O5S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.51Å | 1.55Å | |
| O04 | C03 | doub | 1.21Å | 1.18Å | |
| C03 | N05 | sing | 1.35Å | 1.46Å | |
| N05 | C06 | sing | 1.47Å | 1.49Å | |
| N05 | C08 | sing | 1.47Å | 1.50Å | |
| C06 | C07 | sing | 1.54Å | 1.49Å | |
| C08 | C07 | sing | 1.54Å | 1.49Å | |
| C07 | N09 | sing | 1.46Å | 1.47Å | |
| N09 | C10 | sing | 1.35Å | 1.46Å | |
| C39 | C38 | sing | 1.51Å | 1.54Å | |
| C10 | O11 | doub | 1.21Å | 1.19Å | |
| C10 | C12 | sing | 1.51Å | 1.56Å | |
| C12 | N13 | sing | 1.46Å | 1.47Å | |
| C38 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | C40 | sing | 1.39Å | 1.45Å | Aromatic |
| C37 | C35 | sing | 1.39Å | 1.41Å | Aromatic |
| N13 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| N13 | C14 | sing | 1.36Å | 1.35Å | Aromatic |
| C40 | C33 | doub | 1.40Å | 1.37Å | Aromatic |
| C35 | CL36 | sing | 1.74Å | 1.77Å | |
| C35 | C34 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.51Å | 1.55Å | |
| C14 | C18 | doub | 1.36Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.39Å | 1.43Å | Aromatic |
| C33 | C18 | sing | 1.47Å | 1.44Å | Aromatic |
| C15 | C17 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.47Å | 1.57Å | |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.44Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | C31 | sing | 1.50Å | 1.54Å | |
| C32 | N21 | sing | 1.47Å | 1.44Å | |
| C31 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | N21 | sing | 1.35Å | 1.48Å | |
| C19 | O20 | doub | 1.22Å | 1.19Å | |
| N21 | C22 | sing | 1.47Å | 1.46Å | |
| C24 | C25 | sing | 1.39Å | 1.44Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.57Å | |
| C25 | O26 | sing | 1.36Å | 1.42Å | |
| C22 | C23 | sing | 1.53Å | 1.56Å | |
| O26 | C27 | sing | 1.43Å | 1.42Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| N09 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | 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 | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.08Å | 1.08Å | |
| C37 | H32 | sing | 1.08Å | 1.08Å | |
| C39 | H33 | sing | 1.09Å | 1.10Å | |
| C39 | H34 | sing | 1.09Å | 1.10Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 112.7° | 109.4° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.7° | 109.5° |
| C01 | C02 | H5 | 108.7° | 109.5° |
| C02 | C03 | O04 | 121.4° | 120.1° |
| C02 | C03 | N05 | 119.1° | 120.0° |
| C03 | C02 | H4 | 108.7° | 109.4° |
| C03 | C02 | H5 | 108.6° | 109.5° |
