X7H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.42Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| O42 | C41 | doub | 1.21Å | 1.19Å | |
| C43 | C41 | sing | 1.51Å | 1.51Å | |
| C41 | N1 | sing | 1.35Å | 1.31Å | |
| C7 | C6 | doub | 1.38Å | 1.44Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.42Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.40Å | 1.43Å | |
| C38 | C32 | sing | 1.51Å | 1.52Å | |
| C6 | C5 | sing | 1.38Å | 1.35Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.34Å | Aromatic |
| O9 | S8 | doub | 1.42Å | 1.46Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.69Å | |
| C3 | C4 | sing | 1.38Å | 1.34Å | Aromatic |
| C32 | C19 | sing | 1.53Å | 1.55Å | |
| S8 | O10 | doub | 1.42Å | 1.46Å | |
| S8 | N11 | sing | 1.66Å | 1.66Å | |
| C30 | C29 | sing | 1.54Å | 1.55Å | |
| C30 | C31 | sing | 1.56Å | 1.53Å | |
| C19 | N20 | sing | 1.46Å | 1.47Å | |
| C19 | C17 | sing | 1.53Å | 1.54Å | |
| C29 | O28 | sing | 1.43Å | 1.43Å | |
| N11 | C16 | sing | 1.47Å | 1.48Å | |
| N11 | C12 | sing | 1.46Å | 1.49Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| N20 | C21 | sing | 1.35Å | 1.31Å | |
| C17 | O18 | sing | 1.43Å | 1.43Å | |
| O22 | C21 | doub | 1.21Å | 1.23Å | |
| C21 | O23 | sing | 1.35Å | 1.44Å | |
| O28 | C27 | sing | 1.43Å | 1.46Å | |
| C31 | C27 | sing | 1.56Å | 1.52Å | |
| C31 | C24 | sing | 1.54Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| O23 | C24 | sing | 1.45Å | 1.44Å | |
| C27 | O26 | sing | 1.44Å | 1.44Å | |
| C24 | C25 | sing | 1.54Å | 1.62Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| O26 | C25 | sing | 1.43Å | 1.44Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| O18 | H18 | sing | 0.97Å | 0.95Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | 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 | 1.08Å | 1.08Å | |
| C37 | H36 | sing | 1.08Å | 1.08Å | |
| C43 | H37 | sing | 1.09Å | 1.10Å | |
| C43 | H38 | sing | 1.09Å | 1.10Å | |
| C43 | CL1 | sing | 1.80Å | 41.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | C34 | 118.2° | 120.0° |
| C35 | C36 | C37 | 121.5° | 120.0° |
| C36 | C35 | H34 | 120.9° | 120.0° |
| C35 | C36 | H35 | 119.3° | 120.0° |
| C35 | C34 | C33 | 121.9° | 120.1° |
| C35 | C34 | H33 | 119.1° | 119.9° |
| C34 | C35 | H34 | 120.9° | 120.0° |
| C36 | C37 | C38 | 118.4° | 120.0° |
| C37 | C36 | H35 | 119.2° | 120.0° |
| C36 | C37 | H36 | 120.8° | 120.0° |
| C34 | C33 | C38 | 119.0° | 120.0° |
| C34 | C33 | H32 | 120.5° | 120.0° |
| C33 | C34 | H33 | 119.0° | 120.0° |
| C37 | C38 | C33 | 120.9° | 120.0° |
