YGR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | O28 | sing | 1.43Å | 1.43Å | |
| O28 | C27 | sing | 1.36Å | 1.42Å | |
| C16 | O15 | sing | 1.43Å | 1.42Å | |
| O15 | C14 | sing | 1.36Å | 1.42Å | |
| C27 | N30 | doub | 1.32Å | 1.34Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.42Å | Aromatic |
| N30 | C31 | sing | 1.32Å | 1.33Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | N13 | doub | 1.32Å | 1.33Å | Aromatic |
| C14 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C33 | O32 | sing | 1.43Å | 1.43Å | |
| N13 | C10 | sing | 1.32Å | 1.33Å | Aromatic |
| C17 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | O32 | sing | 1.36Å | 1.43Å | |
| C31 | C34 | doub | 1.39Å | 1.43Å | Aromatic |
| C25 | C34 | sing | 1.39Å | 1.41Å | Aromatic |
| C25 | C18 | sing | 1.51Å | 1.54Å | |
| O24 | C18 | sing | 1.43Å | 1.41Å | |
| C12 | O11 | sing | 1.43Å | 1.41Å | |
| C10 | O11 | sing | 1.36Å | 1.41Å | |
| C10 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.55Å | |
| C18 | C05 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C20 | C19 | sing | 1.53Å | 1.57Å | |
| C20 | N21 | sing | 1.47Å | 1.47Å | |
| C07 | O08 | sing | 1.36Å | 1.41Å | |
| C05 | C04 | sing | 1.51Å | 1.56Å | |
| C22 | N21 | sing | 1.47Å | 1.43Å | |
| C35 | C04 | doub | 1.36Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.41Å | 1.45Å | Aromatic |
| C37 | C36 | doub | 1.40Å | 1.42Å | Aromatic |
| C37 | C38 | sing | 1.36Å | 1.40Å | Aromatic |
| BR3 | C38 | sing | 1.89Å | 1.93Å | |
| N21 | C23 | sing | 1.47Å | 1.47Å | |
| C04 | C03 | sing | 1.40Å | 1.43Å | Aromatic |
| C36 | C42 | sing | 1.42Å | 1.37Å | Aromatic |
| O08 | C09 | sing | 1.43Å | 1.41Å | |
| C38 | C40 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.42Å | |
| C03 | N43 | doub | 1.32Å | 1.33Å | Aromatic |
| C42 | N43 | sing | 1.34Å | 1.38Å | Aromatic |
| C42 | C41 | doub | 1.41Å | 1.43Å | Aromatic |
| C40 | C41 | sing | 1.36Å | 1.39Å | Aromatic |
| O02 | C01 | sing | 1.43Å | 1.43Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C37 | H34 | sing | 1.08Å | 1.08Å | |
| C40 | H35 | sing | 1.08Å | 1.08Å | |
| C41 | H36 | sing | 1.08Å | 1.08Å | |
| O24 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | O28 | C27 | 114.5° | 117.0° |
| O28 | C29 | H26 | 109.5° | 109.5° |
| O28 | C29 | H27 | 109.5° | 109.4° |
| O28 | C29 | H28 | 109.5° | 109.5° |
| O28 | C27 | N30 | 120.2° | 119.7° |
| O28 | C27 | C26 | 120.2° | 119.7° |
| C16 | O15 | C14 | 114.4° | 117.0° |
| O15 | C16 | H11 | 109.5° | 109.5° |
| O15 | C16 | H12 | 109.5° | 109.5° |
