R28
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | C39 | sing | 1.53Å | 1.53Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C39 | O38 | sing | 1.45Å | 1.40Å | |
| O38 | C37 | sing | 1.35Å | 1.40Å | |
| C06 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | N23 | sing | 1.47Å | 1.46Å | |
| C33 | O32 | sing | 1.43Å | 1.40Å | |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.42Å | Aromatic |
| O32 | C31 | sing | 1.36Å | 1.40Å | |
| C37 | C36 | sing | 1.47Å | 1.53Å | |
| C37 | O42 | doub | 1.22Å | 1.18Å | |
| C08 | C03 | doub | 1.39Å | 1.42Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.38Å | Aromatic |
| C04 | C09 | sing | 1.47Å | 1.42Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C36 | C35 | doub | 1.40Å | 1.40Å | Aromatic |
| C36 | C10 | sing | 1.42Å | 1.40Å | Aromatic |
| C03 | N02 | sing | 1.38Å | 1.37Å | Aromatic |
| C35 | N34 | sing | 1.32Å | 1.32Å | Aromatic |
| C31 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.47Å | 1.55Å | |
| C09 | C43 | doub | 1.36Å | 1.39Å | Aromatic |
| C10 | N11 | doub | 1.33Å | 1.33Å | Aromatic |
| N23 | C22 | sing | 1.40Å | 1.46Å | |
| N23 | C25 | sing | 1.47Å | 1.46Å | |
| N34 | C12 | doub | 1.33Å | 1.32Å | Aromatic |
| N02 | C43 | sing | 1.36Å | 1.33Å | Aromatic |
| N02 | C01 | sing | 1.46Å | 1.46Å | |
| C22 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| N11 | C12 | sing | 1.33Å | 1.32Å | Aromatic |
| C12 | N13 | sing | 1.38Å | 1.46Å | |
| C14 | N13 | sing | 1.40Å | 1.46Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | N17 | sing | 1.40Å | 1.45Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | N27 | sing | 1.47Å | 1.45Å | |
| N17 | C18 | sing | 1.35Å | 1.46Å | |
| N27 | C28 | sing | 1.47Å | 1.45Å | |
| N27 | C29 | sing | 1.47Å | 1.45Å | |
| C18 | O21 | doub | 1.21Å | 1.19Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.08Å | 1.08Å | |
| C06 | H17 | sing | 1.08Å | 1.08Å | |
| C07 | H18 | sing | 1.08Å | 1.08Å | |
| C08 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.08Å | 1.08Å | |
| C39 | H32 | sing | 1.09Å | 1.10Å | |
| C40 | H33 | sing | 1.09Å | 1.10Å | |
| C40 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C41 | H36 | sing | 1.09Å | 1.10Å | |
| C41 | H37 | sing | 1.09Å | 1.10Å | |
| C41 | H38 | sing | 1.09Å | 1.10Å | |
| C43 | H39 | sing | 1.08Å | 1.08Å | |
| N13 | H40 | sing | 0.97Å | 1.00Å | |
| N17 | H41 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C41 | C39 | C40 | 112.6° | 109.5° |
