PKH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.56Å | 1.54Å | |
| C16 | C17 | sing | 1.55Å | 1.54Å | |
| C15 | C20 | sing | 1.56Å | 1.55Å | |
| C15 | N14 | sing | 1.50Å | 1.44Å | |
| C20 | C19 | sing | 1.55Å | 1.54Å | |
| C12 | N14 | doub | 1.30Å | 1.38Å | |
| C12 | N13 | sing | 1.38Å | 1.27Å | |
| N14 | C18 | sing | 1.50Å | 1.45Å | |
| C17 | C18 | sing | 1.56Å | 1.55Å | |
| C18 | C19 | sing | 1.56Å | 1.54Å | |
| C19 | N21 | sing | 1.47Å | 1.47Å | |
| N21 | C22 | sing | 1.35Å | 1.37Å | |
| C22 | C24 | sing | 1.48Å | 1.45Å | |
| C22 | O23 | doub | 1.22Å | 1.22Å | |
| C25 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | CL30 | sing | 1.74Å | 1.74Å | |
| C27 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C31 | sing | 1.48Å | 1.46Å | |
| C38 | C37 | sing | 1.53Å | 1.50Å | |
| C38 | C39 | sing | 1.53Å | 1.51Å | |
| C31 | N36 | doub | 1.33Å | 1.34Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.41Å | Aromatic |
| N36 | C35 | sing | 1.32Å | 1.33Å | Aromatic |
| C32 | N33 | doub | 1.32Å | 1.33Å | Aromatic |
| C35 | C37 | sing | 1.51Å | 1.52Å | |
| C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | C39 | sing | 1.53Å | 1.50Å | |
| N33 | C34 | sing | 1.32Å | 1.34Å | Aromatic |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C32 | H14 | sing | 1.08Å | 1.08Å | |
| C34 | H15 | sing | 1.08Å | 1.08Å | |
| C37 | H16 | sing | 1.09Å | 1.10Å | |
| C38 | H17 | sing | 1.09Å | 1.10Å | |
| C38 | H18 | sing | 1.09Å | 1.10Å | |
| C39 | H19 | sing | 1.09Å | 1.10Å | |
| C39 | H20 | sing | 1.09Å | 1.10Å | |
| N13 | H21 | sing | 0.97Å | 1.00Å | |
| N21 | H22 | sing | 0.97Å | 1.00Å | |
| C12 | S1 | sing | 1.76Å | 1.58Å | |
| N13 | H8 | sing | 0.97Å | 1.00Å | |
| S1 | H23 | sing | 1.41Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 101.8° | 103.5° |
| C16 | C15 | C20 | 107.0° | 105.0° |
| C16 | C15 | N14 | 102.3° | 101.0° |
| C16 | C15 | H1 | 114.2° | 116.1° |
| C15 | C16 | H9 | 111.4° | 110.6° |
| C15 | C16 | H10 | 111.4° | 110.6° |
| C16 | C17 | C18 | 102.4° | 103.4° |
| C16 | C17 | H2 | 111.2° | 110.6° |
| C16 | C17 | H3 | 111.2° | 110.8° |
| C17 | C16 | H9 | 111.4° | 110.7° |
| C17 | C16 | H10 | 111.3° | 110.6° |
| C20 | C15 | N14 | 101.9° | 101.1° |
| C15 | C20 | C19 | 101.5° | 103.4° |
| C20 | C15 | H1 | 114.0° | 115.6° |
| C15 | C20 | H4 | 111.4° | 110.6° |
| C15 | C20 | H5 | 111.4° | 110.6° |
| C15 | N14 | C12 | 122.8° | 130.9° |
