C07 | 177.4° | 180.0° |
| F2 | C34 | C08 | H2 | 2.6° | 0.0° |
| F2 | C34 | C35 | H25 | 0.7° | 0.3° |
| C34 | C08 | C07 | C06 | 3.8° | 0.0° |
| C34 | C08 | C07 | H2 | 180.0° | 180.0° |
| C34 | C08 | C07 | C32 | 178.6° | 180.0° |
| C08 | C34 | C35 | H25 | 177.4° | 179.7° |
| C06 | C07 | C08 | C32 | 177.5° | 180.0° |
| C06 | C07 | C32 | C19 | 69.6° | 90.0° |
| C06 | C07 | C08 | H2 | 176.2° | 180.0° |
| C06 | C07 | C32 | H23 | 50.2° | 150.0° |
| C06 | C07 | C32 | H24 | 170.6° | 30.0° |
| C4 | C3 | C2 | H22 | 180.0° | 180.0° |
| C4 | C3 | C2 | N1 | 175.4° | 180.0° |
| C3 | C4 | C5 | H28 | 180.0° | 180.0° |
| C4 | C3 | C2 | C39 | 2.8° | 0.0° |
| C3 | C4 | C5 | C6 | 3.4° | 0.0° |
| C3 | C4 | C5 | S8 | 177.7° | 179.9° |
| C3 | C2 | N1 | C39 | 178.3° | 179.9° |
| C3 | C2 | N1 | C1 | 175.8° | 179.9° |
| C2 | C3 | C4 | C5 | 5.4° | 0.0° |
| C3 | C2 | C39 | C6 | 1.6° | 0.0° |
| C3 | C2 | C39 | S1 | 178.7° | 179.9° |
| C2 | C3 | C4 | H28 | 174.6° | 180.0° |
| C2 | N1 | C1 | N2 | 171.3° | 179.8° |
| C2 | N1 | C1 | S1 | 6.9° | 0.0° |
| N1 | C2 | C39 | C6 | 179.9° | 179.9° |
| N1 | C2 | C39 | S1 | 3.1° | 0.0° |
| N1 | C2 | C3 | H22 | 4.6° | 0.0° |
| C1 | N1 | C2 | C39 | 2.5° | 0.0° |
| N1 | C1 | N2 | S1 | 163.7° | 179.8° |
| N1 | C1 | N2 | C79 | 169.5° | 0.2° |
| N1 | C1 | S1 | C39 | 7.4° | 0.0° |
| N1 | C1 | N2 | H38 | 47.9° | 179.7° |
| C08 | C07 | C32 | C19 | 113.0° | 90.1° |
| C08 | C07 | C06 | H1 | 176.2° | 180.0° |
| C08 | C07 | C32 | H23 | 127.2° | 30.0° |
| C08 | C07 | C32 | H24 | 6.9° | 149.9° |
| C4 | C5 | S8 | O9 | 33.3° | 30.4° |
| C4 | C5 | C6 | S8 | 174.2° | 179.9° |
| C4 | C5 | C6 | C39 | 1.1° | 0.0° |
| C4 | C5 | S8 | O10 | 163.4° | 163.5° |
| C4 | C5 | S8 | N11 | 81.6° | 83.1° |
| C5 | C4 | C3 | H22 | 174.6° | 180.0° |
| C4 | C5 | C6 | H31 | 178.9° | 180.0° |
| C07 | C32 | C19 | H23 | 119.8° | 120.0° |
| C07 | C32 | C19 | H24 | 119.8° | 120.0° |
| C07 | C32 | C19 | N20 | 57.3° | 65.0° |
| C07 | C32 | C19 | C17 | 174.6° | 175.0° |
| C32 | C07 | C06 | H1 | 1.3° | 0.0° |
| C32 | C07 | C08 | H2 | 1.3° | 0.1° |
| C07 | C32 | C19 | H19 | 62.9° | 55.0° |
| C07 | C32 | H23 | H24 | 120.5° | 120.0° |
| C2 | C39 | S1 | C1 | 5.6° | 0.0° |
| C2 | C39 | C6 | C5 | 3.7° | 0.0° |
| C2 | C39 | C6 | S1 | 176.5° | 179.9° |
| C39 | C2 | C3 | H22 | 177.2° | 180.0° |
| C2 | C39 | C6 | H31 | 176.3° | 180.0° |
| O9 | S8 | C5 | C6 | 152.7° | 149.5° |
| O9 | S8 | C5 | O10 | 130.0° | 133.0° |
| O9 | S8 | C5 | N11 | 114.9° | 113.5° |
| O9 | S8 | O10 | N11 | 120.5° | 122.9° |