| C41 | C39 | O38 | 107.6° | 109.5° |
| C41 | C39 | H32 | 109.0° | 109.5° |
| C39 | C41 | H36 | 109.5° | 109.5° |
| C39 | C41 | H37 | 109.5° | 109.5° |
| C39 | C41 | H38 | 109.4° | 109.5° |
| C40 | C39 | O38 | 107.9° | 109.5° |
| C40 | C39 | H32 | 109.0° | 109.5° |
| C39 | C40 | H33 | 109.5° | 109.5° |
| C39 | C40 | H34 | 109.5° | 109.5° |
| C39 | C40 | H35 | 109.5° | 109.5° |
| C39 | O38 | C37 | 114.4° | 117.0° |
| O38 | C39 | H32 | 110.8° | 109.5° |
| O38 | C37 | C36 | 120.6° | 120.0° |
| O38 | C37 | O42 | 119.9° | 120.0° |
| C07 | C06 | C05 | 120.1° | 120.3° |
| C06 | C07 | C08 | 119.9° | 120.6° |
| C07 | C06 | H17 | 120.0° | 119.8° |
| C06 | C07 | H18 | 120.1° | 119.7° |
| C06 | C05 | C04 | 120.2° | 119.7° |
| C06 | C05 | H16 | 119.9° | 120.2° |
| C05 | C06 | H17 | 119.9° | 119.9° |
| C24 | N23 | C22 | 112.0° | 111.0° |
| C24 | N23 | C25 | 111.2° | 111.0° |
| N23 | C24 | H5 | 109.5° | 109.5° |
| N23 | C24 | H6 | 109.4° | 109.5° |
| N23 | C24 | H7 | 109.4° | 109.5° |
| C33 | O32 | C31 | 114.3° | 117.0° |
| O32 | C33 | H28 | 109.5° | 109.5° |
| O32 | C33 | H29 | 109.5° | 109.5° |
| O32 | C33 | H30 | 109.5° | 109.5° |
| C07 | C08 | C03 | 120.1° | 119.9° |
| C08 | C07 | H18 | 120.1° | 119.7° |
| C07 | C08 | H19 | 120.0° | 120.0° |
| C05 | C04 | C03 | 119.5° | 120.1° |
| C05 | C04 | C09 | 134.0° | 134.0° |
| C04 | C05 | H16 | 119.9° | 120.2° |
| O32 | C31 | C30 | 121.0° | 120.0° |
| O32 | C31 | C14 | 119.0° | 119.9° |
| C36 | C37 | O42 | 119.5° | 120.0° |
| C37 | C36 | C35 | 118.8° | 121.0° |
| C37 | C36 | C10 | 123.9° | 121.0° |
| C08 | C03 | C04 | 120.2° | 119.3° |
| C08 | C03 | N02 | 131.5° | 133.2° |
| C03 | C08 | H19 | 120.0° | 120.0° |
| C03 | C04 | C09 | 106.5° | 105.9° |
| C04 | C03 | N02 | 108.3° | 107.5° |
| C04 | C09 | C10 | 126.0° | 126.7° |
| C04 | C09 | C43 | 106.8° | 106.5° |
| C31 | C30 | C22 | 120.3° | 119.9° |
| C30 | C31 | C14 | 120.0° | 120.1° |
| C31 | C30 | H27 | 119.8° | 120.0° |
| C30 | C22 | N23 | 120.5° | 119.9° |
| C30 | C22 | C16 | 120.0° | 120.0° |
| C22 | C30 | H27 | 119.9° | 120.0° |
| C35 | C36 | C10 | 117.3° | 118.0° |
| C36 | C35 | N34 | 121.0° | 119.2° |
| C36 | C35 | H31 | 119.5° | 120.4° |
| C36 | C10 | C09 | 124.1° | 120.6° |
| C36 | C10 | N11 | 118.2° | 118.8° |
| C03 | N02 | C43 | 109.9° | 110.3° |
| C03 | N02 | C01 | 125.1° | 124.9° |
| C35 | N34 | C12 | 119.6° | 121.2° |
| N34 | C35 | H31 | 119.5° | 120.4° |
| C31 | C14 | N13 | 118.6° | 120.0° |
| C31 | C14 | C15 | 119.8° | 120.0° |
