Q1D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C36 | doub | 1.38Å | 1.37Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.37Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.37Å | Aromatic |
| O4 | B1 | sing | 1.42Å | 1.44Å | |
| C39 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C39 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C38 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| B1 | C2 | sing | 1.57Å | 1.55Å | |
| B1 | O3 | sing | 1.42Å | 1.43Å | |
| C33 | C32 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| O9 | S8 | doub | 1.42Å | 1.43Å | |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.36Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.69Å | |
| C32 | C19 | sing | 1.53Å | 1.57Å | |
| S8 | O10 | doub | 1.42Å | 1.42Å | |
| S8 | N11 | sing | 1.66Å | 1.63Å | |
| C19 | N20 | sing | 1.46Å | 1.48Å | |
| C19 | C17 | sing | 1.53Å | 1.58Å | |
| C11 | C59 | sing | 1.54Å | 1.52Å | |
| C11 | O2 | sing | 1.47Å | 1.40Å | |
| C59 | C69 | sing | 1.59Å | 1.48Å | |
| C59 | C49 | sing | 1.54Å | 1.51Å | |
| O22 | C21 | doub | 1.22Å | 1.20Å | |
| N11 | C16 | sing | 1.46Å | 1.48Å | |
| N11 | C12 | sing | 1.46Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| N20 | C21 | sing | 1.35Å | 1.33Å | |
| C21 | O23 | sing | 1.35Å | 1.37Å | |
| C69 | C7 | sing | 1.55Å | 1.53Å | |
| C69 | C10 | sing | 1.54Å | 1.49Å | |
| C17 | O18 | sing | 1.43Å | 1.41Å | |
| C49 | O23 | sing | 1.45Å | 1.40Å | |
| C49 | C9 | sing | 1.55Å | 1.54Å | |
| O2 | C7 | sing | 1.47Å | 1.49Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C7 | O1 | sing | 1.43Å | 1.44Å | |
| C10 | C9 | sing | 1.55Å | 1.51Å | |
| C9 | C8 | sing | 1.54Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| C13 | C15 | sing | 1.53Å | 1.48Å | |
| O1 | C8 | sing | 1.42Å | 1.43Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C34 | H10 | sing | 1.08Å | 1.08Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C49 | H23 | sing | 1.09Å | 1.10Å | |
| C69 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C59 | H27 | sing | 1.09Å | 1.10Å | |
| N20 | H28 | sing | 0.97Å | 1.00Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H30 | sing | 1.08Å | 1.08Å | |
| C37 | H31 | sing | 1.08Å | 1.08Å | |
| C36 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| O18 | H34 | sing | 0.97Å | 0.95Å | |
| C12 | H35 | sing | 1.09Å | 1.10Å | |
| C12 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H37 | sing | 1.08Å | 1.08Å | |
| O4 | H38 | sing | 0.97Å | 0.95Å | |
| O3 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | C34 | 118.3° | 120.0° |
| C35 | C36 | C37 | 123.1° | 120.0° |
| C35 | C36 | H32 | 118.4° | 120.0° |
| C36 | C35 | H33 | 120.8° | 120.0° |
| C35 | C34 | C33 | 119.3° | 120.0° |
| C35 | C34 | H10 | 120.3° | 120.0° |
