8ZV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O40 | S02 | doub | 1.42Å | 1.58Å | |
| O01 | S02 | doub | 1.42Å | 1.59Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| S02 | N03 | sing | 1.66Å | 1.72Å | |
| S02 | C33 | sing | 1.81Å | 1.84Å | |
| C08 | N03 | sing | 1.47Å | 1.47Å | |
| C08 | C09 | sing | 1.51Å | 1.51Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| N03 | C04 | sing | 1.47Å | 1.50Å | |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.51Å | 1.50Å | |
| C09 | O32 | doub | 1.21Å | 1.20Å | |
| C09 | O10 | sing | 1.34Å | 1.36Å | |
| O10 | C11 | sing | 1.45Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| O18 | C17 | sing | 1.36Å | 1.37Å | |
| O18 | C19 | sing | 1.43Å | 1.44Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | N13 | sing | 1.46Å | 1.46Å | |
| N13 | C14 | sing | 1.35Å | 1.35Å | |
| C17 | C23 | sing | 1.39Å | 1.37Å | Aromatic |
| O31 | C14 | doub | 1.22Å | 1.22Å | |
| C14 | C15 | sing | 1.48Å | 1.50Å | |
| C15 | C30 | doub | 1.40Å | 1.39Å | Aromatic |
| O21 | C20 | sing | 1.43Å | 1.43Å | |
| O21 | C22 | sing | 1.43Å | 1.43Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | O25 | sing | 1.36Å | 1.37Å | |
| O25 | C26 | sing | 1.43Å | 1.44Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | O28 | sing | 1.43Å | 1.43Å | |
| O28 | C29 | sing | 1.43Å | 1.43Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.08Å | 1.08Å | |
| C38 | H36 | sing | 1.08Å | 1.08Å | |
| C39 | H37 | sing | 1.08Å | 1.08Å | |
| N13 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O40 | S02 | O01 | 117.7° | 121.0° |
| O40 | S02 | N03 | 106.4° | 104.3° |
| O40 | S02 | C33 | 113.9° | 110.6° |
| O01 | S02 | N03 | 108.3° | 104.2° |
| O01 | S02 | C33 | 108.1° | 110.6° |
| C08 | C07 | C06 | 111.6° | 109.3° |
| C07 | C08 | N03 | 108.2° | 108.9° |
| C07 | C08 | C09 | 107.1° | 109.6° |
| C08 | C07 | H12 | 108.9° | 109.5° |
| C08 | C07 | H13 | 108.9° | 109.5° |
| C07 | C08 | H14 | 108.5° | 109.6° |
| C07 | C06 | C05 | 109.7° | 109.5° |
| C07 | C06 | H10 | 109.4° | 109.5° |
| C07 | C06 | H11 | 109.4° | 109.5° |
| C06 | C07 | H12 | 108.9° | 109.5° |
| C06 | C07 | H13 | 108.9° | 109.4° |
| N03 | S02 | C33 | 100.9° | 104.4° |
| S02 | N03 | C08 | 119.9° | 120.6° |
| S02 | N03 | C04 | 119.2° | 120.6° |
| S02 | C33 | C34 | 111.5° | 109.4° |
| S02 | C33 | H31 | 108.9° | 109.5° |
| S02 | C33 | H32 | 108.9° | 109.5° |
| N03 | C08 | C09 | 114.6° | 109.6° |
| C08 | N03 | C04 | 120.9° | 118.7° |
| N03 | C08 | H14 | 109.4° | 109.5° |
| C08 | C09 | O32 | 123.3° | 120.0° |
| C08 | C09 | O10 | 113.8° | 120.0° |
| C09 | C08 | H14 | 108.9° | 109.7° |