| O04 | C03 | N05 | 119.5° | 120.0° |
| C03 | N05 | C06 | 133.8° | 136.0° |
| C03 | N05 | C08 | 135.7° | 136.1° |
| C06 | N05 | C08 | 90.6° | 87.9° |
| N05 | C06 | C07 | 89.2° | 88.0° |
| N05 | C06 | H6 | 114.3° | 113.4° |
| N05 | C06 | H7 | 114.3° | 113.5° |
| N05 | C08 | C07 | 88.9° | 87.9° |
| N05 | C08 | H9 | 114.3° | 113.5° |
| N05 | C08 | H10 | 114.3° | 113.4° |
| C06 | C07 | C08 | 91.2° | 83.2° |
| C06 | C07 | N09 | 107.1° | 114.2° |
| C07 | C06 | H6 | 114.3° | 113.4° |
| C07 | C06 | H7 | 114.3° | 113.5° |
| C06 | C07 | H8 | 114.1° | 114.2° |
| C08 | C07 | N09 | 113.8° | 114.1° |
| C08 | C07 | H8 | 114.0° | 114.6° |
| C07 | C08 | H9 | 114.4° | 113.5° |
| C07 | C08 | H10 | 114.3° | 113.5° |
| C07 | N09 | C10 | 120.6° | 120.0° |
| N09 | C07 | H8 | 114.3° | 113.3° |
| C07 | N09 | H11 | 119.7° | 120.0° |
| N09 | C10 | O11 | 119.6° | 120.0° |
| N09 | C10 | C12 | 119.0° | 120.0° |
| C10 | N09 | H11 | 119.7° | 119.9° |
| C39 | C38 | C37 | 118.5° | 120.0° |
| C39 | C38 | C40 | 122.8° | 120.1° |
| C38 | C39 | H33 | 109.5° | 109.5° |
| C38 | C39 | H34 | 109.4° | 109.4° |
| C38 | C39 | H35 | 109.5° | 109.5° |
| O11 | C10 | C12 | 121.4° | 120.0° |
| C10 | C12 | N13 | 106.3° | 109.5° |
| C10 | C12 | H12 | 110.3° | 109.4° |
| C10 | C12 | H13 | 110.2° | 109.5° |
| C12 | N13 | C40 | 124.6° | 124.8° |
| C12 | N13 | C14 | 124.4° | 124.8° |
| N13 | C12 | H12 | 110.2° | 109.5° |
| N13 | C12 | H13 | 110.2° | 109.5° |
| C37 | C38 | C40 | 118.7° | 119.9° |
| C38 | C37 | C35 | 120.2° | 120.6° |
| C38 | C37 | H32 | 119.9° | 119.7° |
| C38 | C40 | N13 | 132.3° | 133.1° |
| C38 | C40 | C33 | 120.0° | 119.4° |
| C37 | C35 | CL36 | 119.5° | 119.9° |
| C37 | C35 | C34 | 121.5° | 120.3° |
| C35 | C37 | H32 | 119.9° | 119.7° |
| C40 | N13 | C14 | 111.0° | 110.4° |
| N13 | C40 | C33 | 107.6° | 107.5° |
| N13 | C14 | C15 | 127.5° | 125.1° |
| N13 | C14 | C18 | 107.2° | 109.7° |
| C40 | C33 | C34 | 121.7° | 120.1° |
| C40 | C33 | C18 | 106.8° | 105.9° |
| CL36 | C35 | C34 | 119.0° | 119.9° |
| C35 | C34 | C33 | 117.8° | 119.7° |
| C35 | C34 | H31 | 121.1° | 120.2° |
| C15 | C16 | C17 | 60.2° | 60.0° |
| C16 | C15 | C14 | 114.7° | 117.5° |
| C16 | C15 | C17 | 59.6° | 60.0° |
| C16 | C15 | H14 | 110.0° | 117.5° |
| C15 | C16 | H15 | 120.0° | 117.5° |
| C15 | C16 | H16 | 120.0° | 117.5° |
| C16 | C17 | C15 | 60.2° | 60.0° |
| C17 | C16 | H15 | 120.0° | 117.5° |
| C17 | C16 | H16 | 120.0° | 117.5° |