| C34 | C35 | H33 | 120.8° | 120.0° |
| C36 | C37 | C38 | 118.3° | 120.0° |
| C36 | C37 | H31 | 120.9° | 120.0° |
| C37 | C36 | H32 | 118.4° | 120.0° |
| C34 | C33 | C38 | 119.3° | 120.0° |
| C34 | C33 | C32 | 119.5° | 120.0° |
| C33 | C34 | H10 | 120.3° | 120.0° |
| C37 | C38 | C33 | 121.5° | 120.0° |
| C37 | C38 | H30 | 119.3° | 120.0° |
| C38 | C37 | H31 | 120.8° | 120.0° |
| O4 | B1 | C2 | 116.4° | 120.0° |
| O4 | B1 | O3 | 121.2° | 120.0° |
| B1 | O4 | H38 | 109.5° | 113.9° |
| C2 | C39 | C6 | 119.5° | 119.9° |
| C39 | C2 | B1 | 122.2° | 120.1° |
| C39 | C2 | C3 | 118.2° | 119.7° |
| C2 | C39 | H37 | 120.2° | 120.0° |
| C39 | C6 | C5 | 121.5° | 120.1° |
| C39 | C6 | H1 | 119.2° | 119.9° |
| C6 | C39 | H37 | 120.3° | 120.1° |
| C38 | C33 | C32 | 121.1° | 120.0° |
| C33 | C38 | H30 | 119.3° | 120.0° |
| C2 | B1 | O3 | 122.3° | 120.0° |
| B1 | C2 | C3 | 119.5° | 120.1° |
| B1 | O3 | H39 | 109.5° | 114.0° |
| C33 | C32 | C19 | 109.1° | 109.5° |
| C33 | C32 | H11 | 109.6° | 109.5° |
| C33 | C32 | H12 | 109.6° | 109.5° |
| C2 | C3 | C4 | 119.2° | 119.9° |
| C2 | C3 | H3 | 120.4° | 120.0° |
| C6 | C5 | C4 | 116.3° | 120.3° |
| C6 | C5 | S8 | 123.8° | 119.8° |
| C5 | C6 | H1 | 119.3° | 120.0° |
| O9 | S8 | C5 | 108.1° | 106.4° |
| O9 | S8 | O10 | 119.8° | 123.1° |
| O9 | S8 | N11 | 105.7° | 106.4° |
| C3 | C4 | C5 | 124.6° | 120.1° |
| C3 | C4 | H2 | 117.7° | 120.0° |
| C4 | C3 | H3 | 120.4° | 120.1° |
| C4 | C5 | S8 | 119.9° | 119.9° |
| C5 | C4 | H2 | 117.7° | 119.9° |
| C5 | S8 | O10 | 108.7° | 106.4° |
| C5 | S8 | N11 | 111.0° | 107.2° |
| C32 | C19 | N20 | 108.8° | 109.5° |
| C32 | C19 | C17 | 114.5° | 109.5° |
| C19 | C32 | H11 | 109.5° | 109.4° |
| C19 | C32 | H12 | 109.6° | 109.5° |
| C32 | C19 | H29 | 108.5° | 109.4° |
| O10 | S8 | N11 | 103.3° | 106.4° |
| S8 | N11 | C16 | 116.6° | 120.0° |
| S8 | N11 | C12 | 114.7° | 120.0° |
| N20 | C19 | C17 | 106.9° | 109.5° |
| C19 | N20 | C21 | 122.4° | 120.0° |
| C19 | N20 | H28 | 118.8° | 120.0° |
| N20 | C19 | H29 | 109.7° | 109.5° |
| C19 | C17 | C16 | 111.2° | 109.5° |
| C19 | C17 | O18 | 109.7° | 109.4° |
| C19 | C17 | H22 | 107.0° | 109.5° |
| C17 | C19 | H29 | 108.4° | 109.4° |
| C59 | C11 | O2 | 109.4° | 106.2° |
| C11 | C59 | C69 | 104.9° | 103.0° |
| C11 | C59 | C49 | 117.0° | 110.2° |
| C59 | C11 | H6 | 109.5° | 110.0° |
| C59 | C11 | H7 | 109.5° | 110.0° |
| C11 | C59 | H27 | 109.7° | 112.6° |
| C11 | O2 | C7 | 104.5° | 104.4° |
| O2 | C11 | H6 | 109.5° | 110.0° |
| O2 | C11 | H7 | 109.5° | 110.6° |
| C69 | C59 | C49 | 105.1° | 104.4° |
| C59 | C69 | C7 | 101.4° | 99.6° |
| C59 | C69 | C10 | 105.6° | 104.2° |
| C59 | C69 | H24 | 112.1° | 115.0° |
| C69 | C59 | H27 | 110.2° | 112.8° |
| C59 | C49 | O23 | 113.1° | 109.9° |