| C10 | C09 | C43 | 127.2° | 126.8° |
| C09 | C10 | N11 | 117.6° | 120.6° |
| C09 | C43 | N02 | 108.5° | 109.7° |
| C09 | C43 | H39 | 125.7° | 125.1° |
| C10 | N11 | C12 | 122.2° | 120.7° |
| C22 | N23 | C25 | 111.8° | 111.0° |
| N23 | C22 | C16 | 119.5° | 120.0° |
| N23 | C25 | C26 | 112.3° | 109.5° |
| N23 | C25 | H22 | 108.8° | 109.4° |
| N23 | C25 | H23 | 108.8° | 109.4° |
| N34 | C12 | N11 | 121.7° | 122.1° |
| N34 | C12 | N13 | 118.0° | 119.0° |
| C43 | N02 | C01 | 125.0° | 124.8° |
| N02 | C43 | H39 | 125.7° | 125.2° |
| N02 | C01 | H13 | 109.5° | 109.5° |
| N02 | C01 | H14 | 109.5° | 109.5° |
| N02 | C01 | H15 | 109.5° | 109.4° |
| C22 | C16 | C15 | 119.6° | 120.0° |
| C22 | C16 | N17 | 118.6° | 120.0° |
| N11 | C12 | N13 | 120.4° | 118.9° |
| C12 | N13 | C14 | 123.3° | 120.0° |
| C12 | N13 | H40 | 118.3° | 120.0° |
| N13 | C14 | C15 | 121.6° | 120.0° |
| C14 | N13 | H40 | 118.4° | 120.0° |
| C14 | C15 | C16 | 120.4° | 120.0° |
| C14 | C15 | H1 | 119.8° | 120.0° |
| C15 | C16 | N17 | 121.9° | 120.0° |
| C16 | C15 | H1 | 119.8° | 120.0° |
| C16 | N17 | C18 | 127.4° | 120.0° |
| C16 | N17 | H41 | 116.3° | 120.0° |
| C25 | C26 | N27 | 111.1° | 109.4° |
| C25 | C26 | H8 | 109.1° | 109.5° |
| C25 | C26 | H9 | 109.1° | 109.5° |
| C26 | C25 | H22 | 108.7° | 109.5° |
| C26 | C25 | H23 | 108.8° | 109.5° |
| C26 | N27 | C28 | 108.7° | 111.0° |
| C26 | N27 | C29 | 110.1° | 111.0° |
| N27 | C26 | H8 | 109.1° | 109.4° |
| N27 | C26 | H9 | 109.1° | 109.5° |
| N17 | C18 | O21 | 122.6° | 120.0° |
| N17 | C18 | C19 | 118.1° | 120.0° |
| C18 | N17 | H41 | 116.3° | 120.0° |
| C28 | N27 | C29 | 109.8° | 111.0° |
| N27 | C28 | H10 | 109.5° | 109.5° |
| N27 | C28 | H11 | 109.5° | 109.5° |
| N27 | C28 | H12 | 109.5° | 109.5° |
| N27 | C29 | H24 | 109.5° | 109.4° |
| N27 | C29 | H25 | 109.5° | 109.5° |
| N27 | C29 | H26 | 109.4° | 109.5° |
| O21 | C18 | C19 | 119.4° | 120.0° |
| C18 | C19 | C20 | 111.7° | 109.5° |
| C18 | C19 | H20 | 108.9° | 109.5° |
| C18 | C19 | H21 | 108.9° | 109.5° |
| C19 | C20 | H2 | 109.5° | 109.5° |
| C19 | C20 | H3 | 109.5° | 109.4° |
| C19 | C20 | H4 | 109.5° | 109.5° |
| C20 | C19 | H20 | 108.9° | 109.5° |
| C20 | C19 | H21 | 108.9° | 109.4° |
| H2 | C20 | H3 | 109.4° | 109.5° |
| H2 | C20 | H4 | 109.5° | 109.5° |
| H3 | C20 | H4 | 109.5° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H5 | C24 | H7 | 109.5° | 109.5° |
| H6 | C24 | H7 | 109.5° | 109.4° |
| H8 | C26 | H9 | 109.5° | 109.5° |
