6QS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.20Å | |
| O14 | C15 | sing | 1.44Å | 1.42Å | |
| O14 | C13 | sing | 1.44Å | 1.40Å | |
| C02 | C07 | sing | 1.41Å | 1.45Å | |
| C02 | C03 | sing | 1.51Å | 1.48Å | |
| C15 | C16 | sing | 1.55Å | 1.51Å | |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.44Å | |
| C08 | C09 | sing | 1.50Å | 1.46Å | |
| C08 | C22 | sing | 1.51Å | 1.47Å | |
| O11 | C10 | sing | 1.35Å | 1.42Å | |
| O11 | C12 | sing | 1.43Å | 1.40Å | |
| C07 | C06 | doub | 1.35Å | 1.46Å | |
| C03 | C04 | sing | 1.53Å | 1.50Å | |
| C04 | C05 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| C13 | C17 | sing | 1.54Å | 1.51Å | |
| C10 | C09 | sing | 1.41Å | 1.48Å | |
| C10 | O18 | doub | 1.22Å | 1.19Å | |
| C24 | C27 | sing | 1.39Å | 1.37Å | Aromatic |
| C09 | C19 | doub | 1.34Å | 1.47Å | |
| C22 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.49Å | |
| C06 | N21 | sing | 1.37Å | 1.31Å | |
| C16 | C17 | sing | 1.55Å | 1.50Å | |
| C19 | N21 | sing | 1.37Å | 1.31Å | |
| C19 | C20 | sing | 1.51Å | 1.49Å | |
| C27 | C26 | doub | 1.40Å | 1.45Å | Aromatic |
| C27 | N28 | sing | 1.38Å | 1.34Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | N28 | sing | 1.46Å | 1.45Å | |
| C29 | C30 | sing | 1.53Å | 1.50Å | |
| C26 | C32 | sing | 1.47Å | 1.44Å | Aromatic |
| N28 | C31 | sing | 1.38Å | 1.34Å | Aromatic |
| C31 | C32 | doub | 1.40Å | 1.45Å | Aromatic |
| C31 | C36 | sing | 1.39Å | 1.37Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.37Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.08Å | 1.08Å | |
| C34 | H26 | sing | 1.08Å | 1.08Å | |
| C35 | H27 | sing | 1.08Å | 1.08Å | |
| C36 | H28 | sing | 1.08Å | 1.08Å | |
| C08 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| N21 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C07 | 118.9° | 119.4° |
| O01 | C02 | C03 | 122.6° | 119.4° |
| C15 | O14 | C13 | 110.7° | 107.0° |
| O14 | C15 | C16 | 108.6° | 103.5° |
| O14 | C15 | H10 | 109.7° | 110.7° |
| O14 | C15 | H30 | 109.7° | 110.6° |
| O14 | C13 | C12 | 106.6° | 109.9° |
| O14 | C13 | C17 | 108.6° | 107.3° |
| O14 | C13 | H9 | 111.8° | 110.0° |
| C07 | C02 | C03 | 118.3° | 121.2° |
| C02 | C07 | C08 | 118.7° | 118.2° |
| C02 | C07 | C06 | 117.1° | 121.1° |
| C02 | C03 | C04 | 104.6° | 109.0° |
