4OW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | N14 | sing | 1.47Å | 1.21Å | |
| C13 | N14 | sing | 1.47Å | 1.44Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| N14 | C16 | sing | 1.47Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.44Å | |
| C34 | C32 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| O36 | S31 | doub | 1.42Å | 1.46Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C11 | C17 | sing | 1.53Å | 1.44Å | |
| C11 | C10 | sing | 1.51Å | 1.54Å | |
| C32 | S31 | sing | 1.81Å | 1.81Å | |
| C32 | C35 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| S31 | O37 | doub | 1.42Å | 1.47Å | |
| S31 | N30 | sing | 1.66Å | 1.70Å | |
| C10 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| N30 | C29 | sing | 1.40Å | 1.45Å | |
| C18 | F19 | sing | 1.35Å | 1.36Å | |
| C18 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | N06 | sing | 1.40Å | 1.46Å | |
| CL28 | C27 | sing | 1.74Å | 1.77Å | |
| C29 | C38 | doub | 1.39Å | 1.38Å | Aromatic |
| C29 | C27 | sing | 1.39Å | 1.37Å | Aromatic |
| N06 | C05 | sing | 1.39Å | 1.44Å | |
| C38 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | N21 | doub | 1.32Å | 1.32Å | Aromatic |
| C05 | N04 | sing | 1.32Å | 1.32Å | Aromatic |
| N21 | C22 | sing | 1.33Å | 1.33Å | Aromatic |
| N04 | C03 | doub | 1.32Å | 1.32Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | N23 | sing | 1.40Å | 1.45Å | |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | N23 | sing | 1.39Å | 1.45Å | |
| C22 | C02 | doub | 1.40Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.08Å | 1.08Å | |
| C08 | H14 | sing | 1.08Å | 1.08Å | |
| C09 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.08Å | 1.08Å | |
| N06 | H32 | sing | 0.97Å | 1.00Å | |
| N23 | H34 | sing | 0.97Å | 1.00Å | |
| N30 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N14 | C13 | 109.8° | 111.0° |
| C15 | N14 | C16 | 109.3° | 111.0° |
| N14 | C15 | H3 | 109.5° | 109.5° |
| N14 | C15 | H4 | 109.5° | 109.5° |
| N14 | C15 | H5 | 109.5° | 109.5° |
| N14 | C13 | C12 | 112.3° | 109.5° |
| C13 | N14 | C16 | 113.3° | 111.2° |
| N14 | C13 | H1 | 108.8° | 109.5° |
| N14 | C13 | H2 | 108.7° | 109.5° |
| C13 | C12 | C11 | 111.6° | 109.3° |
| C12 | C13 | H1 | 108.7° | 109.5° |
| C12 | C13 | H2 | 108.8° | 109.4° |
| C13 | C12 | H17 | 108.9° | 109.6° |
| C13 | C12 | H18 | 108.9° | 109.5° |
| N14 | C16 | C17 | 111.1° | 109.5° |
| N14 | C16 | H19 | 109.1° | 109.4° |
| N14 | C16 | H20 | 109.1° | 109.4° |
| C12 | C11 | C17 | 113.2° | 109.1° |
| C12 | C11 | C10 | 107.4° | 109.5° |
| C12 | C11 | H16 | 108.5° | 109.6° |
