R1H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C44 | O43 | sing | 1.43Å | 1.39Å | |
| O43 | C27 | sing | 1.36Å | 1.41Å | |
| O45 | C46 | sing | 1.43Å | 1.41Å | |
| O45 | C26 | sing | 1.36Å | 1.41Å | |
| C27 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C29 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C29 | N30 | sing | 1.39Å | 1.48Å | |
| O32 | C31 | doub | 1.22Å | 1.17Å | |
| C24 | C22 | sing | 1.47Å | 1.56Å | |
| C31 | N30 | sing | 1.35Å | 1.48Å | |
| C31 | C33 | sing | 1.48Å | 1.55Å | |
| C22 | N21 | sing | 1.35Å | 1.46Å | |
| C22 | O23 | doub | 1.22Å | 1.17Å | |
| C33 | C34 | doub | 1.39Å | 1.36Å | Aromatic |
| C33 | C42 | sing | 1.41Å | 1.40Å | Aromatic |
| N21 | C18 | sing | 1.40Å | 1.49Å | |
| C34 | C35 | sing | 1.41Å | 1.41Å | Aromatic |
| C42 | N41 | doub | 1.31Å | 1.36Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.40Å | 1.43Å | Aromatic |
| C35 | C40 | sing | 1.42Å | 1.35Å | Aromatic |
| N41 | C40 | sing | 1.34Å | 1.38Å | Aromatic |
| C36 | C37 | sing | 1.36Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C39 | doub | 1.40Å | 1.43Å | Aromatic |
| C37 | C38 | doub | 1.39Å | 1.40Å | Aromatic |
| C39 | C38 | sing | 1.36Å | 1.39Å | Aromatic |
| C20 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.56Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C10 | C09 | sing | 1.53Å | 1.57Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C13 | N08 | sing | 1.47Å | 1.30Å | |
| C12 | C11 | doub | 1.39Å | 1.43Å | Aromatic |
| C12 | C03 | sing | 1.38Å | 1.37Å | Aromatic |
| C09 | N08 | sing | 1.47Å | 1.38Å | |
| O02 | C03 | sing | 1.36Å | 1.40Å | |
| O02 | C01 | sing | 1.43Å | 1.40Å | |
| C11 | C06 | sing | 1.38Å | 1.30Å | Aromatic |
| N08 | C07 | sing | 1.47Å | 1.36Å | |
| C03 | C04 | doub | 1.39Å | 1.37Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.50Å | |
| C06 | C05 | doub | 1.39Å | 1.45Å | Aromatic |
| C48 | O47 | sing | 1.43Å | 1.42Å | |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | O47 | sing | 1.36Å | 1.42Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.08Å | 1.08Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C34 | H22 | sing | 1.08Å | 1.08Å | |
| C36 | H23 | sing | 1.08Å | 1.08Å | |
| C37 | H24 | sing | 1.08Å | 1.08Å | |
| C38 | H25 | sing | 1.08Å | 1.08Å | |
| C39 | H26 | sing | 1.08Å | 1.08Å | |
| C42 | H27 | sing | 1.08Å | 1.08Å | |
| C44 | H28 | sing | 1.09Å | 1.10Å | |
| C44 | H29 | sing | 1.09Å | 1.10Å | |
| C44 | H30 | sing | 1.09Å | 1.10Å | |
| C46 | H31 | sing | 1.09Å | 1.10Å | |
| C46 | H32 | sing | 1.09Å | 1.10Å | |
| C46 | H33 | sing | 1.09Å | 1.10Å | |