| O9 | S8 | N11 | C16 | 34.8° | 150.1° |
| O9 | S8 | N11 | C12 | 175.4° | 29.9° |
| C1 | N2 | C79 | H38 | 121.6° | 179.9° |
| C1 | N2 | C79 | C36 | 142.0° | 154.9° |
| C1 | N2 | C79 | C29 | 79.9° | 136.4° |
| N2 | C1 | S1 | C39 | 173.0° | 179.8° |
| C1 | N2 | C79 | H34 | 61.9° | 9.3° |
| C79 | N2 | C1 | S1 | 5.8° | 180.0° |
| N2 | C79 | C36 | C29 | 98.6° | 107.5° |
| N2 | C79 | C36 | H34 | 156.5° | 145.0° |
| N2 | C79 | C29 | H34 | 143.3° | 145.1° |
| N2 | C79 | C29 | H20 | 0.5° | 145.0° |
| N2 | C79 | C29 | H21 | 142.3° | 0.0° |
| N2 | C79 | C36 | H26 | 150.6° | 0.0° |
| N2 | C79 | C36 | H27 | 12.2° | 145.1° |
| C1 | S1 | C39 | C6 | 177.6° | 179.9° |
| S1 | C1 | N2 | H38 | 115.7° | 0.1° |
| C5 | C6 | C39 | H31 | 180.0° | 180.0° |
| C5 | C6 | C39 | S1 | 179.9° | 180.0° |
| C6 | C5 | S8 | O10 | 22.6° | 16.5° |
| C6 | C5 | S8 | N11 | 92.4° | 97.0° |
| C6 | C5 | C4 | H28 | 176.5° | 180.0° |
| S8 | C5 | C6 | C39 | 173.1° | 179.9° |
| C5 | S8 | O10 | N11 | 116.7° | 114.0° |
| C5 | S8 | N11 | C16 | 81.8° | 96.4° |
| C5 | S8 | N11 | C12 | 58.8° | 83.6° |
| S8 | C5 | C4 | H28 | 2.3° | 0.1° |
| S8 | C5 | C6 | H31 | 6.9° | 0.1° |
| C36 | C79 | C29 | H34 | 108.1° | 107.4° |
| C79 | C36 | C29 | H26 | 110.7° | 107.5° |
| C79 | C36 | C29 | H27 | 110.8° | 107.6° |
| C36 | C79 | C29 | H20 | 109.1° | 107.5° |
| C36 | C79 | C29 | H21 | 109.1° | 107.5° |
| C79 | C36 | H26 | H27 | 142.1° | 145.8° |
| C36 | C79 | N2 | H38 | 96.4° | 25.0° |
| C79 | C29 | H20 | H21 | 145.5° | 145.6° |
| C29 | C79 | N2 | H38 | 158.6° | 43.6° |
| S1 | C39 | C6 | H31 | 0.1° | 0.1° |
| C32 | C19 | N20 | C17 | 123.1° | 120.0° |
| C32 | C19 | N20 | H19 | 119.3° | 120.0° |
| C32 | C19 | C17 | H19 | 122.4° | 119.9° |
| C32 | C19 | C17 | C16 | 74.1° | 65.0° |
| C32 | C19 | N20 | C21 | 127.8° | 85.0° |
| C32 | C19 | C17 | O18 | 45.0° | 55.0° |
| C32 | C19 | C17 | H18 | 166.4° | 175.0° |
| C19 | C32 | H23 | H24 | 120.6° | 120.0° |
| C32 | C19 | N20 | H39 | 52.2° | 95.0° |
| O10 | S8 | N11 | C16 | 164.1° | 17.1° |
| O10 | S8 | N11 | C12 | 55.3° | 162.9° |
| S8 | N11 | C16 | C12 | 140.6° | 180.0° |
| S8 | N11 | C16 | C17 | 116.8° | 101.3° |
| S8 | N11 | C12 | C13 | 140.7° | 93.4° |
| S8 | N11 | C12 | H7 | 20.0° | 146.6° |
| S8 | N11 | C12 | H8 | 98.6° | 26.5° |
| S8 | N11 | C16 | H16 | 123.5° | 138.7° |
| S8 | N11 | C16 | H17 | 3.0° | 18.7° |
| C36 | C29 | H20 | H21 | 145.6° | 145.7° |
| C29 | C36 | H26 | H27 | 142.2° | 145.6° |
| N20 | C19 | C17 | H19 | 118.5° | 120.1° |