| C37 | C38 | C32 | 119.2° | 120.0° |
| C38 | C37 | H36 | 120.8° | 120.0° |
| O42 | C41 | C43 | 122.5° | 120.0° |
| O42 | C41 | N1 | 117.7° | 120.0° |
| C43 | C41 | N1 | 119.7° | 120.0° |
| C41 | C43 | H37 | 124.0° | 109.5° |
| C41 | C43 | H38 | 124.0° | 109.5° |
| C41 | C43 | CL1 | 29.1° | 109.4° |
| C41 | N1 | C2 | 124.8° | 120.0° |
| C41 | N1 | H5 | 117.6° | 120.0° |
| C6 | C7 | C2 | 120.3° | 120.0° |
| C7 | C6 | C5 | 117.9° | 120.0° |
| C7 | C6 | H3 | 121.1° | 120.0° |
| C6 | C7 | H4 | 119.9° | 120.1° |
| C7 | C2 | N1 | 122.9° | 120.1° |
| C7 | C2 | C3 | 120.6° | 119.8° |
| C2 | C7 | H4 | 119.9° | 120.0° |
| C33 | C38 | C32 | 119.8° | 120.0° |
| C38 | C33 | H32 | 120.5° | 120.0° |
| N1 | C2 | C3 | 116.5° | 120.1° |
| C2 | N1 | H5 | 117.6° | 120.0° |
| C38 | C32 | C19 | 112.6° | 109.4° |
| C38 | C32 | H30 | 108.7° | 109.5° |
| C38 | C32 | H31 | 108.7° | 109.5° |
| C6 | C5 | C4 | 117.1° | 120.2° |
| C6 | C5 | S8 | 124.1° | 119.9° |
| C5 | C6 | H3 | 121.0° | 120.0° |
| C2 | C3 | C4 | 115.8° | 120.0° |
| C2 | C3 | H1 | 122.1° | 120.0° |
| O9 | S8 | C5 | 109.5° | 106.4° |
| O9 | S8 | O10 | 117.6° | 123.1° |
| O9 | S8 | N11 | 107.6° | 106.4° |
| C4 | C5 | S8 | 118.6° | 119.9° |
| C5 | C4 | C3 | 128.3° | 120.0° |
| C5 | C4 | H2 | 115.9° | 120.0° |
| C5 | S8 | O10 | 106.2° | 106.4° |
| C5 | S8 | N11 | 109.4° | 107.2° |
| C4 | C3 | H1 | 122.1° | 120.1° |
| C3 | C4 | H2 | 115.8° | 120.0° |
| C32 | C19 | N20 | 106.9° | 109.5° |
| C32 | C19 | C17 | 112.8° | 109.4° |
| C32 | C19 | H19 | 109.6° | 109.5° |
| C19 | C32 | H30 | 108.7° | 109.5° |
| C19 | C32 | H31 | 108.7° | 109.5° |
| O10 | S8 | N11 | 106.3° | 106.5° |
| S8 | N11 | C16 | 117.2° | 120.0° |
| S8 | N11 | C12 | 116.4° | 120.0° |
| C29 | C30 | C31 | 103.6° | 102.8° |
| C30 | C29 | O28 | 104.2° | 107.6° |
| C30 | C29 | H25 | 110.8° | 109.8° |
| C30 | C29 | H26 | 110.8° | 109.9° |
| C29 | C30 | H27 | 110.9° | 110.7° |
| C29 | C30 | H28 | 110.9° | 110.8° |
| C30 | C31 | C27 | 103.8° | 100.5° |
| C30 | C31 | C24 | 117.9° | 109.4° |
| C31 | C30 | H27 | 110.9° | 110.8° |
| C31 | C30 | H28 | 110.9° | 110.7° |
| C30 | C31 | H29 | 108.5° | 113.8° |
| N20 | C19 | C17 | 107.2° | 109.5° |
| C19 | N20 | C21 | 121.3° | 120.0° |
| N20 | C19 | H19 | 110.7° | 109.5° |
| C19 | N20 | H20 | 119.4° | 120.0° |
| C19 | C17 | C16 | 113.7° | 109.5° |
| C19 | C17 | O18 | 112.3° | 109.5° |
| C19 | C17 | H17 | 107.0° | 109.5° |
| C17 | C19 | H19 | 109.7° | 109.5° |
| C29 | O28 | C27 | 111.2° | 110.4° |
| O28 | C29 | H25 | 110.8° | 109.8° |
| O28 | C29 | H26 | 110.8° | 109.8° |