| C48 | H34 | sing | 1.09Å | 1.10Å | |
| C48 | H35 | sing | 1.09Å | 1.10Å | |
| C48 | H36 | sing | 1.09Å | 1.10Å | |
| N21 | H38 | sing | 0.97Å | 1.00Å | |
| N30 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C44 | O43 | C27 | 115.1° | 117.0° |
| O43 | C44 | H28 | 109.5° | 109.4° |
| O43 | C44 | H29 | 109.5° | 109.5° |
| O43 | C44 | H30 | 109.4° | 109.5° |
| O43 | C27 | C26 | 122.2° | 119.9° |
| O43 | C27 | C28 | 118.1° | 119.9° |
| C46 | O45 | C26 | 113.1° | 117.0° |
| O45 | C46 | H31 | 109.5° | 109.5° |
| O45 | C46 | H32 | 109.5° | 109.4° |
| O45 | C46 | H33 | 109.5° | 109.5° |
| O45 | C26 | C27 | 123.2° | 119.9° |
| O45 | C26 | C25 | 117.1° | 119.9° |
| C26 | C27 | C28 | 119.7° | 120.3° |
| C27 | C26 | C25 | 119.7° | 120.2° |
| C27 | C28 | C29 | 120.3° | 120.1° |
| C27 | C28 | H7 | 119.9° | 120.0° |
| C26 | C25 | C24 | 120.1° | 120.0° |
| C26 | C25 | H21 | 119.9° | 120.0° |
| C28 | C29 | C24 | 119.5° | 119.8° |
| C28 | C29 | N30 | 122.7° | 120.1° |
| C29 | C28 | H7 | 119.9° | 120.0° |
| C25 | C24 | C29 | 120.8° | 119.7° |
| C25 | C24 | C22 | 120.3° | 120.2° |
| C24 | C25 | H21 | 120.0° | 120.0° |
| C24 | C29 | N30 | 117.9° | 120.1° |
| C29 | C24 | C22 | 119.0° | 120.1° |
| C29 | N30 | C31 | 124.1° | 120.0° |
| C29 | N30 | H39 | 117.9° | 120.0° |
| O32 | C31 | N30 | 121.6° | 120.0° |
| O32 | C31 | C33 | 120.4° | 120.0° |
| C24 | C22 | N21 | 120.2° | 120.0° |
| C24 | C22 | O23 | 118.6° | 120.0° |
| N30 | C31 | C33 | 118.1° | 120.0° |
| C31 | N30 | H39 | 118.0° | 120.0° |
| C31 | C33 | C34 | 120.5° | 120.3° |
| C31 | C33 | C42 | 119.6° | 120.3° |
| N21 | C22 | O23 | 121.2° | 120.0° |
| C22 | N21 | C18 | 121.3° | 120.0° |
| C22 | N21 | H38 | 119.4° | 120.0° |
| C34 | C33 | C42 | 119.9° | 119.4° |
| C33 | C34 | C35 | 119.6° | 118.0° |
| C33 | C34 | H22 | 120.2° | 121.0° |
| C33 | C42 | N41 | 120.0° | 121.6° |
| C33 | C42 | H27 | 120.0° | 119.3° |
| N21 | C18 | C19 | 119.5° | 120.1° |
| N21 | C18 | C17 | 121.3° | 120.1° |
| C18 | N21 | H38 | 119.3° | 120.0° |
| C34 | C35 | C36 | 120.4° | 121.3° |
| C34 | C35 | C40 | 119.5° | 119.1° |
| C35 | C34 | H22 | 120.2° | 121.0° |
| C42 | N41 | C40 | 119.9° | 121.7° |
| N41 | C42 | H27 | 120.0° | 119.2° |
| C19 | C18 | C17 | 119.1° | 119.8° |
| C18 | C19 | C20 | 120.1° | 119.9° |
| C18 | C19 | H20 | 120.0° | 120.0° |
| C18 | C17 | C16 | 121.0° | 119.9° |
| C18 | C17 | H5 | 119.5° | 120.0° |
| C36 | C35 | C40 | 120.1° | 119.7° |
| C35 | C36 | C37 | 119.7° | 119.6° |
| C35 | C36 | H23 | 120.1° | 120.2° |
| C35 | C40 | N41 | 121.0° | 120.2° |