| C59 | C49 | C9 | 103.9° | 107.1° |
| C59 | C49 | H23 | 108.2° | 110.0° |
| C49 | C59 | H27 | 109.7° | 113.0° |
| O22 | C21 | N20 | 129.7° | 120.0° |
| O22 | C21 | O23 | 119.6° | 120.0° |
| C16 | N11 | C12 | 115.6° | 120.1° |
| N11 | C16 | C17 | 110.8° | 109.5° |
| N11 | C16 | H20 | 109.2° | 109.4° |
| N11 | C16 | H21 | 109.1° | 109.5° |
| N11 | C12 | C13 | 111.2° | 109.5° |
| N11 | C12 | H35 | 109.0° | 109.5° |
| N11 | C12 | H36 | 109.1° | 109.5° |
| C16 | C17 | O18 | 112.0° | 109.4° |
| C17 | C16 | H20 | 109.2° | 109.5° |
| C17 | C16 | H21 | 109.1° | 109.5° |
| C16 | C17 | H22 | 107.6° | 109.5° |
| N20 | C21 | O23 | 110.4° | 120.0° |
| C21 | N20 | H28 | 118.8° | 120.0° |
| C21 | O23 | C49 | 119.0° | 117.0° |
| C7 | C69 | C10 | 113.6° | 110.5° |
| C69 | C7 | O2 | 110.6° | 100.2° |
| C69 | C7 | O1 | 110.8° | 111.2° |
| C69 | C7 | H5 | 108.8° | 114.2° |
| C7 | C69 | H24 | 111.4° | 113.3° |
| C69 | C10 | C9 | 99.0° | 101.4° |
| C69 | C10 | H8 | 112.0° | 111.0° |
| C69 | C10 | H9 | 112.0° | 111.0° |
| C10 | C69 | H24 | 112.0° | 113.2° |
| O18 | C17 | H22 | 109.1° | 109.5° |
| C17 | O18 | H34 | 109.5° | 114.0° |
| O23 | C49 | C9 | 113.6° | 110.0° |
| O23 | C49 | H23 | 109.7° | 109.9° |
| C49 | C9 | C10 | 100.2° | 104.8° |
| C49 | C9 | C8 | 112.3° | 107.8° |
| C49 | C9 | H4 | 111.3° | 113.1° |
| C9 | C49 | H23 | 107.9° | 109.9° |
| O2 | C7 | O1 | 107.3° | 102.6° |
| O2 | C7 | H5 | 109.3° | 114.0° |
| C12 | C13 | C14 | 111.7° | 109.5° |
| C12 | C13 | C15 | 104.7° | 109.5° |
| C12 | C13 | H13 | 108.3° | 109.4° |
| C13 | C12 | H35 | 109.1° | 109.5° |
| C13 | C12 | H36 | 109.0° | 109.5° |
| C7 | O1 | C8 | 115.3° | 119.4° |
| O1 | C7 | H5 | 110.0° | 113.3° |
| C10 | C9 | C8 | 109.8° | 104.2° |
| C10 | C9 | H4 | 111.7° | 113.2° |
| C9 | C10 | H8 | 112.0° | 111.0° |
| C9 | C10 | H9 | 112.0° | 111.0° |
| C9 | C8 | O1 | 112.4° | 108.4° |
| C8 | C9 | H4 | 111.1° | 113.0° |
| C9 | C8 | H25 | 108.7° | 109.7° |
| C9 | C8 | H26 | 108.7° | 109.7° |
| C14 | C13 | C15 | 114.1° | 109.5° |
| C14 | C13 | H13 | 108.8° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.4° |
| C13 | C14 | H15 | 109.4° | 109.5° |
| C13 | C14 | H16 | 109.4° | 109.5° |
| C15 | C13 | H13 | 109.0° | 109.5° |
| C13 | C15 | H17 | 109.5° | 109.5° |
| C13 | C15 | H18 | 109.4° | 109.5° |
| C13 | C15 | H19 | 109.5° | 109.5° |
| O1 | C8 | H25 | 108.8° | 109.7° |
| O1 | C8 | H26 | 108.8° | 109.7° |
| H6 | C11 | H7 | 109.5° | 109.9° |
| H8 | C10 | H9 | 109.5° | 111.0° |
| H11 | C32 | H12 | 109.5° | 109.4° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H14 | C14 | H16 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.4° |
| H17 | C15 | H19 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.4° |
| H20 | C16 | H21 | 109.4° | 109.5° |