| C16 | N11 | C12 | 120.5° | 120.0° |
| N11 | C16 | C17 | 112.6° | 109.4° |
| N11 | C16 | H15 | 108.7° | 109.5° |
| N11 | C16 | H16 | 108.7° | 109.5° |
| N11 | C12 | C13 | 113.6° | 109.5° |
| N11 | C12 | H6 | 108.4° | 109.5° |
| N11 | C12 | H7 | 108.4° | 109.5° |
| C16 | C17 | O18 | 108.1° | 109.5° |
| C17 | C16 | H15 | 108.7° | 109.4° |
| C17 | C16 | H16 | 108.7° | 109.5° |
| C16 | C17 | H17 | 107.1° | 109.5° |
| N20 | C21 | O22 | 129.2° | 120.0° |
| N20 | C21 | O23 | 106.7° | 120.0° |
| C21 | N20 | H20 | 119.3° | 120.0° |
| O18 | C17 | H17 | 108.4° | 109.5° |
| C17 | O18 | H18 | 109.5° | 114.0° |
| O22 | C21 | O23 | 123.8° | 120.0° |
| C21 | O23 | C24 | 114.5° | 117.0° |
| O28 | C27 | C31 | 106.8° | 105.7° |
| O28 | C27 | O26 | 107.3° | 108.8° |
| O28 | C27 | H24 | 112.2° | 112.5° |
| C27 | C31 | C24 | 108.7° | 102.7° |
| C31 | C27 | O26 | 106.4° | 104.0° |
| C31 | C27 | H24 | 111.3° | 112.7° |
| C27 | C31 | H29 | 108.6° | 114.5° |
| C31 | C24 | O23 | 109.2° | 110.4° |
| C31 | C24 | C25 | 99.2° | 104.7° |
| C31 | C24 | H21 | 114.7° | 110.5° |
| C24 | C31 | H29 | 108.9° | 114.5° |
| C12 | C13 | C14 | 113.9° | 109.5° |
| C12 | C13 | C15 | 105.1° | 109.5° |
| C13 | C12 | H6 | 108.4° | 109.5° |
| C13 | C12 | H7 | 108.4° | 109.5° |
| C12 | C13 | H8 | 108.5° | 109.5° |
| O23 | C24 | C25 | 103.4° | 110.4° |
| O23 | C24 | H21 | 115.8° | 110.3° |
| C27 | O26 | C25 | 108.8° | 107.9° |
| O26 | C27 | H24 | 112.6° | 112.5° |
| C24 | C25 | O26 | 103.7° | 107.4° |
| C25 | C24 | H21 | 112.8° | 110.4° |
| C24 | C25 | H22 | 110.9° | 109.9° |
| C24 | C25 | H23 | 110.9° | 109.9° |
| C14 | C13 | C15 | 112.3° | 109.5° |
| C14 | C13 | H8 | 108.4° | 109.5° |
| C13 | C14 | H9 | 109.5° | 109.5° |
| C13 | C14 | H10 | 109.4° | 109.5° |
| C13 | C14 | H11 | 109.5° | 109.5° |
| C15 | C13 | H8 | 108.4° | 109.5° |
| C13 | C15 | H12 | 109.5° | 109.5° |
| C13 | C15 | H13 | 109.4° | 109.4° |
| C13 | C15 | H14 | 109.5° | 109.5° |
| O26 | C25 | H22 | 110.9° | 109.8° |
| O26 | C25 | H23 | 110.9° | 110.0° |
| H6 | C12 | H7 | 109.5° | 109.4° |
| H9 | C14 | H10 | 109.5° | 109.4° |
| H9 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.4° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H12 | C15 | H14 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.4° | 109.9° |
| H25 | C29 | H26 | 109.5° | 109.8° |
| H27 | C30 | H28 | 109.4° | 110.8° |
| H30 | C32 | H31 | 109.5° | 109.5° |
| H37 | C43 | H38 | 109.5° | 109.5° |
| H37 | C43 | CL1 | 124.0° | 109.5° |
| H38 | C43 | CL1 | 124.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | C34 | H34 | 180.0° | 180.0° |