| O15 | C16 | H13 | 109.5° | 109.5° |
| O15 | C14 | N13 | 119.7° | 119.6° |
| O15 | C14 | C17 | 119.3° | 119.6° |
| N30 | C27 | C26 | 119.5° | 120.7° |
| C27 | N30 | C31 | 123.0° | 121.6° |
| C27 | C26 | C25 | 119.9° | 119.2° |
| C27 | C26 | H25 | 120.0° | 120.4° |
| N30 | C31 | O32 | 119.3° | 119.7° |
| N30 | C31 | C34 | 120.5° | 120.7° |
| C26 | C25 | C34 | 118.3° | 118.6° |
| C26 | C25 | C18 | 120.1° | 120.7° |
| C25 | C26 | H25 | 120.1° | 120.4° |
| N13 | C14 | C17 | 121.0° | 120.8° |
| C14 | N13 | C10 | 121.5° | 121.6° |
| C14 | C17 | C06 | 119.4° | 119.3° |
| C14 | C17 | H14 | 120.3° | 120.4° |
| C33 | O32 | C31 | 113.7° | 117.0° |
| O32 | C33 | H29 | 109.5° | 109.5° |
| O32 | C33 | H30 | 109.5° | 109.5° |
| O32 | C33 | H31 | 109.5° | 109.5° |
| N13 | C10 | O11 | 119.3° | 119.7° |
| N13 | C10 | C07 | 121.2° | 120.6° |
| C17 | C06 | C07 | 117.8° | 118.5° |
| C17 | C06 | C05 | 123.5° | 120.7° |
| C06 | C17 | H14 | 120.3° | 120.4° |
| O32 | C31 | C34 | 120.2° | 119.7° |
| C31 | C34 | C25 | 118.8° | 119.2° |
| C31 | C34 | H32 | 120.6° | 120.3° |
| C34 | C25 | C18 | 121.6° | 120.7° |
| C25 | C34 | H32 | 120.6° | 120.4° |
| C25 | C18 | O24 | 109.1° | 109.5° |
| C25 | C18 | C05 | 111.8° | 109.4° |
| C25 | C18 | C19 | 109.5° | 109.5° |
| O24 | C18 | C05 | 109.5° | 109.5° |
| O24 | C18 | C19 | 109.2° | 109.5° |
| C18 | O24 | H38 | 109.5° | 114.0° |
| C12 | O11 | C10 | 113.9° | 117.0° |
| O11 | C12 | H8 | 109.5° | 109.5° |
| O11 | C12 | H9 | 109.5° | 109.4° |
| O11 | C12 | H10 | 109.5° | 109.5° |
| O11 | C10 | C07 | 119.5° | 119.7° |
| C10 | C07 | C06 | 119.2° | 119.2° |
| C10 | C07 | O08 | 119.9° | 120.4° |
| C07 | C06 | C05 | 118.7° | 120.8° |
| C06 | C07 | O08 | 120.9° | 120.4° |
| C06 | C05 | C18 | 115.1° | 109.5° |
| C06 | C05 | C04 | 107.5° | 109.5° |
| C06 | C05 | H4 | 108.2° | 109.5° |
| C05 | C18 | C19 | 107.7° | 109.5° |
| C18 | C05 | C04 | 109.3° | 109.4° |
| C18 | C05 | H4 | 108.5° | 109.5° |
| C18 | C19 | C20 | 114.5° | 109.4° |
| C18 | C19 | H15 | 108.2° | 109.4° |
| C18 | C19 | H16 | 108.2° | 109.5° |
| C19 | C20 | N21 | 109.1° | 109.5° |
| C20 | C19 | H15 | 108.2° | 109.5° |
| C20 | C19 | H16 | 108.2° | 109.5° |
| C19 | C20 | H17 | 109.6° | 109.5° |
| C19 | C20 | H18 | 109.6° | 109.5° |
| C20 | N21 | C22 | 110.0° | 111.0° |
| C20 | N21 | C23 | 110.0° | 111.0° |
| N21 | C20 | H17 | 109.6° | 109.5° |
| N21 | C20 | H18 | 109.6° | 109.4° |
| C07 | O08 | C09 | 115.5° | 117.0° |
| C05 | C04 | C35 | 120.2° | 120.1° |
| C05 | C04 | C03 | 119.8° | 120.0° |
| C04 | C05 | H4 | 108.0° | 109.5° |