| C15 | N14 | C18 | 98.7° | 98.3° |
| N14 | C15 | H1 | 116.0° | 115.9° |
| C20 | C19 | C18 | 102.5° | 103.5° |
| C20 | C19 | N21 | 112.0° | 110.6° |
| C19 | C20 | H4 | 111.5° | 110.7° |
| C19 | C20 | H5 | 111.4° | 110.7° |
| C20 | C19 | H12 | 109.5° | 110.6° |
| N14 | C12 | N13 | 118.0° | 120.0° |
| C12 | N14 | C18 | 120.4° | 130.8° |
| N14 | C12 | S1 | 128.3° | 120.0° |
| C12 | N13 | H21 | 120.0° | 120.0° |
| N13 | C12 | S1 | 113.5° | 120.0° |
| C12 | N13 | H8 | 120.0° | 120.0° |
| N14 | C18 | C17 | 101.9° | 101.0° |
| N14 | C18 | C19 | 98.5° | 101.1° |
| N14 | C18 | H11 | 116.0° | 116.5° |
| C17 | C18 | C19 | 110.4° | 105.1° |
| C18 | C17 | H2 | 111.2° | 110.6° |
| C18 | C17 | H3 | 111.2° | 110.7° |
| C17 | C18 | H11 | 114.2° | 115.5° |
| C18 | C19 | N21 | 112.7° | 110.6° |
| C19 | C18 | H11 | 114.3° | 115.6° |
| C18 | C19 | H12 | 109.4° | 110.6° |
| C19 | N21 | C22 | 119.8° | 120.0° |
| N21 | C19 | H12 | 110.4° | 110.7° |
| C19 | N21 | H22 | 120.1° | 120.0° |
| N21 | C22 | C24 | 119.5° | 120.0° |
| N21 | C22 | O23 | 117.2° | 120.0° |
| C22 | N21 | H22 | 120.1° | 120.0° |
| C24 | C22 | O23 | 123.2° | 120.0° |
| C22 | C24 | C25 | 120.2° | 120.1° |
| C22 | C24 | C29 | 121.0° | 120.0° |
| C24 | C25 | C26 | 120.6° | 120.0° |
| C25 | C24 | C29 | 118.7° | 119.9° |
| C24 | C25 | H13 | 119.7° | 120.0° |
| C25 | C26 | C27 | 120.7° | 120.1° |
| C25 | C26 | H6 | 119.6° | 120.0° |
| C26 | C25 | H13 | 119.7° | 120.0° |
| C24 | C29 | C28 | 120.5° | 120.0° |
| C24 | C29 | CL30 | 121.4° | 120.0° |
| C26 | C27 | C28 | 118.9° | 120.0° |
| C26 | C27 | C31 | 119.9° | 120.0° |
| C27 | C26 | H6 | 119.6° | 119.9° |
| C28 | C29 | CL30 | 118.1° | 120.0° |
| C29 | C28 | C27 | 120.5° | 120.0° |
| C29 | C28 | H7 | 119.8° | 120.0° |
| C28 | C27 | C31 | 121.2° | 120.0° |
| C27 | C28 | H7 | 119.7° | 120.0° |
| C27 | C31 | N36 | 117.2° | 120.1° |
| C27 | C31 | C32 | 122.4° | 120.1° |
| C37 | C38 | C39 | 59.9° | 60.0° |
| C38 | C37 | C35 | 114.8° | 117.5° |
| C38 | C37 | C39 | 60.3° | 60.0° |
| C38 | C37 | H16 | 116.6° | 117.5° |
| C37 | C38 | H17 | 120.0° | 117.5° |
| C37 | C38 | H18 | 120.0° | 117.5° |
| C38 | C39 | C37 | 59.7° | 60.0° |
| C39 | C38 | H17 | 120.0° | 117.5° |
| C39 | C38 | H18 | 120.0° | 117.5° |
| C38 | C39 | H19 | 120.0° | 117.5° |
| C38 | C39 | H20 | 120.0° | 117.5° |
| N36 | C31 | C32 | 120.4° | 119.7° |
| C31 | N36 | C35 | 117.9° | 120.0° |