| C35 | C36 | C37 | H35 | 180.0° | 179.9° |
| C36 | C35 | C34 | C33 | 3.7° | 0.0° |
| C35 | C36 | C37 | C38 | 1.6° | 0.0° |
| C36 | C35 | C34 | H33 | 176.3° | 180.0° |
| C35 | C36 | C37 | H36 | 178.4° | 180.0° |
| C34 | C35 | C36 | C37 | 2.9° | 0.0° |
| C35 | C34 | C33 | H33 | 180.0° | 180.0° |
| C35 | C34 | C33 | C38 | 3.1° | 0.0° |
| C35 | C34 | C33 | H32 | 176.9° | 179.7° |
| C34 | C35 | C36 | H35 | 177.1° | 179.9° |
| C36 | C37 | C38 | H36 | 180.0° | 180.0° |
| C36 | C37 | C38 | C33 | 1.0° | 0.0° |
| C36 | C37 | C38 | C32 | 178.2° | 179.7° |
| C37 | C36 | C35 | H34 | 177.1° | 180.0° |
| C34 | C33 | C38 | C37 | 1.7° | 0.0° |
| C34 | C33 | C38 | H32 | 180.0° | 179.7° |
| C34 | C33 | C38 | C32 | 178.9° | 179.7° |
| C33 | C34 | C35 | H34 | 176.3° | 180.0° |
| C37 | C38 | C33 | C32 | 177.2° | 179.7° |
| C37 | C38 | C32 | C19 | 65.5° | 90.3° |
| C37 | C38 | C32 | H30 | 55.0° | 149.8° |
| C37 | C38 | C32 | H31 | 174.0° | 29.7° |
| C37 | C38 | C33 | H32 | 178.3° | 179.7° |
| C38 | C37 | C36 | H35 | 178.4° | 179.9° |
| O42 | C41 | C43 | N1 | 175.2° | 180.0° |
| O42 | C41 | N1 | C2 | 8.3° | 4.8° |
| O42 | C41 | N1 | H5 | 171.7° | 175.3° |
| O42 | C41 | C43 | H37 | 5.8° | 120.0° |
| O42 | C41 | C43 | H38 | 154.1° | 120.0° |
| O42 | C41 | C43 | CL1 | 105.8° | 0.0° |
| C43 | C41 | N1 | C2 | 176.3° | 175.2° |
| C43 | C41 | N1 | H5 | 3.7° | 4.7° |
| C41 | C43 | H37 | H38 | 162.4° | 120.1° |
| C41 | C43 | H37 | CL1 | 35.3° | 120.0° |
| C41 | C43 | H38 | CL1 | 35.3° | 120.0° |
| C41 | N1 | C2 | C7 | 17.6° | 144.8° |
| C41 | N1 | C2 | H5 | 180.0° | 179.9° |
| C41 | N1 | C2 | C3 | 160.3° | 35.5° |
| N1 | C41 | C43 | H37 | 169.4° | 60.0° |
| N1 | C41 | C43 | H38 | 30.7° | 60.0° |
| N1 | C41 | C43 | CL1 | 69.4° | 180.0° |
| C6 | C7 | C2 | H4 | 180.0° | 179.9° |
| C6 | C7 | C2 | N1 | 176.6° | 179.8° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C6 | C7 | C2 | C3 | 1.2° | 0.0° |
| C7 | C6 | C5 | C4 | 2.6° | 0.1° |
| C7 | C6 | C5 | S8 | 176.8° | 180.0° |
| C7 | C2 | N1 | C3 | 177.9° | 179.8° |
| C2 | C7 | C6 | C5 | 2.6° | 0.1° |
| C7 | C2 | C3 | C4 | 0.2° | 0.0° |
| C7 | C2 | C3 | H1 | 179.8° | 180.0° |
| C2 | C7 | C6 | H3 | 177.3° | 180.0° |
| C7 | C2 | N1 | H5 | 162.4° | 35.3° |
| C33 | C38 | C32 | C19 | 111.7° | 90.0° |
| C33 | C38 | C32 | H30 | 127.8° | 30.0° |
| C33 | C38 | C32 | H31 | 8.7° | 150.0° |
| C38 | C33 | C34 | H33 | 176.9° | 180.0° |
| C33 | C38 | C37 | H36 | 179.0° | 180.0° |
| N1 | C2 | C3 | C4 | 178.1° | 179.7° |
| N1 | C2 | C3 | H1 | 1.9° | 0.3° |