| C11 | C12 | H17 | 108.9° | 109.5° |
| C11 | C12 | H18 | 109.0° | 109.5° |
| C34 | C32 | C33 | 110.8° | 109.5° |
| C34 | C32 | S31 | 107.8° | 109.5° |
| C34 | C32 | C35 | 110.4° | 109.5° |
| C32 | C34 | H25 | 109.5° | 109.5° |
| C32 | C34 | H26 | 109.5° | 109.5° |
| C32 | C34 | H27 | 109.5° | 109.5° |
| C16 | C17 | C11 | 111.2° | 109.3° |
| C16 | C17 | H6 | 109.0° | 109.5° |
| C16 | C17 | H7 | 109.0° | 109.5° |
| C17 | C16 | H19 | 109.0° | 109.5° |
| C17 | C16 | H20 | 109.0° | 109.5° |
| O36 | S31 | C32 | 109.5° | 110.5° |
| O36 | S31 | O37 | 108.1° | 121.0° |
| O36 | S31 | N30 | 107.6° | 104.3° |
| C33 | C32 | S31 | 107.8° | 109.4° |
| C33 | C32 | C35 | 109.8° | 109.5° |
| C32 | C33 | H22 | 109.5° | 109.5° |
| C32 | C33 | H23 | 109.5° | 109.4° |
| C32 | C33 | H24 | 109.5° | 109.5° |
| C17 | C11 | C10 | 111.8° | 109.5° |
| C11 | C17 | H6 | 109.0° | 109.5° |
| C11 | C17 | H7 | 109.0° | 109.5° |
| C17 | C11 | H16 | 108.4° | 109.5° |
| C11 | C10 | C09 | 121.5° | 120.0° |
| C11 | C10 | C18 | 118.7° | 119.9° |
| C10 | C11 | H16 | 107.3° | 109.6° |
| S31 | C32 | C35 | 110.3° | 109.4° |
| C32 | S31 | O37 | 110.1° | 110.5° |
| C32 | S31 | N30 | 109.2° | 104.5° |
| C32 | C35 | H28 | 109.5° | 109.5° |
| C32 | C35 | H29 | 109.5° | 109.5° |
| C32 | C35 | H30 | 109.5° | 109.5° |
| C10 | C09 | C08 | 118.9° | 120.1° |
| C09 | C10 | C18 | 119.8° | 120.1° |
| C10 | C09 | H15 | 120.5° | 120.0° |
| C09 | C08 | C07 | 120.9° | 120.0° |
| C09 | C08 | H14 | 119.5° | 120.0° |
| C08 | C09 | H15 | 120.6° | 120.0° |
| O37 | S31 | N30 | 112.4° | 104.3° |
| S31 | N30 | C29 | 122.9° | 120.0° |
| S31 | N30 | H35 | 106.0° | 120.0° |
| C10 | C18 | F19 | 118.3° | 120.0° |
| C10 | C18 | C20 | 122.1° | 120.0° |
| C08 | C07 | C20 | 120.6° | 119.8° |
| C08 | C07 | N06 | 115.8° | 120.1° |
| C07 | C08 | H14 | 119.5° | 120.0° |
| N30 | C29 | C38 | 122.4° | 120.1° |
| N30 | C29 | C27 | 118.9° | 120.1° |
| C29 | N30 | H35 | 106.0° | 120.0° |
| F19 | C18 | C20 | 119.6° | 120.0° |
| C18 | C20 | C07 | 117.7° | 120.0° |
| C18 | C20 | H8 | 121.1° | 120.0° |
| C20 | C07 | N06 | 123.6° | 120.1° |
| C07 | C20 | H8 | 121.1° | 120.0° |
| C07 | N06 | C05 | 128.3° | 120.0° |
| C07 | N06 | H32 | 115.9° | 120.0° |
| CL28 | C27 | C29 | 118.1° | 119.9° |
| CL28 | C27 | C26 | 118.7° | 120.0° |
| C38 | C29 | C27 | 118.7° | 119.9° |
| C29 | C38 | C24 | 119.1° | 119.9° |
| C29 | C38 | H31 | 120.4° | 120.0° |
| C29 | C27 | C26 | 123.2° | 120.1° |
| N06 | C05 | N21 | 121.4° | 119.1° |
| N06 | C05 | N04 | 115.8° | 119.2° |
| C05 | N06 | H32 | 115.9° | 120.0° |