| C02 | C03 | H1 | 110.7° | 109.5° |
| C02 | C03 | H2 | 110.6° | 109.5° |
| C15 | C16 | C17 | 105.1° | 102.1° |
| C16 | C15 | H10 | 109.7° | 110.6° |
| C15 | C16 | H11 | 110.6° | 110.9° |
| C16 | C15 | H30 | 109.7° | 110.6° |
| C15 | C16 | H31 | 110.6° | 110.9° |
| C24 | C23 | C22 | 123.6° | 120.6° |
| C23 | C24 | C27 | 118.7° | 120.0° |
| C24 | C23 | H17 | 118.2° | 119.7° |
| C23 | C24 | H18 | 120.7° | 120.0° |
| C23 | C22 | C08 | 117.4° | 119.8° |
| C23 | C22 | C25 | 120.0° | 120.3° |
| C22 | C23 | H17 | 118.2° | 119.8° |
| C07 | C08 | C09 | 110.4° | 111.0° |
| C07 | C08 | C22 | 106.5° | 109.1° |
| C08 | C07 | C06 | 124.2° | 120.7° |
| C07 | C08 | H29 | 111.4° | 109.2° |
| C09 | C08 | C22 | 106.2° | 109.2° |
| C08 | C09 | C10 | 118.0° | 119.4° |
| C08 | C09 | C19 | 121.6° | 121.2° |
| C09 | C08 | H29 | 111.2° | 109.2° |
| C08 | C22 | C25 | 122.6° | 119.9° |
| C22 | C08 | H29 | 110.9° | 109.1° |
| C10 | O11 | C12 | 117.9° | 117.1° |
| O11 | C10 | C09 | 120.9° | 120.0° |
| O11 | C10 | O18 | 116.4° | 120.0° |
| O11 | C12 | C13 | 103.5° | 109.5° |
| O11 | C12 | H7 | 111.0° | 109.4° |
| O11 | C12 | H8 | 110.9° | 109.5° |
| C07 | C06 | C05 | 120.5° | 121.0° |
| C07 | C06 | N21 | 120.3° | 120.5° |
| C03 | C04 | C05 | 111.1° | 108.5° |
| C04 | C03 | H1 | 110.7° | 109.6° |
| C04 | C03 | H2 | 110.7° | 109.6° |
| C03 | C04 | H3 | 109.1° | 109.7° |
| C03 | C04 | H4 | 109.1° | 109.6° |
| C04 | C05 | C06 | 113.1° | 109.6° |
| C05 | C04 | H3 | 109.1° | 109.7° |
| C05 | C04 | H4 | 109.1° | 109.6° |
| C04 | C05 | H5 | 108.6° | 109.4° |
| C04 | C05 | H6 | 108.6° | 109.5° |
| C12 | C13 | C17 | 109.1° | 109.9° |
| C13 | C12 | H7 | 110.9° | 109.5° |
| C13 | C12 | H8 | 110.9° | 109.5° |
| C12 | C13 | H9 | 110.4° | 109.9° |
| C13 | C17 | C16 | 106.0° | 104.2° |
| C17 | C13 | H9 | 110.3° | 109.9° |
| C13 | C17 | H12 | 110.3° | 110.5° |
| C13 | C17 | H13 | 110.3° | 110.5° |
| C09 | C10 | O18 | 122.7° | 120.0° |
| C10 | C09 | C19 | 120.3° | 119.3° |
| C24 | C27 | C26 | 117.6° | 119.3° |
| C24 | C27 | N28 | 133.5° | 132.3° |
| C27 | C24 | H18 | 120.6° | 120.0° |
| C09 | C19 | N21 | 121.9° | 120.4° |
| C09 | C19 | C20 | 120.6° | 119.8° |
| C22 | C25 | C26 | 116.9° | 119.8° |
| C22 | C25 | H19 | 121.5° | 120.1° |
| C05 | C06 | N21 | 119.2° | 118.5° |
| C06 | C05 | H5 | 108.6° | 109.5° |