| N1 | C2 | C7 | H4 | 3.4° | 0.3° |
| C38 | C32 | C19 | H30 | 120.5° | 120.0° |
| C38 | C32 | C19 | H31 | 120.5° | 120.0° |
| C38 | C32 | C19 | N20 | 60.9° | 65.0° |
| C38 | C32 | C19 | C17 | 178.5° | 175.0° |
| C38 | C32 | C19 | H19 | 59.1° | 55.0° |
| C38 | C32 | H30 | H31 | 118.6° | 120.1° |
| C32 | C38 | C33 | H32 | 1.1° | 0.0° |
| C32 | C38 | C37 | H36 | 1.8° | 0.3° |
| C6 | C5 | S8 | O9 | 37.6° | 156.4° |
| C6 | C5 | C4 | S8 | 174.5° | 180.0° |
| C6 | C5 | C4 | C3 | 1.4° | 0.0° |
| C6 | C5 | S8 | O10 | 165.6° | 23.6° |
| C6 | C5 | S8 | N11 | 80.1° | 90.0° |
| C6 | C5 | C4 | H2 | 178.6° | 180.0° |
| C5 | C6 | C7 | H4 | 177.4° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | H2 | 179.9° | 180.0° |
| C3 | C2 | C7 | H4 | 178.8° | 179.9° |
| C3 | C2 | N1 | H5 | 19.7° | 144.5° |
| O9 | S8 | C5 | C4 | 148.3° | 23.5° |
| O9 | S8 | C5 | O10 | 128.0° | 132.9° |
| O9 | S8 | C5 | N11 | 117.7° | 113.5° |
| O9 | S8 | O10 | N11 | 120.5° | 123.0° |
| O9 | S8 | N11 | C16 | 22.9° | 156.5° |
| O9 | S8 | N11 | C12 | 176.1° | 23.5° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C4 | C5 | S8 | O10 | 20.3° | 156.4° |
| C4 | C5 | S8 | N11 | 94.0° | 90.0° |
| C5 | C4 | C3 | H1 | 179.9° | 180.0° |
| C4 | C5 | C6 | H3 | 177.4° | 180.0° |
| S8 | C5 | C4 | C3 | 175.9° | 180.0° |
| C5 | S8 | O10 | N11 | 116.4° | 114.1° |
| C5 | S8 | N11 | C16 | 96.0° | 90.0° |
| C5 | S8 | N11 | C12 | 57.2° | 90.0° |
| S8 | C5 | C4 | H2 | 4.1° | 0.0° |
| S8 | C5 | C6 | H3 | 3.2° | 0.0° |
| C32 | C19 | N20 | C17 | 121.2° | 120.0° |
| C32 | C19 | N20 | H19 | 119.3° | 120.0° |
| C32 | C19 | C17 | H19 | 122.4° | 120.0° |
| C32 | C19 | C17 | C16 | 73.0° | 65.0° |
| C32 | C19 | N20 | C21 | 125.3° | 85.0° |
| C32 | C19 | C17 | O18 | 50.1° | 55.0° |
| C32 | C19 | C17 | H17 | 168.9° | 175.0° |
| C32 | C19 | N20 | H20 | 54.7° | 94.9° |
| C19 | C32 | H30 | H31 | 118.6° | 120.0° |
| O10 | S8 | N11 | C16 | 149.7° | 23.5° |
| O10 | S8 | N11 | C12 | 57.1° | 156.5° |
| S8 | N11 | C16 | C12 | 152.0° | 180.0° |
| S8 | N11 | C16 | C17 | 109.8° | 94.2° |
| S8 | N11 | C12 | C13 | 135.7° | 93.5° |
| S8 | N11 | C12 | H6 | 15.1° | 146.5° |
| S8 | N11 | C12 | H7 | 103.7° | 26.6° |
| S8 | N11 | C16 | H15 | 129.7° | 145.9° |
| S8 | N11 | C16 | H16 | 10.7° | 25.8° |
| C29 | C30 | C31 | H27 | 119.1° | 118.3° |
| C29 | C30 | C31 | H28 | 119.1° | 118.3° |
| C30 | C29 | O28 | H25 | 119.1° | 119.5° |
| C30 | C29 | O28 | H26 | 119.1° | 119.6° |
| C30 | C29 | O28 | C27 | 21.4° | 0.9° |
| C29 | C30 | C31 | C27 | 29.8° | 33.0° |
| C29 | C30 | C31 | C24 | 90.5° | 140.6° |