| C16 | C17 | H17 | 120.0° | 117.5° |
| C16 | C17 | H18 | 119.9° | 117.5° |
| C15 | C14 | C18 | 125.3° | 125.2° |
| C14 | C15 | C17 | 138.9° | 117.5° |
| C14 | C15 | H14 | 109.8° | 115.6° |
| C14 | C18 | C33 | 107.4° | 106.5° |
| C14 | C18 | C19 | 127.9° | 126.7° |
| C34 | C33 | C18 | 131.5° | 134.0° |
| C33 | C34 | H31 | 121.1° | 120.2° |
| C33 | C18 | C19 | 124.6° | 126.8° |
| C17 | C15 | H14 | 109.9° | 117.5° |
| C15 | C17 | H17 | 120.0° | 117.5° |
| C15 | C17 | H18 | 119.9° | 117.5° |
| C18 | C19 | N21 | 119.0° | 120.0° |
| C18 | C19 | O20 | 119.8° | 120.0° |
| C29 | C30 | C31 | 119.8° | 120.6° |
| C30 | C29 | C28 | 120.1° | 119.8° |
| C30 | C29 | H27 | 119.9° | 120.1° |
| C29 | C30 | H28 | 120.1° | 119.7° |
| C30 | C31 | C32 | 119.6° | 117.8° |
| C30 | C31 | C24 | 120.0° | 119.9° |
| C31 | C30 | H28 | 120.1° | 119.7° |
| C29 | C28 | C25 | 120.5° | 119.8° |
| C29 | C28 | H26 | 119.7° | 120.1° |
| C28 | C29 | H27 | 120.0° | 120.1° |
| C31 | C32 | N21 | 109.7° | 109.9° |
| C32 | C31 | C24 | 120.3° | 122.3° |
| C31 | C32 | H29 | 109.4° | 109.5° |
| C31 | C32 | H30 | 109.4° | 109.4° |
| C32 | N21 | C19 | 123.1° | 121.4° |
| C32 | N21 | C22 | 115.0° | 117.4° |
| N21 | C32 | H29 | 109.4° | 109.4° |
| N21 | C32 | H30 | 109.4° | 109.2° |
| C31 | C24 | C25 | 120.1° | 119.5° |
| C31 | C24 | C23 | 122.4° | 122.8° |
| C28 | C25 | C24 | 119.4° | 120.4° |
| C28 | C25 | O26 | 121.7° | 119.8° |
| C25 | C28 | H26 | 119.7° | 120.1° |
| N21 | C19 | O20 | 121.1° | 120.1° |
| C19 | N21 | C22 | 121.8° | 121.3° |
| N21 | C22 | C23 | 107.3° | 107.9° |
| N21 | C22 | H19 | 110.0° | 109.8° |
| N21 | C22 | H20 | 110.0° | 109.8° |
| C25 | C24 | C23 | 117.4° | 117.7° |
| C24 | C25 | O26 | 118.9° | 119.8° |
| C24 | C23 | C22 | 111.0° | 110.9° |
| C24 | C23 | H21 | 109.1° | 109.2° |
| C24 | C23 | H22 | 109.1° | 109.1° |
| C25 | O26 | C27 | 117.2° | 117.0° |
| C23 | C22 | H19 | 110.0° | 109.8° |
| C23 | C22 | H20 | 110.0° | 109.8° |
| C22 | C23 | H21 | 109.1° | 109.2° |
| C22 | C23 | H22 | 109.1° | 109.2° |
| O26 | C27 | H23 | 109.5° | 109.5° |
| O26 | C27 | H24 | 109.5° | 109.5° |
| O26 | C27 | H25 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C06 | H7 | 109.5° | 112.8° |
| H9 | C08 | H10 | 109.5° | 112.7° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.4° | 115.6° |
| H17 | C17 | H18 | 109.5° | 115.6° |
| H19 | C22 | H20 | 109.5° | 109.8° |
| H21 | C23 | H22 | 109.5° | 109.2° |