| C31 | C32 | N33 | 122.3° | 119.9° |
| C31 | C32 | H14 | 118.9° | 120.0° |
| N36 | C35 | C37 | 114.9° | 120.0° |
| N36 | C35 | C34 | 121.1° | 120.1° |
| C32 | N33 | C34 | 116.4° | 120.1° |
| N33 | C32 | H14 | 118.9° | 120.1° |
| C37 | C35 | C34 | 124.0° | 119.9° |
| C35 | C37 | C39 | 120.5° | 117.5° |
| C35 | C37 | H16 | 116.3° | 115.5° |
| C35 | C34 | N33 | 121.9° | 120.2° |
| C35 | C34 | H15 | 119.0° | 119.9° |
| C39 | C37 | H16 | 116.5° | 117.5° |
| C37 | C39 | H19 | 120.0° | 117.5° |
| C37 | C39 | H20 | 120.0° | 117.5° |
| N33 | C34 | H15 | 119.0° | 119.9° |
| H2 | C17 | H3 | 109.5° | 110.6° |
| H4 | C20 | H5 | 109.5° | 110.7° |
| H9 | C16 | H10 | 109.5° | 110.7° |
| H17 | C38 | H18 | 109.5° | 115.6° |
| H19 | C39 | H20 | 109.5° | 115.6° |
| H21 | N13 | H8 | 120.0° | 120.0° |
| C12 | S1 | H23 | 102.0° | 100.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H9 | 118.8° | 118.5° |
| C15 | C16 | C17 | H10 | 118.8° | 118.4° |
| C16 | C15 | C20 | N14 | 107.0° | 104.8° |
| C16 | C15 | C20 | H1 | 127.3° | 129.3° |
| C16 | C15 | N14 | H1 | 125.0° | 126.4° |
| C16 | C15 | C20 | C19 | 79.1° | 71.8° |
| C16 | C15 | N14 | C12 | 79.6° | 126.1° |
| C16 | C15 | N14 | C18 | 55.4° | 54.0° |
| C15 | C16 | C17 | C18 | 1.8° | 0.0° |
| C15 | C16 | C17 | H2 | 117.1° | 118.5° |
| C15 | C16 | C17 | H3 | 120.6° | 118.6° |
| C16 | C15 | C20 | H4 | 162.1° | 169.7° |
| C16 | C15 | C20 | H5 | 39.5° | 46.6° |
| C15 | C16 | H9 | H10 | 123.6° | 122.9° |
| C17 | C16 | C15 | C20 | 72.2° | 71.9° |
| C17 | C16 | C15 | N14 | 34.5° | 32.9° |
| C16 | C17 | C18 | N14 | 31.3° | 33.0° |
| C16 | C17 | C18 | H2 | 118.9° | 118.4° |
| C16 | C17 | C18 | H3 | 118.9° | 118.7° |
| C16 | C17 | C18 | C19 | 72.6° | 71.8° |
| C17 | C16 | C15 | H1 | 160.6° | 159.1° |
| C16 | C17 | H2 | H3 | 123.3° | 123.1° |
| C17 | C16 | H9 | H10 | 123.5° | 123.0° |
| C16 | C17 | C18 | H11 | 157.1° | 159.6° |
| C20 | C15 | N14 | H1 | 124.4° | 125.7° |
| C15 | C20 | C19 | H4 | 118.7° | 118.4° |
| C15 | C20 | C19 | H5 | 118.7° | 118.4° |
| C20 | C15 | N14 | C12 | 169.8° | 126.0° |
| C20 | C15 | N14 | C18 | 55.2° | 53.9° |
| C15 | C20 | C19 | C18 | 7.6° | 0.0° |
| C15 | C20 | C19 | N21 | 128.7° | 118.5° |
| C15 | C20 | H4 | H5 | 123.7° | 123.0° |
| C20 | C15 | C16 | H9 | 46.6° | 46.7° |
| C20 | C15 | C16 | H10 | 169.1° | 169.7° |
| C15 | C20 | C19 | H12 | 108.4° | 118.5° |