| H25 | C8 | H26 | 109.5° | 109.6° |
| H35 | C12 | H36 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | C34 | H33 | 180.0° | 179.5° |
| C35 | C36 | C37 | H32 | 180.0° | 179.8° |
| C36 | C35 | C34 | C33 | 0.3° | 0.5° |
| C35 | C36 | C37 | C38 | 1.9° | 0.3° |
| C36 | C35 | C34 | H10 | 179.7° | 179.8° |
| C35 | C36 | C37 | H31 | 178.1° | 179.8° |
| C34 | C35 | C36 | C37 | 2.4° | 0.5° |
| C35 | C34 | C33 | H10 | 180.0° | 179.7° |
| C35 | C34 | C33 | C38 | 2.3° | 0.2° |
| C35 | C34 | C33 | C32 | 175.4° | 179.7° |
| C34 | C35 | C36 | H32 | 177.6° | 179.7° |
| C36 | C37 | C38 | H31 | 180.0° | 179.9° |
| C36 | C37 | C38 | C33 | 0.8° | 0.0° |
| C36 | C37 | C38 | H30 | 179.2° | 180.0° |
| C37 | C36 | C35 | H33 | 177.6° | 180.0° |
| C34 | C33 | C38 | C37 | 2.9° | 0.1° |
| C34 | C33 | C38 | C32 | 177.6° | 179.9° |
| C34 | C33 | C32 | C19 | 76.3° | 90.0° |
| C34 | C33 | C32 | H11 | 43.6° | 150.0° |
| C34 | C33 | C32 | H12 | 163.7° | 30.1° |
| C34 | C33 | C38 | H30 | 177.1° | 180.0° |
| C33 | C34 | C35 | H33 | 179.7° | 180.0° |
| C37 | C38 | C33 | H30 | 180.0° | 180.0° |
| C37 | C38 | C33 | C32 | 174.8° | 180.0° |
| C38 | C37 | C36 | H32 | 178.1° | 180.0° |
| O4 | B1 | C2 | C39 | 0.7° | 0.3° |
| O4 | B1 | C2 | O3 | 176.0° | 180.0° |
| O4 | B1 | C2 | C3 | 177.6° | 180.0° |
| O4 | B1 | O3 | H39 | 180.0° | 0.0° |
| C2 | C39 | C6 | H37 | 180.0° | 179.5° |
| C39 | C2 | B1 | C3 | 176.9° | 179.7° |
| C39 | C2 | B1 | O3 | 175.2° | 179.7° |
| C2 | C39 | C6 | C5 | 5.6° | 0.6° |
| C39 | C2 | C3 | C4 | 5.9° | 0.2° |
| C2 | C39 | C6 | H1 | 174.4° | 179.8° |
| C39 | C2 | C3 | H3 | 174.0° | 180.0° |
| C6 | C39 | C2 | B1 | 178.1° | 179.7° |
| C6 | C39 | C2 | C3 | 1.2° | 0.5° |
| C39 | C6 | C5 | H1 | 180.0° | 179.7° |
| C39 | C6 | C5 | C4 | 2.6° | 0.3° |
| C39 | C6 | C5 | S8 | 175.9° | 179.8° |
| C38 | C33 | C32 | C19 | 101.3° | 90.0° |
| C38 | C33 | C34 | H10 | 177.7° | 179.9° |
| C38 | C33 | C32 | H11 | 138.8° | 30.1° |
| C38 | C33 | C32 | H12 | 18.7° | 150.0° |
| C33 | C38 | C37 | H31 | 179.2° | 179.9° |
| B1 | C2 | C3 | C4 | 171.1° | 180.0° |
| B1 | C2 | C3 | H3 | 8.9° | 0.2° |
| B1 | C2 | C39 | H37 | 1.9° | 0.2° |
| C2 | B1 | O4 | H38 | 180.0° | 180.0° |
| C2 | B1 | O3 | H39 | 4.2° | 180.0° |
| O3 | B1 | C2 | C3 | 1.7° | 0.0° |
| O3 | B1 | O4 | H38 | 4.0° | 0.0° |
| C33 | C32 | C19 | H11 | 119.9° | 120.1° |
| C33 | C32 | C19 | H12 | 120.0° | 120.0° |
| C33 | C32 | C19 | N20 | 58.8° | 65.0° |
| C33 | C32 | C19 | C17 | 178.3° | 175.0° |
| C32 | C33 | C34 | H10 | 4.6° | 0.0° |
| C33 | C32 | H11 | H12 | 120.2° | 120.0° |
| C33 | C32 | C19 | H29 | 60.5° | 55.0° |
| C32 | C33 | C38 | H30 | 5.2° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 9.5° | 0.0° |
| C2 | C3 | C4 | H2 | 170.5° | 180.0° |
