T1R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.41Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.37Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.36Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| O39 | C2 | sing | 1.36Å | 1.36Å | |
| O39 | C40 | sing | 1.43Å | 1.42Å | |
| C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.36Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.41Å | Aromatic |
| C38 | C32 | sing | 1.51Å | 1.50Å | |
| O9 | S8 | doub | 1.42Å | 1.43Å | |
| C7 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.74Å | |
| C32 | C19 | sing | 1.53Å | 1.55Å | |
| S8 | O10 | doub | 1.42Å | 1.46Å | |
| S8 | N11 | sing | 1.66Å | 1.65Å | |
| C19 | N20 | sing | 1.47Å | 1.47Å | |
| C19 | C17 | sing | 1.53Å | 1.51Å | |
| C29 | C30 | sing | 1.58Å | 1.53Å | |
| C29 | O28 | sing | 1.44Å | 1.41Å | |
| N11 | C16 | sing | 1.47Å | 1.51Å | |
| N11 | C12 | sing | 1.46Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| N20 | C21 | sing | 1.35Å | 1.29Å | |
| C30 | C31 | sing | 1.53Å | 1.56Å | |
| C30 | C27 | sing | 1.55Å | 1.52Å | |
| C17 | O18 | sing | 1.43Å | 1.41Å | |
| C31 | C24 | sing | 1.52Å | 1.51Å | |
| O22 | C21 | doub | 1.22Å | 1.16Å | |
| C21 | O23 | sing | 1.35Å | 1.41Å | |
| O28 | C42 | sing | 1.43Å | 1.42Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| O23 | C24 | sing | 1.45Å | 1.44Å | |
| C27 | C42 | sing | 1.56Å | 1.50Å | |
| C27 | C26 | sing | 1.54Å | 1.52Å | |
| C24 | C25 | sing | 1.54Å | 1.55Å | |
| C42 | O41 | sing | 1.45Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.49Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| O41 | C25 | sing | 1.44Å | 1.44Å | |
| C26 | C25 | sing | 1.55Å | 1.55Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.08Å | 1.08Å | |
| C40 | H19 | sing | 1.09Å | 1.10Å | |
| C40 | H20 | sing | 1.09Å | 1.10Å | |
| C40 | H21 | sing | 1.09Å | 1.10Å | |
| O18 | H22 | sing | 0.97Å | 0.95Å | |
| N20 | H23 | sing | 0.97Å | 1.00Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.08Å | 1.08Å | |
| C34 | H27 | sing | 1.08Å | 1.08Å | |
| C35 | H28 | sing | 1.08Å | 1.08Å | |
| C36 | H29 | sing | 1.08Å | 1.08Å | |
| C37 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C42 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C36 | C37 | 117.4° | 120.0° |
| C36 | C35 | C34 | 122.3° | 120.0° |
| C36 | C35 | H28 | 118.8° | 119.9° |
| C35 | C36 | H29 | 121.3° | 120.0° |
| C36 | C37 | C38 | 121.9° | 120.0° |
| C37 | C36 | H29 | 121.3° | 120.0° |
| C36 | C37 | H30 | 119.1° | 120.0° |
| C35 | C34 | C33 | 118.2° | 120.0° |
| C35 | C34 | H27 | 120.9° | 120.0° |
| C34 | C35 | H28 | 118.9° | 120.0° |
| C37 | C38 | C33 | 117.9° | 120.0° |
| C37 | C38 | C32 | 120.7° | 120.0° |
| C38 | C37 | H30 | 119.0° | 120.0° |