| H10 | C28 | H11 | 109.5° | 109.4° |
| H10 | C28 | H12 | 109.4° | 109.5° |
| H11 | C28 | H12 | 109.5° | 109.5° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H13 | C01 | H15 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.4° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H24 | C29 | H25 | 109.5° | 109.5° |
| H24 | C29 | H26 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.5° | 109.5° |
| H28 | C33 | H29 | 109.5° | 109.5° |
| H28 | C33 | H30 | 109.5° | 109.5° |
| H29 | C33 | H30 | 109.4° | 109.4° |
| H33 | C40 | H34 | 109.5° | 109.5° |
| H33 | C40 | H35 | 109.4° | 109.4° |
| H34 | C40 | H35 | 109.5° | 109.5° |
| H36 | C41 | H37 | 109.5° | 109.4° |
| H36 | C41 | H38 | 109.5° | 109.5° |
| H37 | C41 | H38 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C41 | C39 | C40 | O38 | 118.6° | 120.0° |
| C41 | C39 | C40 | H32 | 121.0° | 120.0° |
| C41 | C39 | O38 | H32 | 119.1° | 120.0° |
| C41 | C39 | O38 | C37 | 107.9° | 150.0° |
| C41 | C39 | C40 | H33 | 180.0° | 180.0° |
| C41 | C39 | C40 | H34 | 60.0° | 60.0° |
| C41 | C39 | C40 | H35 | 60.0° | 60.0° |
| C39 | C41 | H36 | H37 | 120.0° | 120.1° |
| C39 | C41 | H36 | H38 | 120.0° | 120.0° |
| C39 | C41 | H37 | H38 | 120.0° | 120.0° |
| C40 | C39 | O38 | H32 | 119.2° | 120.0° |
| C40 | C39 | O38 | C37 | 130.3° | 90.0° |
| C39 | C40 | H33 | H34 | 120.0° | 120.0° |
| C39 | C40 | H33 | H35 | 120.0° | 120.0° |
| C39 | C40 | H34 | H35 | 120.0° | 120.0° |
| C40 | C39 | C41 | H36 | 180.0° | 60.0° |
| C40 | C39 | C41 | H37 | 60.0° | 180.0° |
| C40 | C39 | C41 | H38 | 60.0° | 60.0° |
| C39 | O38 | C37 | C36 | 173.1° | 180.0° |
| C39 | O38 | C37 | O42 | 6.4° | 0.0° |
| O38 | C39 | C40 | H33 | 61.4° | 60.0° |
| O38 | C39 | C40 | H34 | 178.6° | 60.0° |
| O38 | C39 | C40 | H35 | 58.6° | 180.0° |
| O38 | C39 | C41 | H36 | 61.2° | 60.0° |
| O38 | C39 | C41 | H37 | 58.8° | 60.0° |
| O38 | C39 | C41 | H38 | 178.8° | 180.0° |
| O38 | C37 | C36 | O42 | 179.5° | 180.0° |
| O38 | C37 | C36 | C35 | 134.0° | 5.9° |
| O38 | C37 | C36 | C10 | 45.9° | 174.1° |
| C37 | O38 | C39 | H32 | 11.1° | 30.0° |
| C07 | C06 | C05 | H17 | 180.0° | 179.7° |
| C06 | C07 | C08 | H18 | 180.0° | 179.7° |
| C07 | C06 | C05 | C04 | 0.0° | 0.1° |
| C06 | C07 | C08 | C03 | 0.0° | 0.6° |
| C07 | C06 | C05 | H16 | 180.0° | 180.0° |
| C06 | C07 | C08 | H19 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.1° | 0.3° |
| C06 | C05 | C04 | H16 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 0.0° | 0.1° |