| N20 | C19 | C17 | C16 | 166.7° | 175.0° |
| C19 | N20 | C21 | O22 | 6.1° | 0.0° |
| C19 | N20 | C21 | H39 | 180.0° | 180.0° |
| N20 | C19 | C17 | O18 | 74.1° | 65.0° |
| C19 | N20 | C21 | C23 | 175.5° | 180.0° |
| N20 | C19 | C17 | H18 | 47.3° | 55.0° |
| N20 | C19 | C32 | H23 | 177.1° | 175.0° |
| N20 | C19 | C32 | H24 | 62.5° | 55.0° |
| C19 | C17 | C16 | N11 | 66.4° | 173.8° |
| C19 | C17 | C16 | O18 | 119.6° | 120.0° |
| C19 | C17 | C16 | H18 | 119.4° | 120.0° |
| C17 | C19 | N20 | C21 | 109.1° | 155.0° |
| C19 | C17 | O18 | H18 | 120.1° | 120.0° |
| C19 | C17 | C16 | H16 | 173.8° | 53.7° |
| C19 | C17 | C16 | H17 | 53.3° | 66.2° |
| C17 | C19 | C32 | H23 | 65.6° | 54.9° |
| C17 | C19 | C32 | H24 | 54.7° | 65.0° |
| C17 | C19 | N20 | H39 | 70.9° | 25.0° |
| C19 | C17 | O18 | H40 | 180.0° | 54.5° |
| C59 | C11 | O2 | H5 | 118.7° | 119.3° |
| C59 | C11 | O2 | H6 | 118.7° | 119.3° |
| C11 | C59 | C69 | C49 | 128.4° | 114.9° |
| C11 | C59 | C69 | H30 | 117.3° | 121.7° |
| C11 | C59 | C49 | H30 | 132.8° | 126.7° |
| C11 | C59 | C69 | C10 | 155.6° | 142.7° |
| C11 | C59 | C69 | C7 | 30.8° | 28.3° |
| C11 | C59 | C49 | C23 | 16.6° | 6.7° |
| C11 | C59 | C49 | C9 | 106.5° | 112.7° |
| C59 | C11 | O2 | C7 | 31.0° | 31.0° |
| C59 | C11 | H5 | H6 | 123.8° | 121.3° |
| C11 | C59 | C49 | H29 | 137.5° | 127.8° |
| C11 | C59 | C69 | H32 | 85.2° | 93.5° |
| O2 | C11 | C59 | C69 | 36.9° | 0.2° |
| O2 | C11 | C59 | C49 | 73.0° | 111.4° |
| C11 | O2 | C7 | C69 | 12.3° | 49.2° |
| C11 | O2 | C7 | O1 | 134.0° | 65.4° |
| O2 | C11 | H5 | H6 | 123.8° | 121.4° |
| O2 | C11 | C59 | H30 | 154.5° | 121.6° |
| C11 | O2 | C7 | H33 | 105.8° | 171.2° |
| C69 | C59 | C49 | H30 | 115.1° | 123.2° |
| C59 | C69 | C10 | C7 | 120.1° | 106.7° |
| C59 | C69 | C10 | H32 | 119.1° | 124.2° |
| C59 | C69 | C7 | H32 | 116.0° | 121.7° |
| C69 | C59 | C49 | C23 | 128.7° | 116.7° |
| C69 | C59 | C49 | C9 | 5.7° | 2.7° |
| C59 | C69 | C7 | O2 | 12.1° | 47.2° |
| C59 | C69 | C10 | C9 | 48.9° | 41.6° |
| C59 | C69 | C7 | O1 | 107.3° | 60.8° |
| C59 | C69 | C10 | H3 | 166.5° | 159.6° |
| C59 | C69 | C10 | H4 | 68.7° | 76.4° |
| C69 | C59 | C11 | H5 | 155.6° | 119.1° |
| C69 | C59 | C11 | H6 | 81.7° | 119.5° |
| C69 | C59 | C49 | H29 | 110.3° | 122.2° |
| C59 | C69 | C7 | H33 | 130.8° | 170.0° |
| C49 | C59 | C69 | C10 | 27.2° | 27.8° |
| C49 | C59 | C69 | C7 | 97.6° | 86.6° |
| C59 | C49 | C23 | C21 | 88.4° | 177.1° |
| C59 | C49 | C23 | C9 | 119.8° | 117.7° |
| C59 | C49 | C23 | H29 | 120.6° | 121.2° |