| C34 | C33 | C38 | 122.2° | 120.0° |
| C34 | C33 | H26 | 118.9° | 120.0° |
| C33 | C34 | H27 | 120.9° | 120.0° |
| C2 | C3 | C4 | 122.2° | 120.0° |
| C3 | C2 | O39 | 118.7° | 120.1° |
| C3 | C2 | C7 | 116.6° | 119.9° |
| C2 | C3 | H18 | 118.9° | 120.0° |
| C3 | C4 | C5 | 122.2° | 120.0° |
| C3 | C4 | H1 | 118.9° | 120.0° |
| C4 | C3 | H18 | 118.9° | 120.0° |
| C2 | O39 | C40 | 115.8° | 117.0° |
| O39 | C2 | C7 | 124.5° | 120.0° |
| O39 | C40 | H19 | 109.5° | 109.5° |
| O39 | C40 | H20 | 109.5° | 109.5° |
| O39 | C40 | H21 | 109.5° | 109.4° |
| C2 | C7 | C6 | 119.9° | 119.9° |
| C2 | C7 | H3 | 120.1° | 120.1° |
| C4 | C5 | C6 | 117.5° | 120.1° |
| C4 | C5 | S8 | 124.0° | 119.9° |
| C5 | C4 | H1 | 118.9° | 120.0° |
| C33 | C38 | C32 | 121.4° | 120.0° |
| C38 | C33 | H26 | 118.9° | 120.0° |
| C38 | C32 | C19 | 112.1° | 109.5° |
| C38 | C32 | H24 | 108.8° | 109.5° |
| C38 | C32 | H25 | 108.8° | 109.5° |
| O9 | S8 | C5 | 105.9° | 106.4° |
| O9 | S8 | O10 | 119.5° | 123.2° |
| O9 | S8 | N11 | 106.7° | 106.4° |
| C7 | C6 | C5 | 120.7° | 120.0° |
| C7 | C6 | H2 | 119.6° | 120.0° |
| C6 | C7 | H3 | 120.0° | 120.0° |
| C6 | C5 | S8 | 118.5° | 119.9° |
| C5 | C6 | H2 | 119.6° | 120.0° |
| C5 | S8 | O10 | 110.4° | 106.4° |
| C5 | S8 | N11 | 109.0° | 107.3° |
| C32 | C19 | N20 | 104.6° | 109.4° |
| C32 | C19 | C17 | 116.6° | 109.5° |
| C32 | C19 | H10 | 108.7° | 109.5° |
| C19 | C32 | H24 | 108.8° | 109.5° |
| C19 | C32 | H25 | 108.8° | 109.5° |
| O10 | S8 | N11 | 105.0° | 106.4° |
| S8 | N11 | C16 | 117.0° | 120.0° |
| S8 | N11 | C12 | 115.6° | 120.0° |
| N20 | C19 | C17 | 107.9° | 109.5° |
| C19 | N20 | C21 | 123.8° | 120.0° |
| N20 | C19 | H10 | 109.7° | 109.5° |
| C19 | N20 | H23 | 118.1° | 120.0° |
| C19 | C17 | C16 | 113.9° | 109.5° |
| C19 | C17 | O18 | 113.3° | 109.4° |
| C19 | C17 | H8 | 107.6° | 109.5° |
| C17 | C19 | H10 | 109.2° | 109.4° |
| C30 | C29 | O28 | 113.5° | 102.1° |
| C29 | C30 | C31 | 113.2° | 101.8° |
| C29 | C30 | C27 | 99.6° | 97.1° |
| C30 | C29 | H35 | 108.4° | 110.8° |
| C30 | C29 | H36 | 108.4° | 110.8° |
| C29 | C30 | H37 | 110.1° | 115.0° |
| C29 | O28 | C42 | 104.9° | 109.4° |
| O28 | C29 | H35 | 108.4° | 110.9° |
| O28 | C29 | H36 | 108.4° | 110.9° |
| C16 | N11 | C12 | 113.6° | 120.0° |
| N11 | C16 | C17 | 107.4° | 109.4° |
| N11 | C16 | H16 | 110.0° | 109.4° |
| N11 | C16 | H17 | 110.0° | 109.5° |
| N11 | C12 | C13 | 111.0° | 109.5° |
| N11 | C12 | H11 | 109.1° | 109.4° |
| N11 | C12 | H12 | 109.1° | 109.5° |
| C16 | C17 | O18 | 105.9° | 109.5° |
| C16 | C17 | H8 | 107.1° | 109.5° |
| C17 | C16 | H16 | 110.0° | 109.4° |
| C17 | C16 | H17 | 110.0° | 109.5° |
| N20 | C21 | O22 | 126.2° | 120.0° |
| N20 | C21 | O23 | 112.2° | 120.0° |
| C21 | N20 | H23 | 118.1° | 120.0° |