| C06 | C05 | C04 | C09 | 179.5° | 179.9° |
| C05 | C06 | C07 | H18 | 179.9° | 180.0° |
| C24 | N23 | C22 | C30 | 30.6° | 63.9° |
| C24 | N23 | C22 | C25 | 125.6° | 124.0° |
| C24 | N23 | C22 | C16 | 148.9° | 116.0° |
| C24 | N23 | C25 | C26 | 50.2° | 66.0° |
| N23 | C24 | H5 | H6 | 120.0° | 120.1° |
| N23 | C24 | H5 | H7 | 120.0° | 120.0° |
| N23 | C24 | H6 | H7 | 119.9° | 120.0° |
| C24 | N23 | C25 | H22 | 170.6° | 174.0° |
| C24 | N23 | C25 | H23 | 70.3° | 54.0° |
| C33 | O32 | C31 | C30 | 12.5° | 0.1° |
| C33 | O32 | C31 | C14 | 168.0° | 179.7° |
| O32 | C33 | H28 | H29 | 120.0° | 120.0° |
| O32 | C33 | H28 | H30 | 120.0° | 120.0° |
| O32 | C33 | H29 | H30 | 120.0° | 120.0° |
| C07 | C08 | C03 | H19 | 180.0° | 179.4° |
| C07 | C08 | C03 | C04 | 0.1° | 0.6° |
| C07 | C08 | C03 | N02 | 180.0° | 179.8° |
| C08 | C07 | C06 | H17 | 179.9° | 180.0° |
| C05 | C04 | C03 | C08 | 0.1° | 0.3° |
| C05 | C04 | C03 | C09 | 179.6° | 179.9° |
| C05 | C04 | C03 | N02 | 180.0° | 180.0° |
| C05 | C04 | C09 | C10 | 1.6° | 0.1° |
| C05 | C04 | C09 | C43 | 179.6° | 180.0° |
| C04 | C05 | C06 | H17 | 179.9° | 179.8° |
| O32 | C31 | C30 | C14 | 179.5° | 179.6° |
| O32 | C31 | C30 | C22 | 179.8° | 180.0° |
| O32 | C31 | C14 | N13 | 0.6° | 0.3° |
| O32 | C31 | C14 | C15 | 179.6° | 179.6° |
| O32 | C31 | C30 | H27 | 0.2° | 0.4° |
| C31 | O32 | C33 | H28 | 180.0° | 60.0° |
| C31 | O32 | C33 | H29 | 60.0° | 180.0° |
| C31 | O32 | C33 | H30 | 60.0° | 60.0° |
| C37 | C36 | C35 | C10 | 179.8° | 180.0° |
| C37 | C36 | C35 | N34 | 179.5° | 179.5° |
| C37 | C36 | C10 | C09 | 1.1° | 0.3° |
| C37 | C36 | C10 | N11 | 180.0° | 180.0° |
| C37 | C36 | C35 | H31 | 0.5° | 0.2° |
| O42 | C37 | C36 | C35 | 45.5° | 174.0° |
| O42 | C37 | C36 | C10 | 134.7° | 5.9° |
| C08 | C03 | C04 | N02 | 180.0° | 179.7° |
| C08 | C03 | C04 | C09 | 179.5° | 179.8° |
| C08 | C03 | N02 | C43 | 179.9° | 179.7° |
| C08 | C03 | N02 | C01 | 0.0° | 0.3° |
| C03 | C08 | C07 | H18 | 180.0° | 179.8° |
| C03 | C04 | C09 | C10 | 178.8° | 180.0° |
| C03 | C04 | C09 | C43 | 0.8° | 0.1° |
| C04 | C03 | N02 | C43 | 0.2° | 0.0° |
| C04 | C03 | N02 | C01 | 179.9° | 180.0° |
| C03 | C04 | C05 | H16 | 179.9° | 180.0° |
| C04 | C03 | C08 | H19 | 179.9° | 180.0° |
| C04 | C09 | C10 | C36 | 148.8° | 113.0° |
| C09 | C04 | C03 | N02 | 0.4° | 0.1° |
| C04 | C09 | C10 | C43 | 177.6° | 179.9° |
| C04 | C09 | C10 | N11 | 32.4° | 66.7° |
| C04 | C09 | C43 | N02 | 1.0° | 0.0° |