| H23 | C27 | H24 | 109.4° | 109.5° |
| H23 | C27 | H25 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.4° |
| H29 | C32 | H30 | 109.5° | 109.4° |
| H33 | C39 | H34 | 109.4° | 109.4° |
| H33 | C39 | H35 | 109.4° | 109.5° |
| H34 | C39 | H35 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H4 | 120.5° | 119.9° |
| C01 | C02 | C03 | H5 | 120.5° | 120.0° |
| C01 | C02 | C03 | O04 | 84.0° | 0.1° |
| C01 | C02 | C03 | N05 | 95.9° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.1° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 118.5° | 120.0° |
| C02 | C03 | O04 | N05 | 179.9° | 179.9° |
| C02 | C03 | N05 | C06 | 0.7° | 180.0° |
| C02 | C03 | N05 | C08 | 180.0° | 0.5° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.1° |
| C03 | C02 | C01 | H3 | 60.0° | 180.0° |
| C03 | C02 | H4 | H5 | 118.5° | 120.1° |
| O04 | C03 | N05 | C06 | 179.2° | 0.1° |
| O04 | C03 | N05 | C08 | 0.0° | 179.6° |
| O04 | C03 | C02 | H4 | 155.5° | 120.0° |
| O04 | C03 | C02 | H5 | 36.4° | 119.9° |
| C03 | N05 | C06 | C08 | 179.5° | 179.6° |
| C03 | N05 | C06 | C07 | 176.2° | 153.0° |
| C03 | N05 | C08 | C07 | 176.2° | 153.0° |
| N05 | C03 | C02 | H4 | 24.6° | 60.1° |
| N05 | C03 | C02 | H5 | 143.6° | 60.0° |
| C03 | N05 | C06 | H6 | 59.8° | 38.2° |
| C03 | N05 | C06 | H7 | 67.4° | 92.2° |
| C03 | N05 | C08 | H9 | 67.4° | 92.2° |
| C03 | N05 | C08 | H10 | 59.9° | 38.2° |
| N05 | C06 | C07 | H6 | 116.4° | 114.7° |
| N05 | C06 | C07 | H7 | 116.4° | 114.8° |
| C06 | N05 | C08 | C07 | 3.3° | 27.3° |
| N05 | C06 | C07 | N09 | 118.7° | 139.7° |
| N05 | C06 | H6 | H7 | 129.6° | 130.8° |
| N05 | C06 | C07 | H8 | 113.8° | 87.7° |
| C06 | N05 | C08 | H9 | 113.1° | 87.5° |
| C06 | N05 | C08 | H10 | 119.6° | 142.2° |
| N05 | C08 | C07 | H9 | 116.3° | 114.8° |
| N05 | C08 | C07 | H10 | 116.3° | 114.7° |
| N05 | C08 | C07 | N09 | 112.6° | 139.8° |
| C08 | N05 | C06 | H6 | 119.7° | 142.1° |
| C08 | N05 | C06 | H7 | 113.2° | 87.4° |
| N05 | C08 | C07 | H8 | 113.8° | 87.3° |
| N05 | C08 | H9 | H10 | 129.8° | 130.7° |
| C06 | C07 | C08 | N09 | 109.3° | 113.5° |
| C06 | C07 | C08 | H8 | 117.1° | 113.6° |
| C06 | C07 | N09 | H8 | 127.4° | 133.1° |
| C06 | C07 | N09 | C10 | 167.4° | 155.0° |
| C07 | C06 | H6 | H7 | 129.6° | 130.8° |
| C06 | C07 | C08 | H9 | 113.1° | 88.5° |
| C06 | C07 | C08 | H10 | 119.6° | 141.0° |
| C06 | C07 | N09 | H11 | 12.6° | 25.0° |
| C08 | C07 | N09 | H8 | 133.4° | 133.5° |