| C59 | C49 | C9 | H29 | 115.8° | 119.6° |
| C59 | C49 | C9 | C10 | 35.1° | 23.0° |
| C59 | C49 | C9 | C8 | 81.3° | 87.3° |
| C49 | C59 | C11 | H5 | 45.7° | 7.9° |
| C49 | C59 | C11 | H6 | 168.4° | 129.3° |
| C49 | C59 | C69 | H32 | 146.4° | 151.6° |
| C59 | C49 | C9 | H37 | 153.5° | 146.2° |
| C59 | C49 | C23 | H41 | 151.5° | 62.9° |
| C59 | C49 | C23 | H42 | 31.8° | 57.0° |
| N11 | C16 | C17 | H16 | 119.7° | 120.0° |
| N11 | C16 | C17 | H17 | 119.7° | 120.0° |
| N11 | C16 | C17 | O18 | 173.9° | 66.2° |
| C16 | N11 | C12 | C13 | 75.5° | 86.5° |
| C16 | N11 | C12 | H7 | 163.8° | 33.5° |
| C16 | N11 | C12 | H8 | 45.2° | 153.5° |
| N11 | C16 | H16 | H17 | 120.7° | 120.0° |
| N11 | C16 | C17 | H18 | 52.9° | 53.7° |
| C12 | N11 | C16 | C17 | 102.6° | 78.7° |
| N11 | C12 | C13 | H7 | 120.7° | 120.0° |
| N11 | C12 | C13 | H8 | 120.7° | 120.0° |
| N11 | C12 | C13 | C14 | 59.5° | 176.1° |
| N11 | C12 | C13 | C15 | 178.3° | 63.9° |
| N11 | C12 | H7 | H8 | 117.8° | 120.0° |
| N11 | C12 | C13 | H9 | 60.5° | 56.0° |
| C12 | N11 | C16 | H16 | 17.1° | 41.3° |
| C12 | N11 | C16 | H17 | 137.6° | 161.3° |
| C16 | C17 | O18 | H18 | 119.7° | 120.0° |
| C17 | C16 | H16 | H17 | 120.7° | 119.9° |
| C16 | C17 | C19 | H19 | 48.2° | 55.0° |
| C16 | C17 | O18 | H40 | 59.9° | 65.5° |
| O22 | C21 | N20 | C23 | 178.4° | 180.0° |
| O22 | C21 | C23 | C49 | 48.5° | 0.0° |
| O22 | C21 | N20 | H39 | 173.9° | 180.0° |
| O22 | C21 | C23 | H41 | 71.7° | 120.0° |
| O22 | C21 | C23 | H42 | 168.7° | 120.0° |
| N20 | C21 | C23 | C49 | 129.9° | 180.0° |
| C21 | N20 | C19 | H19 | 8.5° | 35.0° |
| N20 | C21 | C23 | H41 | 109.9° | 60.0° |
| N20 | C21 | C23 | H42 | 9.7° | 60.0° |
| C10 | C69 | C7 | H32 | 120.9° | 128.7° |
| C69 | C10 | C9 | C49 | 47.9° | 39.6° |
| C10 | C69 | C7 | O2 | 135.3° | 156.8° |
| C69 | C10 | C9 | H3 | 117.6° | 118.0° |
| C69 | C10 | C9 | H4 | 117.6° | 118.1° |
| C10 | C69 | C7 | O1 | 15.9° | 48.9° |
| C69 | C10 | C9 | C8 | 72.4° | 73.2° |
| C69 | C10 | H3 | H4 | 126.6° | 124.0° |
| C10 | C69 | C59 | H30 | 87.1° | 95.7° |
| C10 | C69 | C7 | H33 | 106.1° | 80.4° |
| C69 | C10 | C9 | H37 | 165.9° | 162.7° |
| C69 | C7 | O2 | O1 | 121.6° | 114.7° |
| C69 | C7 | O2 | H33 | 118.1° | 121.9° |
| C7 | C69 | C10 | C9 | 71.1° | 65.0° |
| C69 | C7 | O1 | H33 | 121.8° | 129.3° |
| C69 | C7 | O1 | C8 | 39.8° | 42.6° |
| C7 | C69 | C10 | H3 | 46.4° | 53.0° |
| C7 | C69 | C10 | H4 | 171.3° | 176.9° |
| C7 | C69 | C59 | H30 | 148.1° | 150.0° |