| C38 | C24 | C25 | 121.3° | 119.9° |
| C38 | C24 | N23 | 120.9° | 120.1° |
| C24 | C38 | H31 | 120.4° | 120.1° |
| C27 | C26 | C25 | 118.3° | 120.1° |
| C27 | C26 | H9 | 120.9° | 120.0° |
| N21 | C05 | N04 | 122.8° | 121.7° |
| C05 | N21 | C22 | 119.7° | 120.6° |
| C05 | N04 | C03 | 121.3° | 120.9° |
| N21 | C22 | N23 | 122.1° | 120.5° |
| N21 | C22 | C02 | 118.9° | 119.1° |
| N04 | C03 | C02 | 117.7° | 119.3° |
| N04 | C03 | H13 | 121.2° | 120.4° |
| C25 | C24 | N23 | 117.8° | 120.1° |
| C24 | C25 | C26 | 119.4° | 120.1° |
| C24 | C25 | H21 | 120.3° | 119.9° |
| C24 | N23 | C22 | 124.4° | 120.0° |
| C24 | N23 | H34 | 117.8° | 120.0° |
| C25 | C26 | H9 | 120.8° | 119.9° |
| C26 | C25 | H21 | 120.3° | 120.0° |
| N23 | C22 | C02 | 119.0° | 120.5° |
| C22 | N23 | H34 | 117.8° | 120.0° |
| C22 | C02 | C03 | 119.6° | 118.5° |
| C22 | C02 | C01 | 120.7° | 120.8° |
| C03 | C02 | C01 | 119.7° | 120.8° |
| C02 | C03 | H13 | 121.1° | 120.3° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.4° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.4° | 109.5° |
| H3 | C15 | H5 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.4° | 109.4° |
| H6 | C17 | H7 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.5° |
| H10 | C01 | H12 | 109.4° | 109.5° |
| H11 | C01 | H12 | 109.5° | 109.4° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H22 | C33 | H23 | 109.5° | 109.5° |
| H22 | C33 | H24 | 109.5° | 109.5° |
| H23 | C33 | H24 | 109.5° | 109.5° |
| H25 | C34 | H26 | 109.5° | 109.5° |
| H25 | C34 | H27 | 109.4° | 109.4° |
| H26 | C34 | H27 | 109.5° | 109.5° |
| H28 | C35 | H29 | 109.4° | 109.4° |
| H28 | C35 | H30 | 109.5° | 109.5° |
| H29 | C35 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | N14 | C13 | C16 | 122.5° | 124.1° |
| C15 | N14 | C13 | C12 | 174.8° | 174.2° |
| C15 | N14 | C16 | C17 | 176.5° | 174.2° |
| C15 | N14 | C13 | H1 | 64.8° | 65.8° |
| C15 | N14 | C13 | H2 | 54.4° | 54.2° |
| N14 | C15 | H3 | H4 | 120.0° | 120.0° |
| N14 | C15 | H3 | H5 | 120.0° | 120.0° |
| N14 | C15 | H4 | H5 | 120.0° | 120.0° |
| C15 | N14 | C16 | H19 | 56.3° | 54.2° |
| C15 | N14 | C16 | H20 | 63.3° | 65.8° |
| N14 | C13 | C12 | H1 | 120.4° | 120.0° |
| N14 | C13 | C12 | H2 | 120.4° | 120.0° |
| N14 | C13 | C12 | C11 | 50.5° | 59.2° |
| C13 | N14 | C16 | C17 | 53.7° | 61.8° |
| N14 | C13 | H1 | H2 | 118.7° | 120.0° |
| C13 | N14 | C15 | H3 | 180.0° | 60.0° |
| C13 | N14 | C15 | H4 | 60.0° | 180.0° |
| C13 | N14 | C15 | H5 | 60.0° | 60.0° |
| N14 | C13 | C12 | H17 | 69.8° | 60.8° |
| N14 | C13 | C12 | H18 | 170.8° | 179.2° |