| C06 | C05 | C04 | 110.5° | 109.3° |
| C06 | C05 | H8 | 109.2° | 109.5° |
| C06 | C05 | H9 | 109.2° | 109.5° |
| C05 | C06 | H10 | 109.4° | 109.4° |
| C05 | C06 | H11 | 109.4° | 109.4° |
| C05 | C04 | N03 | 109.0° | 108.9° |
| C05 | C04 | H6 | 109.6° | 109.5° |
| C05 | C04 | H7 | 109.6° | 109.6° |
| C04 | C05 | H8 | 109.2° | 109.5° |
| C04 | C05 | H9 | 109.2° | 109.5° |
| N03 | C04 | H6 | 109.6° | 109.6° |
| N03 | C04 | H7 | 109.6° | 109.6° |
| C37 | C36 | C35 | 120.0° | 120.0° |
| C36 | C37 | C38 | 119.9° | 120.0° |
| C37 | C36 | H34 | 120.0° | 120.0° |
| C36 | C37 | H35 | 120.0° | 120.0° |
| C36 | C35 | C34 | 120.2° | 120.0° |
| C36 | C35 | H33 | 119.9° | 120.0° |
| C35 | C36 | H34 | 120.0° | 120.0° |
| C37 | C38 | C39 | 120.2° | 120.0° |
| C38 | C37 | H35 | 120.0° | 120.0° |
| C37 | C38 | H36 | 119.9° | 120.0° |
| C35 | C34 | C39 | 119.6° | 120.0° |
| C35 | C34 | C33 | 119.9° | 120.0° |
| C34 | C35 | H33 | 119.9° | 120.0° |
| C38 | C39 | C34 | 120.0° | 120.0° |
| C39 | C38 | H36 | 119.9° | 120.0° |
| C38 | C39 | H37 | 120.0° | 120.0° |
| C39 | C34 | C33 | 120.5° | 120.0° |
| C34 | C39 | H37 | 120.0° | 120.0° |
| C34 | C33 | H31 | 109.0° | 109.5° |
| C34 | C33 | H32 | 109.0° | 109.5° |
| O32 | C09 | O10 | 122.9° | 120.0° |
| C09 | O10 | C11 | 117.2° | 117.0° |
| O10 | C11 | C12 | 109.0° | 109.5° |
| O10 | C11 | H1 | 109.6° | 109.4° |
| O10 | C11 | H2 | 109.6° | 109.4° |
| C11 | C12 | N13 | 109.2° | 109.5° |
| C12 | C11 | H1 | 109.6° | 109.5° |
| C12 | C11 | H2 | 109.6° | 109.5° |
| C11 | C12 | H4 | 109.5° | 109.5° |
| C11 | C12 | H5 | 109.6° | 109.4° |
| C17 | O18 | C19 | 122.3° | 117.0° |
| O18 | C17 | C16 | 115.4° | 119.9° |
| O18 | C17 | C23 | 124.5° | 119.9° |
| O18 | C19 | C20 | 104.6° | 109.5° |
| O18 | C19 | H15 | 110.7° | 109.5° |
| O18 | C19 | H16 | 110.7° | 109.5° |
| C17 | C16 | C15 | 119.8° | 119.9° |
| C16 | C17 | C23 | 120.1° | 120.1° |
| C17 | C16 | H3 | 120.1° | 120.0° |
| C16 | C15 | C14 | 123.0° | 120.1° |
| C16 | C15 | C30 | 120.8° | 119.8° |
| C15 | C16 | H3 | 120.1° | 120.1° |
| C12 | N13 | C14 | 122.0° | 120.0° |
| N13 | C12 | H4 | 109.5° | 109.5° |
| N13 | C12 | H5 | 109.5° | 109.5° |
| C12 | N13 | H38 | 119.0° | 120.0° |
| N13 | C14 | O31 | 122.4° | 120.0° |
| N13 | C14 | C15 | 116.8° | 120.0° |
| C14 | N13 | H38 | 119.0° | 120.0° |
| C17 | C23 | C24 | 119.8° | 120.2° |
| C17 | C23 | H22 | 120.1° | 119.9° |
| O31 | C14 | C15 | 120.9° | 120.0° |
| C14 | C15 | C30 | 116.1° | 120.1° |
| C15 | C30 | C24 | 119.2° | 119.9° |
| C15 | C30 | H30 | 120.4° | 120.0° |
| C20 | O21 | C22 | 115.0° | 114.0° |
| O21 | C20 | C19 | 105.3° | 109.5° |
| O21 | C20 | H17 | 110.5° | 109.5° |