| C09 | C04 | C05 | H16 | 0.5° | 0.2° |
| C04 | C09 | C43 | H39 | 179.0° | 180.0° |
| C31 | C30 | C22 | H27 | 180.0° | 179.6° |
| C31 | C30 | C22 | N23 | 180.0° | 179.7° |
| C31 | C30 | C22 | C16 | 0.4° | 0.3° |
| C30 | C31 | C14 | N13 | 180.0° | 179.9° |
| C30 | C31 | C14 | C15 | 0.9° | 0.0° |
| C22 | C30 | C31 | C14 | 0.7° | 0.3° |
| C30 | C22 | N23 | C16 | 179.6° | 180.0° |
| C30 | C22 | N23 | C25 | 95.0° | 60.0° |
| C30 | C22 | C16 | C15 | 0.3° | 0.0° |
| C30 | C22 | C16 | N17 | 179.6° | 180.0° |
| C36 | C35 | N34 | H31 | 180.0° | 179.3° |
| C35 | C36 | C10 | C09 | 179.0° | 179.7° |
| C35 | C36 | C10 | N11 | 0.2° | 0.0° |
| C36 | C35 | N34 | C12 | 0.5° | 0.8° |
| C10 | C36 | C35 | N34 | 0.4° | 0.5° |
| C36 | C10 | C09 | N11 | 178.8° | 179.7° |
| C36 | C10 | C09 | C43 | 33.6° | 67.1° |
| C36 | C10 | N11 | C12 | 0.6° | 0.2° |
| C10 | C36 | C35 | H31 | 179.6° | 179.7° |
| C03 | N02 | C43 | C09 | 0.7° | 0.0° |
| C03 | N02 | C43 | C01 | 179.9° | 180.0° |
| C03 | N02 | C01 | H13 | 180.0° | 90.0° |
| C03 | N02 | C01 | H14 | 60.0° | 150.0° |
| C03 | N02 | C01 | H15 | 60.0° | 30.0° |
| N02 | C03 | C08 | H19 | 0.0° | 0.4° |
| C03 | N02 | C43 | H39 | 179.3° | 180.0° |
| C35 | N34 | C12 | N11 | 0.1° | 0.5° |
| C35 | N34 | C12 | N13 | 179.2° | 179.5° |
| C31 | C14 | N13 | C12 | 131.9° | 149.6° |
| C31 | C14 | N13 | C15 | 179.0° | 179.9° |
| C31 | C14 | C15 | C16 | 0.8° | 0.3° |
| C31 | C14 | C15 | H1 | 179.2° | 180.0° |
| C14 | C31 | C30 | H27 | 179.3° | 180.0° |
| C31 | C14 | N13 | H40 | 48.1° | 30.4° |
| C10 | C09 | C43 | N02 | 178.9° | 180.0° |
| C09 | C10 | N11 | C12 | 179.5° | 180.0° |
| C10 | C09 | C43 | H39 | 1.1° | 0.1° |
| C43 | C09 | C10 | N11 | 145.2° | 113.2° |
| C09 | C43 | N02 | H39 | 180.0° | 179.9° |
| C09 | C43 | N02 | C01 | 179.4° | 180.0° |
| C10 | N11 | C12 | N34 | 0.5° | 0.0° |
| C10 | N11 | C12 | N13 | 179.8° | 180.0° |
| N23 | C22 | C16 | C15 | 179.9° | 180.0° |
| N23 | C22 | C16 | N17 | 0.1° | 0.1° |
| C22 | N23 | C25 | C26 | 75.9° | 170.0° |
| C22 | N23 | C24 | H5 | 180.0° | 60.0° |
| C22 | N23 | C24 | H6 | 60.0° | 180.0° |
| C22 | N23 | C24 | H7 | 60.0° | 60.0° |
| C22 | N23 | C25 | H22 | 44.5° | 50.0° |
| C22 | N23 | C25 | H23 | 163.7° | 70.0° |
| N23 | C22 | C30 | H27 | 0.1° | 0.1° |
| C25 | N23 | C22 | C16 | 85.5° | 120.0° |
| N23 | C25 | C26 | H22 | 120.4° | 120.0° |
| N23 | C25 | C26 | H23 | 120.4° | 120.0° |
| N23 | C25 | C26 | N27 | 127.3° | 180.0° |
| C25 | N23 | C24 | H5 | 54.0° | 64.0° |