| C22 | N21 | C23 | 109.5° | 111.0° |
| N21 | C22 | H19 | 109.5° | 109.5° |
| N21 | C22 | H20 | 109.4° | 109.5° |
| N21 | C22 | H21 | 109.5° | 109.5° |
| C04 | C35 | C36 | 118.2° | 118.2° |
| C35 | C04 | C03 | 120.0° | 119.9° |
| C04 | C35 | H33 | 120.9° | 120.9° |
| C35 | C36 | C37 | 121.3° | 121.2° |
| C35 | C36 | C42 | 118.6° | 119.1° |
| C36 | C35 | H33 | 120.9° | 120.9° |
| C36 | C37 | C38 | 120.0° | 119.6° |
| C37 | C36 | C42 | 120.1° | 119.7° |
| C36 | C37 | H34 | 120.0° | 120.2° |
| C37 | C38 | BR3 | 119.9° | 119.6° |
| C37 | C38 | C40 | 120.1° | 120.8° |
| C38 | C37 | H34 | 120.0° | 120.2° |
| BR3 | C38 | C40 | 120.0° | 119.6° |
| N21 | C23 | H22 | 109.5° | 109.5° |
| N21 | C23 | H23 | 109.4° | 109.4° |
| N21 | C23 | H24 | 109.5° | 109.5° |
| C04 | C03 | O02 | 119.7° | 119.3° |
| C04 | C03 | N43 | 120.1° | 121.6° |
| C36 | C42 | N43 | 121.6° | 119.9° |
| C36 | C42 | C41 | 120.0° | 119.1° |
| O08 | C09 | H5 | 109.5° | 109.5° |
| O08 | C09 | H6 | 109.5° | 109.5° |
| O08 | C09 | H7 | 109.5° | 109.4° |
| C38 | C40 | C41 | 120.0° | 121.1° |
| C38 | C40 | H35 | 120.0° | 119.4° |
| O02 | C03 | N43 | 120.2° | 119.2° |
| C03 | O02 | C01 | 114.2° | 117.0° |
| C03 | N43 | C42 | 121.4° | 121.3° |
| N43 | C42 | C41 | 118.4° | 121.0° |
| C42 | C41 | C40 | 119.9° | 119.7° |
| C42 | C41 | H36 | 120.1° | 120.1° |
| C41 | C40 | H35 | 120.0° | 119.5° |
| C40 | C41 | H36 | 120.0° | 120.1° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.5° | 109.4° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H5 | C09 | H6 | 109.4° | 109.5° |
| H5 | C09 | H7 | 109.5° | 109.5° |
| H6 | C09 | H7 | 109.5° | 109.4° |
| H8 | C12 | H9 | 109.4° | 109.5° |
| H8 | C12 | H10 | 109.4° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H11 | C16 | H13 | 109.4° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.4° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.4° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H19 | C22 | H21 | 109.4° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.4° | 109.5° |
| H22 | C23 | H24 | 109.5° | 109.4° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H26 | C29 | H27 | 109.4° | 109.4° |
| H26 | C29 | H28 | 109.5° | 109.5° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| H29 | C33 | H30 | 109.5° | 109.5° |
| H29 | C33 | H31 | 109.4° | 109.4° |
| H30 | C33 | H31 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | O28 | C27 | N30 | 31.6° | 0.0° |
| C29 | O28 | C27 | C26 | 148.7° | 179.9° |
| O28 | C29 | H26 | H27 | 120.0° | 119.9° |
| O28 | C29 | H26 | H28 | 120.0° | 120.1° |