| O18 | C17 | C16 | H16 | 54.2° | 173.7° |
| O18 | C17 | C16 | H17 | 66.3° | 53.8° |
| O18 | C17 | C19 | H19 | 167.4° | 175.0° |
| C21 | C23 | C49 | H41 | 120.2° | 120.0° |
| C21 | C23 | C49 | H42 | 120.2° | 120.0° |
| C21 | C23 | C49 | C9 | 151.9° | 65.2° |
| C21 | C23 | C49 | H29 | 32.2° | 55.8° |
| C23 | C21 | N20 | H39 | 4.5° | 0.0° |
| C21 | C23 | H41 | H42 | 119.4° | 120.1° |
| C23 | C49 | C9 | H29 | 120.0° | 121.0° |
| C23 | C49 | C9 | C10 | 159.3° | 142.4° |
| C23 | C49 | C9 | C8 | 42.9° | 32.1° |
| C23 | C49 | C59 | H30 | 116.2° | 120.1° |
| C23 | C49 | C9 | H37 | 82.3° | 94.4° |
| C49 | C23 | H41 | H42 | 119.4° | 120.0° |
| C49 | C9 | C10 | C8 | 120.3° | 112.8° |
| C49 | C9 | C10 | H37 | 117.9° | 123.1° |
| C49 | C9 | C8 | H37 | 125.2° | 126.2° |
| C49 | C9 | C8 | O1 | 89.4° | 42.9° |
| C49 | C9 | C10 | H3 | 165.5° | 157.6° |
| C49 | C9 | C10 | H4 | 69.7° | 78.4° |
| C9 | C49 | C59 | H30 | 120.7° | 120.5° |
| C49 | C9 | C8 | H35 | 149.8° | 162.7° |
| C49 | C9 | C8 | H36 | 31.4° | 76.8° |
| C9 | C49 | C23 | H41 | 31.7° | 54.8° |
| C9 | C49 | C23 | H42 | 87.9° | 174.7° |
| O2 | C7 | O1 | H33 | 120.6° | 124.4° |
| O2 | C7 | O1 | C8 | 77.8° | 148.9° |
| C7 | O2 | C11 | H5 | 149.7° | 88.2° |
| C7 | O2 | C11 | H6 | 87.6° | 150.4° |
| O2 | C7 | C69 | H32 | 103.9° | 74.5° |
| C12 | C13 | C14 | C15 | 116.6° | 120.0° |
| C12 | C13 | C14 | H9 | 119.6° | 120.0° |
| C12 | C13 | C15 | H9 | 117.0° | 120.0° |
| C13 | C12 | H7 | H8 | 117.8° | 119.9° |
| C12 | C13 | C14 | H10 | 180.0° | 60.0° |
| C12 | C13 | C14 | H11 | 60.0° | 180.0° |
| C12 | C13 | C14 | H12 | 60.0° | 60.0° |
| C12 | C13 | C15 | H13 | 180.0° | 52.7° |
| C12 | C13 | C15 | H14 | 60.0° | 67.3° |
| C12 | C13 | C15 | H15 | 60.0° | 172.7° |
| C10 | C9 | C8 | H37 | 122.1° | 123.7° |
| C10 | C9 | C8 | O1 | 23.4° | 67.1° |
| C9 | C10 | H3 | H4 | 126.6° | 124.0° |
| C10 | C9 | C49 | H29 | 80.7° | 96.6° |
| C9 | C10 | C69 | H32 | 168.0° | 165.8° |
| C10 | C9 | C8 | H35 | 97.4° | 52.6° |
| C10 | C9 | C8 | H36 | 144.2° | 173.1° |
| C7 | O1 | C8 | C9 | 35.7° | 52.5° |
| O1 | C7 | C69 | H32 | 136.7° | 177.6° |
| C7 | O1 | C8 | H35 | 156.5° | 67.2° |
| C7 | O1 | C8 | H36 | 85.1° | 172.3° |
| C9 | C8 | O1 | H35 | 120.8° | 119.7° |
| C9 | C8 | O1 | H36 | 120.8° | 119.7° |
| C8 | C9 | C10 | H3 | 45.2° | 44.8° |
| C8 | C9 | C10 | H4 | 170.0° | 168.7° |
| C8 | C9 | C49 | H29 | 162.9° | 153.1° |
| C9 | C8 | H35 | H36 | 117.5° | 120.5° |
| C14 | C13 | C15 | H9 | 123.7° | 120.0° |
| C14 | C13 | C12 | H7 | 61.2° | 63.9° |