| C31 | C30 | C27 | 113.6° | 112.1° |
| C30 | C31 | C24 | 115.1° | 114.7° |
| C31 | C30 | H37 | 109.7° | 114.1° |
| C30 | C31 | H38 | 108.0° | 108.5° |
| C30 | C31 | H39 | 108.0° | 108.4° |
| C30 | C27 | C42 | 105.8° | 99.8° |
| C30 | C27 | C26 | 111.2° | 111.6° |
| C30 | C27 | H34 | 112.8° | 114.1° |
| C27 | C30 | H37 | 110.3° | 114.8° |
| O18 | C17 | H8 | 108.9° | 109.4° |
| C17 | O18 | H22 | 109.5° | 114.0° |
| C31 | C24 | O23 | 109.9° | 109.7° |
| C31 | C24 | C25 | 111.9° | 108.7° |
| C31 | C24 | H9 | 109.0° | 109.6° |
| C24 | C31 | H38 | 108.1° | 108.4° |
| C24 | C31 | H39 | 108.1° | 108.4° |
| O22 | C21 | O23 | 121.1° | 120.0° |
| C21 | O23 | C24 | 113.0° | 117.0° |
| O28 | C42 | C27 | 108.0° | 105.9° |
| O28 | C42 | O41 | 105.2° | 111.5° |
| O28 | C42 | H40 | 113.7° | 110.9° |
| C12 | C13 | C14 | 116.6° | 109.5° |
| C12 | C13 | C15 | 102.5° | 109.5° |
| C12 | C13 | H4 | 108.0° | 109.5° |
| C13 | C12 | H11 | 109.1° | 109.5° |
| C13 | C12 | H12 | 109.1° | 109.5° |
| O23 | C24 | C25 | 107.6° | 109.6° |
| O23 | C24 | H9 | 110.0° | 109.6° |
| C42 | C27 | C26 | 100.5° | 102.9° |
| C27 | C42 | O41 | 103.5° | 105.6° |
| C42 | C27 | H34 | 113.0° | 113.9° |
| C27 | C42 | H40 | 112.4° | 111.0° |
| C27 | C26 | C25 | 100.8° | 99.8° |
| C27 | C26 | H32 | 111.6° | 111.3° |
| C27 | C26 | H33 | 111.6° | 111.3° |
| C26 | C27 | H34 | 112.7° | 113.3° |
| C24 | C25 | O41 | 113.8° | 108.8° |
| C24 | C25 | C26 | 107.9° | 103.6° |
| C25 | C24 | H9 | 108.4° | 109.6° |
| C24 | C25 | H31 | 111.0° | 112.5° |
| C42 | O41 | C25 | 112.7° | 109.9° |
| O41 | C42 | H40 | 113.2° | 111.6° |
| C14 | C13 | C15 | 113.2° | 109.4° |
| C14 | C13 | H4 | 108.3° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H15 | 109.5° | 109.5° |
| C15 | C13 | H4 | 107.8° | 109.5° |
| C13 | C15 | H5 | 109.5° | 109.4° |
| C13 | C15 | H6 | 109.5° | 109.5° |
| C13 | C15 | H7 | 109.5° | 109.5° |
| O41 | C25 | C26 | 99.7° | 106.2° |
| O41 | C25 | H31 | 112.8° | 112.5° |
| C26 | C25 | H31 | 111.0° | 112.7° |
| C25 | C26 | H32 | 111.6° | 111.3° |
| C25 | C26 | H33 | 111.6° | 111.4° |
| H5 | C15 | H6 | 109.4° | 109.5° |
| H5 | C15 | H7 | 109.4° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.4° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H13 | C14 | H15 | 109.5° | 109.4° |
| H14 | C14 | H15 | 109.5° | 109.4° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H19 | C40 | H20 | 109.4° | 109.5° |
| H19 | C40 | H21 | 109.5° | 109.5° |
| H20 | C40 | H21 | 109.4° | 109.5° |
| H24 | C32 | H25 | 109.5° | 109.5° |
| H32 | C26 | H33 | 109.5° | 111.2° |
| H35 | C29 | H36 | 109.5° | 111.0° |
| H38 | C31 | H39 | 109.5° | 108.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C36 | C37 | H29 | 180.0° | 179.9° |