| C08 | C07 | N09 | C10 | 93.5° | 111.6° |
| C08 | C07 | C06 | H6 | 119.7° | 141.0° |
| C08 | C07 | C06 | H7 | 113.1° | 88.5° |
| C07 | C08 | H9 | H10 | 129.8° | 130.9° |
| C08 | C07 | N09 | H11 | 86.6° | 68.4° |
| C07 | N09 | C10 | H11 | 180.0° | 180.0° |
| C07 | N09 | C10 | O11 | 1.0° | 0.0° |
| C07 | N09 | C10 | C12 | 179.4° | 180.0° |
| N09 | C07 | C06 | H6 | 124.9° | 105.6° |
| N09 | C07 | C06 | H7 | 2.2° | 24.9° |
| N09 | C07 | C08 | H9 | 3.8° | 25.0° |
| N09 | C07 | C08 | H10 | 131.1° | 105.5° |
| N09 | C10 | O11 | C12 | 179.6° | 179.9° |
| N09 | C10 | C12 | N13 | 176.1° | 180.0° |
| C10 | N09 | C07 | H8 | 40.0° | 21.9° |
| N09 | C10 | C12 | H12 | 64.4° | 60.1° |
| N09 | C10 | C12 | H13 | 56.6° | 59.9° |
| C39 | C38 | C37 | C40 | 179.8° | 179.8° |
| C39 | C38 | C37 | C35 | 179.8° | 180.0° |
| C39 | C38 | C40 | N13 | 0.3° | 0.6° |
| C39 | C38 | C40 | C33 | 179.8° | 179.7° |
| C39 | C38 | C37 | H32 | 0.2° | 0.0° |
| C38 | C39 | H33 | H34 | 120.0° | 120.0° |
| C38 | C39 | H33 | H35 | 120.0° | 120.1° |
| C38 | C39 | H34 | H35 | 120.0° | 120.0° |
| O11 | C10 | C12 | N13 | 3.5° | 0.0° |
| O11 | C10 | N09 | H11 | 179.0° | 180.0° |
| O11 | C10 | C12 | H12 | 116.0° | 120.0° |
| O11 | C10 | C12 | H13 | 123.0° | 120.0° |
| C10 | C12 | N13 | H12 | 119.5° | 119.9° |
| C10 | C12 | N13 | H13 | 119.5° | 120.0° |
| C10 | C12 | N13 | C40 | 84.0° | 88.0° |
| C10 | C12 | N13 | C14 | 94.8° | 92.2° |
| C12 | C10 | N09 | H11 | 0.6° | 0.1° |
| C10 | C12 | H12 | H13 | 121.4° | 120.0° |
| C12 | N13 | C40 | C38 | 0.6° | 0.6° |
| C12 | N13 | C40 | C14 | 178.9° | 179.8° |
| C12 | N13 | C40 | C33 | 179.0° | 179.9° |
| C12 | N13 | C14 | C15 | 0.6° | 0.0° |
| C12 | N13 | C14 | C18 | 179.2° | 180.0° |
| N13 | C12 | H12 | H13 | 121.4° | 120.0° |
| C38 | C37 | C35 | H32 | 180.0° | 180.0° |
| C37 | C38 | C40 | N13 | 180.0° | 179.7° |
| C37 | C38 | C40 | C33 | 0.5° | 0.5° |
| C38 | C37 | C35 | CL36 | 179.2° | 180.0° |
| C38 | C37 | C35 | C34 | 0.1° | 0.0° |
| C37 | C38 | C39 | H33 | 89.9° | 95.7° |
| C37 | C38 | C39 | H34 | 150.1° | 144.3° |
| C37 | C38 | C39 | H35 | 30.1° | 24.3° |
| C40 | C38 | C37 | C35 | 0.1° | 0.2° |
| C38 | C40 | N13 | C33 | 179.6° | 179.2° |
| C38 | C40 | N13 | C14 | 179.5° | 179.6° |
| C38 | C40 | C33 | C34 | 0.7° | 0.5° |
| C38 | C40 | C33 | C18 | 179.9° | 179.7° |
| C40 | C38 | C37 | H32 | 179.9° | 179.8° |
| C40 | C38 | C39 | H33 | 89.8° | 84.0° |
| C40 | C38 | C39 | H34 | 30.1° | 35.9° |