| C06 | C05 | H6 | 108.6° | 109.4° |
| C06 | N21 | C19 | 121.5° | 120.5° |
| C06 | N21 | H32 | 119.2° | 119.7° |
| C17 | C16 | H11 | 110.6° | 110.9° |
| C16 | C17 | H12 | 110.4° | 110.5° |
| C16 | C17 | H13 | 110.4° | 110.5° |
| C17 | C16 | H31 | 110.6° | 110.9° |
| N21 | C19 | C20 | 117.5° | 119.9° |
| C19 | N21 | H32 | 119.3° | 119.8° |
| C19 | C20 | H14 | 109.5° | 109.5° |
| C19 | C20 | H15 | 109.5° | 109.5° |
| C19 | C20 | H16 | 109.5° | 109.4° |
| C26 | C27 | N28 | 108.9° | 108.4° |
| C27 | C26 | C25 | 123.2° | 120.1° |
| C27 | C26 | C32 | 104.4° | 106.5° |
| C27 | N28 | C29 | 120.3° | 124.9° |
| C27 | N28 | C31 | 112.6° | 110.2° |
| C25 | C26 | C32 | 132.4° | 133.4° |
| C26 | C25 | H19 | 121.6° | 120.1° |
| N28 | C29 | C30 | 112.2° | 109.5° |
| C29 | N28 | C31 | 127.2° | 124.9° |
| N28 | C29 | H20 | 108.8° | 109.5° |
| N28 | C29 | H21 | 108.8° | 109.5° |
| C30 | C29 | H20 | 108.8° | 109.5° |
| C30 | C29 | H21 | 108.8° | 109.4° |
| C29 | C30 | H22 | 109.5° | 109.5° |
| C29 | C30 | H23 | 109.5° | 109.5° |
| C29 | C30 | H24 | 109.4° | 109.5° |
| C26 | C32 | C31 | 107.0° | 106.4° |
| C26 | C32 | C33 | 130.6° | 133.6° |
| N28 | C31 | C32 | 107.1° | 108.4° |
| N28 | C31 | C36 | 135.1° | 132.2° |
| C32 | C31 | C36 | 117.9° | 119.4° |
| C31 | C32 | C33 | 122.4° | 120.0° |
| C31 | C36 | C35 | 119.2° | 120.0° |
| C31 | C36 | H28 | 120.4° | 120.0° |
| C32 | C33 | C34 | 117.3° | 119.8° |
| C32 | C33 | H25 | 121.3° | 120.1° |
| C36 | C35 | C34 | 122.0° | 120.6° |
| C36 | C35 | H27 | 119.0° | 119.7° |
| C35 | C36 | H28 | 120.4° | 120.0° |
| C33 | C34 | C35 | 121.3° | 120.2° |
| C34 | C33 | H25 | 121.4° | 120.1° |
| C33 | C34 | H26 | 119.4° | 119.9° |
| C35 | C34 | H26 | 119.4° | 119.9° |
| C34 | C35 | H27 | 119.0° | 119.7° |
| H1 | C03 | H2 | 109.5° | 109.7° |
| H3 | C04 | H4 | 109.5° | 109.8° |
| H5 | C05 | H6 | 109.4° | 109.4° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H10 | C15 | H30 | 109.5° | 110.7° |
| H11 | C16 | H31 | 109.5° | 110.9° |
| H12 | C17 | H13 | 109.5° | 110.5° |
| H14 | C20 | H15 | 109.4° | 109.5° |
| H14 | C20 | H16 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.4° |
| H20 | C29 | H21 | 109.5° | 109.5° |
| H22 | C30 | H23 | 109.5° | 109.5° |
| H22 | C30 | H24 | 109.5° | 109.4° |