| N14 | C15 | C20 | C19 | 27.8° | 32.9° |
| C15 | N14 | C12 | C18 | 125.9° | 179.9° |
| C15 | N14 | C12 | N13 | 160.0° | 179.9° |
| C15 | N14 | C18 | C17 | 53.7° | 54.0° |
| C15 | N14 | C18 | C19 | 59.3° | 53.9° |
| N14 | C15 | C20 | H4 | 90.9° | 85.6° |
| N14 | C15 | C20 | H5 | 146.5° | 151.4° |
| N14 | C15 | C16 | H9 | 153.3° | 151.5° |
| N14 | C15 | C16 | H10 | 84.2° | 85.5° |
| C15 | N14 | C18 | H11 | 178.3° | 180.0° |
| C15 | N14 | C12 | S1 | 13.8° | 0.0° |
| C20 | C19 | C18 | N14 | 40.4° | 32.9° |
| C20 | C19 | C18 | C17 | 65.7° | 71.8° |
| C20 | C19 | C18 | N21 | 120.6° | 118.5° |
| C20 | C19 | C18 | H12 | 116.1° | 118.5° |
| C20 | C19 | N21 | H12 | 122.3° | 123.0° |
| C20 | C19 | N21 | C22 | 173.1° | 155.9° |
| C19 | C20 | C15 | H1 | 153.6° | 158.8° |
| C19 | C20 | H4 | H5 | 123.7° | 123.1° |
| C20 | C19 | C18 | H11 | 164.0° | 159.6° |
| C20 | C19 | N21 | H22 | 6.8° | 24.0° |
| N14 | C12 | N13 | S1 | 174.7° | 180.0° |
| C12 | N14 | C18 | C17 | 82.8° | 126.0° |
| C12 | N14 | C18 | C19 | 164.2° | 126.0° |
| C12 | N14 | C15 | H1 | 45.3° | 0.3° |
| C12 | N14 | C18 | H11 | 41.9° | 0.1° |
| N14 | C12 | N13 | H21 | 174.7° | 0.0° |
| N14 | C12 | N13 | H8 | 5.2° | 180.0° |
| N14 | C12 | S1 | H23 | 180.0° | 180.0° |
| N13 | C12 | N14 | C18 | 34.1° | 0.0° |
| C12 | N13 | H21 | H8 | 180.0° | 180.0° |
| N13 | C12 | S1 | H23 | 5.9° | 0.0° |
| N14 | C18 | C17 | C19 | 103.8° | 104.8° |
| N14 | C18 | C17 | H11 | 125.9° | 126.6° |
| N14 | C18 | C19 | H11 | 123.6° | 126.6° |
| N14 | C18 | C19 | N21 | 161.0° | 151.4° |
| C18 | N14 | C15 | H1 | 179.6° | 179.7° |
| N14 | C18 | C17 | H2 | 150.1° | 151.4° |
| N14 | C18 | C17 | H3 | 87.6° | 85.7° |
| N14 | C18 | C19 | H12 | 75.7° | 85.6° |
| C18 | N14 | C12 | S1 | 139.7° | 180.0° |
| C17 | C18 | C19 | H11 | 130.2° | 128.6° |
| C17 | C18 | C19 | N21 | 54.9° | 46.7° |
| C18 | C17 | H2 | H3 | 123.3° | 122.9° |
| C18 | C17 | C16 | H9 | 120.5° | 118.5° |
| C18 | C17 | C16 | H10 | 117.0° | 118.5° |
| C17 | C18 | C19 | H12 | 178.1° | 169.7° |
| C18 | C19 | N21 | H12 | 122.7° | 123.0° |
| C18 | C19 | N21 | C22 | 71.9° | 90.0° |
| C19 | C18 | C17 | H2 | 46.3° | 46.7° |
| C19 | C18 | C17 | H3 | 168.6° | 169.5° |
| C18 | C19 | C20 | H4 | 126.3° | 118.5° |
| C18 | C19 | C20 | H5 | 111.0° | 118.4° |
| C18 | C19 | N21 | H22 | 108.1° | 90.1° |
| C19 | N21 | C22 | H22 | 180.0° | 179.9° |
| C19 | N21 | C22 | C24 | 171.9° | 180.0° |