| C40 | C38 | C39 | H35 | 150.2° | 155.9° |
| C37 | C35 | CL36 | C34 | 179.1° | 179.9° |
| C37 | C35 | C34 | C33 | 0.1° | 0.0° |
| C37 | C35 | C34 | H31 | 179.9° | 180.0° |
| C40 | N13 | C14 | C15 | 179.6° | 179.8° |
| C40 | N13 | C14 | C18 | 0.3° | 0.2° |
| N13 | C40 | C33 | C34 | 179.7° | 179.8° |
| N13 | C40 | C33 | C18 | 0.3° | 0.3° |
| C40 | N13 | C12 | H12 | 156.4° | 152.0° |
| C40 | N13 | C12 | H13 | 35.5° | 32.0° |
| C14 | N13 | C40 | C33 | 0.0° | 0.3° |
| N13 | C14 | C15 | C16 | 75.4° | 164.7° |
| N13 | C14 | C15 | C18 | 179.9° | 180.0° |
| N13 | C14 | C18 | C33 | 0.5° | 0.0° |
| N13 | C14 | C15 | C17 | 146.7° | 126.7° |
| N13 | C14 | C18 | C19 | 179.5° | 180.0° |
| C14 | N13 | C12 | H12 | 24.8° | 27.7° |
| C14 | N13 | C12 | H13 | 145.7° | 147.7° |
| N13 | C14 | C15 | H14 | 49.0° | 18.9° |
| C40 | C33 | C34 | C35 | 0.5° | 0.2° |
| C40 | C33 | C18 | C14 | 0.4° | 0.2° |
| C40 | C33 | C34 | C18 | 179.2° | 179.8° |
| C40 | C33 | C18 | C19 | 179.5° | 179.8° |
| C40 | C33 | C34 | H31 | 179.5° | 179.8° |
| CL36 | C35 | C34 | C33 | 179.0° | 180.0° |
| CL36 | C35 | C34 | H31 | 1.0° | 0.0° |
| CL36 | C35 | C37 | H32 | 0.8° | 0.0° |
| C35 | C34 | C33 | H31 | 180.0° | 180.0° |
| C35 | C34 | C33 | C18 | 179.8° | 180.0° |
| C34 | C35 | C37 | H32 | 179.9° | 180.0° |
| C15 | C16 | C17 | H15 | 109.5° | 107.5° |
| C15 | C16 | C17 | H16 | 109.5° | 107.5° |
| C16 | C15 | C14 | C17 | 71.3° | 68.6° |
| C16 | C15 | C14 | H14 | 124.4° | 145.8° |
| C16 | C15 | C14 | C18 | 104.5° | 15.3° |
| C16 | C15 | C17 | H14 | 102.0° | 107.5° |
| C15 | C16 | H15 | H16 | 144.7° | 145.6° |
| C15 | C16 | C17 | H17 | 109.6° | 107.5° |
| C15 | C16 | C17 | H18 | 109.5° | 107.5° |
| C17 | C16 | H15 | H16 | 144.6° | 145.7° |
| C16 | C17 | H17 | H18 | 144.6° | 145.7° |
| C15 | C14 | C18 | C33 | 179.4° | 180.0° |
| C14 | C15 | C17 | H14 | 164.3° | 145.0° |
| C15 | C14 | C18 | C19 | 0.6° | 0.0° |
| C14 | C15 | C16 | H15 | 24.2° | 0.1° |
| C14 | C15 | C16 | H16 | 116.7° | 145.0° |
| C14 | C15 | C17 | H17 | 15.8° | 145.1° |
| C14 | C15 | C17 | H18 | 156.8° | 0.0° |
| C14 | C18 | C33 | C34 | 179.8° | 180.0° |
| C14 | C18 | C33 | C19 | 179.9° | 180.0° |
| C18 | C14 | C15 | C17 | 33.2° | 53.3° |
| C14 | C18 | C19 | N21 | 108.8° | 90.0° |
| C14 | C18 | C19 | O20 | 73.5° | 90.0° |
| C18 | C14 | C15 | H14 | 131.1° | 161.1° |
| C34 | C33 | C18 | C19 | 0.2° | 0.0° |
| C33 | C18 | C19 | N21 | 71.2° | 90.0° |