| H23 | C30 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C07 | C03 | 175.3° | 179.7° |
| O01 | C02 | C07 | C08 | 27.9° | 0.5° |
| O01 | C02 | C07 | C06 | 151.5° | 179.2° |
| O01 | C02 | C03 | C04 | 120.0° | 151.8° |
| O01 | C02 | C03 | H1 | 120.8° | 88.4° |
| O01 | C02 | C03 | H2 | 0.7° | 31.9° |
| O14 | C15 | C16 | H10 | 119.9° | 118.5° |
| O14 | C15 | C16 | H30 | 119.9° | 118.5° |
| C15 | O14 | C13 | C12 | 126.2° | 145.9° |
| C15 | O14 | C13 | C17 | 8.8° | 26.5° |
| O14 | C15 | C16 | C17 | 3.2° | 37.0° |
| C15 | O14 | C13 | H9 | 113.1° | 93.0° |
| O14 | C15 | H10 | H30 | 120.4° | 123.0° |
| O14 | C15 | C16 | H11 | 122.5° | 81.2° |
| O14 | C15 | C16 | H31 | 116.1° | 155.2° |
| C13 | O14 | C15 | C16 | 3.4° | 40.0° |
| O14 | C13 | C12 | O11 | 107.2° | 67.2° |
| O14 | C13 | C12 | C17 | 117.0° | 117.8° |
| O14 | C13 | C12 | H9 | 121.6° | 121.1° |
| O14 | C13 | C17 | H9 | 122.9° | 119.5° |
| O14 | C13 | C17 | C16 | 10.5° | 2.0° |
| O14 | C13 | C12 | H7 | 133.7° | 172.9° |
| O14 | C13 | C12 | H8 | 11.8° | 52.9° |
| C13 | O14 | C15 | H10 | 123.3° | 158.5° |
| O14 | C13 | C17 | H12 | 130.0° | 120.7° |
| O14 | C13 | C17 | H13 | 108.9° | 116.7° |
| C13 | O14 | C15 | H30 | 116.4° | 78.4° |
| C02 | C07 | C08 | C06 | 179.3° | 179.6° |
| C02 | C07 | C08 | C09 | 177.5° | 162.2° |
| C02 | C07 | C08 | C22 | 67.6° | 77.4° |
| C07 | C02 | C03 | C04 | 55.1° | 27.9° |
| C02 | C07 | C06 | C05 | 1.4° | 0.2° |
| C02 | C07 | C06 | N21 | 178.5° | 179.5° |
| C07 | C02 | C03 | H1 | 64.1° | 91.9° |
| C07 | C02 | C03 | H2 | 174.4° | 147.8° |
| C02 | C07 | C08 | H29 | 53.5° | 41.7° |
| C03 | C02 | C07 | C08 | 156.9° | 179.2° |
| C03 | C02 | C07 | C06 | 23.8° | 1.1° |
| C02 | C03 | C04 | H1 | 119.2° | 119.8° |
| C02 | C03 | C04 | H2 | 119.2° | 119.8° |
| C02 | C03 | C04 | C05 | 66.3° | 56.5° |
| C02 | C03 | H1 | H2 | 122.2° | 120.2° |
| C02 | C03 | C04 | H3 | 173.4° | 176.3° |
| C02 | C03 | C04 | H4 | 53.9° | 63.1° |
| C15 | C16 | C17 | C13 | 8.1° | 20.9° |
| C15 | C16 | C17 | H11 | 119.3° | 118.2° |
| C15 | C16 | C17 | H31 | 119.3° | 118.2° |
| C16 | C15 | H10 | H30 | 120.4° | 123.0° |
| C15 | C16 | H11 | H31 | 122.0° | 123.7° |
| C15 | C16 | C17 | H12 | 127.6° | 97.8° |
| C15 | C16 | C17 | H13 | 111.3° | 139.6° |
| C24 | C23 | C22 | H17 | 180.0° | 179.9° |
| C24 | C23 | C22 | C08 | 179.3° | 180.0° |