| O21 | C20 | H18 | 110.5° | 109.5° |
| O21 | C22 | H19 | 109.5° | 109.4° |
| O21 | C22 | H20 | 109.5° | 109.5° |
| O21 | C22 | H21 | 109.5° | 109.5° |
| C20 | C19 | H15 | 110.7° | 109.5° |
| C20 | C19 | H16 | 110.7° | 109.5° |
| C19 | C20 | H17 | 110.5° | 109.5° |
| C19 | C20 | H18 | 110.5° | 109.4° |
| C23 | C24 | C30 | 120.2° | 120.1° |
| C23 | C24 | O25 | 115.5° | 120.0° |
| C24 | C23 | H22 | 120.1° | 119.9° |
| C30 | C24 | O25 | 124.3° | 120.0° |
| C24 | C30 | H30 | 120.4° | 120.0° |
| C24 | O25 | C26 | 121.5° | 117.0° |
| O25 | C26 | C27 | 105.0° | 109.5° |
| O25 | C26 | H23 | 110.6° | 109.5° |
| O25 | C26 | H24 | 110.6° | 109.4° |
| C26 | C27 | O28 | 105.2° | 109.5° |
| C27 | C26 | H23 | 110.6° | 109.5° |
| C27 | C26 | H24 | 110.6° | 109.5° |
| C26 | C27 | H25 | 110.5° | 109.5° |
| C26 | C27 | H26 | 110.6° | 109.4° |
| C27 | O28 | C29 | 115.0° | 114.0° |
| O28 | C27 | H25 | 110.6° | 109.5° |
| O28 | C27 | H26 | 110.5° | 109.5° |
| O28 | C29 | H27 | 109.5° | 109.4° |
| O28 | C29 | H28 | 109.5° | 109.5° |
| O28 | C29 | H29 | 109.5° | 109.5° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.4° |
| H6 | C04 | H7 | 109.5° | 109.6° |
| H8 | C05 | H9 | 109.5° | 109.5° |
| H10 | C06 | H11 | 109.5° | 109.5° |
| H12 | C07 | H13 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.4° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H19 | C22 | H21 | 109.4° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| H25 | C27 | H26 | 109.4° | 109.5° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| H27 | C29 | H29 | 109.4° | 109.5° |
| H28 | C29 | H29 | 109.5° | 109.5° |
| H31 | C33 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O40 | S02 | O01 | N03 | 120.7° | 116.7° |
| O40 | S02 | O01 | C33 | 130.8° | 131.6° |
| O40 | S02 | N03 | C33 | 119.2° | 116.1° |
| O40 | S02 | N03 | C08 | 15.4° | 157.0° |
| O40 | S02 | N03 | C04 | 166.8° | 23.2° |
| O40 | S02 | C33 | C34 | 75.6° | 68.4° |
| O40 | S02 | C33 | H31 | 44.7° | 51.6° |
| O40 | S02 | C33 | H32 | 164.0° | 171.6° |
| O01 | S02 | N03 | C33 | 113.4° | 116.1° |
| O01 | S02 | N03 | C08 | 142.8° | 29.2° |
| O01 | S02 | N03 | C04 | 39.4° | 151.1° |
| O01 | S02 | C33 | C34 | 57.2° | 68.4° |
| O01 | S02 | C33 | H31 | 177.5° | 171.6° |
| O01 | S02 | C33 | H32 | 63.1° | 51.6° |
| C08 | C07 | C06 | H12 | 120.3° | 120.0° |
| C08 | C07 | C06 | H13 | 120.3° | 119.9° |
| C07 | C08 | N03 | S02 | 133.0° | 126.4° |
| C07 | C08 | N03 | C09 | 119.4° | 119.8° |
| C07 | C08 | N03 | H14 | 118.0° | 119.8° |
| C07 | C08 | C09 | H14 | 117.1° | 120.4° |
| C08 | C07 | C06 | C05 | 59.7° | 61.4° |
| C07 | C08 | N03 | C04 | 49.2° | 53.4° |