| C35 | C40 | C39 | 120.5° | 119.0° |
| N41 | C40 | C39 | 118.5° | 120.8° |
| C36 | C37 | C38 | 120.0° | 120.8° |
| C37 | C36 | H23 | 120.2° | 120.2° |
| C36 | C37 | H24 | 120.0° | 119.6° |
| C19 | C20 | C15 | 120.7° | 120.0° |
| C19 | C20 | H6 | 119.6° | 120.0° |
| C20 | C19 | H20 | 120.0° | 120.0° |
| C17 | C16 | C15 | 119.8° | 120.1° |
| C16 | C17 | H5 | 119.5° | 120.1° |
| C17 | C16 | H19 | 120.1° | 119.9° |
| C40 | C39 | C38 | 119.2° | 119.8° |
| C40 | C39 | H26 | 120.4° | 120.1° |
| C37 | C38 | C39 | 120.5° | 121.1° |
| C38 | C37 | H24 | 120.0° | 119.5° |
| C37 | C38 | H25 | 119.7° | 119.5° |
| C39 | C38 | H25 | 119.8° | 119.5° |
| C38 | C39 | H26 | 120.4° | 120.1° |
| C20 | C15 | C16 | 119.3° | 120.2° |
| C20 | C15 | C14 | 121.5° | 119.9° |
| C15 | C20 | H6 | 119.6° | 120.0° |
| C16 | C15 | C14 | 119.2° | 119.9° |
| C15 | C16 | H19 | 120.1° | 120.0° |
| C15 | C14 | C13 | 114.6° | 109.5° |
| C15 | C14 | H17 | 108.2° | 109.5° |
| C15 | C14 | H18 | 108.2° | 109.5° |
| C14 | C13 | N08 | 116.9° | 109.5° |
| C14 | C13 | H3 | 107.6° | 109.5° |
| C14 | C13 | H4 | 107.6° | 109.5° |
| C13 | C14 | H17 | 108.2° | 109.5° |
| C13 | C14 | H18 | 108.2° | 109.5° |
| C09 | C10 | C11 | 112.6° | 110.0° |
| C10 | C09 | N08 | 113.0° | 108.4° |
| C09 | C10 | H1 | 108.7° | 109.4° |
| C09 | C10 | H2 | 108.7° | 109.4° |
| C10 | C09 | H14 | 108.6° | 109.6° |
| C10 | C09 | H15 | 108.6° | 109.6° |
| C10 | C11 | C12 | 117.5° | 118.4° |
| C10 | C11 | C06 | 122.0° | 121.6° |
| C11 | C10 | H1 | 108.7° | 109.4° |
| C11 | C10 | H2 | 108.7° | 109.4° |
| C13 | N08 | C09 | 114.9° | 111.0° |
| C13 | N08 | C07 | 120.5° | 111.0° |
| N08 | C13 | H3 | 107.6° | 109.4° |
| N08 | C13 | H4 | 107.6° | 109.5° |
| C11 | C12 | C03 | 120.8° | 120.4° |
| C12 | C11 | C06 | 120.4° | 119.9° |
| C11 | C12 | H16 | 119.6° | 119.8° |
| C12 | C03 | O02 | 117.2° | 120.2° |
| C12 | C03 | C04 | 119.9° | 119.7° |
| C03 | C12 | H16 | 119.6° | 119.8° |
| C09 | N08 | C07 | 117.6° | 110.2° |
| N08 | C09 | H14 | 108.6° | 109.7° |
| N08 | C09 | H15 | 108.6° | 109.6° |
| C03 | O02 | C01 | 112.5° | 117.0° |
| O02 | C03 | C04 | 122.9° | 120.2° |
| O02 | C01 | H8 | 109.5° | 109.5° |
| O02 | C01 | H9 | 109.4° | 109.4° |
| O02 | C01 | H10 | 109.4° | 109.5° |
| C11 | C06 | C07 | 120.4° | 121.8° |
| C11 | C06 | C05 | 119.1° | 119.9° |
| N08 | C07 | C06 | 113.6° | 110.5° |
| N08 | C07 | H12 | 108.5° | 109.3° |
| N08 | C07 | H13 | 108.4° | 109.3° |
| C03 | C04 | C05 | 119.1° | 119.8° |
| C03 | C04 | O47 | 120.3° | 120.1° |
| C07 | C06 | C05 | 120.5° | 118.3° |
| C06 | C07 | H12 | 108.4° | 109.3° |