| C36 | C35 | C34 | H28 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.7° | 0.0° |
| C36 | C35 | C34 | C33 | 0.5° | 0.0° |
| C36 | C35 | C34 | H27 | 179.5° | 180.0° |
| C35 | C36 | C37 | H30 | 179.3° | 180.0° |
| C37 | C36 | C35 | C34 | 0.9° | 0.0° |
| C36 | C37 | C38 | H30 | 180.0° | 180.0° |
| C36 | C37 | C38 | C33 | 3.4° | 0.0° |
| C36 | C37 | C38 | C32 | 176.6° | 179.7° |
| C37 | C36 | C35 | H28 | 179.1° | 180.0° |
| C35 | C34 | C33 | H27 | 180.0° | 180.0° |
| C35 | C34 | C33 | C38 | 3.5° | 0.0° |
| C35 | C34 | C33 | H26 | 176.5° | 179.7° |
| C34 | C35 | C36 | H29 | 179.1° | 179.9° |
| C37 | C38 | C33 | C34 | 4.9° | 0.0° |
| C37 | C38 | C33 | C32 | 179.9° | 179.8° |
| C37 | C38 | C32 | C19 | 74.6° | 90.2° |
| C37 | C38 | C32 | H24 | 45.8° | 149.7° |
| C37 | C38 | C32 | H25 | 165.0° | 29.8° |
| C37 | C38 | C33 | H26 | 175.1° | 179.7° |
| C38 | C37 | C36 | H29 | 179.3° | 179.9° |
| C34 | C33 | C38 | H26 | 180.0° | 179.7° |
| C34 | C33 | C38 | C32 | 175.1° | 179.7° |
| C33 | C34 | C35 | H28 | 179.5° | 180.0° |
| C2 | C3 | C4 | H18 | 180.0° | 179.5° |
| C3 | C2 | O39 | C7 | 175.5° | 179.5° |
| C3 | C2 | O39 | C40 | 176.7° | 180.0° |
| C2 | C3 | C4 | C5 | 3.6° | 0.5° |
| C3 | C2 | C7 | C6 | 10.3° | 0.3° |
| C2 | C3 | C4 | H1 | 176.4° | 179.7° |
| C3 | C2 | C7 | H3 | 169.7° | 179.8° |
| C4 | C3 | C2 | O39 | 174.8° | 180.0° |
| C4 | C3 | C2 | C7 | 9.4° | 0.5° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 1.5° | 0.2° |
| C3 | C4 | C5 | S8 | 177.9° | 179.7° |
| O39 | C2 | C7 | C6 | 174.1° | 179.7° |
| O39 | C2 | C7 | H3 | 5.9° | 0.4° |
| O39 | C2 | C3 | H18 | 5.2° | 0.5° |
| C2 | O39 | C40 | H19 | 180.0° | 60.1° |
| C2 | O39 | C40 | H20 | 60.0° | 60.0° |
| C2 | O39 | C40 | H21 | 60.0° | 180.0° |
| C40 | O39 | C2 | C7 | 7.8° | 0.5° |
| O39 | C40 | H19 | H20 | 120.0° | 120.0° |
| O39 | C40 | H19 | H21 | 120.0° | 119.9° |
| O39 | C40 | H20 | H21 | 120.0° | 119.9° |
| C2 | C7 | C6 | H3 | 180.0° | 179.9° |
| C2 | C7 | C6 | C5 | 5.8° | 0.0° |
| C2 | C7 | C6 | H2 | 174.2° | 180.0° |
| C7 | C2 | C3 | H18 | 170.7° | 180.0° |
| C4 | C5 | S8 | O9 | 32.2° | 150.1° |
| C4 | C5 | C6 | C7 | 0.3° | 0.1° |
| C4 | C5 | C6 | S8 | 179.5° | 180.0° |
| C4 | C5 | S8 | O10 | 162.8° | 17.2° |
| C4 | C5 | S8 | N11 | 82.3° | 96.4° |
| C4 | C5 | C6 | H2 | 179.7° | 180.0° |
| C5 | C4 | C3 | H18 | 176.5° | 180.0° |
| C33 | C38 | C32 | C19 | 105.5° | 90.0° |
| C33 | C38 | C32 | H24 | 134.2° | 30.0° |
| C33 | C38 | C32 | H25 | 14.9° | 150.0° |
| C38 | C33 | C34 | H27 | 176.5° | 180.0° |
| C33 | C38 | C37 | H30 | 176.6° | 180.0° |
| C38 | C32 | C19 | H24 | 120.4° | 120.0° |
| C38 | C32 | C19 | H25 | 120.4° | 120.0° |
| C38 | C32 | C19 | N20 | 61.6° | 65.0° |
| C38 | C32 | C19 | C17 | 179.3° | 175.0° |
| C38 | C32 | C19 | H10 | 55.5° | 55.0° |