| C3 | C2 | C39 | H37 | 178.8° | 180.0° |
| C6 | C5 | S8 | O9 | 31.7° | 163.3° |
| C6 | C5 | C4 | C3 | 5.0° | 0.0° |
| C6 | C5 | C4 | S8 | 178.6° | 179.9° |
| C6 | C5 | S8 | O10 | 163.3° | 30.4° |
| C6 | C5 | S8 | N11 | 83.8° | 83.1° |
| C6 | C5 | C4 | H2 | 174.9° | 180.0° |
| C5 | C6 | C39 | H37 | 174.4° | 179.9° |
| O9 | S8 | C5 | C4 | 149.8° | 16.6° |
| O9 | S8 | C5 | O10 | 131.6° | 132.9° |
| O9 | S8 | C5 | N11 | 115.5° | 113.5° |
| O9 | S8 | O10 | N11 | 117.1° | 123.0° |
| O9 | S8 | N11 | C16 | 29.2° | 30.5° |
| O9 | S8 | N11 | C12 | 168.8° | 149.5° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | S8 | 176.4° | 180.0° |
| C4 | C5 | S8 | O10 | 18.3° | 149.5° |
| C4 | C5 | S8 | N11 | 94.7° | 96.9° |
| C4 | C5 | C6 | H1 | 177.4° | 180.0° |
| C5 | C4 | C3 | H3 | 170.5° | 179.8° |
| C5 | S8 | O10 | N11 | 118.0° | 114.1° |
| C5 | S8 | N11 | C16 | 87.8° | 83.0° |
| C5 | S8 | N11 | C12 | 51.9° | 97.0° |
| S8 | C5 | C6 | H1 | 4.1° | 0.1° |
| S8 | C5 | C4 | H2 | 3.6° | 0.1° |
| C32 | C19 | N20 | C17 | 124.1° | 120.0° |
| C32 | C19 | N20 | H29 | 118.5° | 120.0° |
| C32 | C19 | C17 | H29 | 121.3° | 120.0° |
| C32 | C19 | C17 | C16 | 73.8° | 64.9° |
| C32 | C19 | N20 | C21 | 106.7° | 85.0° |
| C32 | C19 | C17 | O18 | 50.7° | 55.0° |
| C19 | C32 | H11 | H12 | 120.2° | 120.0° |
| C32 | C19 | C17 | H22 | 168.9° | 175.0° |
| C32 | C19 | N20 | H28 | 73.3° | 95.0° |
| O10 | S8 | N11 | C16 | 155.8° | 163.4° |
| O10 | S8 | N11 | C12 | 64.5° | 16.6° |
| S8 | N11 | C16 | C12 | 139.3° | 180.0° |
| S8 | N11 | C16 | C17 | 116.8° | 103.1° |
| S8 | N11 | C12 | C13 | 141.3° | 95.0° |
| S8 | N11 | C16 | H20 | 123.0° | 137.0° |
| S8 | N11 | C16 | H21 | 3.4° | 17.0° |
| S8 | N11 | C12 | H35 | 21.0° | 145.0° |
| S8 | N11 | C12 | H36 | 98.5° | 25.0° |
| N20 | C19 | C17 | H29 | 118.2° | 120.0° |
| C19 | N20 | C21 | O22 | 7.5° | 0.0° |
| N20 | C19 | C17 | C16 | 165.7° | 175.0° |
| C19 | N20 | C21 | H28 | 180.0° | 180.0° |
| C19 | N20 | C21 | O23 | 166.2° | 180.0° |
| N20 | C19 | C17 | O18 | 69.8° | 65.0° |
| N20 | C19 | C32 | H11 | 178.7° | 175.0° |
| N20 | C19 | C32 | H12 | 61.2° | 55.1° |
| N20 | C19 | C17 | H22 | 48.4° | 55.0° |
| C19 | C17 | C16 | N11 | 67.0° | 172.7° |
| C19 | C17 | C16 | O18 | 123.2° | 120.0° |
| C19 | C17 | C16 | H22 | 116.9° | 120.0° |
| C17 | C19 | N20 | C21 | 129.2° | 155.0° |
| C19 | C17 | O18 | H22 | 116.9° | 120.0° |
| C17 | C19 | C32 | H11 | 61.7° | 54.9° |
| C17 | C19 | C32 | H12 | 58.4° | 65.0° |
| C19 | C17 | C16 | H20 | 172.8° | 52.8° |
| C19 | C17 | C16 | H21 | 53.2° | 67.2° |
| C17 | C19 | N20 | H28 | 50.8° | 25.0° |
| C19 | C17 | O18 | H34 | 180.0° | 54.4° |
| C59 | C11 | O2 | H6 | 120.0° | 119.0° |
| C59 | C11 | O2 | H7 | 120.0° | 119.3° |
| C11 | C59 | C69 | C49 | 123.9° | 115.2° |