| C13 | N14 | C16 | H19 | 66.5° | 178.2° |
| C13 | N14 | C16 | H20 | 173.9° | 58.3° |
| C12 | C13 | N14 | C16 | 52.2° | 61.8° |
| C13 | C12 | C11 | H17 | 120.3° | 120.0° |
| C13 | C12 | C11 | H18 | 120.3° | 120.0° |
| C13 | C12 | C11 | C17 | 52.3° | 57.7° |
| C13 | C12 | C11 | C10 | 176.2° | 177.6° |
| C12 | C13 | H1 | H2 | 118.7° | 120.0° |
| C13 | C12 | C11 | H16 | 68.1° | 62.2° |
| C13 | C12 | H17 | H18 | 119.0° | 120.1° |
| N14 | C16 | C17 | H19 | 120.2° | 120.0° |
| N14 | C16 | C17 | H20 | 120.2° | 120.0° |
| N14 | C16 | C17 | C11 | 53.9° | 59.2° |
| C16 | N14 | C13 | H1 | 172.7° | 58.2° |
| C16 | N14 | C13 | H2 | 68.2° | 178.3° |
| C16 | N14 | C15 | H3 | 55.1° | 175.8° |
| C16 | N14 | C15 | H4 | 64.9° | 55.8° |
| C16 | N14 | C15 | H5 | 175.2° | 64.1° |
| N14 | C16 | C17 | H6 | 174.2° | 60.8° |
| N14 | C16 | C17 | H7 | 66.3° | 179.2° |
| N14 | C16 | H19 | H20 | 119.3° | 119.9° |
| C12 | C11 | C17 | C16 | 54.2° | 57.7° |
| C12 | C11 | C17 | C10 | 121.4° | 119.9° |
| C12 | C11 | C17 | H16 | 120.5° | 119.9° |
| C12 | C11 | C10 | H16 | 116.5° | 120.2° |
| C12 | C11 | C10 | C09 | 54.1° | 59.9° |
| C12 | C11 | C10 | C18 | 125.4° | 120.3° |
| C11 | C12 | C13 | H1 | 170.9° | 60.8° |
| C11 | C12 | C13 | H2 | 69.9° | 179.2° |
| C12 | C11 | C17 | H6 | 174.4° | 62.3° |
| C12 | C11 | C17 | H7 | 66.1° | 177.6° |
| C11 | C12 | H17 | H18 | 119.0° | 120.0° |
| C34 | C32 | S31 | O36 | 57.8° | 68.3° |
| C34 | C32 | C33 | S31 | 117.7° | 120.0° |
| C34 | C32 | C33 | C35 | 122.2° | 120.0° |
| C34 | C32 | S31 | C35 | 120.6° | 120.0° |
| C34 | C32 | S31 | O37 | 60.9° | 68.4° |
| C34 | C32 | S31 | N30 | 175.3° | 180.0° |
| C34 | C32 | C33 | H22 | 180.0° | 180.0° |
| C34 | C32 | C33 | H23 | 60.0° | 60.0° |
| C34 | C32 | C33 | H24 | 60.0° | 60.0° |
| C32 | C34 | H25 | H26 | 120.0° | 120.0° |
| C32 | C34 | H25 | H27 | 120.0° | 120.0° |
| C32 | C34 | H26 | H27 | 120.0° | 120.0° |
| C34 | C32 | C35 | H28 | 180.0° | 60.0° |
| C34 | C32 | C35 | H29 | 60.0° | 60.0° |
| C34 | C32 | C35 | H30 | 60.0° | 180.0° |
| C16 | C17 | C11 | H6 | 120.3° | 120.0° |
| C16 | C17 | C11 | H7 | 120.3° | 120.0° |
| C16 | C17 | C11 | C10 | 175.6° | 177.6° |
| C16 | C17 | H6 | H7 | 119.2° | 120.1° |
| C16 | C17 | C11 | H16 | 66.3° | 62.2° |
| C17 | C16 | H19 | H20 | 119.2° | 120.0° |
| O36 | S31 | C32 | C33 | 61.8° | 51.7° |
| O36 | S31 | C32 | O37 | 118.7° | 136.7° |
| O36 | S31 | C32 | N30 | 117.5° | 111.7° |
| O36 | S31 | C32 | C35 | 178.4° | 171.6° |
| O36 | S31 | O37 | N30 | 118.6° | 116.8° |
| O36 | S31 | N30 | C29 | 162.0° | 50.9° |
| O36 | S31 | N30 | H35 | 76.2° | 129.1° |