| C38 | C32 | H24 | H25 | 118.8° | 120.0° |
| C32 | C38 | C33 | H26 | 4.9° | 0.0° |
| C32 | C38 | C37 | H30 | 3.4° | 0.3° |
| O9 | S8 | C5 | C6 | 148.4° | 29.9° |
| O9 | S8 | C5 | O10 | 130.6° | 132.9° |
| O9 | S8 | C5 | N11 | 114.5° | 113.5° |
| O9 | S8 | O10 | N11 | 119.6° | 122.9° |
| O9 | S8 | N11 | C16 | 31.5° | 23.4° |
| O9 | S8 | N11 | C12 | 169.4° | 156.7° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C7 | C6 | C5 | S8 | 179.2° | 180.0° |
| C6 | C5 | S8 | O10 | 17.7° | 162.9° |
| C6 | C5 | S8 | N11 | 97.1° | 83.6° |
| C6 | C5 | C4 | H1 | 178.5° | 180.0° |
| C5 | C6 | C7 | H3 | 174.2° | 179.9° |
| C5 | S8 | O10 | N11 | 117.4° | 114.1° |
| C5 | S8 | N11 | C16 | 82.4° | 90.1° |
| C5 | S8 | N11 | C12 | 55.5° | 89.8° |
| S8 | C5 | C4 | H1 | 2.1° | 0.1° |
| S8 | C5 | C6 | H2 | 0.8° | 0.1° |
| C32 | C19 | N20 | C17 | 124.8° | 120.0° |
| C32 | C19 | N20 | H10 | 116.4° | 120.0° |
| C32 | C19 | C17 | H10 | 123.6° | 120.0° |
| C32 | C19 | C17 | C16 | 71.9° | 65.0° |
| C32 | C19 | N20 | C21 | 127.0° | 85.0° |
| C32 | C19 | C17 | O18 | 49.2° | 55.0° |
| C32 | C19 | C17 | H8 | 169.6° | 175.0° |
| C32 | C19 | N20 | H23 | 53.0° | 95.0° |
| C19 | C32 | H24 | H25 | 118.8° | 120.0° |
| O10 | S8 | N11 | C16 | 159.3° | 156.3° |
| O10 | S8 | N11 | C12 | 62.8° | 23.8° |
| S8 | N11 | C16 | C12 | 138.7° | 179.9° |
| S8 | N11 | C16 | C17 | 115.8° | 95.0° |
| S8 | N11 | C12 | C13 | 136.3° | 114.5° |
| S8 | N11 | C12 | H11 | 16.1° | 5.4° |
| S8 | N11 | C12 | H12 | 103.4° | 125.4° |
| S8 | N11 | C16 | H16 | 124.5° | 24.9° |
| S8 | N11 | C16 | H17 | 3.9° | 144.9° |
| N20 | C19 | C17 | H10 | 119.1° | 120.0° |
| N20 | C19 | C17 | C16 | 170.8° | 175.0° |
| C19 | N20 | C21 | H23 | 180.0° | 180.0° |
| N20 | C19 | C17 | O18 | 68.1° | 65.0° |
| C19 | N20 | C21 | O22 | 7.4° | 0.0° |
| C19 | N20 | C21 | O23 | 179.0° | 179.9° |
| N20 | C19 | C17 | H8 | 52.3° | 55.0° |
| N20 | C19 | C32 | H24 | 178.0° | 55.0° |
| N20 | C19 | C32 | H25 | 58.7° | 175.0° |
| C19 | C17 | C16 | N11 | 69.1° | 175.0° |
| C19 | C17 | C16 | O18 | 125.1° | 120.0° |
| C19 | C17 | C16 | H8 | 118.8° | 120.1° |
| C17 | C19 | N20 | C21 | 108.2° | 154.9° |
| C19 | C17 | O18 | H8 | 119.6° | 120.0° |
| C19 | C17 | C16 | H16 | 171.2° | 55.1° |
| C19 | C17 | C16 | H17 | 50.6° | 65.0° |
| C19 | C17 | O18 | H22 | 180.0° | 60.1° |
| C17 | C19 | N20 | H23 | 71.8° | 25.0° |
| C17 | C19 | C32 | H24 | 58.9° | 65.0° |
| C17 | C19 | C32 | H25 | 60.3° | 55.0° |
| C30 | C29 | O28 | H35 | 120.6° | 118.1° |
| C30 | C29 | O28 | H36 | 120.6° | 118.1° |
| C29 | C30 | C31 | C27 | 112.7° | 102.8° |
| C29 | C30 | C31 | H37 | 123.4° | 124.6° |
| C29 | C30 | C27 | H37 | 115.7° | 121.8° |
| C29 | C30 | C31 | C24 | 71.2° | 140.0° |
| C30 | C29 | O28 | C42 | 11.6° | 29.6° |