| C30 | C29 | H25 | H26 | 122.4° | 121.0° |
| C29 | C30 | H27 | H28 | 122.7° | 123.3° |
| C29 | C30 | C31 | H29 | 145.2° | 89.9° |
| C31 | C30 | C29 | O28 | 31.5° | 21.3° |
| C30 | C31 | C27 | O28 | 17.7° | 34.8° |
| C30 | C31 | C27 | C24 | 126.4° | 112.8° |
| C30 | C31 | C27 | H29 | 115.3° | 122.4° |
| C30 | C31 | C24 | H29 | 124.1° | 129.1° |
| C30 | C31 | C24 | O23 | 34.2° | 30.4° |
| C30 | C31 | C27 | O26 | 132.1° | 79.8° |
| C30 | C31 | C24 | C25 | 141.9° | 88.4° |
| C30 | C31 | C24 | H21 | 97.7° | 152.7° |
| C30 | C31 | C27 | H24 | 105.0° | 158.1° |
| C31 | C30 | C29 | H25 | 87.6° | 98.2° |
| C31 | C30 | C29 | H26 | 150.7° | 140.8° |
| C31 | C30 | H27 | H28 | 122.7° | 123.3° |
| N20 | C19 | C17 | H19 | 120.2° | 120.0° |
| N20 | C19 | C17 | C16 | 169.6° | 175.0° |
| C19 | N20 | C21 | H20 | 180.0° | 180.0° |
| N20 | C19 | C17 | O18 | 67.3° | 65.0° |
| C19 | N20 | C21 | O22 | 7.5° | 0.0° |
| C19 | N20 | C21 | O23 | 179.2° | 180.0° |
| N20 | C19 | C17 | H17 | 51.6° | 55.0° |
| N20 | C19 | C32 | H30 | 178.6° | 55.0° |
| N20 | C19 | C32 | H31 | 59.6° | 175.0° |
| C19 | C17 | C16 | N11 | 69.8° | 175.0° |
| C19 | C17 | C16 | O18 | 125.4° | 120.0° |
| C19 | C17 | C16 | H17 | 118.0° | 120.0° |
| C17 | C19 | N20 | C21 | 113.5° | 155.0° |
| C19 | C17 | O18 | H17 | 118.0° | 120.0° |
| C19 | C17 | C16 | H15 | 169.8° | 65.0° |
| C19 | C17 | C16 | H16 | 50.7° | 55.0° |
| C19 | C17 | O18 | H18 | 180.0° | 60.0° |
| C17 | C19 | N20 | H20 | 66.5° | 25.0° |
| C17 | C19 | C32 | H30 | 61.1° | 65.0° |
| C17 | C19 | C32 | H31 | 58.0° | 55.0° |
| C29 | O28 | C27 | C31 | 2.5° | 23.1° |
| C29 | O28 | C27 | O26 | 111.3° | 88.1° |
| C29 | O28 | C27 | H24 | 124.6° | 146.5° |
| O28 | C29 | H25 | H26 | 122.5° | 120.8° |
| O28 | C29 | C30 | H27 | 87.5° | 139.6° |
| O28 | C29 | C30 | H28 | 150.6° | 97.0° |
| N11 | C16 | C17 | H15 | 120.5° | 120.0° |
| N11 | C16 | C17 | H16 | 120.5° | 120.0° |
| N11 | C16 | C17 | O18 | 164.8° | 65.0° |
| C16 | N11 | C12 | C13 | 72.0° | 86.5° |
| C16 | N11 | C12 | H6 | 167.3° | 33.5° |
| C16 | N11 | C12 | H7 | 48.6° | 153.5° |
| N11 | C16 | H15 | H16 | 118.6° | 120.1° |
| N11 | C16 | C17 | H17 | 48.2° | 55.0° |
| C12 | N11 | C16 | C17 | 98.2° | 85.8° |
| N11 | C12 | C13 | H6 | 120.6° | 120.0° |
| N11 | C12 | C13 | H7 | 120.6° | 120.0° |
| N11 | C12 | C13 | C14 | 62.1° | 64.7° |
| N11 | C12 | C13 | C15 | 174.6° | 175.3° |
| N11 | C12 | H6 | H7 | 118.1° | 120.0° |
| N11 | C12 | C13 | H8 | 58.8° | 55.4° |
| C12 | N11 | C16 | H15 | 22.3° | 34.1° |
| C12 | N11 | C16 | H16 | 141.3° | 154.2° |