| C33 | C32 | S31 | C35 | 119.8° | 120.0° |
| C33 | C32 | S31 | O37 | 179.4° | 171.6° |
| C33 | C32 | S31 | N30 | 55.7° | 60.0° |
| C32 | C33 | H22 | H23 | 120.0° | 120.0° |
| C32 | C33 | H22 | H24 | 120.0° | 120.0° |
| C32 | C33 | H23 | H24 | 120.0° | 120.0° |
| C33 | C32 | C34 | H25 | 180.0° | 60.0° |
| C33 | C32 | C34 | H26 | 60.0° | 60.0° |
| C33 | C32 | C34 | H27 | 60.0° | 180.0° |
| C33 | C32 | C35 | H28 | 57.6° | 180.0° |
| C33 | C32 | C35 | H29 | 177.6° | 60.0° |
| C33 | C32 | C35 | H30 | 62.4° | 60.0° |
| C17 | C11 | C10 | H16 | 118.8° | 120.2° |
| C17 | C11 | C10 | C09 | 70.7° | 59.7° |
| C17 | C11 | C10 | C18 | 109.8° | 120.0° |
| C11 | C17 | H6 | H7 | 119.2° | 120.1° |
| C17 | C11 | C12 | H17 | 68.0° | 62.3° |
| C17 | C11 | C12 | H18 | 172.6° | 177.6° |
| C11 | C17 | C16 | H19 | 66.3° | 179.2° |
| C11 | C17 | C16 | H20 | 174.2° | 60.8° |
| C11 | C10 | C09 | C18 | 179.5° | 179.7° |
| C11 | C10 | C09 | C08 | 179.9° | 179.7° |
| C11 | C10 | C18 | F19 | 1.0° | 0.3° |
| C11 | C10 | C18 | C20 | 179.8° | 179.8° |
| C10 | C11 | C17 | H6 | 64.1° | 57.6° |
| C10 | C11 | C17 | H7 | 55.4° | 62.5° |
| C11 | C10 | C09 | H15 | 0.1° | 0.2° |
| C10 | C11 | C12 | H17 | 55.9° | 57.5° |
| C10 | C11 | C12 | H18 | 63.5° | 62.5° |
| C32 | S31 | O37 | N30 | 121.9° | 111.8° |
| C32 | S31 | N30 | C29 | 79.3° | 65.2° |
| S31 | C32 | C33 | H22 | 62.3° | 60.0° |
| S31 | C32 | C33 | H23 | 177.7° | 180.0° |
| S31 | C32 | C33 | H24 | 57.7° | 60.0° |
| S31 | C32 | C34 | H25 | 62.3° | 60.0° |
| S31 | C32 | C34 | H26 | 57.7° | 180.0° |
| S31 | C32 | C34 | H27 | 177.7° | 60.0° |
| S31 | C32 | C35 | H28 | 61.0° | 60.1° |
| S31 | C32 | C35 | H29 | 59.0° | 180.0° |
| S31 | C32 | C35 | H30 | 179.0° | 60.0° |
| C32 | S31 | N30 | H35 | 42.5° | 114.8° |
| C35 | C32 | S31 | O37 | 59.6° | 51.7° |
| C35 | C32 | S31 | N30 | 64.2° | 60.0° |
| C35 | C32 | C33 | H22 | 57.8° | 60.0° |
| C35 | C32 | C33 | H23 | 62.2° | 60.0° |
| C35 | C32 | C33 | H24 | 177.8° | 180.0° |
| C35 | C32 | C34 | H25 | 58.2° | 180.0° |
| C35 | C32 | C34 | H26 | 178.2° | 60.0° |
| C35 | C32 | C34 | H27 | 61.8° | 60.0° |
| C32 | C35 | H28 | H29 | 120.0° | 120.0° |
| C32 | C35 | H28 | H30 | 120.0° | 120.1° |
| C32 | C35 | H29 | H30 | 120.0° | 120.0° |
| C10 | C09 | C08 | H15 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 0.7° | 0.0° |
| C09 | C10 | C18 | F19 | 179.5° | 180.0° |
| C09 | C10 | C18 | C20 | 0.3° | 0.0° |
| C10 | C09 | C08 | H14 | 179.3° | 180.0° |
| C09 | C10 | C11 | H16 | 170.5° | 179.9° |
| C08 | C09 | C10 | C18 | 0.6° | 0.0° |