| C23 | C24 | C27 | H18 | 180.0° | 179.9° |
| C24 | C23 | C22 | C25 | 0.0° | 0.2° |
| C23 | C24 | C27 | C26 | 0.6° | 0.4° |
| C23 | C24 | C27 | N28 | 179.9° | 180.0° |
| C23 | C22 | C08 | C07 | 132.3° | 60.2° |
| C23 | C22 | C08 | C09 | 110.0° | 61.3° |
| C23 | C22 | C08 | C25 | 179.3° | 179.7° |
| C22 | C23 | C24 | C27 | 0.4° | 0.1° |
| C23 | C22 | C25 | C26 | 0.0° | 0.2° |
| C22 | C23 | C24 | H18 | 179.6° | 180.0° |
| C23 | C22 | C25 | H19 | 180.0° | 179.7° |
| C23 | C22 | C08 | H29 | 10.9° | 179.5° |
| C07 | C08 | C09 | C22 | 115.1° | 120.4° |
| C07 | C08 | C09 | H29 | 124.2° | 120.5° |
| C07 | C08 | C22 | H29 | 121.4° | 119.3° |
| C07 | C08 | C09 | C10 | 179.1° | 162.3° |
| C07 | C08 | C09 | C19 | 1.8° | 17.6° |
| C07 | C08 | C22 | C25 | 48.4° | 120.0° |
| C08 | C07 | C06 | C05 | 179.3° | 179.5° |
| C08 | C07 | C06 | N21 | 0.8° | 0.9° |
| C09 | C08 | C22 | H29 | 120.9° | 119.2° |
| C08 | C09 | C10 | O11 | 16.1° | 105.7° |
| C09 | C08 | C07 | C06 | 1.8° | 18.2° |
| C08 | C09 | C10 | C19 | 179.1° | 180.0° |
| C08 | C09 | C10 | O18 | 163.0° | 74.3° |
| C09 | C08 | C22 | C25 | 69.3° | 118.5° |
| C08 | C09 | C19 | N21 | 1.0° | 0.3° |
| C08 | C09 | C19 | C20 | 178.8° | 179.7° |
| C22 | C08 | C07 | C06 | 113.1° | 102.2° |
| C22 | C08 | C09 | C10 | 65.8° | 77.3° |
| C22 | C08 | C09 | C19 | 113.3° | 102.7° |
| C08 | C22 | C25 | C26 | 179.3° | 180.0° |
| C08 | C22 | C23 | H17 | 0.7° | 0.1° |
| C08 | C22 | C25 | H19 | 0.7° | 0.0° |
| C10 | O11 | C12 | C13 | 158.8° | 180.0° |
| O11 | C10 | C09 | O18 | 179.1° | 180.0° |
| O11 | C10 | C09 | C19 | 163.0° | 74.3° |
| C10 | O11 | C12 | H7 | 39.7° | 60.0° |
| C10 | O11 | C12 | H8 | 82.1° | 60.0° |
| O11 | C12 | C13 | H7 | 119.1° | 119.9° |
| O11 | C12 | C13 | H8 | 119.0° | 120.1° |
| O11 | C12 | C13 | C17 | 135.8° | 175.0° |
| C12 | O11 | C10 | C09 | 144.6° | 180.0° |
| C12 | O11 | C10 | O18 | 36.2° | 0.0° |
| O11 | C12 | H7 | H8 | 122.7° | 120.0° |
| O11 | C12 | C13 | H9 | 14.4° | 53.9° |
| C07 | C06 | C05 | C04 | 13.9° | 30.6° |
| C07 | C06 | C05 | N21 | 179.9° | 179.7° |
| C07 | C06 | N21 | C19 | 0.4° | 19.6° |
| C07 | C06 | C05 | H5 | 106.7° | 89.5° |
| C07 | C06 | C05 | H6 | 134.4° | 150.6° |
| C06 | C07 | C08 | H29 | 125.8° | 138.6° |
| C07 | C06 | N21 | H32 | 179.6° | 161.2° |
| C03 | C04 | C05 | H3 | 120.2° | 119.8° |