| C29 | C30 | C27 | C42 | 20.5° | 46.3° |
| C29 | C30 | C27 | C26 | 128.8° | 154.5° |
| C29 | C30 | C27 | H34 | 103.5° | 75.6° |
| C30 | C29 | H35 | H36 | 118.1° | 123.6° |
| C29 | C30 | C31 | H38 | 168.0° | 18.6° |
| C29 | C30 | C31 | H39 | 49.7° | 98.7° |
| O28 | C29 | C30 | C31 | 114.8° | 67.2° |
| O28 | C29 | C30 | C27 | 6.2° | 47.3° |
| C29 | O28 | C42 | C27 | 25.2° | 0.8° |
| C29 | O28 | C42 | O41 | 84.9° | 113.6° |
| O28 | C29 | H35 | H36 | 118.1° | 123.8° |
| O28 | C29 | C30 | H37 | 122.0° | 168.9° |
| C29 | O28 | C42 | H40 | 150.6° | 121.4° |
| N11 | C16 | C17 | H16 | 119.7° | 119.9° |
| N11 | C16 | C17 | H17 | 119.7° | 120.0° |
| N11 | C16 | C17 | O18 | 165.8° | 65.0° |
| C16 | N11 | C12 | C13 | 84.3° | 65.4° |
| N11 | C16 | C17 | H8 | 49.7° | 54.9° |
| C16 | N11 | C12 | H11 | 155.4° | 174.6° |
| C16 | N11 | C12 | H12 | 35.9° | 54.6° |
| N11 | C16 | H16 | H17 | 120.9° | 120.0° |
| C12 | N11 | C16 | C17 | 105.5° | 85.1° |
| N11 | C12 | C13 | H11 | 120.2° | 120.0° |
| N11 | C12 | C13 | H12 | 120.2° | 120.0° |
| N11 | C12 | C13 | C14 | 58.2° | 175.7° |
| N11 | C12 | C13 | C15 | 177.6° | 64.4° |
| N11 | C12 | C13 | H4 | 63.9° | 55.7° |
| N11 | C12 | H11 | H12 | 119.3° | 120.0° |
| C12 | N11 | C16 | H16 | 14.2° | 155.0° |
| C12 | N11 | C16 | H17 | 134.8° | 35.0° |
| C16 | C17 | O18 | H8 | 114.9° | 120.0° |
| C16 | C17 | C19 | H10 | 51.7° | 55.0° |
| C17 | C16 | H16 | H17 | 121.0° | 120.0° |
| C16 | C17 | O18 | H22 | 54.5° | 59.9° |
| N20 | C21 | O22 | O23 | 170.9° | 180.0° |
| N20 | C21 | O23 | C24 | 175.6° | 180.0° |
| C21 | N20 | C19 | H10 | 10.6° | 35.0° |
| C31 | C30 | C27 | H37 | 123.6° | 132.3° |
| C30 | C31 | C24 | H38 | 120.8° | 121.4° |
| C30 | C31 | C24 | H39 | 120.8° | 121.3° |
| C30 | C31 | C24 | O23 | 91.0° | 168.8° |
| C31 | C30 | C27 | C42 | 100.2° | 59.6° |
| C31 | C30 | C27 | C26 | 8.0° | 48.6° |
| C30 | C31 | C24 | C25 | 28.5° | 49.0° |
| C30 | C31 | C24 | H9 | 148.4° | 70.8° |
| C31 | C30 | C27 | H34 | 135.8° | 178.6° |
| C31 | C30 | C29 | H35 | 5.8° | 174.7° |
| C31 | C30 | C29 | H36 | 124.6° | 51.0° |
| C30 | C31 | H38 | H39 | 117.4° | 117.5° |
| C27 | C30 | C31 | C24 | 41.6° | 37.3° |
| C30 | C27 | C42 | O28 | 29.8° | 31.2° |
| C30 | C27 | C42 | C26 | 115.7° | 115.0° |
| C30 | C27 | C42 | H34 | 123.9° | 122.0° |
| C30 | C27 | C26 | H34 | 127.8° | 130.4° |
| C30 | C27 | C42 | O41 | 81.4° | 87.2° |
| C30 | C27 | C26 | C25 | 64.6° | 68.5° |
| C30 | C27 | C26 | H32 | 176.8° | 49.1° |
| C30 | C27 | C26 | H33 | 54.0° | 173.8° |
| C27 | C30 | C29 | H35 | 126.8° | 70.8° |
| C27 | C30 | C29 | H36 | 114.4° | 165.5° |
| C27 | C30 | C31 | H38 | 79.3° | 84.1° |
| C27 | C30 | C31 | H39 | 162.4° | 158.5° |
| C30 | C27 | C42 | H40 | 156.1° | 151.7° |
| O18 | C17 | C19 | H10 | 172.8° | 175.0° |