| C06 | C07 | H13 | 108.5° | 109.3° |
| C06 | C05 | C04 | 120.6° | 120.4° |
| C06 | C05 | H11 | 119.7° | 119.8° |
| C48 | O47 | C04 | 115.1° | 117.0° |
| O47 | C48 | H34 | 109.5° | 109.5° |
| O47 | C48 | H35 | 109.5° | 109.4° |
| O47 | C48 | H36 | 109.5° | 109.5° |
| C05 | C04 | O47 | 120.6° | 120.1° |
| C04 | C05 | H11 | 119.7° | 119.8° |
| H1 | C10 | H2 | 109.5° | 109.3° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.4° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H12 | C07 | H13 | 109.4° | 109.2° |
| H14 | C09 | H15 | 109.5° | 109.8° |
| H17 | C14 | H18 | 109.4° | 109.4° |
| H28 | C44 | H29 | 109.5° | 109.4° |
| H28 | C44 | H30 | 109.4° | 109.5° |
| H29 | C44 | H30 | 109.5° | 109.4° |
| H31 | C46 | H32 | 109.5° | 109.4° |
| H31 | C46 | H33 | 109.5° | 109.5° |
| H32 | C46 | H33 | 109.5° | 109.5° |
| H34 | C48 | H35 | 109.5° | 109.5° |
| H34 | C48 | H36 | 109.5° | 109.5° |
| H35 | C48 | H36 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C44 | O43 | C27 | C26 | 56.1° | 179.9° |
| C44 | O43 | C27 | C28 | 123.9° | 0.2° |
| O43 | C44 | H28 | H29 | 120.0° | 120.0° |
| O43 | C44 | H28 | H30 | 120.0° | 120.1° |
| O43 | C44 | H29 | H30 | 120.0° | 120.0° |
| O43 | C27 | C26 | O45 | 0.1° | 0.1° |
| O43 | C27 | C26 | C28 | 180.0° | 179.7° |
| O43 | C27 | C26 | C25 | 179.9° | 180.0° |
| O43 | C27 | C28 | C29 | 179.7° | 180.0° |
| O43 | C27 | C28 | H7 | 0.3° | 0.0° |
| C27 | O43 | C44 | H28 | 180.0° | 60.1° |
| C27 | O43 | C44 | H29 | 60.0° | 180.0° |
| C27 | O43 | C44 | H30 | 60.0° | 60.0° |
| C46 | O45 | C26 | C27 | 147.8° | 180.0° |
| C46 | O45 | C26 | C25 | 32.4° | 0.1° |
| O45 | C46 | H31 | H32 | 120.0° | 119.9° |
| O45 | C46 | H31 | H33 | 120.0° | 120.1° |
| O45 | C46 | H32 | H33 | 120.0° | 120.0° |
| O45 | C26 | C27 | C25 | 179.8° | 179.9° |
| O45 | C26 | C27 | C28 | 179.9° | 179.8° |
| O45 | C26 | C25 | C24 | 179.9° | 179.9° |
| O45 | C26 | C25 | H21 | 0.2° | 0.0° |
| C26 | O45 | C46 | H31 | 180.0° | 180.0° |
| C26 | O45 | C46 | H32 | 60.0° | 60.1° |
| C26 | O45 | C46 | H33 | 60.0° | 59.9° |
| C26 | C27 | C28 | C29 | 0.3° | 0.3° |
| C27 | C26 | C25 | C24 | 0.0° | 0.0° |
| C26 | C27 | C28 | H7 | 179.7° | 179.7° |
| C27 | C26 | C25 | H21 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.1° | 0.3° |
| C27 | C28 | C29 | H7 | 180.0° | 180.0° |
| C27 | C28 | C29 | C24 | 0.5° | 0.0° |
| C27 | C28 | C29 | N30 | 179.4° | 180.0° |
| C26 | C25 | C24 | H21 | 180.0° | 179.9° |
| C26 | C25 | C24 | C29 | 0.2° | 0.3° |
| C26 | C25 | C24 | C22 | 179.7° | 180.0° |
| C28 | C29 | C24 | C25 | 0.4° | 0.3° |
| C28 | C29 | C24 | N30 | 179.0° | 179.9° |