| C03 | C04 | C05 | H4 | 120.2° | 119.7° |
| C03 | C04 | C05 | C06 | 47.6° | 58.2° |
| C04 | C03 | H1 | H2 | 122.3° | 120.3° |
| C03 | C04 | H3 | H4 | 119.3° | 120.5° |
| C03 | C04 | C05 | H5 | 72.9° | 61.8° |
| C03 | C04 | C05 | H6 | 168.2° | 178.2° |
| C04 | C05 | C06 | H5 | 120.6° | 120.1° |
| C04 | C05 | C06 | H6 | 120.5° | 120.1° |
| C04 | C05 | C06 | N21 | 166.1° | 149.1° |
| C05 | C04 | C03 | H1 | 52.9° | 63.3° |
| C05 | C04 | C03 | H2 | 174.5° | 176.4° |
| C05 | C04 | H3 | H4 | 119.3° | 120.5° |
| C04 | C05 | H5 | H6 | 118.4° | 120.0° |
| C12 | C13 | C17 | H9 | 121.4° | 121.1° |
| C12 | C13 | C17 | C16 | 126.3° | 121.4° |
| C13 | C12 | H7 | H8 | 122.8° | 120.0° |
| C12 | C13 | C17 | H12 | 114.3° | 119.9° |
| C12 | C13 | C17 | H13 | 6.8° | 2.8° |
| C13 | C17 | C16 | H12 | 119.4° | 118.8° |
| C13 | C17 | C16 | H13 | 119.4° | 118.7° |
| C17 | C13 | C12 | H7 | 16.7° | 55.0° |
| C17 | C13 | C12 | H8 | 105.2° | 65.0° |
| C13 | C17 | C16 | H11 | 127.4° | 97.3° |
| C13 | C17 | H12 | H13 | 121.6° | 122.6° |
| C13 | C17 | C16 | H31 | 111.2° | 139.1° |
| C10 | C09 | C19 | N21 | 180.0° | 179.7° |
| C10 | C09 | C19 | C20 | 0.3° | 0.4° |
| C10 | C09 | C08 | H29 | 54.9° | 41.9° |
| O18 | C10 | C09 | C19 | 17.9° | 105.7° |
| C24 | C27 | C26 | N28 | 179.4° | 179.8° |
| C24 | C27 | C26 | C25 | 0.6° | 0.4° |
| C24 | C27 | N28 | C29 | 1.0° | 0.0° |
| C24 | C27 | C26 | C32 | 179.5° | 179.7° |
| C24 | C27 | N28 | C31 | 179.2° | 180.0° |
| C27 | C24 | C23 | H17 | 179.6° | 180.0° |
| C09 | C19 | N21 | C06 | 0.3° | 20.3° |
| C09 | C19 | N21 | C20 | 179.7° | 179.4° |
| C09 | C19 | C20 | H14 | 180.0° | 88.0° |
| C09 | C19 | C20 | H15 | 60.0° | 152.0° |
| C09 | C19 | C20 | H16 | 60.0° | 32.1° |
| C19 | C09 | C08 | H29 | 126.0° | 138.1° |
| C09 | C19 | N21 | H32 | 179.7° | 160.6° |
| C22 | C25 | C26 | C27 | 0.3° | 0.1° |
| C22 | C25 | C26 | H19 | 180.0° | 179.9° |
| C22 | C25 | C26 | C32 | 179.8° | 180.0° |
| C25 | C22 | C23 | H17 | 180.0° | 179.7° |
| C25 | C22 | C08 | H29 | 169.8° | 0.8° |
| C05 | C06 | N21 | C19 | 179.6° | 160.1° |
| C06 | C05 | C04 | H3 | 167.9° | 178.0° |
| C06 | C05 | C04 | H4 | 72.6° | 61.4° |
| C06 | C05 | H5 | H6 | 118.3° | 119.9° |
| C05 | C06 | N21 | H32 | 0.5° | 19.1° |
| C06 | N21 | C19 | H32 | 180.0° | 179.2° |