| O18 | C17 | C16 | H16 | 46.1° | 175.1° |
| O18 | C17 | C16 | H17 | 74.6° | 55.0° |
| C31 | C24 | O23 | C21 | 74.5° | 90.7° |
| C31 | C24 | O23 | C25 | 122.1° | 119.2° |
| C31 | C24 | O23 | H9 | 120.0° | 120.4° |
| C31 | C24 | C25 | H9 | 120.3° | 119.8° |
| C31 | C24 | C25 | O41 | 79.4° | 41.9° |
| C31 | C24 | C25 | C26 | 30.2° | 70.7° |
| C31 | C24 | C25 | H31 | 152.0° | 167.3° |
| C24 | C31 | C30 | H37 | 165.5° | 95.4° |
| C24 | C31 | H38 | H39 | 117.5° | 117.3° |
| O22 | C21 | O23 | C24 | 12.3° | 0.0° |
| O22 | C21 | N20 | H23 | 172.6° | 180.0° |
| C21 | O23 | C24 | C25 | 163.5° | 150.1° |
| C21 | O23 | C24 | H9 | 45.5° | 29.7° |
| O23 | C21 | N20 | H23 | 1.0° | 0.0° |
| O28 | C42 | C27 | O41 | 111.2° | 118.4° |
| O28 | C42 | C27 | H40 | 126.3° | 120.5° |
| O28 | C42 | C27 | C26 | 145.6° | 146.2° |
| O28 | C42 | O41 | H40 | 124.8° | 124.7° |
| O28 | C42 | O41 | C25 | 121.5° | 119.6° |
| O28 | C42 | C27 | H34 | 94.0° | 90.8° |
| C42 | O28 | C29 | H35 | 109.0° | 88.5° |
| C42 | O28 | C29 | H36 | 132.2° | 147.7° |
| C12 | C13 | C14 | C15 | 118.5° | 120.0° |
| C12 | C13 | C14 | H4 | 122.0° | 120.0° |
| C12 | C13 | C15 | H4 | 113.8° | 120.0° |
| C12 | C13 | C15 | H5 | 180.0° | 67.2° |
| C12 | C13 | C15 | H6 | 60.0° | 172.8° |
| C12 | C13 | C15 | H7 | 60.0° | 52.8° |
| C13 | C12 | H11 | H12 | 119.3° | 120.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14 | 60.0° | 60.0° |
| C12 | C13 | C14 | H15 | 60.0° | 60.0° |
| O23 | C24 | C25 | H9 | 118.9° | 120.3° |
| O23 | C24 | C25 | O41 | 41.3° | 78.0° |
| O23 | C24 | C25 | C26 | 150.9° | 169.4° |
| O23 | C24 | C25 | H31 | 87.2° | 47.4° |
| O23 | C24 | C31 | H38 | 148.2° | 47.3° |
| O23 | C24 | C31 | H39 | 29.8° | 69.9° |
| C42 | C27 | C26 | H34 | 120.6° | 123.4° |
| C27 | C42 | O41 | H40 | 121.9° | 120.8° |
| C27 | C42 | O41 | C25 | 8.3° | 5.1° |
| C42 | C27 | C26 | C25 | 47.0° | 37.6° |
| C42 | C27 | C26 | H32 | 71.6° | 155.3° |
| C42 | C27 | C26 | H33 | 165.6° | 80.1° |
| C42 | C27 | C30 | H37 | 136.2° | 168.1° |
| C27 | C26 | C25 | C24 | 77.7° | 78.6° |
| C26 | C27 | C42 | O41 | 34.4° | 27.8° |
| C27 | C26 | C25 | O41 | 41.3° | 35.9° |
| C27 | C26 | C25 | H32 | 118.6° | 117.7° |
| C27 | C26 | C25 | H33 | 118.6° | 117.7° |
| C27 | C26 | C25 | H31 | 160.4° | 159.5° |
| C27 | C26 | H32 | H33 | 124.1° | 124.8° |
| C26 | C27 | C30 | H37 | 115.5° | 83.7° |
| C26 | C27 | C42 | H40 | 88.1° | 93.3° |
| C24 | C25 | O41 | C42 | 93.7° | 91.2° |
| C24 | C25 | O41 | C26 | 114.6° | 110.9° |
| C24 | C25 | O41 | H31 | 127.7° | 125.4° |
| C24 | C25 | C26 | H31 | 121.9° | 121.9° |
| C24 | C25 | C26 | H32 | 163.7° | 39.0° |
| C24 | C25 | C26 | H33 | 40.9° | 163.7° |
| C25 | C24 | C31 | H38 | 92.3° | 72.4° |
| C25 | C24 | C31 | H39 | 149.3° | 170.3° |