| C09 | C08 | C07 | H14 | 180.0° | 180.0° |
| C09 | C08 | C07 | C20 | 0.5° | 0.0° |
| C09 | C08 | C07 | N06 | 179.7° | 180.0° |
| O37 | S31 | N30 | C29 | 43.1° | 178.8° |
| O37 | S31 | N30 | H35 | 164.9° | 1.3° |
| S31 | N30 | C29 | H35 | 121.9° | 180.0° |
| S31 | N30 | C29 | C38 | 40.4° | 35.7° |
| S31 | N30 | C29 | C27 | 140.5° | 143.7° |
| C10 | C18 | F19 | C20 | 179.3° | 180.0° |
| C10 | C18 | C20 | C07 | 0.1° | 0.0° |
| C10 | C18 | C20 | H8 | 179.9° | 180.0° |
| C18 | C10 | C09 | H15 | 179.4° | 180.0° |
| C18 | C10 | C11 | H16 | 9.0° | 0.1° |
| C08 | C07 | C20 | C18 | 0.2° | 0.0° |
| C08 | C07 | C20 | N06 | 179.1° | 180.0° |
| C08 | C07 | N06 | C05 | 165.5° | 37.0° |
| C08 | C07 | C20 | H8 | 179.8° | 180.0° |
| C07 | C08 | C09 | H15 | 179.3° | 180.0° |
| C08 | C07 | N06 | H32 | 14.5° | 143.0° |
| N30 | C29 | C27 | CL28 | 0.9° | 0.2° |
| N30 | C29 | C38 | C27 | 179.1° | 179.4° |
| N30 | C29 | C38 | C24 | 178.8° | 180.0° |
| N30 | C29 | C27 | C26 | 179.7° | 179.7° |
| N30 | C29 | C38 | H31 | 1.2° | 0.0° |
| F19 | C18 | C20 | C07 | 179.3° | 180.0° |
| F19 | C18 | C20 | H8 | 0.7° | 0.0° |
| C18 | C20 | C07 | H8 | 180.0° | 180.0° |
| C18 | C20 | C07 | N06 | 179.3° | 180.0° |
| C20 | C07 | N06 | C05 | 15.4° | 142.9° |
| C20 | C07 | C08 | H14 | 179.5° | 180.0° |
| C20 | C07 | N06 | H32 | 164.6° | 37.0° |
| C07 | N06 | C05 | H32 | 180.0° | 180.0° |
| C07 | N06 | C05 | N21 | 0.2° | 174.0° |
| C07 | N06 | C05 | N04 | 179.7° | 6.6° |
| N06 | C07 | C20 | H8 | 0.7° | 0.0° |
| N06 | C07 | C08 | H14 | 0.3° | 0.0° |
| CL28 | C27 | C29 | C38 | 180.0° | 179.7° |
| CL28 | C27 | C29 | C26 | 179.3° | 179.4° |
| CL28 | C27 | C26 | C25 | 179.9° | 179.9° |
| CL28 | C27 | C26 | H9 | 0.1° | 0.0° |
| C29 | C38 | C24 | H31 | 180.0° | 180.0° |
| C38 | C29 | C27 | C26 | 0.6° | 0.9° |
| C29 | C38 | C24 | C25 | 1.0° | 0.0° |
| C29 | C38 | C24 | N23 | 179.2° | 179.7° |
| C38 | C29 | N30 | H35 | 162.2° | 144.3° |
| C27 | C29 | C38 | C24 | 0.3° | 0.6° |
| C29 | C27 | C26 | C25 | 0.8° | 0.6° |
| C29 | C27 | C26 | H9 | 179.2° | 179.5° |
| C27 | C29 | C38 | H31 | 179.7° | 179.4° |
| C27 | C29 | N30 | H35 | 18.7° | 36.3° |
| N06 | C05 | N21 | N04 | 179.9° | 179.4° |
| N06 | C05 | N21 | C22 | 179.0° | 180.0° |
| N06 | C05 | N04 | C03 | 179.9° | 179.7° |
| C38 | C24 | C25 | N23 | 178.2° | 179.7° |
| C38 | C24 | C25 | C26 | 0.9° | 0.3° |
| C38 | C24 | N23 | C22 | 20.9° | 145.0° |
| C38 | C24 | C25 | H21 | 179.1° | 179.7° |
| C38 | C24 | N23 | H34 | 159.1° | 35.0° |
| C27 | C26 | C25 | C24 | 0.0° | 0.0° |
| C27 | C26 | C25 | H9 | 180.0° | 179.9° |