| C06 | N21 | C19 | C20 | 180.0° | 160.4° |
| N21 | C06 | C05 | H5 | 73.4° | 90.8° |
| N21 | C06 | C05 | H6 | 45.5° | 29.1° |
| C16 | C17 | C13 | H9 | 112.3° | 117.5° |
| C17 | C16 | C15 | H10 | 116.6° | 155.5° |
| C17 | C16 | H11 | H31 | 122.0° | 123.6° |
| C16 | C17 | H12 | H13 | 121.6° | 122.6° |
| C17 | C16 | C15 | H30 | 123.1° | 81.4° |
| N21 | C19 | C20 | H14 | 0.3° | 91.4° |
| N21 | C19 | C20 | H15 | 120.2° | 28.6° |
| N21 | C19 | C20 | H16 | 119.7° | 148.5° |
| C19 | C20 | H14 | H15 | 120.0° | 120.0° |
| C19 | C20 | H14 | H16 | 120.0° | 120.0° |
| C19 | C20 | H15 | H16 | 120.0° | 119.9° |
| C20 | C19 | N21 | H32 | 0.0° | 18.8° |
| C27 | C26 | C25 | C32 | 179.9° | 179.9° |
| C26 | C27 | N28 | C29 | 179.7° | 179.7° |
| C26 | C27 | N28 | C31 | 0.1° | 0.3° |
| C27 | C26 | C32 | C31 | 0.1° | 0.4° |
| C27 | C26 | C32 | C33 | 179.8° | 180.0° |
| C26 | C27 | C24 | H18 | 179.4° | 179.7° |
| C27 | C26 | C25 | H19 | 179.7° | 180.0° |
| N28 | C27 | C26 | C25 | 180.0° | 179.9° |
| C27 | N28 | C29 | C31 | 179.8° | 180.0° |
| C27 | N28 | C29 | C30 | 169.6° | 90.0° |
| N28 | C27 | C26 | C32 | 0.0° | 0.0° |
| C27 | N28 | C31 | C32 | 0.1° | 0.5° |
| C27 | N28 | C31 | C36 | 180.0° | 180.0° |
| N28 | C27 | C24 | H18 | 0.1° | 0.0° |
| C27 | N28 | C29 | H20 | 49.2° | 150.0° |
| C27 | N28 | C29 | H21 | 70.0° | 30.0° |
| C25 | C26 | C32 | C31 | 179.9° | 179.6° |
| C25 | C26 | C32 | C33 | 0.2° | 0.0° |
| N28 | C29 | C30 | H20 | 120.4° | 120.0° |
| N28 | C29 | C30 | H21 | 120.4° | 120.0° |
| C29 | N28 | C31 | C32 | 179.6° | 179.4° |
| C29 | N28 | C31 | C36 | 0.2° | 0.0° |
| N28 | C29 | H20 | H21 | 118.8° | 120.1° |
| N28 | C29 | C30 | H22 | 180.0° | 180.0° |
| N28 | C29 | C30 | H23 | 60.0° | 60.0° |
| N28 | C29 | C30 | H24 | 60.0° | 60.0° |
| C30 | C29 | N28 | C31 | 10.6° | 90.0° |
| C30 | C29 | H20 | H21 | 118.7° | 119.9° |
| C29 | C30 | H22 | H23 | 120.0° | 120.0° |
| C29 | C30 | H22 | H24 | 120.0° | 120.0° |
| C29 | C30 | H23 | H24 | 120.0° | 120.0° |
| C26 | C32 | C31 | N28 | 0.2° | 0.5° |
| C26 | C32 | C31 | C33 | 179.9° | 179.7° |
| C26 | C32 | C31 | C36 | 179.9° | 179.9° |
| C26 | C32 | C33 | C34 | 180.0° | 180.0° |
| C32 | C26 | C25 | H19 | 0.2° | 0.1° |
| C26 | C32 | C33 | H25 | 0.0° | 0.1° |
| N28 | C31 | C32 | C36 | 179.9° | 179.5° |
| N28 | C31 | C32 | C33 | 179.8° | 179.8° |