| C42 | O41 | C25 | C26 | 20.9° | 19.7° |
| C42 | O41 | C25 | H31 | 138.6° | 143.4° |
| O41 | C42 | C27 | H34 | 154.7° | 150.8° |
| C14 | C13 | C15 | H4 | 119.7° | 120.0° |
| C14 | C13 | C15 | H5 | 53.6° | 172.8° |
| C14 | C13 | C15 | H6 | 66.4° | 52.8° |
| C14 | C13 | C15 | H7 | 173.6° | 67.2° |
| C14 | C13 | C12 | H11 | 62.0° | 64.3° |
| C14 | C13 | C12 | H12 | 178.5° | 55.7° |
| C13 | C14 | H13 | H14 | 120.0° | 120.0° |
| C13 | C14 | H13 | H15 | 120.0° | 120.0° |
| C13 | C14 | H14 | H15 | 120.0° | 120.0° |
| C13 | C15 | H5 | H6 | 120.0° | 120.0° |
| C13 | C15 | H5 | H7 | 120.0° | 120.0° |
| C13 | C15 | H6 | H7 | 120.0° | 120.0° |
| C15 | C13 | C12 | H11 | 62.2° | 55.6° |
| C15 | C13 | C12 | H12 | 57.3° | 175.6° |
| C15 | C13 | C14 | H13 | 61.5° | 60.0° |
| C15 | C13 | C14 | H14 | 178.5° | 180.0° |
| C15 | C13 | C14 | H15 | 58.5° | 60.0° |
| O41 | C25 | C26 | H31 | 119.1° | 123.6° |
| O41 | C25 | C24 | H9 | 160.3° | 161.7° |
| O41 | C25 | C26 | H32 | 77.2° | 153.5° |
| O41 | C25 | C26 | H33 | 159.9° | 81.8° |
| C25 | O41 | C42 | H40 | 113.7° | 115.7° |
| C26 | C25 | C24 | H9 | 90.1° | 49.1° |
| C25 | C26 | H32 | H33 | 124.0° | 124.8° |
| C25 | C26 | C27 | H34 | 167.6° | 161.0° |
| H1 | C4 | C3 | H18 | 3.5° | 0.2° |
| H2 | C6 | C7 | H3 | 5.8° | 0.0° |
| H4 | C13 | C15 | H5 | 66.2° | 52.8° |
| H4 | C13 | C15 | H6 | 173.8° | 67.2° |
| H4 | C13 | C15 | H7 | 53.8° | 172.8° |
| H4 | C13 | C12 | H11 | 175.9° | 175.7° |
| H4 | C13 | C12 | H12 | 56.4° | 64.3° |
| H4 | C13 | C14 | H13 | 58.0° | 60.0° |
| H4 | C13 | C14 | H14 | 62.0° | 60.0° |
| H4 | C13 | C14 | H15 | 178.0° | 180.0° |
| H5 | C15 | H6 | H7 | 120.0° | 120.0° |
| H8 | C17 | C19 | H10 | 66.9° | 65.0° |
| H8 | C17 | C16 | H16 | 70.0° | 65.0° |
| H8 | C17 | C16 | H17 | 169.4° | 175.0° |
| H8 | C17 | O18 | H22 | 60.4° | 180.0° |
| H9 | C24 | C25 | H31 | 31.7° | 72.9° |
| H9 | C24 | C31 | H38 | 27.6° | 167.8° |
| H9 | C24 | C31 | H39 | 90.8° | 50.5° |
| H10 | C19 | N20 | H23 | 169.4° | 145.0° |
| H10 | C19 | C32 | H24 | 64.9° | 175.0° |
| H10 | C19 | C32 | H25 | 175.8° | 65.0° |
| H13 | C14 | H14 | H15 | 120.0° | 119.9° |
| H19 | C40 | H20 | H21 | 120.0° | 120.0° |
| H26 | C33 | C34 | H27 | 3.5° | 0.2° |
| H27 | C34 | C35 | H28 | 0.5° | 0.0° |
| H28 | C35 | C36 | H29 | 0.9° | 0.1° |
| H29 | C36 | C37 | H30 | 0.7° | 0.1° |
| H31 | C25 | C26 | H32 | 41.8° | 82.9° |
| H31 | C25 | C26 | H33 | 81.0° | 41.8° |
| H32 | C26 | C27 | H34 | 49.0° | 81.3° |
| H33 | C26 | C27 | H34 | 73.8° | 43.4° |
| H34 | C27 | C30 | H37 | 12.2° | 46.3° |
| H34 | C27 | C42 | H40 | 32.3° | 29.7° |
| H35 | C29 | C30 | H37 | 117.4° | 50.8° |
| H36 | C29 | C30 | H37 | 1.4° | 72.9° |
| H37 | C30 | C31 | H38 | 44.6° | 143.2° |
| H37 | C30 | C31 | H39 | 73.7° | 25.8° |