| C16 | C17 | O18 | H17 | 115.8° | 120.0° |
| C17 | C16 | H15 | H16 | 118.6° | 120.0° |
| C16 | C17 | O18 | H18 | 53.8° | 60.0° |
| C16 | C17 | C19 | H19 | 49.4° | 55.0° |
| N20 | C21 | O22 | O23 | 172.3° | 180.0° |
| N20 | C21 | O23 | C24 | 169.8° | 180.0° |
| C21 | N20 | C19 | H19 | 6.1° | 35.0° |
| O18 | C17 | C16 | H15 | 44.4° | 55.0° |
| O18 | C17 | C16 | H16 | 74.7° | 175.0° |
| O18 | C17 | C19 | H19 | 172.5° | 175.0° |
| O22 | C21 | O23 | C24 | 16.5° | 0.0° |
| O22 | C21 | N20 | H20 | 172.5° | 180.0° |
| C21 | O23 | C24 | C31 | 111.2° | 153.3° |
| C21 | O23 | C24 | C25 | 143.9° | 91.4° |
| O23 | C21 | N20 | H20 | 0.8° | 0.0° |
| C21 | O23 | C24 | H21 | 20.0° | 30.8° |
| O28 | C27 | C31 | O26 | 114.4° | 114.5° |
| O28 | C27 | C31 | H24 | 122.7° | 123.3° |
| O28 | C27 | C31 | C24 | 108.7° | 147.5° |
| O28 | C27 | O26 | H24 | 123.9° | 125.4° |
| O28 | C27 | O26 | C25 | 132.8° | 149.2° |
| C27 | O28 | C29 | H25 | 97.8° | 120.4° |
| C27 | O28 | C29 | H26 | 140.5° | 118.7° |
| O28 | C27 | C31 | H29 | 133.0° | 87.7° |
| C27 | C31 | C24 | H29 | 118.2° | 124.8° |
| C27 | C31 | C24 | O23 | 83.6° | 136.5° |
| C31 | C27 | O26 | H24 | 122.1° | 122.3° |
| C27 | C31 | C24 | C25 | 24.1° | 17.7° |
| C31 | C27 | O26 | C25 | 18.8° | 36.9° |
| C27 | C31 | C24 | H21 | 144.6° | 101.2° |
| C27 | C31 | C30 | H27 | 89.3° | 151.3° |
| C27 | C31 | C30 | H28 | 148.9° | 85.3° |
| C31 | C24 | O23 | C25 | 104.9° | 115.3° |
| C31 | C24 | O23 | H21 | 131.3° | 122.4° |
| C24 | C31 | C27 | O26 | 5.7° | 33.0° |
| C31 | C24 | C25 | H21 | 121.9° | 119.0° |
| C31 | C24 | C25 | O26 | 34.9° | 3.4° |
| C31 | C24 | C25 | H22 | 84.2° | 116.0° |
| C31 | C24 | C25 | H23 | 154.0° | 123.0° |
| C24 | C31 | C27 | H24 | 128.6° | 89.2° |
| C24 | C31 | C30 | H27 | 150.4° | 101.1° |
| C24 | C31 | C30 | H28 | 28.6° | 22.3° |
| C12 | C13 | C14 | C15 | 119.4° | 120.0° |
| C12 | C13 | C14 | H8 | 120.9° | 120.0° |
| C12 | C13 | C15 | H8 | 115.9° | 120.0° |
| C13 | C12 | H6 | H7 | 118.1° | 120.0° |
| C12 | C13 | C14 | H9 | 180.0° | 54.6° |
| C12 | C13 | C14 | H10 | 60.0° | 174.6° |
| C12 | C13 | C14 | H11 | 60.0° | 65.5° |
| C12 | C13 | C15 | H12 | 180.0° | 60.0° |
| C12 | C13 | C15 | H13 | 60.0° | 180.0° |
| C12 | C13 | C15 | H14 | 60.0° | 60.0° |
| O23 | C24 | C25 | H21 | 125.8° | 122.2° |
| O23 | C24 | C25 | O26 | 77.5° | 115.4° |
| O23 | C24 | C25 | H22 | 163.4° | 125.2° |
| O23 | C24 | C25 | H23 | 41.6° | 4.2° |
| O23 | C24 | C31 | H29 | 158.2° | 98.7° |
| C27 | O26 | C25 | C24 | 34.0° | 25.6° |
| C27 | O26 | C25 | H22 | 85.1° | 93.8° |