| C19 | N21 | C22 | O23 | 5.6° | 0.0° |
| N21 | C19 | C20 | H4 | 112.6° | 123.1° |
| N21 | C19 | C20 | H5 | 10.0° | 0.1° |
| N21 | C19 | C18 | H11 | 75.4° | 81.9° |
| N21 | C22 | C24 | O23 | 177.4° | 180.0° |
| N21 | C22 | C24 | C25 | 51.9° | 0.2° |
| N21 | C22 | C24 | C29 | 130.9° | 180.0° |
| C22 | N21 | C19 | H12 | 50.8° | 33.0° |
| C22 | C24 | C25 | C29 | 177.3° | 179.8° |
| C22 | C24 | C25 | C26 | 174.7° | 180.0° |
| C22 | C24 | C29 | C28 | 174.5° | 180.0° |
| C22 | C24 | C29 | CL30 | 5.7° | 0.1° |
| C22 | C24 | C25 | H13 | 5.3° | 0.0° |
| C24 | C22 | N21 | H22 | 8.1° | 0.1° |
| O23 | C22 | C24 | C25 | 125.5° | 179.7° |
| O23 | C22 | C24 | C29 | 51.7° | 0.0° |
| O23 | C22 | N21 | H22 | 174.4° | 180.0° |
| C24 | C25 | C26 | H13 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.2° | 0.0° |
| C25 | C24 | C29 | C28 | 2.7° | 0.2° |
| C25 | C24 | C29 | CL30 | 177.0° | 179.7° |
| C24 | C25 | C26 | H6 | 179.8° | 179.7° |
| C26 | C25 | C24 | C29 | 2.6° | 0.2° |
| C25 | C26 | C27 | H6 | 180.0° | 179.7° |
| C25 | C26 | C27 | C28 | 2.2° | 0.3° |
| C25 | C26 | C27 | C31 | 175.1° | 179.7° |
| C24 | C29 | C28 | CL30 | 179.8° | 180.0° |
| C24 | C29 | C28 | C27 | 0.4° | 0.0° |
| C24 | C29 | C28 | H7 | 179.6° | 179.8° |
| C29 | C24 | C25 | H13 | 177.4° | 179.8° |
| C26 | C27 | C28 | C29 | 2.0° | 0.3° |
| C26 | C27 | C28 | C31 | 177.2° | 180.0° |
| C26 | C27 | C31 | N36 | 42.9° | 175.0° |
| C26 | C27 | C31 | C32 | 138.4° | 5.2° |
| C26 | C27 | C28 | H7 | 178.0° | 180.0° |
| C27 | C26 | C25 | H13 | 179.9° | 180.0° |
| C29 | C28 | C27 | H7 | 180.0° | 179.7° |
| C29 | C28 | C27 | C31 | 175.2° | 179.7° |
| CL30 | C29 | C28 | C27 | 179.4° | 180.0° |
| CL30 | C29 | C28 | H7 | 0.6° | 0.3° |
| C28 | C27 | C31 | N36 | 134.3° | 5.0° |
| C28 | C27 | C31 | C32 | 44.4° | 174.8° |
| C28 | C27 | C26 | H6 | 177.8° | 180.0° |
| C27 | C31 | N36 | C32 | 178.7° | 179.8° |
| C27 | C31 | N36 | C35 | 177.6° | 180.0° |
| C27 | C31 | C32 | N33 | 177.6° | 180.0° |
| C31 | C27 | C26 | H6 | 4.9° | 0.0° |
| C31 | C27 | C28 | H7 | 4.8° | 0.0° |
| C27 | C31 | C32 | H14 | 2.4° | 0.0° |
| C37 | C38 | C39 | H17 | 109.5° | 107.5° |
| C37 | C38 | C39 | H18 | 109.5° | 107.5° |
| C38 | C37 | C35 | N36 | 91.7° | 146.3° |
| C38 | C37 | C35 | C39 | 68.8° | 68.6° |
| C38 | C37 | C35 | H16 | 141.0° | 145.7° |
| C38 | C37 | C35 | C34 | 89.9° | 33.6° |
| C38 | C37 | C39 | H16 | 106.9° | 107.5° |