| C28 | C29 | C24 | C22 | 180.0° | 180.0° |
| C28 | C29 | N30 | C31 | 27.5° | 35.3° |
| C28 | C29 | N30 | H39 | 152.5° | 144.7° |
| C25 | C24 | C29 | C22 | 179.6° | 179.7° |
| C25 | C24 | C29 | N30 | 179.4° | 179.7° |
| C25 | C24 | C22 | N21 | 35.0° | 5.0° |
| C25 | C24 | C22 | O23 | 145.8° | 175.0° |
| C24 | C29 | N30 | C31 | 153.6° | 144.8° |
| C29 | C24 | C22 | N21 | 144.5° | 175.3° |
| C29 | C24 | C22 | O23 | 34.6° | 4.7° |
| C24 | C29 | C28 | H7 | 179.5° | 180.0° |
| C29 | C24 | C25 | H21 | 179.8° | 179.8° |
| C24 | C29 | N30 | H39 | 26.4° | 35.3° |
| C29 | N30 | C31 | O32 | 0.8° | 4.6° |
| N30 | C29 | C24 | C22 | 1.1° | 0.0° |
| C29 | N30 | C31 | H39 | 180.0° | 180.0° |
| C29 | N30 | C31 | C33 | 179.6° | 175.3° |
| N30 | C29 | C28 | H7 | 0.6° | 0.1° |
| O32 | C31 | N30 | C33 | 179.6° | 180.0° |
| O32 | C31 | C33 | C34 | 34.2° | 0.0° |
| O32 | C31 | C33 | C42 | 146.0° | 179.7° |
| O32 | C31 | N30 | H39 | 179.2° | 175.3° |
| C24 | C22 | N21 | O23 | 179.1° | 180.0° |
| C24 | C22 | N21 | C18 | 179.8° | 174.2° |
| C22 | C24 | C25 | H21 | 0.3° | 0.1° |
| C24 | C22 | N21 | H38 | 0.2° | 5.8° |
| N30 | C31 | C33 | C34 | 145.4° | 180.0° |
| N30 | C31 | C33 | C42 | 34.4° | 0.3° |
| C31 | C33 | C34 | C42 | 179.8° | 179.7° |
| C31 | C33 | C34 | C35 | 179.4° | 180.0° |
| C31 | C33 | C42 | N41 | 179.6° | 179.8° |
| C31 | C33 | C34 | H22 | 0.6° | 0.1° |
| C31 | C33 | C42 | H27 | 0.4° | 0.0° |
| C33 | C31 | N30 | H39 | 0.4° | 4.7° |
| C22 | N21 | C18 | H38 | 180.0° | 180.0° |
| C22 | N21 | C18 | C19 | 149.3° | 154.0° |
| C22 | N21 | C18 | C17 | 32.0° | 26.2° |
| O23 | C22 | N21 | C18 | 1.0° | 5.8° |
| O23 | C22 | N21 | H38 | 178.9° | 174.1° |
| C33 | C34 | C35 | H22 | 180.0° | 179.9° |
| C34 | C33 | C42 | N41 | 0.2° | 0.5° |
| C33 | C34 | C35 | C36 | 179.8° | 180.0° |
| C33 | C34 | C35 | C40 | 0.4° | 0.0° |
| C34 | C33 | C42 | H27 | 179.8° | 179.7° |
| C42 | C33 | C34 | C35 | 0.3° | 0.2° |
| C33 | C42 | N41 | H27 | 180.0° | 179.8° |
| C33 | C42 | N41 | C40 | 0.0° | 0.5° |
| C42 | C33 | C34 | H22 | 179.6° | 179.8° |
| N21 | C18 | C19 | C17 | 178.7° | 179.8° |
| N21 | C18 | C19 | C20 | 179.5° | 179.9° |
| N21 | C18 | C17 | C16 | 179.9° | 180.0° |
| N21 | C18 | C17 | H5 | 0.2° | 0.0° |
| N21 | C18 | C19 | H20 | 0.5° | 0.2° |
| C34 | C35 | C36 | C40 | 179.9° | 180.0° |
| C34 | C35 | C40 | N41 | 0.2° | 0.1° |
| C34 | C35 | C36 | C37 | 179.6° | 180.0° |
| C34 | C35 | C40 | C39 | 179.7° | 180.0° |
| C34 | C35 | C36 | H23 | 0.4° | 0.1° |
| C42 | N41 | C40 | C35 | 0.0° | 0.2° |
| C42 | N41 | C40 | C39 | 179.9° | 179.8° |