| C25 | N23 | C24 | H6 | 174.1° | 56.0° |
| C25 | N23 | C24 | H7 | 66.0° | 176.0° |
| N23 | C25 | C26 | H8 | 7.1° | 60.0° |
| N23 | C25 | C26 | H9 | 112.4° | 60.0° |
| N23 | C25 | H22 | H23 | 118.7° | 120.0° |
| N34 | C12 | N11 | N13 | 179.3° | 180.0° |
| N34 | C12 | N13 | C14 | 160.6° | 6.0° |
| C12 | N34 | C35 | H31 | 179.5° | 180.0° |
| N34 | C12 | N13 | H40 | 19.4° | 174.1° |
| C43 | N02 | C01 | H13 | 0.1° | 90.0° |
| C43 | N02 | C01 | H14 | 120.1° | 30.0° |
| C43 | N02 | C01 | H15 | 119.9° | 150.0° |
| N02 | C01 | H13 | H14 | 120.0° | 120.0° |
| N02 | C01 | H13 | H15 | 120.0° | 120.0° |
| N02 | C01 | H14 | H15 | 120.0° | 120.0° |
| C01 | N02 | C43 | H39 | 0.6° | 0.0° |
| C22 | C16 | C15 | C14 | 0.5° | 0.3° |
| C22 | C16 | C15 | N17 | 179.9° | 179.9° |
| C22 | C16 | N17 | C18 | 175.6° | 147.7° |
| C22 | C16 | C15 | H1 | 179.5° | 180.0° |
| C16 | C22 | C30 | H27 | 179.6° | 180.0° |
| C22 | C16 | N17 | H41 | 4.3° | 32.3° |
| N11 | C12 | N13 | C14 | 20.0° | 174.0° |
| N11 | C12 | N13 | H40 | 160.0° | 5.9° |
| C12 | N13 | C14 | H40 | 180.0° | 179.9° |
| C12 | N13 | C14 | C15 | 49.1° | 30.3° |
| N13 | C14 | C15 | C16 | 179.8° | 179.8° |
| N13 | C14 | C15 | H1 | 0.2° | 0.1° |
| C14 | C15 | C16 | H1 | 180.0° | 179.7° |
| C14 | C15 | C16 | N17 | 179.4° | 179.7° |
| C15 | C14 | N13 | H40 | 130.9° | 149.6° |
| C15 | C16 | N17 | C18 | 4.5° | 32.2° |
| C15 | C16 | N17 | H41 | 175.6° | 147.8° |
| C16 | N17 | C18 | H41 | 180.0° | 180.0° |
| C16 | N17 | C18 | O21 | 8.5° | 4.4° |
| C16 | N17 | C18 | C19 | 172.0° | 175.6° |
| N17 | C16 | C15 | H1 | 0.6° | 0.1° |
| C25 | C26 | N27 | H8 | 120.2° | 120.0° |
| C25 | C26 | N27 | H9 | 120.2° | 120.0° |
| C25 | C26 | N27 | C28 | 173.8° | 170.0° |
| C25 | C26 | N27 | C29 | 53.5° | 66.1° |
| C25 | C26 | H8 | H9 | 119.3° | 120.1° |
| C26 | C25 | H22 | H23 | 118.7° | 120.0° |
| C26 | N27 | C28 | C29 | 120.5° | 123.9° |
| N27 | C26 | H8 | H9 | 119.3° | 120.0° |
| C26 | N27 | C28 | H10 | 180.0° | 60.0° |
| C26 | N27 | C28 | H11 | 60.0° | 179.9° |
| C26 | N27 | C28 | H12 | 60.0° | 60.0° |
| N27 | C26 | C25 | H22 | 112.3° | 60.0° |
| N27 | C26 | C25 | H23 | 6.9° | 60.0° |
| C26 | N27 | C29 | H24 | 180.0° | 60.0° |
| C26 | N27 | C29 | H25 | 60.0° | 180.0° |
| C26 | N27 | C29 | H26 | 60.0° | 60.0° |
| N17 | C18 | O21 | C19 | 179.5° | 180.0° |
| N17 | C18 | C19 | C20 | 131.7° | 180.0° |
| N17 | C18 | C19 | H20 | 108.0° | 60.0° |
| N17 | C18 | C19 | H21 | 11.3° | 60.0° |