| C14 | C13 | C12 | H8 | 179.7° | 56.1° |
| C13 | C14 | H10 | H11 | 120.0° | 120.1° |
| C13 | C14 | H10 | H12 | 120.0° | 120.0° |
| C13 | C14 | H11 | H12 | 119.9° | 119.9° |
| C14 | C13 | C15 | H13 | 60.7° | 67.4° |
| C14 | C13 | C15 | H14 | 59.3° | 172.7° |
| C14 | C13 | C15 | H15 | 179.3° | 52.7° |
| C15 | C13 | C12 | H7 | 61.0° | 56.1° |
| C15 | C13 | C12 | H8 | 57.6° | 176.0° |
| C15 | C13 | C14 | H10 | 63.4° | 60.1° |
| C15 | C13 | C14 | H11 | 176.6° | 60.0° |
| C15 | C13 | C14 | H12 | 56.6° | 179.9° |
| C13 | C15 | H13 | H14 | 120.0° | 120.0° |
| C13 | C15 | H13 | H15 | 120.0° | 120.1° |
| C13 | C15 | H14 | H15 | 120.0° | 120.1° |
| C8 | O1 | C7 | H33 | 161.6° | 86.7° |
| O1 | C8 | H35 | H36 | 117.5° | 120.6° |
| O1 | C8 | C9 | H37 | 145.5° | 169.1° |
| H3 | C10 | C69 | H32 | 74.4° | 76.2° |
| H3 | C10 | C9 | H37 | 76.5° | 79.3° |
| H4 | C10 | C69 | H32 | 50.4° | 47.7° |
| H4 | C10 | C9 | H37 | 48.3° | 44.7° |
| H5 | C11 | C59 | H30 | 86.8° | 119.1° |
| H6 | C11 | C59 | H30 | 35.8° | 2.2° |
| H7 | C12 | C13 | H9 | 178.8° | 176.1° |
| H8 | C12 | C13 | H9 | 60.2° | 64.0° |
| H9 | C13 | C14 | H10 | 60.4° | 180.0° |
| H9 | C13 | C14 | H11 | 59.6° | 59.9° |
| H9 | C13 | C14 | H12 | 179.5° | 60.0° |
| H9 | C13 | C15 | H13 | 63.0° | 172.7° |
| H9 | C13 | C15 | H14 | 177.0° | 52.7° |
| H9 | C13 | C15 | H15 | 57.0° | 67.3° |
| H10 | C14 | H11 | H12 | 120.0° | 120.0° |
| H13 | C15 | H14 | H15 | 120.0° | 120.0° |
| H16 | C16 | C17 | H18 | 66.8° | 66.3° |
| H17 | C16 | C17 | H18 | 172.7° | 173.8° |
| H18 | C17 | C19 | H19 | 71.2° | 65.1° |
| H18 | C17 | O18 | H40 | 59.9° | 174.5° |
| H19 | C19 | C32 | H23 | 56.9° | 65.0° |
| H19 | C19 | C32 | H24 | 177.3° | 175.0° |
| H19 | C19 | N20 | H39 | 171.5° | 145.0° |
| H20 | C29 | C36 | H26 | 140.2° | 145.0° |
| H20 | C29 | C36 | H27 | 1.7° | 0.1° |
| H20 | C29 | C79 | H34 | 142.8° | 0.1° |
| H21 | C29 | C36 | H26 | 1.6° | 0.0° |
| H21 | C29 | C36 | H27 | 140.1° | 145.0° |
| H21 | C29 | C79 | H34 | 1.0° | 145.1° |
| H22 | C3 | C4 | H28 | 5.4° | 0.0° |
| H26 | C36 | C79 | H34 | 5.9° | 145.0° |
| H27 | C36 | C79 | H34 | 144.3° | 0.1° |
| H29 | C49 | C59 | H30 | 4.8° | 1.0° |
| H29 | C49 | C9 | H37 | 37.7° | 26.6° |
| H29 | C49 | C23 | H41 | 88.0° | 175.8° |
| H29 | C49 | C23 | H42 | 152.4° | 64.2° |
| H30 | C59 | C69 | H32 | 32.1° | 28.1° |
| H32 | C69 | C7 | H33 | 14.8° | 48.4° |
| H34 | C79 | N2 | H38 | 59.6° | 170.7° |
| H35 | C8 | C9 | H37 | 24.7° | 71.1° |
| H36 | C8 | C9 | H37 | 93.7° | 49.4° |