| C33 | C18 | C19 | O20 | 106.4° | 90.0° |
| C18 | C33 | C34 | H31 | 0.3° | 0.0° |
| C15 | C17 | H17 | H18 | 144.6° | 145.7° |
| C18 | C19 | N21 | C32 | 3.3° | 0.2° |
| C18 | C19 | N21 | O20 | 177.6° | 179.9° |
| C18 | C19 | N21 | C22 | 179.1° | 180.0° |
| C29 | C30 | C31 | H28 | 180.0° | 179.9° |
| C30 | C29 | C28 | H27 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 179.9° | 179.1° |
| C29 | C30 | C31 | C24 | 0.3° | 0.5° |
| C30 | C29 | C28 | C25 | 0.5° | 0.3° |
| C30 | C29 | C28 | H26 | 179.5° | 179.7° |
| C31 | C30 | C29 | C28 | 0.2° | 0.1° |
| C30 | C31 | C32 | C24 | 179.8° | 179.6° |
| C30 | C31 | C32 | N21 | 160.9° | 169.2° |
| C30 | C31 | C24 | C25 | 0.7° | 0.6° |
| C30 | C31 | C24 | C23 | 179.5° | 179.0° |
| C31 | C30 | C29 | H27 | 179.8° | 179.9° |
| C30 | C31 | C32 | H29 | 40.9° | 48.9° |
| C30 | C31 | C32 | H30 | 79.0° | 70.9° |
| C29 | C28 | C25 | H26 | 180.0° | 179.9° |
| C29 | C28 | C25 | C24 | 0.9° | 0.2° |
| C29 | C28 | C25 | O26 | 180.0° | 179.8° |
| C28 | C29 | C30 | H28 | 179.8° | 179.8° |
| C31 | C32 | N21 | H29 | 120.0° | 120.3° |
| C31 | C32 | N21 | H30 | 120.0° | 120.1° |
| C31 | C32 | N21 | C19 | 120.0° | 135.7° |
| C31 | C32 | N21 | C22 | 56.0° | 44.0° |
| C32 | C31 | C24 | C25 | 179.4° | 178.9° |
| C32 | C31 | C24 | C23 | 0.6° | 1.4° |
| C32 | C31 | C30 | H28 | 0.2° | 1.0° |
| C31 | C32 | H29 | H30 | 119.9° | 119.9° |
| N21 | C32 | C31 | C24 | 18.9° | 11.3° |
| C32 | N21 | C19 | C22 | 175.7° | 179.7° |
| C32 | N21 | C19 | O20 | 179.0° | 179.7° |
| C32 | N21 | C22 | C23 | 69.5° | 63.9° |
| C32 | N21 | C22 | H19 | 170.9° | 55.7° |
| C32 | N21 | C22 | H20 | 50.2° | 176.5° |
| N21 | C32 | H29 | H30 | 119.9° | 119.6° |
| C31 | C24 | C25 | C28 | 1.1° | 0.3° |
| C31 | C24 | C25 | C23 | 178.9° | 179.7° |
| C31 | C24 | C25 | O26 | 179.9° | 179.7° |
| C31 | C24 | C23 | C22 | 12.0° | 20.3° |
| C31 | C24 | C23 | H21 | 132.2° | 140.7° |
| C31 | C24 | C23 | H22 | 108.2° | 100.0° |
| C24 | C31 | C30 | H28 | 179.7° | 179.4° |
| C24 | C31 | C32 | H29 | 138.9° | 131.5° |
| C24 | C31 | C32 | H30 | 101.1° | 108.6° |
| C28 | C25 | C24 | O26 | 179.1° | 180.0° |
| C28 | C25 | C24 | C23 | 179.9° | 179.4° |
| C28 | C25 | O26 | C27 | 30.1° | 0.0° |
| C25 | C28 | C29 | H27 | 179.5° | 179.8° |
| C19 | N21 | C22 | C23 | 106.6° | 115.9° |
| C19 | N21 | C22 | H19 | 13.1° | 124.5° |
| C19 | N21 | C22 | H20 | 133.8° | 3.8° |
| C19 | N21 | C32 | H29 | 0.0° | 15.5° |
| C19 | N21 | C32 | H30 | 120.0° | 104.2° |