| C28 | N27 | C26 | H8 | 66.0° | 50.0° |
| C28 | N27 | C26 | H9 | 53.6° | 70.0° |
| N27 | C28 | H10 | H11 | 120.0° | 120.0° |
| N27 | C28 | H10 | H12 | 120.0° | 120.0° |
| N27 | C28 | H11 | H12 | 120.0° | 120.0° |
| C28 | N27 | C29 | H24 | 60.4° | 176.0° |
| C28 | N27 | C29 | H25 | 59.6° | 56.0° |
| C28 | N27 | C29 | H26 | 179.6° | 64.0° |
| C29 | N27 | C26 | H8 | 173.7° | 173.9° |
| C29 | N27 | C26 | H9 | 66.8° | 53.9° |
| C29 | N27 | C28 | H10 | 59.4° | 63.9° |
| C29 | N27 | C28 | H11 | 179.5° | 56.0° |
| C29 | N27 | C28 | H12 | 60.5° | 176.0° |
| N27 | C29 | H24 | H25 | 120.0° | 120.0° |
| N27 | C29 | H24 | H26 | 120.0° | 120.0° |
| N27 | C29 | H25 | H26 | 120.0° | 120.0° |
| O21 | C18 | C19 | C20 | 48.8° | 0.0° |
| O21 | C18 | C19 | H20 | 71.6° | 120.0° |
| O21 | C18 | C19 | H21 | 169.1° | 120.0° |
| O21 | C18 | N17 | H41 | 171.5° | 175.6° |
| C18 | C19 | C20 | H20 | 120.4° | 120.1° |
| C18 | C19 | C20 | H21 | 120.4° | 120.0° |
| C18 | C19 | C20 | H2 | 180.0° | 180.0° |
| C18 | C19 | C20 | H3 | 60.0° | 60.0° |
| C18 | C19 | C20 | H4 | 60.0° | 60.0° |
| C18 | C19 | H20 | H21 | 119.0° | 120.0° |
| C19 | C18 | N17 | H41 | 8.0° | 4.4° |
| C19 | C20 | H2 | H3 | 120.0° | 119.9° |
| C19 | C20 | H2 | H4 | 120.0° | 120.1° |
| C19 | C20 | H3 | H4 | 120.0° | 120.0° |
| C20 | C19 | H20 | H21 | 118.9° | 119.9° |
| H2 | C20 | H3 | H4 | 120.0° | 120.0° |
| H2 | C20 | C19 | H20 | 59.7° | 59.9° |
| H2 | C20 | C19 | H21 | 59.6° | 60.0° |
| H3 | C20 | C19 | H20 | 179.7° | 60.1° |
| H3 | C20 | C19 | H21 | 60.4° | 180.0° |
| H4 | C20 | C19 | H20 | 60.3° | 179.9° |
| H4 | C20 | C19 | H21 | 179.6° | 60.0° |
| H5 | C24 | H6 | H7 | 120.1° | 119.9° |
| H8 | C26 | C25 | H22 | 127.5° | 59.9° |
| H8 | C26 | C25 | H23 | 113.3° | 180.0° |
| H9 | C26 | C25 | H22 | 8.0° | 180.0° |
| H9 | C26 | C25 | H23 | 127.1° | 59.9° |
| H10 | C28 | H11 | H12 | 120.0° | 120.0° |
| H13 | C01 | H14 | H15 | 120.0° | 120.0° |
| H16 | C05 | C06 | H17 | 0.0° | 0.3° |
| H17 | C06 | C07 | H18 | 0.1° | 0.3° |
| H18 | C07 | C08 | H19 | 0.0° | 0.4° |
| H24 | C29 | H25 | H26 | 120.0° | 120.0° |
| H28 | C33 | H29 | H30 | 120.0° | 120.0° |
| H32 | C39 | C40 | H33 | 59.0° | 60.0° |
| H32 | C39 | C40 | H34 | 61.0° | 180.0° |
| H32 | C39 | C40 | H35 | 178.9° | 60.0° |
| H32 | C39 | C41 | H36 | 59.0° | 180.0° |
| H32 | C39 | C41 | H37 | 179.0° | 60.0° |
| H32 | C39 | C41 | H38 | 61.0° | 60.0° |
| H33 | C40 | H34 | H35 | 119.9° | 120.0° |
| H36 | C41 | H37 | H38 | 120.0° | 120.0° |