| C07 | C08 | C09 | O32 | 52.7° | 66.6° |
| C07 | C08 | C09 | O10 | 128.2° | 113.3° |
| C08 | C07 | C06 | H10 | 60.3° | 58.6° |
| C08 | C07 | C06 | H11 | 179.7° | 178.6° |
| C08 | C07 | H12 | H13 | 119.0° | 120.1° |
| C06 | C07 | C08 | N03 | 51.5° | 54.6° |
| C06 | C07 | C08 | C09 | 72.5° | 174.4° |
| C07 | C06 | C05 | H10 | 120.0° | 120.0° |
| C07 | C06 | C05 | H11 | 120.0° | 120.0° |
| C07 | C06 | C05 | C04 | 59.9° | 61.3° |
| C07 | C06 | C05 | H8 | 179.9° | 178.7° |
| C07 | C06 | C05 | H9 | 60.2° | 58.6° |
| C07 | C06 | H10 | H11 | 119.9° | 120.1° |
| C06 | C07 | H12 | H13 | 119.0° | 120.0° |
| C06 | C07 | C08 | H14 | 170.1° | 65.2° |
| S02 | N03 | C08 | C04 | 177.8° | 179.7° |
| S02 | N03 | C08 | C09 | 107.6° | 6.5° |
| S02 | N03 | C04 | C05 | 131.8° | 126.4° |
| N03 | S02 | C33 | C34 | 170.7° | 180.0° |
| S02 | N03 | C04 | H6 | 108.3° | 6.5° |
| S02 | N03 | C04 | H7 | 11.9° | 113.8° |
| S02 | N03 | C08 | H14 | 15.0° | 113.8° |
| N03 | S02 | C33 | H31 | 69.0° | 60.0° |
| N03 | S02 | C33 | H32 | 50.4° | 60.0° |
| C33 | S02 | N03 | C08 | 103.8° | 86.9° |
| C33 | S02 | N03 | C04 | 74.0° | 92.8° |
| S02 | C33 | C34 | C35 | 92.0° | 89.7° |
| S02 | C33 | C34 | C39 | 87.5° | 90.0° |
| S02 | C33 | C34 | H31 | 120.3° | 120.0° |
| S02 | C33 | C34 | H32 | 120.3° | 120.0° |
| S02 | C33 | H31 | H32 | 119.0° | 120.0° |
| N03 | C08 | C09 | H14 | 122.9° | 120.2° |
| C08 | N03 | C04 | C05 | 50.4° | 53.4° |
| N03 | C08 | C09 | O32 | 172.7° | 52.8° |
| N03 | C08 | C09 | O10 | 8.2° | 127.3° |
| C08 | N03 | C04 | H6 | 69.5° | 173.2° |
| C08 | N03 | C04 | H7 | 170.3° | 66.5° |
| N03 | C08 | C07 | H12 | 171.8° | 174.6° |
| N03 | C08 | C07 | H13 | 68.8° | 65.3° |
| C09 | C08 | N03 | C04 | 70.2° | 173.2° |
| C08 | C09 | O32 | O10 | 179.1° | 179.9° |
| C08 | C09 | O10 | C11 | 160.3° | 180.0° |
| C09 | C08 | C07 | H12 | 47.8° | 65.6° |
| C09 | C08 | C07 | H13 | 167.2° | 54.5° |
| C06 | C05 | C04 | H8 | 120.2° | 119.9° |
| C06 | C05 | C04 | H9 | 120.2° | 119.9° |
| C06 | C05 | C04 | N03 | 52.5° | 54.6° |
| C06 | C05 | C04 | H6 | 67.4° | 174.4° |
| C06 | C05 | C04 | H7 | 172.4° | 65.3° |
| C06 | C05 | H8 | H9 | 119.5° | 120.1° |
| C05 | C06 | H10 | H11 | 119.9° | 119.9° |
| C05 | C06 | C07 | H12 | 180.0° | 178.6° |
| C05 | C06 | C07 | H13 | 60.6° | 58.6° |
| C05 | C04 | N03 | H6 | 119.9° | 119.8° |
| C05 | C04 | N03 | H7 | 119.9° | 119.9° |
| C05 | C04 | H6 | H7 | 120.2° | 120.2° |
| C04 | C05 | H8 | H9 | 119.5° | 120.1° |
| C04 | C05 | C06 | H10 | 60.1° | 58.7° |
| C04 | C05 | C06 | H11 | 180.0° | 178.6° |
| N03 | C04 | H6 | H7 | 120.2° | 120.3° |
| N03 | C04 | C05 | H8 | 172.6° | 174.5° |