| C37 | C38 | H17 | H18 | 144.8° | 145.7° |
| C37 | C38 | C39 | H19 | 109.4° | 107.5° |
| C37 | C38 | C39 | H20 | 109.4° | 107.5° |
| C39 | C38 | H17 | H18 | 144.7° | 145.7° |
| C38 | C39 | H19 | H20 | 144.9° | 145.7° |
| N36 | C31 | C32 | N33 | 1.0° | 0.2° |
| C31 | N36 | C35 | C37 | 178.1° | 180.0° |
| C31 | N36 | C35 | C34 | 0.4° | 0.0° |
| N36 | C31 | C32 | H14 | 179.0° | 179.8° |
| C32 | C31 | N36 | C35 | 1.1° | 0.2° |
| C31 | C32 | N33 | H14 | 180.0° | 179.9° |
| C31 | C32 | N33 | C34 | 0.1° | 0.1° |
| N36 | C35 | C37 | C34 | 178.4° | 180.0° |
| N36 | C35 | C37 | C39 | 160.5° | 145.1° |
| N36 | C35 | C34 | N33 | 0.5° | 0.2° |
| N36 | C35 | C34 | H15 | 179.5° | 179.9° |
| N36 | C35 | C37 | H16 | 49.3° | 0.6° |
| C32 | N33 | C34 | C35 | 0.6° | 0.3° |
| C32 | N33 | C34 | H15 | 179.4° | 179.9° |
| C35 | C37 | C39 | H16 | 150.1° | 145.0° |
| C37 | C35 | C34 | N33 | 178.8° | 179.7° |
| C37 | C35 | C34 | H15 | 1.2° | 0.1° |
| C35 | C37 | C38 | H17 | 2.9° | 0.0° |
| C35 | C37 | C38 | H18 | 138.2° | 145.0° |
| C35 | C37 | C39 | H19 | 6.5° | 145.0° |
| C35 | C37 | C39 | H20 | 147.6° | 0.0° |
| C34 | C35 | C37 | C39 | 21.1° | 35.0° |
| C35 | C34 | N33 | H15 | 180.0° | 179.7° |
| C34 | C35 | C37 | H16 | 129.1° | 179.3° |
| C37 | C39 | H19 | H20 | 144.8° | 145.7° |
| C34 | N33 | C32 | H14 | 179.9° | 180.0° |
| H1 | C15 | C20 | H4 | 34.8° | 40.4° |
| H1 | C15 | C20 | H5 | 87.8° | 82.7° |
| H1 | C15 | C16 | H9 | 80.6° | 82.3° |
| H1 | C15 | C16 | H10 | 41.9° | 40.7° |
| H2 | C17 | C16 | H9 | 1.7° | 0.1° |
| H2 | C17 | C16 | H10 | 124.1° | 123.1° |
| H2 | C17 | C18 | H11 | 84.0° | 82.0° |
| H3 | C17 | C16 | H9 | 120.6° | 122.9° |
| H3 | C17 | C16 | H10 | 1.9° | 0.1° |
| H3 | C17 | C18 | H11 | 38.3° | 40.9° |
| H4 | C20 | C19 | H12 | 10.3° | 0.1° |
| H5 | C20 | C19 | H12 | 132.9° | 123.1° |
| H6 | C26 | C25 | H13 | 0.1° | 0.3° |
| H11 | C18 | C19 | H12 | 47.9° | 41.1° |
| H12 | C19 | N21 | H22 | 129.2° | 146.9° |
| H16 | C37 | C38 | H17 | 143.8° | 145.0° |
| H16 | C37 | C38 | H18 | 2.6° | 0.0° |
| H16 | C37 | C39 | H19 | 143.7° | 0.0° |
| H16 | C37 | C39 | H20 | 2.5° | 145.0° |
| H17 | C38 | C39 | H19 | 0.1° | 145.0° |
| H17 | C38 | C39 | H20 | 141.1° | 0.0° |
| H18 | C38 | C39 | H19 | 141.1° | 0.0° |
| H18 | C38 | C39 | H20 | 0.1° | 145.0° |
| H21 | N13 | C12 | S1 | 0.0° | 180.0° |
| S1 | C12 | N13 | H8 | 180.0° | 0.1° |