| C18 | C19 | C20 | H20 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 1.2° | 0.3° |
| C18 | C19 | C20 | C15 | 0.4° | 0.1° |
| C19 | C18 | C17 | H5 | 178.9° | 179.8° |
| C18 | C19 | C20 | H6 | 179.6° | 180.0° |
| C19 | C18 | N21 | H38 | 30.6° | 26.0° |
| C17 | C18 | C19 | C20 | 0.8° | 0.3° |
| C18 | C17 | C16 | H5 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 1.1° | 0.0° |
| C18 | C17 | C16 | H19 | 178.9° | 180.0° |
| C17 | C18 | C19 | H20 | 179.2° | 180.0° |
| C17 | C18 | N21 | H38 | 148.1° | 153.8° |
| C36 | C35 | C40 | N41 | 179.9° | 179.9° |
| C35 | C36 | C37 | H23 | 180.0° | 179.9° |
| C36 | C35 | C40 | C39 | 0.2° | 0.0° |
| C35 | C36 | C37 | C38 | 0.1° | 0.0° |
| C36 | C35 | C34 | H22 | 0.2° | 0.1° |
| C35 | C36 | C37 | H24 | 179.9° | 180.0° |
| C35 | C40 | N41 | C39 | 179.9° | 179.9° |
| C40 | C35 | C36 | C37 | 0.2° | 0.0° |
| C35 | C40 | C39 | C38 | 0.0° | 0.0° |
| C40 | C35 | C34 | H22 | 179.6° | 179.9° |
| C40 | C35 | C36 | H23 | 179.8° | 179.9° |
| C35 | C40 | C39 | H26 | 180.0° | 180.0° |
| N41 | C40 | C39 | C38 | 179.9° | 179.9° |
| N41 | C40 | C39 | H26 | 0.1° | 0.1° |
| C40 | N41 | C42 | H27 | 180.0° | 179.7° |
| C36 | C37 | C38 | H24 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.1° | 0.0° |
| C36 | C37 | C38 | H25 | 179.9° | 179.9° |
| C19 | C20 | C15 | H6 | 180.0° | 179.9° |
| C19 | C20 | C15 | C16 | 0.3° | 0.2° |
| C19 | C20 | C15 | C14 | 179.4° | 179.9° |
| C17 | C16 | C15 | C20 | 0.7° | 0.2° |
| C17 | C16 | C15 | H19 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 179.7° | 180.0° |
| C40 | C39 | C38 | C37 | 0.2° | 0.1° |
| C40 | C39 | C38 | H26 | 180.0° | 180.0° |
| C40 | C39 | C38 | H25 | 179.8° | 179.9° |
| C37 | C38 | C39 | H25 | 180.0° | 179.9° |
| C38 | C37 | C36 | H23 | 179.9° | 179.9° |
| C37 | C38 | C39 | H26 | 179.8° | 179.9° |
| C39 | C38 | C37 | H24 | 179.9° | 180.0° |
| C20 | C15 | C16 | C14 | 179.1° | 179.8° |
| C20 | C15 | C14 | C13 | 21.3° | 90.0° |
| C20 | C15 | C14 | H17 | 99.5° | 30.0° |
| C20 | C15 | C14 | H18 | 142.1° | 150.0° |
| C20 | C15 | C16 | H19 | 179.3° | 179.8° |
| C15 | C20 | C19 | H20 | 179.6° | 179.8° |
| C16 | C15 | C14 | C13 | 159.7° | 89.7° |
| C15 | C16 | C17 | H5 | 178.9° | 180.0° |
| C16 | C15 | C20 | H6 | 179.7° | 179.7° |
| C16 | C15 | C14 | H17 | 79.6° | 150.2° |
| C16 | C15 | C14 | H18 | 38.9° | 30.3° |
| C15 | C14 | C13 | H17 | 120.8° | 120.0° |
| C15 | C14 | C13 | H18 | 120.7° | 120.1° |
| C15 | C14 | C13 | N08 | 106.6° | 180.0° |
| C15 | C14 | C13 | H3 | 132.3° | 60.0° |
| C15 | C14 | C13 | H4 | 14.5° | 60.0° |