| N03 | C04 | C05 | H9 | 67.7° | 65.4° |
| C04 | N03 | C08 | H14 | 167.2° | 66.5° |
| C37 | C36 | C35 | H34 | 180.0° | 179.9° |
| C36 | C37 | C38 | H35 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 0.1° | 0.0° |
| C36 | C37 | C38 | C39 | 0.0° | 0.1° |
| C37 | C36 | C35 | H33 | 179.9° | 180.0° |
| C36 | C37 | C38 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.0° | 0.0° |
| C36 | C35 | C34 | H33 | 180.0° | 180.0° |
| C36 | C35 | C34 | C39 | 0.2° | 0.0° |
| C36 | C35 | C34 | C33 | 179.7° | 179.7° |
| C35 | C36 | C37 | H35 | 180.0° | 179.9° |
| C37 | C38 | C39 | H36 | 180.0° | 180.0° |
| C37 | C38 | C39 | C34 | 0.1° | 0.1° |
| C38 | C37 | C36 | H34 | 180.0° | 180.0° |
| C37 | C38 | C39 | H37 | 179.9° | 179.8° |
| C35 | C34 | C39 | C38 | 0.2° | 0.0° |
| C35 | C34 | C39 | C33 | 179.5° | 179.8° |
| C35 | C34 | C33 | H31 | 28.3° | 30.3° |
| C35 | C34 | C33 | H32 | 147.7° | 150.3° |
| C34 | C35 | C36 | H34 | 179.9° | 179.9° |
| C35 | C34 | C39 | H37 | 179.8° | 179.7° |
| C38 | C39 | C34 | H37 | 180.0° | 179.7° |
| C38 | C39 | C34 | C33 | 179.7° | 179.7° |
| C39 | C38 | C37 | H35 | 180.0° | 179.9° |
| C39 | C34 | C33 | H31 | 152.2° | 150.0° |
| C39 | C34 | C33 | H32 | 32.9° | 30.0° |
| C39 | C34 | C35 | H33 | 179.8° | 180.0° |
| C34 | C39 | C38 | H36 | 179.9° | 180.0° |
| C34 | C33 | H31 | H32 | 119.1° | 120.0° |
| C33 | C34 | C35 | H33 | 0.3° | 0.3° |
| C33 | C34 | C39 | H37 | 0.3° | 0.0° |
| O32 | C09 | O10 | C11 | 20.6° | 0.1° |
| O32 | C09 | C08 | H14 | 64.4° | 173.0° |
| C09 | O10 | C11 | C12 | 123.7° | 180.0° |
| C09 | O10 | C11 | H1 | 3.7° | 59.9° |
| C09 | O10 | C11 | H2 | 116.4° | 60.0° |
| O10 | C09 | C08 | H14 | 114.7° | 7.1° |
| O10 | C11 | C12 | H1 | 119.9° | 120.0° |
| O10 | C11 | C12 | H2 | 119.9° | 120.0° |
| O10 | C11 | C12 | N13 | 59.6° | 65.0° |
| O10 | C11 | H1 | H2 | 120.2° | 119.9° |
| O10 | C11 | C12 | H4 | 60.4° | 175.0° |
| O10 | C11 | C12 | H5 | 179.5° | 55.1° |
| C11 | C12 | N13 | H4 | 119.9° | 120.0° |
| C11 | C12 | N13 | H5 | 120.0° | 120.0° |
| C11 | C12 | N13 | C14 | 146.1° | 180.0° |
| C12 | C11 | H1 | H2 | 120.2° | 120.0° |
| C11 | C12 | H4 | H5 | 120.2° | 119.9° |
| C11 | C12 | N13 | H38 | 33.9° | 0.0° |
| O18 | C17 | C16 | C23 | 179.9° | 180.0° |
| O18 | C17 | C16 | C15 | 179.7° | 180.0° |
| C17 | O18 | C19 | C20 | 144.2° | 180.0° |
| O18 | C17 | C23 | C24 | 179.7° | 180.0° |
| O18 | C17 | C16 | H3 | 0.3° | 0.2° |
| C17 | O18 | C19 | H15 | 96.6° | 60.0° |
| C17 | O18 | C19 | H16 | 25.0° | 60.0° |
| O18 | C17 | C23 | H22 | 0.3° | 0.0° |
| C19 | O18 | C17 | C16 | 138.6° | 180.0° |
| C19 | O18 | C17 | C23 | 41.5° | 0.0° |