| N28 | C31 | C36 | C35 | 179.7° | 179.0° |
| C31 | N28 | C29 | H20 | 131.0° | 30.0° |
| C31 | N28 | C29 | H21 | 109.8° | 150.0° |
| N28 | C31 | C36 | H28 | 0.3° | 0.0° |
| C32 | C31 | C36 | C35 | 0.1° | 0.4° |
| C31 | C32 | C33 | C34 | 0.1° | 0.5° |
| C31 | C32 | C33 | H25 | 179.9° | 179.6° |
| C32 | C31 | C36 | H28 | 179.9° | 179.4° |
| C36 | C31 | C32 | C33 | 0.1° | 0.3° |
| C31 | C36 | C35 | H28 | 180.0° | 179.0° |
| C31 | C36 | C35 | C34 | 0.1° | 0.8° |
| C31 | C36 | C35 | H27 | 179.9° | 179.8° |
| C32 | C33 | C34 | H25 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.0° | 0.0° |
| C32 | C33 | C34 | H26 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.0° | 0.7° |
| C36 | C35 | C34 | H27 | 180.0° | 179.4° |
| C36 | C35 | C34 | H26 | 180.0° | 179.4° |
| C33 | C34 | C35 | H26 | 180.0° | 180.0° |
| C33 | C34 | C35 | H27 | 180.0° | 180.0° |
| C35 | C34 | C33 | H25 | 180.0° | 179.9° |
| C34 | C35 | C36 | H28 | 180.0° | 179.9° |
| H1 | C03 | C04 | H3 | 67.4° | 56.5° |
| H1 | C03 | C04 | H4 | 173.1° | 177.1° |
| H2 | C03 | C04 | H3 | 54.2° | 63.9° |
| H2 | C03 | C04 | H4 | 65.3° | 56.7° |
| H3 | C04 | C05 | H5 | 47.3° | 57.9° |
| H3 | C04 | C05 | H6 | 71.6° | 62.0° |
| H4 | C04 | C05 | H5 | 166.9° | 178.5° |
| H4 | C04 | C05 | H6 | 48.0° | 58.6° |
| H7 | C12 | C13 | H9 | 104.6° | 66.0° |
| H8 | C12 | C13 | H9 | 133.5° | 174.0° |
| H9 | C13 | C17 | H12 | 7.1° | 1.2° |
| H9 | C13 | C17 | H13 | 128.2° | 123.8° |
| H10 | C15 | C16 | H11 | 2.7° | 37.3° |
| H10 | C15 | C16 | H31 | 124.1° | 86.3° |
| H11 | C16 | C17 | H12 | 113.1° | 143.9° |
| H11 | C16 | C17 | H13 | 8.0° | 21.4° |
| H11 | C16 | C15 | H30 | 117.6° | 160.3° |
| H12 | C17 | C16 | H31 | 8.3° | 20.3° |
| H13 | C17 | C16 | H31 | 129.4° | 102.2° |
| H14 | C20 | H15 | H16 | 119.9° | 120.0° |
| H17 | C23 | C24 | H18 | 0.4° | 0.1° |
| H20 | C29 | C30 | H22 | 59.6° | 60.0° |
| H20 | C29 | C30 | H23 | 179.6° | 180.0° |
| H20 | C29 | C30 | H24 | 60.4° | 60.0° |
| H21 | C29 | C30 | H22 | 59.6° | 60.0° |
| H21 | C29 | C30 | H23 | 60.4° | 60.1° |
| H21 | C29 | C30 | H24 | 179.6° | 179.9° |
| H22 | C30 | H23 | H24 | 120.0° | 119.9° |
| H25 | C33 | C34 | H26 | 0.0° | 0.1° |
| H26 | C34 | C35 | H27 | 0.0° | 0.0° |
| H27 | C35 | C36 | H28 | 0.0° | 0.7° |
| H30 | C15 | C16 | H31 | 3.8° | 36.7° |