| C14 | C15 | C20 | H6 | 0.7° | 0.0° |
| C15 | C14 | H17 | H18 | 117.7° | 120.0° |
| C14 | C15 | C16 | H19 | 0.3° | 0.1° |
| C14 | C13 | N08 | H3 | 121.1° | 120.0° |
| C14 | C13 | N08 | H4 | 121.1° | 120.0° |
| C14 | C13 | N08 | C09 | 108.2° | 170.0° |
| C14 | C13 | N08 | C07 | 41.7° | 67.0° |
| C14 | C13 | H3 | H4 | 116.6° | 120.0° |
| C13 | C14 | H17 | H18 | 117.7° | 120.0° |
| C09 | C10 | C11 | H1 | 120.5° | 120.2° |
| C09 | C10 | C11 | H2 | 120.5° | 120.1° |
| C10 | C09 | N08 | C13 | 99.9° | 165.3° |
| C09 | C10 | C11 | C12 | 177.9° | 163.2° |
| C10 | C09 | N08 | H14 | 120.5° | 119.7° |
| C10 | C09 | N08 | H15 | 120.5° | 119.7° |
| C09 | C10 | C11 | C06 | 2.8° | 16.9° |
| C10 | C09 | N08 | C07 | 50.9° | 71.4° |
| C09 | C10 | H1 | H2 | 118.6° | 119.7° |
| C10 | C09 | H14 | H15 | 118.4° | 120.5° |
| C10 | C11 | C12 | C06 | 179.4° | 179.9° |
| C10 | C11 | C12 | C03 | 179.3° | 179.8° |
| C11 | C10 | C09 | N08 | 21.7° | 50.5° |
| C10 | C11 | C06 | C07 | 1.9° | 0.3° |
| C10 | C11 | C06 | C05 | 179.8° | 179.7° |
| C11 | C10 | H1 | H2 | 118.6° | 119.7° |
| C11 | C10 | C09 | H14 | 142.2° | 69.3° |
| C11 | C10 | C09 | H15 | 98.8° | 170.2° |
| C10 | C11 | C12 | H16 | 0.7° | 0.2° |
| C13 | N08 | C09 | C07 | 150.8° | 123.3° |
| C13 | N08 | C07 | C06 | 96.8° | 175.9° |
| N08 | C13 | H3 | H4 | 116.7° | 120.0° |
| C13 | N08 | C07 | H12 | 23.8° | 63.8° |
| C13 | N08 | C07 | H13 | 142.6° | 55.6° |
| C13 | N08 | C09 | H14 | 20.6° | 75.0° |
| C13 | N08 | C09 | H15 | 139.6° | 45.6° |
| N08 | C13 | C14 | H17 | 14.2° | 60.0° |
| N08 | C13 | C14 | H18 | 132.7° | 60.0° |
| C11 | C12 | C03 | H16 | 180.0° | 179.9° |
| C11 | C12 | C03 | O02 | 179.3° | 180.0° |
| C11 | C12 | C03 | C04 | 0.4° | 0.0° |
| C12 | C11 | C06 | C07 | 178.7° | 179.8° |
| C12 | C11 | C06 | C05 | 0.4° | 0.2° |
| C12 | C11 | C10 | H1 | 61.7° | 76.6° |
| C12 | C11 | C10 | H2 | 57.4° | 43.1° |
| C12 | C03 | O02 | C04 | 179.6° | 180.0° |
| C12 | C03 | O02 | C01 | 95.4° | 0.0° |
| C03 | C12 | C11 | C06 | 0.1° | 0.1° |
| C12 | C03 | C04 | C05 | 0.1° | 0.1° |
| C12 | C03 | C04 | O47 | 179.8° | 179.9° |
| C09 | N08 | C07 | C06 | 52.3° | 52.5° |
| N08 | C09 | C10 | H1 | 142.2° | 69.7° |
| N08 | C09 | C10 | H2 | 98.7° | 170.6° |
| C09 | N08 | C13 | H3 | 130.7° | 50.1° |
| C09 | N08 | C13 | H4 | 12.9° | 69.9° |
| C09 | N08 | C07 | H12 | 172.9° | 172.8° |
| C09 | N08 | C07 | H13 | 68.3° | 67.7° |
| N08 | C09 | H14 | H15 | 118.4° | 120.5° |
| O02 | C03 | C04 | C05 | 179.5° | 179.9° |
| O02 | C03 | C04 | O47 | 0.6° | 0.1° |
| C03 | O02 | C01 | H8 | 180.0° | 60.0° |
| C03 | O02 | C01 | H9 | 60.0° | 179.9° |