| C11 | C59 | C69 | H27 | 118.0° | 121.7° |
| C11 | C59 | C49 | H27 | 125.7° | 127.0° |
| C11 | C59 | C69 | C7 | 27.2° | 28.3° |
| C11 | C59 | C69 | C10 | 145.8° | 142.4° |
| C11 | C59 | C49 | O23 | 17.6° | 7.2° |
| C11 | C59 | C49 | C9 | 106.0° | 112.2° |
| C59 | C11 | O2 | C7 | 19.8° | 31.8° |
| C59 | C11 | H6 | H7 | 120.0° | 121.3° |
| C11 | C59 | C49 | H23 | 139.5° | 128.3° |
| C11 | C59 | C69 | H24 | 91.8° | 93.1° |
| O2 | C11 | C59 | C69 | 31.2° | 0.7° |
| O2 | C11 | C59 | C49 | 84.7° | 111.6° |
| C11 | O2 | C7 | C69 | 1.8° | 50.3° |
| C11 | O2 | C7 | O1 | 122.7° | 64.4° |
| C11 | O2 | C7 | H5 | 118.0° | 172.8° |
| O2 | C11 | H6 | H7 | 120.1° | 122.1° |
| O2 | C11 | C59 | H27 | 149.5° | 121.2° |
| C69 | C59 | C49 | H27 | 118.4° | 123.0° |
| C59 | C69 | C7 | C10 | 112.8° | 109.2° |
| C59 | C69 | C7 | H24 | 119.5° | 122.6° |
| C59 | C69 | C10 | H24 | 122.4° | 125.6° |
| C69 | C59 | C49 | O23 | 133.5° | 117.2° |
| C69 | C59 | C49 | C9 | 9.9° | 2.2° |
| C59 | C69 | C7 | O2 | 16.6° | 47.6° |
| C59 | C69 | C7 | O1 | 102.3° | 60.4° |
| C59 | C69 | C10 | C9 | 45.2° | 41.1° |
| C59 | C69 | C7 | H5 | 136.7° | 169.9° |
| C69 | C59 | C11 | H6 | 151.2° | 119.7° |
| C69 | C59 | C11 | H7 | 88.8° | 119.1° |
| C59 | C69 | C10 | H8 | 163.5° | 76.9° |
| C59 | C69 | C10 | H9 | 73.1° | 159.1° |
| C69 | C59 | C49 | H23 | 104.7° | 121.7° |
| C59 | C49 | O23 | C21 | 120.8° | 150.9° |
| C49 | C59 | C69 | C7 | 96.8° | 86.9° |
| C49 | C59 | C69 | C10 | 21.9° | 27.3° |
| C59 | C49 | O23 | C9 | 118.1° | 117.6° |
| C59 | C49 | O23 | H23 | 121.0° | 121.2° |
| C59 | C49 | C9 | H23 | 114.7° | 119.5° |
| C59 | C49 | C9 | C10 | 37.1° | 23.3° |
| C59 | C49 | C9 | C8 | 79.4° | 87.3° |
| C59 | C49 | C9 | H4 | 155.4° | 147.0° |
| C49 | C59 | C11 | H6 | 35.3° | 129.4° |
| C49 | C59 | C11 | H7 | 155.3° | 8.2° |
| C49 | C59 | C69 | H24 | 144.2° | 151.7° |
| O22 | C21 | N20 | O23 | 173.7° | 180.0° |
| O22 | C21 | O23 | C49 | 10.0° | 0.1° |
| O22 | C21 | N20 | H28 | 172.5° | 180.0° |
| N11 | C16 | C17 | H20 | 120.2° | 119.9° |
| N11 | C16 | C17 | H21 | 120.2° | 120.1° |
| N11 | C16 | C17 | O18 | 169.8° | 67.3° |
| C16 | N11 | C12 | C13 | 78.6° | 85.0° |
| N11 | C16 | H20 | H21 | 119.4° | 120.0° |
| N11 | C16 | C17 | H22 | 49.9° | 52.7° |
| C16 | N11 | C12 | H35 | 161.1° | 35.0° |
| C16 | N11 | C12 | H36 | 41.6° | 155.0° |
| C12 | N11 | C16 | C17 | 103.9° | 76.9° |
| N11 | C12 | C13 | H35 | 120.3° | 120.0° |
| N11 | C12 | C13 | H36 | 120.3° | 120.0° |
| N11 | C12 | C13 | C14 | 55.6° | 65.0° |
| N11 | C12 | C13 | C15 | 179.7° | 175.0° |
| N11 | C12 | C13 | H13 | 64.2° | 55.0° |
| C12 | N11 | C16 | H20 | 16.3° | 43.0° |
| C12 | N11 | C16 | H21 | 135.9° | 163.0° |
| N11 | C12 | H35 | H36 | 119.2° | 120.0° |
| C16 | C17 | O18 | H22 | 119.0° | 120.0° |