| O18 | C19 | C20 | O21 | 141.4° | 65.0° |
| O18 | C19 | C20 | H15 | 119.2° | 120.0° |
| O18 | C19 | C20 | H16 | 119.2° | 120.0° |
| O18 | C19 | H15 | H16 | 122.3° | 120.0° |
| O18 | C19 | C20 | H17 | 22.1° | 175.0° |
| O18 | C19 | C20 | H18 | 99.2° | 55.0° |
| C17 | C16 | C15 | H3 | 180.0° | 179.8° |
| C17 | C16 | C15 | C14 | 179.8° | 180.0° |
| C17 | C16 | C15 | C30 | 0.1° | 0.0° |
| C16 | C17 | C23 | C24 | 0.1° | 0.0° |
| C16 | C17 | C23 | H22 | 179.8° | 180.0° |
| C16 | C15 | C14 | N13 | 18.5° | 180.0° |
| C15 | C16 | C17 | C23 | 0.2° | 0.0° |
| C16 | C15 | C14 | O31 | 160.9° | 0.0° |
| C16 | C15 | C14 | C30 | 180.0° | 180.0° |
| C16 | C15 | C30 | C24 | 0.0° | 0.0° |
| C16 | C15 | C30 | H30 | 180.0° | 180.0° |
| C12 | N13 | C14 | H38 | 180.0° | 180.0° |
| C12 | N13 | C14 | O31 | 0.3° | 0.1° |
| C12 | N13 | C14 | C15 | 179.7° | 180.0° |
| N13 | C12 | C11 | H1 | 179.5° | 175.0° |
| N13 | C12 | C11 | H2 | 60.4° | 55.0° |
| N13 | C12 | H4 | H5 | 120.1° | 120.0° |
| N13 | C14 | O31 | C15 | 179.4° | 179.9° |
| N13 | C14 | C15 | C30 | 161.5° | 0.0° |
| C14 | N13 | C12 | H4 | 26.2° | 60.0° |
| C14 | N13 | C12 | H5 | 93.9° | 60.0° |
| C17 | C23 | C24 | H22 | 180.0° | 180.0° |
| C17 | C23 | C24 | C30 | 0.0° | 0.0° |
| C17 | C23 | C24 | O25 | 179.9° | 180.0° |
| C23 | C17 | C16 | H3 | 179.8° | 179.7° |
| O31 | C14 | C15 | C30 | 19.1° | 180.0° |
| O31 | C14 | N13 | H38 | 179.7° | 179.9° |
| C14 | C15 | C30 | C24 | 180.0° | 180.0° |
| C14 | C15 | C16 | H3 | 0.2° | 0.2° |
| C14 | C15 | C30 | H30 | 0.0° | 0.0° |
| C15 | C14 | N13 | H38 | 0.3° | 0.0° |
| C15 | C30 | C24 | C23 | 0.0° | 0.0° |
| C15 | C30 | C24 | H30 | 180.0° | 180.0° |
| C15 | C30 | C24 | O25 | 179.9° | 179.9° |
| C30 | C15 | C16 | H3 | 179.9° | 179.8° |
| O21 | C20 | C19 | H17 | 119.3° | 120.0° |
| O21 | C20 | C19 | H18 | 119.3° | 120.0° |
| O21 | C20 | C19 | H15 | 22.2° | 175.0° |
| O21 | C20 | C19 | H16 | 99.3° | 55.0° |
| O21 | C20 | H17 | H18 | 121.9° | 120.0° |
| C20 | O21 | C22 | H19 | 180.0° | 60.0° |
| C20 | O21 | C22 | H20 | 60.0° | 60.0° |
| C20 | O21 | C22 | H21 | 60.0° | 180.0° |
| C22 | O21 | C20 | C19 | 114.9° | 180.0° |
| C22 | O21 | C20 | H17 | 125.7° | 60.1° |
| C22 | O21 | C20 | H18 | 4.4° | 60.0° |
| O21 | C22 | H19 | H20 | 120.0° | 120.0° |
| O21 | C22 | H19 | H21 | 120.0° | 120.0° |
| O21 | C22 | H20 | H21 | 120.0° | 120.0° |
| C20 | C19 | H15 | H16 | 122.3° | 120.0° |
| C19 | C20 | H17 | H18 | 122.0° | 120.0° |
| C23 | C24 | C30 | O25 | 179.9° | 179.9° |
| C23 | C24 | O25 | C26 | 25.5° | 0.1° |
| C23 | C24 | C30 | H30 | 180.0° | 180.0° |
| C30 | C24 | O25 | C26 | 154.4° | 180.0° |