| C27 | O26 | C25 | H23 | 153.1° | 145.2° |
| O26 | C27 | C31 | H29 | 112.6° | 157.8° |
| C24 | C25 | O26 | H22 | 119.1° | 119.4° |
| C24 | C25 | O26 | H23 | 119.1° | 119.6° |
| C24 | C25 | H22 | H23 | 122.6° | 121.0° |
| C25 | C24 | C31 | H29 | 94.1° | 142.5° |
| C14 | C13 | C15 | H8 | 119.7° | 120.0° |
| C14 | C13 | C12 | H6 | 58.5° | 55.3° |
| C14 | C13 | C12 | H7 | 177.3° | 175.3° |
| C13 | C14 | H9 | H10 | 120.0° | 120.0° |
| C13 | C14 | H9 | H11 | 120.0° | 120.1° |
| C13 | C14 | H10 | H11 | 120.0° | 120.0° |
| C14 | C13 | C15 | H12 | 55.6° | 180.0° |
| C14 | C13 | C15 | H13 | 64.4° | 60.1° |
| C14 | C13 | C15 | H14 | 175.6° | 60.0° |
| C15 | C13 | C12 | H6 | 64.8° | 64.7° |
| C15 | C13 | C12 | H7 | 54.0° | 55.3° |
| C15 | C13 | C14 | H9 | 60.7° | 65.3° |
| C15 | C13 | C14 | H10 | 179.3° | 54.6° |
| C15 | C13 | C14 | H11 | 59.4° | 174.6° |
| C13 | C15 | H12 | H13 | 120.0° | 119.9° |
| C13 | C15 | H12 | H14 | 120.0° | 120.0° |
| C13 | C15 | H13 | H14 | 120.0° | 120.0° |
| O26 | C25 | C24 | H21 | 156.7° | 122.4° |
| O26 | C25 | H22 | H23 | 122.7° | 121.1° |
| C25 | O26 | C27 | H24 | 103.4° | 85.4° |
| H1 | C3 | C4 | H2 | 0.1° | 0.0° |
| H3 | C6 | C7 | H4 | 2.6° | 0.1° |
| H6 | C12 | C13 | H8 | 179.4° | 175.4° |
| H7 | C12 | C13 | H8 | 61.8° | 64.6° |
| H8 | C13 | C14 | H9 | 59.0° | 174.7° |
| H8 | C13 | C14 | H10 | 61.0° | 65.4° |
| H8 | C13 | C14 | H11 | 179.1° | 54.6° |
| H8 | C13 | C15 | H12 | 64.1° | 60.0° |
| H8 | C13 | C15 | H13 | 175.9° | 60.0° |
| H8 | C13 | C15 | H14 | 55.9° | 180.0° |
| H9 | C14 | H10 | H11 | 120.0° | 120.0° |
| H12 | C15 | H13 | H14 | 120.0° | 120.1° |
| H15 | C16 | C17 | H17 | 72.2° | 175.0° |
| H16 | C16 | C17 | H17 | 168.7° | 65.0° |
| H17 | C17 | O18 | H18 | 62.0° | 180.0° |
| H17 | C17 | C19 | H19 | 68.6° | 65.0° |
| H19 | C19 | N20 | H20 | 174.0° | 145.0° |
| H19 | C19 | C32 | H30 | 61.4° | 175.0° |
| H19 | C19 | C32 | H31 | 179.5° | 65.0° |
| H21 | C24 | C25 | H22 | 37.6° | 3.0° |
| H21 | C24 | C25 | H23 | 84.2° | 118.0° |
| H21 | C24 | C31 | H29 | 26.4° | 23.6° |
| H24 | C27 | C31 | H29 | 10.3° | 35.6° |
| H25 | C29 | C30 | H27 | 153.4° | 20.1° |
| H25 | C29 | C30 | H28 | 31.5° | 143.5° |
| H26 | C29 | C30 | H27 | 31.7° | 100.8° |
| H26 | C29 | C30 | H28 | 90.2° | 22.6° |
| H27 | C30 | C31 | H29 | 26.1° | 28.4° |
| H28 | C30 | C31 | H29 | 95.7° | 151.8° |
| H32 | C33 | C34 | H33 | 3.1° | 0.3° |
| H33 | C34 | C35 | H34 | 3.6° | 0.0° |
| H34 | C35 | C36 | H35 | 2.9° | 0.1° |
| H35 | C36 | C37 | H36 | 1.6° | 0.1° |
| H37 | C43 | H38 | CL1 | 162.3° | 120.0° |