| C17 | C16 | H20 | H21 | 119.4° | 120.0° |
| C16 | C17 | C19 | H29 | 47.5° | 55.0° |
| C16 | C17 | O18 | H34 | 55.9° | 65.6° |
| N20 | C21 | O23 | C49 | 164.4° | 180.0° |
| C21 | N20 | C19 | H29 | 11.8° | 35.0° |
| C21 | O23 | C49 | C9 | 121.1° | 91.4° |
| C21 | O23 | C49 | H23 | 0.1° | 29.7° |
| O23 | C21 | N20 | H28 | 13.8° | 0.0° |
| C7 | C69 | C10 | H24 | 127.4° | 128.3° |
| C69 | C7 | O2 | O1 | 120.9° | 114.7° |
| C69 | C7 | O2 | H5 | 119.8° | 122.5° |
| C69 | C7 | O1 | H5 | 120.3° | 130.3° |
| C7 | C69 | C10 | C9 | 65.1° | 65.0° |
| C69 | C7 | O1 | C8 | 46.4° | 42.5° |
| C7 | C69 | C10 | H8 | 53.2° | 176.9° |
| C7 | C69 | C10 | H9 | 176.7° | 53.0° |
| C7 | C69 | C59 | H27 | 145.1° | 150.0° |
| C69 | C10 | C9 | C49 | 49.7° | 40.0° |
| C10 | C69 | C7 | O2 | 129.4° | 156.8° |
| C10 | C69 | C7 | O1 | 10.6° | 48.8° |
| C69 | C10 | C9 | H8 | 118.3° | 118.0° |
| C69 | C10 | C9 | H9 | 118.2° | 118.0° |
| C69 | C10 | C9 | C8 | 68.7° | 73.2° |
| C69 | C10 | C9 | H4 | 167.6° | 163.6° |
| C10 | C69 | C7 | H5 | 110.4° | 81.0° |
| C69 | C10 | H8 | H9 | 124.9° | 124.0° |
| C10 | C69 | C59 | H27 | 96.2° | 95.9° |
| O18 | C17 | C16 | H20 | 49.6° | 172.8° |
| O18 | C17 | C16 | H21 | 70.0° | 52.8° |
| O18 | C17 | C19 | H29 | 172.0° | 175.0° |
| O23 | C49 | C9 | H23 | 121.9° | 121.1° |
| O23 | C49 | C9 | C10 | 160.5° | 142.7° |
| O23 | C49 | C9 | C8 | 44.0° | 32.1° |
| O23 | C49 | C9 | H4 | 81.3° | 93.6° |
| O23 | C49 | C59 | H27 | 108.1° | 119.8° |
| C49 | C9 | C10 | C8 | 118.4° | 113.2° |
| C49 | C9 | C10 | H4 | 117.9° | 123.6° |
| C49 | C9 | C8 | H4 | 125.4° | 125.7° |
| C49 | C9 | C8 | O1 | 91.5° | 43.9° |
| C49 | C9 | C10 | H8 | 168.0° | 78.1° |
| C49 | C9 | C10 | H9 | 68.6° | 158.0° |
| C49 | C9 | C8 | H25 | 148.0° | 163.7° |
| C49 | C9 | C8 | H26 | 28.9° | 75.9° |
| C9 | C49 | C59 | H27 | 128.3° | 120.8° |
| O2 | C7 | O1 | H5 | 118.8° | 123.3° |
| O2 | C7 | O1 | C8 | 74.4° | 148.9° |
| C7 | O2 | C11 | H6 | 139.8° | 150.8° |
| C7 | O2 | C11 | H7 | 100.2° | 87.5° |
| O2 | C7 | C69 | H24 | 102.9° | 75.0° |
| C12 | C13 | C14 | C15 | 118.5° | 120.0° |
| C12 | C13 | C14 | H13 | 119.5° | 119.9° |
| C12 | C13 | C15 | H13 | 115.7° | 120.0° |
| C12 | C13 | C14 | H14 | 180.0° | 180.0° |
| C12 | C13 | C14 | H15 | 60.0° | 60.0° |
| C12 | C13 | C14 | H16 | 60.0° | 60.0° |
| C12 | C13 | C15 | H17 | 180.0° | 60.0° |
| C12 | C13 | C15 | H18 | 60.0° | 60.0° |
| C12 | C13 | C15 | H19 | 60.0° | 180.0° |
| C13 | C12 | H35 | H36 | 119.2° | 120.0° |
| C7 | O1 | C8 | C9 | 41.7° | 52.5° |
| O1 | C7 | C69 | H24 | 138.2° | 177.1° |
| C7 | O1 | C8 | H25 | 162.1° | 67.3° |
| C7 | O1 | C8 | H26 | 78.7° | 172.2° |
| C10 | C9 | C8 | H4 | 124.1° | 123.3° |
| C10 | C9 | C8 | O1 | 19.1° | 67.1° |