| O20 | C19 | N21 | C22 | 3.3° | 0.0° |
| N21 | C22 | C23 | C24 | 42.9° | 47.5° |
| N21 | C22 | C23 | H19 | 119.7° | 119.6° |
| N21 | C22 | C23 | H20 | 119.6° | 119.6° |
| N21 | C22 | H19 | H20 | 121.0° | 120.8° |
| N21 | C22 | C23 | H21 | 163.1° | 167.8° |
| N21 | C22 | C23 | H22 | 77.4° | 72.8° |
| C22 | N21 | C32 | H29 | 176.0° | 164.3° |
| C22 | N21 | C32 | H30 | 64.0° | 76.0° |
| C25 | C24 | C23 | C22 | 166.8° | 160.1° |
| C24 | C25 | O26 | C27 | 150.9° | 180.0° |
| C25 | C24 | C23 | H21 | 46.6° | 39.7° |
| C25 | C24 | C23 | H22 | 72.9° | 79.6° |
| C24 | C25 | C28 | H26 | 179.1° | 179.8° |
| C23 | C24 | C25 | O26 | 1.0° | 0.6° |
| C24 | C23 | C22 | H21 | 120.2° | 120.3° |
| C24 | C23 | C22 | H22 | 120.2° | 120.3° |
| C24 | C23 | C22 | H19 | 162.5° | 72.1° |
| C24 | C23 | C22 | H20 | 76.8° | 167.1° |
| C24 | C23 | H21 | H22 | 119.3° | 119.3° |
| C25 | O26 | C27 | H23 | 180.0° | 180.0° |
| C25 | O26 | C27 | H24 | 60.0° | 60.0° |
| C25 | O26 | C27 | H25 | 60.0° | 60.0° |
| O26 | C25 | C28 | H26 | 0.0° | 0.2° |
| C23 | C22 | H19 | H20 | 121.0° | 120.8° |
| C22 | C23 | H21 | H22 | 119.3° | 119.3° |
| O26 | C27 | H23 | H24 | 120.0° | 120.0° |
| O26 | C27 | H23 | H25 | 120.0° | 120.1° |
| O26 | C27 | H24 | H25 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H1 | C01 | C02 | H4 | 59.5° | 59.9° |
| H1 | C01 | C02 | H5 | 59.6° | 180.0° |
| H2 | C01 | C02 | H4 | 60.5° | 180.0° |
| H2 | C01 | C02 | H5 | 179.5° | 59.9° |
| H3 | C01 | C02 | H4 | 179.5° | 60.1° |
| H3 | C01 | C02 | H5 | 60.5° | 60.0° |
| H6 | C06 | C07 | H8 | 2.6° | 27.0° |
| H7 | C06 | C07 | H8 | 129.8° | 157.5° |
| H8 | C07 | C08 | H9 | 129.8° | 157.9° |
| H8 | C07 | C08 | H10 | 2.5° | 27.4° |
| H8 | C07 | N09 | H11 | 140.0° | 158.1° |
| H14 | C15 | C16 | H15 | 148.5° | 145.1° |
| H14 | C15 | C16 | H16 | 7.5° | 0.1° |
| H14 | C15 | C17 | H17 | 148.5° | 0.1° |
| H14 | C15 | C17 | H18 | 7.5° | 145.0° |
| H15 | C16 | C17 | H17 | 0.0° | 145.0° |
| H15 | C16 | C17 | H18 | 141.0° | 0.0° |
| H16 | C16 | C17 | H17 | 140.9° | 0.0° |
| H16 | C16 | C17 | H18 | 0.0° | 145.1° |
| H19 | C22 | C23 | H21 | 77.2° | 48.3° |
| H19 | C22 | C23 | H22 | 42.3° | 167.6° |
| H20 | C22 | C23 | H21 | 43.5° | 72.5° |
| H20 | C22 | C23 | H22 | 163.0° | 46.8° |
| H23 | C27 | H24 | H25 | 120.0° | 120.0° |
| H26 | C28 | C29 | H27 | 0.5° | 0.3° |
| H27 | C29 | C30 | H28 | 0.2° | 0.2° |
| H33 | C39 | H34 | H35 | 120.0° | 120.0° |