| C27 | C26 | C25 | H21 | 180.0° | 180.0° |
| N21 | C05 | N04 | C03 | 0.0° | 0.2° |
| C05 | N21 | C22 | N23 | 179.5° | 179.7° |
| C05 | N21 | C22 | C02 | 2.1° | 0.5° |
| N21 | C05 | N06 | H32 | 179.8° | 6.1° |
| N04 | C05 | N21 | C22 | 1.1° | 0.5° |
| C05 | N04 | C03 | C02 | 0.1° | 0.0° |
| C05 | N04 | C03 | H13 | 179.9° | 180.0° |
| N04 | C05 | N06 | H32 | 0.3° | 173.4° |
| N21 | C22 | N23 | C24 | 12.4° | 3.8° |
| N21 | C22 | N23 | C02 | 178.4° | 179.8° |
| N21 | C22 | C02 | C03 | 2.0° | 0.2° |
| N21 | C22 | C02 | C01 | 179.5° | 179.7° |
| N21 | C22 | N23 | H34 | 167.6° | 176.2° |
| N04 | C03 | C02 | C22 | 0.9° | 0.0° |
| N04 | C03 | C02 | H13 | 180.0° | 179.9° |
| N04 | C03 | C02 | C01 | 179.4° | 180.0° |
| C24 | C25 | C26 | H21 | 180.0° | 180.0° |
| C25 | C24 | N23 | C22 | 160.9° | 35.3° |
| C24 | C25 | C26 | H9 | 180.0° | 180.0° |
| C25 | C24 | C38 | H31 | 179.0° | 180.0° |
| C25 | C24 | N23 | H34 | 19.1° | 144.7° |
| N23 | C24 | C25 | C26 | 179.1° | 180.0° |
| C24 | N23 | C22 | H34 | 180.0° | 180.0° |
| C24 | N23 | C22 | C02 | 169.2° | 176.0° |
| N23 | C24 | C25 | H21 | 0.9° | 0.0° |
| N23 | C24 | C38 | H31 | 0.8° | 0.3° |
| N23 | C22 | C02 | C03 | 179.6° | 180.0° |
| N23 | C22 | C02 | C01 | 1.1° | 0.1° |
| C22 | C02 | C03 | C01 | 178.5° | 179.9° |
| C22 | C02 | C01 | H10 | 90.8° | 90.0° |
| C22 | C02 | C01 | H11 | 149.2° | 150.0° |
| C22 | C02 | C01 | H12 | 29.2° | 30.1° |
| C22 | C02 | C03 | H13 | 179.1° | 180.0° |
| C02 | C22 | N23 | H34 | 10.8° | 4.0° |
| C03 | C02 | C01 | H10 | 90.8° | 89.9° |
| C03 | C02 | C01 | H11 | 29.3° | 30.1° |
| C03 | C02 | C01 | H12 | 149.2° | 150.0° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H12 | 120.0° | 120.1° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C01 | C02 | C03 | H13 | 0.6° | 0.1° |
| H1 | C13 | C12 | H17 | 50.6° | 179.2° |
| H1 | C13 | C12 | H18 | 68.7° | 59.2° |
| H2 | C13 | C12 | H17 | 169.8° | 59.2° |
| H2 | C13 | C12 | H18 | 50.4° | 60.9° |
| H3 | C15 | H4 | H5 | 119.9° | 120.0° |
| H6 | C17 | C11 | H16 | 54.0° | 177.8° |
| H6 | C17 | C16 | H19 | 53.9° | 59.2° |
| H6 | C17 | C16 | H20 | 65.6° | 179.2° |
| H7 | C17 | C11 | H16 | 173.5° | 57.7° |
| H7 | C17 | C16 | H19 | 173.4° | 60.9° |
| H7 | C17 | C16 | H20 | 53.9° | 59.2° |
| H9 | C26 | C25 | H21 | 0.0° | 0.1° |
| H10 | C01 | H11 | H12 | 120.0° | 120.0° |
| H14 | C08 | C09 | H15 | 0.7° | 0.0° |
| H16 | C11 | C12 | H17 | 171.6° | 177.8° |
| H16 | C11 | C12 | H18 | 52.2° | 57.7° |
| H22 | C33 | H23 | H24 | 120.0° | 120.0° |
| H25 | C34 | H26 | H27 | 120.0° | 119.9° |
| H28 | C35 | H29 | H30 | 120.0° | 120.0° |