| C9 | C10 | H8 | H9 | 124.9° | 124.0° |
| C10 | C9 | C49 | H23 | 77.6° | 96.2° |
| C9 | C10 | C69 | H24 | 167.6° | 166.7° |
| C10 | C9 | C8 | H25 | 101.4° | 52.6° |
| C10 | C9 | C8 | H26 | 139.5° | 173.1° |
| C9 | C8 | O1 | H25 | 120.4° | 119.8° |
| C9 | C8 | O1 | H26 | 120.4° | 119.7° |
| C8 | C9 | C10 | H8 | 49.6° | 168.8° |
| C8 | C9 | C10 | H9 | 173.1° | 44.8° |
| C8 | C9 | C49 | H23 | 165.9° | 153.2° |
| C9 | C8 | H25 | H26 | 118.6° | 120.5° |
| C14 | C13 | C15 | H13 | 121.8° | 120.1° |
| C13 | C14 | H14 | H15 | 120.0° | 120.0° |
| C13 | C14 | H14 | H16 | 120.0° | 120.0° |
| C13 | C14 | H15 | H16 | 120.0° | 120.0° |
| C14 | C13 | C15 | H17 | 57.5° | 60.0° |
| C14 | C13 | C15 | H18 | 62.4° | 180.0° |
| C14 | C13 | C15 | H19 | 177.6° | 60.0° |
| C14 | C13 | C12 | H35 | 64.6° | 175.0° |
| C14 | C13 | C12 | H36 | 175.9° | 55.0° |
| C15 | C13 | C14 | H14 | 61.5° | 60.0° |
| C15 | C13 | C14 | H15 | 178.5° | 180.0° |
| C15 | C13 | C14 | H16 | 58.5° | 60.0° |
| C13 | C15 | H17 | H18 | 120.0° | 120.0° |
| C13 | C15 | H17 | H19 | 120.0° | 120.0° |
| C13 | C15 | H18 | H19 | 120.0° | 120.0° |
| C15 | C13 | C12 | H35 | 59.4° | 55.0° |
| C15 | C13 | C12 | H36 | 60.1° | 65.0° |
| O1 | C8 | C9 | H4 | 143.1° | 169.6° |
| C8 | O1 | C7 | H5 | 166.8° | 87.8° |
| O1 | C8 | H25 | H26 | 118.7° | 120.5° |
| H1 | C6 | C39 | H37 | 5.7° | 0.3° |
| H2 | C4 | C3 | H3 | 9.5° | 0.2° |
| H4 | C9 | C10 | H8 | 74.1° | 45.6° |
| H4 | C9 | C10 | H9 | 49.3° | 78.4° |
| H4 | C9 | C49 | H23 | 40.6° | 27.5° |
| H4 | C9 | C8 | H25 | 22.7° | 70.7° |
| H4 | C9 | C8 | H26 | 96.4° | 49.8° |
| H5 | C7 | C69 | H24 | 17.2° | 47.3° |
| H6 | C11 | C59 | H27 | 90.5° | 2.2° |
| H7 | C11 | C59 | H27 | 29.5° | 119.0° |
| H8 | C10 | C69 | H24 | 74.1° | 48.7° |
| H9 | C10 | C69 | H24 | 49.3° | 75.3° |
| H10 | C34 | C35 | H33 | 0.3° | 0.3° |
| H11 | C32 | C19 | H29 | 59.5° | 65.0° |
| H12 | C32 | C19 | H29 | 179.6° | 175.1° |
| H13 | C13 | C14 | H14 | 60.4° | 60.1° |
| H13 | C13 | C14 | H15 | 59.5° | 60.0° |
| H13 | C13 | C14 | H16 | 179.5° | 180.0° |
| H13 | C13 | C15 | H17 | 64.3° | 180.0° |
| H13 | C13 | C15 | H18 | 175.7° | 60.0° |
| H13 | C13 | C15 | H19 | 55.7° | 60.0° |
| H13 | C13 | C12 | H35 | 175.6° | 65.0° |
| H13 | C13 | C12 | H36 | 56.1° | 175.0° |
| H14 | C14 | H15 | H16 | 120.0° | 120.0° |
| H17 | C15 | H18 | H19 | 120.0° | 119.9° |
| H20 | C16 | C17 | H22 | 70.3° | 67.2° |
| H21 | C16 | C17 | H22 | 170.1° | 172.8° |
| H22 | C17 | C19 | H29 | 69.8° | 65.0° |
| H22 | C17 | O18 | H34 | 63.1° | 174.4° |
| H23 | C49 | C59 | H27 | 13.7° | 1.3° |
| H24 | C69 | C59 | H27 | 26.1° | 28.6° |
| H28 | N20 | C19 | H29 | 168.2° | 145.0° |
| H30 | C38 | C37 | H31 | 0.8° | 0.0° |
| H31 | C37 | C36 | H32 | 1.9° | 0.0° |
| H32 | C36 | C35 | H33 | 2.4° | 0.2° |