| C30 | C24 | C23 | H22 | 180.0° | 180.0° |
| C24 | O25 | C26 | C27 | 147.7° | 180.0° |
| O25 | C24 | C23 | H22 | 0.0° | 0.1° |
| C24 | O25 | C26 | H23 | 28.5° | 60.0° |
| C24 | O25 | C26 | H24 | 93.0° | 60.0° |
| O25 | C24 | C30 | H30 | 0.1° | 0.0° |
| O25 | C26 | C27 | H23 | 119.3° | 120.0° |
| O25 | C26 | C27 | H24 | 119.3° | 120.0° |
| O25 | C26 | C27 | O28 | 98.7° | 65.0° |
| O25 | C26 | H23 | H24 | 122.1° | 120.0° |
| O25 | C26 | C27 | H25 | 142.0° | 175.0° |
| O25 | C26 | C27 | H26 | 20.7° | 55.0° |
| C26 | C27 | O28 | H25 | 119.3° | 120.0° |
| C26 | C27 | O28 | H26 | 119.4° | 120.0° |
| C26 | C27 | O28 | C29 | 90.6° | 180.0° |
| C27 | C26 | H23 | H24 | 122.1° | 120.0° |
| C26 | C27 | H25 | H26 | 122.0° | 119.9° |
| O28 | C27 | C26 | H23 | 20.6° | 175.0° |
| O28 | C27 | C26 | H24 | 142.1° | 55.0° |
| O28 | C27 | H25 | H26 | 122.0° | 120.1° |
| C27 | O28 | C29 | H27 | 180.0° | 180.0° |
| C27 | O28 | C29 | H28 | 60.0° | 60.1° |
| C27 | O28 | C29 | H29 | 60.0° | 60.0° |
| C29 | O28 | C27 | H25 | 150.0° | 60.0° |
| C29 | O28 | C27 | H26 | 28.7° | 60.0° |
| O28 | C29 | H27 | H28 | 120.0° | 120.0° |
| O28 | C29 | H27 | H29 | 120.0° | 120.0° |
| O28 | C29 | H28 | H29 | 120.0° | 120.0° |
| H1 | C11 | C12 | H4 | 59.6° | 54.9° |
| H1 | C11 | C12 | H5 | 60.6° | 64.9° |
| H2 | C11 | C12 | H4 | 179.7° | 65.1° |
| H2 | C11 | C12 | H5 | 59.6° | 175.0° |
| H4 | C12 | N13 | H38 | 153.8° | 120.0° |
| H5 | C12 | N13 | H38 | 86.1° | 120.0° |
| H6 | C04 | C05 | H8 | 52.7° | 65.6° |
| H6 | C04 | C05 | H9 | 172.4° | 54.5° |
| H7 | C04 | C05 | H8 | 67.4° | 54.6° |
| H7 | C04 | C05 | H9 | 52.3° | 174.7° |
| H8 | C05 | C06 | H10 | 60.0° | 61.3° |
| H8 | C05 | C06 | H11 | 59.9° | 58.7° |
| H9 | C05 | C06 | H10 | 179.7° | 178.6° |
| H9 | C05 | C06 | H11 | 59.8° | 61.4° |
| H10 | C06 | C07 | H12 | 60.0° | 61.4° |
| H10 | C06 | C07 | H13 | 179.4° | 178.5° |
| H11 | C06 | C07 | H12 | 60.0° | 58.6° |
| H11 | C06 | C07 | H13 | 59.4° | 61.4° |
| H12 | C07 | C08 | H14 | 69.6° | 54.8° |
| H13 | C07 | C08 | H14 | 49.8° | 174.9° |
| H15 | C19 | C20 | H17 | 97.1° | 55.0° |
| H15 | C19 | C20 | H18 | 141.5° | 65.0° |
| H16 | C19 | C20 | H17 | 141.3° | 64.9° |
| H16 | C19 | C20 | H18 | 20.0° | 175.0° |
| H19 | C22 | H20 | H21 | 120.0° | 120.1° |
| H23 | C26 | C27 | H25 | 98.7° | 55.0° |
| H23 | C26 | C27 | H26 | 139.9° | 65.0° |
| H24 | C26 | C27 | H25 | 22.7° | 65.0° |
| H24 | C26 | C27 | H26 | 98.6° | 175.0° |
| H27 | C29 | H28 | H29 | 120.0° | 120.0° |
| H33 | C35 | C36 | H34 | 0.1° | 0.1° |
| H34 | C36 | C37 | H35 | 0.1° | 0.0° |
| H35 | C37 | C38 | H36 | 0.0° | 0.0° |
| H36 | C38 | C39 | H37 | 0.1° | 0.3° |