| C03 | O02 | C01 | H10 | 60.0° | 60.0° |
| O02 | C03 | C12 | H16 | 0.7° | 0.0° |
| C01 | O02 | C03 | C04 | 84.2° | 180.0° |
| O02 | C01 | H8 | H9 | 120.0° | 119.9° |
| O02 | C01 | H8 | H10 | 120.0° | 120.0° |
| O02 | C01 | H9 | H10 | 119.9° | 120.0° |
| C11 | C06 | C07 | N08 | 24.1° | 17.4° |
| C11 | C06 | C07 | C05 | 178.2° | 180.0° |
| C11 | C06 | C05 | C04 | 0.7° | 0.2° |
| C06 | C11 | C10 | H1 | 117.7° | 103.3° |
| C06 | C11 | C10 | H2 | 123.2° | 137.0° |
| C11 | C06 | C05 | H11 | 179.3° | 179.8° |
| C11 | C06 | C07 | H12 | 144.7° | 137.7° |
| C11 | C06 | C07 | H13 | 96.6° | 102.8° |
| C06 | C11 | C12 | H16 | 180.0° | 179.8° |
| N08 | C07 | C06 | H12 | 120.6° | 120.3° |
| N08 | C07 | C06 | H13 | 120.6° | 120.3° |
| N08 | C07 | C06 | C05 | 154.2° | 162.6° |
| C07 | N08 | C13 | H3 | 79.4° | 173.0° |
| C07 | N08 | C13 | H4 | 162.7° | 53.0° |
| N08 | C07 | H12 | H13 | 118.1° | 119.5° |
| C07 | N08 | C09 | H14 | 171.4° | 48.3° |
| C07 | N08 | C09 | H15 | 69.6° | 169.0° |
| C03 | C04 | C05 | C06 | 0.4° | 0.0° |
| C03 | C04 | O47 | C48 | 55.8° | 180.0° |
| C03 | C04 | C05 | O47 | 179.9° | 180.0° |
| C03 | C04 | C05 | H11 | 179.6° | 180.0° |
| C04 | C03 | C12 | H16 | 179.7° | 180.0° |
| C07 | C06 | C05 | C04 | 179.0° | 179.8° |
| C07 | C06 | C05 | H11 | 1.1° | 0.2° |
| C06 | C07 | H12 | H13 | 118.1° | 119.5° |
| C06 | C05 | C04 | H11 | 180.0° | 180.0° |
| C06 | C05 | C04 | O47 | 179.7° | 180.0° |
| C05 | C06 | C07 | H12 | 33.5° | 42.3° |
| C05 | C06 | C07 | H13 | 85.2° | 77.1° |
| C48 | O47 | C04 | C05 | 124.1° | 0.0° |
| O47 | C48 | H34 | H35 | 120.0° | 119.9° |
| O47 | C48 | H34 | H36 | 120.0° | 120.1° |
| O47 | C48 | H35 | H36 | 120.0° | 120.0° |
| O47 | C04 | C05 | H11 | 0.3° | 0.0° |
| C04 | O47 | C48 | H34 | 180.0° | 59.9° |
| C04 | O47 | C48 | H35 | 60.0° | 60.0° |
| C04 | O47 | C48 | H36 | 60.0° | 180.0° |
| H1 | C10 | C09 | H14 | 97.3° | 170.6° |
| H1 | C10 | C09 | H15 | 21.7° | 50.0° |
| H2 | C10 | C09 | H14 | 21.8° | 50.8° |
| H2 | C10 | C09 | H15 | 140.7° | 69.8° |
| H3 | C13 | C14 | H17 | 106.9° | 60.0° |
| H3 | C13 | C14 | H18 | 11.6° | 179.9° |
| H4 | C13 | C14 | H17 | 135.3° | 180.0° |
| H4 | C13 | C14 | H18 | 106.3° | 60.1° |
| H5 | C17 | C16 | H19 | 1.1° | 0.0° |
| H6 | C20 | C19 | H20 | 0.3° | 0.3° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H23 | C36 | C37 | H24 | 0.1° | 0.1° |
| H24 | C37 | C38 | H25 | 0.1° | 0.1° |
| H25 | C38 | C39 | H26 | 0.2° | 0.1° |
| H28 | C44 | H29 | H30 | 120.0° | 120.0° |
| H31 | C46 | H32 | H33 | 120.0° | 120.0° |
| H34 | C48 | H35 | H36 | 120.0° | 120.1° |