| O28 | C29 | H27 | H28 | 120.0° | 120.0° |
| O28 | C27 | N30 | C26 | 179.7° | 179.9° |
| O28 | C27 | N30 | C31 | 179.9° | 179.7° |
| O28 | C27 | C26 | C25 | 179.9° | 180.0° |
| O28 | C27 | C26 | H25 | 0.1° | 0.0° |
| C27 | O28 | C29 | H26 | 180.0° | 180.0° |
| C27 | O28 | C29 | H27 | 60.0° | 60.0° |
| C27 | O28 | C29 | H28 | 60.0° | 60.0° |
| C16 | O15 | C14 | N13 | 5.8° | 0.0° |
| C16 | O15 | C14 | C17 | 173.9° | 179.3° |
| O15 | C16 | H11 | H12 | 120.0° | 120.0° |
| O15 | C16 | H11 | H13 | 120.0° | 120.0° |
| O15 | C16 | H12 | H13 | 120.0° | 120.0° |
| O15 | C14 | N13 | C17 | 179.7° | 179.3° |
| O15 | C14 | N13 | C10 | 180.0° | 180.0° |
| O15 | C14 | C17 | C06 | 179.7° | 179.7° |
| C14 | O15 | C16 | H11 | 180.0° | 180.0° |
| C14 | O15 | C16 | H12 | 60.0° | 59.9° |
| C14 | O15 | C16 | H13 | 60.0° | 60.0° |
| O15 | C14 | C17 | H14 | 0.3° | 0.8° |
| N30 | C27 | C26 | C25 | 0.1° | 0.0° |
| C27 | N30 | C31 | O32 | 179.9° | 180.0° |
| C27 | N30 | C31 | C34 | 0.5° | 0.5° |
| N30 | C27 | C26 | H25 | 179.9° | 180.0° |
| C26 | C27 | N30 | C31 | 0.3° | 0.3° |
| C27 | C26 | C25 | H25 | 180.0° | 180.0° |
| C27 | C26 | C25 | C34 | 0.1° | 0.1° |
| C27 | C26 | C25 | C18 | 179.4° | 179.7° |
| N30 | C31 | O32 | C33 | 4.8° | 0.5° |
| N30 | C31 | O32 | C34 | 179.4° | 179.5° |
| N30 | C31 | C34 | C25 | 0.4° | 0.5° |
| N30 | C31 | C34 | H32 | 179.6° | 179.4° |
| C26 | C25 | C34 | C31 | 0.2° | 0.2° |
| C26 | C25 | C34 | C18 | 179.3° | 179.8° |
| C26 | C25 | C18 | O24 | 4.6° | 149.7° |
| C26 | C25 | C18 | C05 | 125.8° | 29.8° |
| C26 | C25 | C18 | C19 | 114.9° | 90.3° |
| C26 | C25 | C34 | H32 | 179.8° | 179.7° |
| N13 | C14 | C17 | C06 | 0.6° | 0.5° |
| C14 | N13 | C10 | O11 | 179.9° | 179.5° |
| C14 | N13 | C10 | C07 | 0.0° | 0.5° |
| N13 | C14 | C17 | H14 | 179.4° | 180.0° |
| C17 | C14 | N13 | C10 | 0.3° | 0.7° |
| C14 | C17 | C06 | H14 | 180.0° | 179.5° |
| C14 | C17 | C06 | C07 | 0.6° | 0.0° |
| C14 | C17 | C06 | C05 | 179.9° | 179.8° |
| C33 | O32 | C31 | C34 | 174.7° | 180.0° |
| O32 | C33 | H29 | H30 | 120.0° | 120.1° |
| O32 | C33 | H29 | H31 | 120.0° | 120.0° |
| O32 | C33 | H30 | H31 | 120.0° | 120.1° |
| N13 | C10 | O11 | C12 | 54.1° | 0.1° |
| N13 | C10 | O11 | C07 | 179.9° | 180.0° |
| N13 | C10 | C07 | C06 | 0.0° | 0.0° |
| N13 | C10 | C07 | O08 | 179.4° | 180.0° |
| C17 | C06 | C07 | C10 | 0.3° | 0.3° |
| C17 | C06 | C07 | C05 | 179.5° | 179.7° |
| C17 | C06 | C05 | C18 | 17.2° | 59.8° |
| C17 | C06 | C07 | O08 | 179.1° | 179.7° |
| C17 | C06 | C05 | C04 | 104.9° | 60.1° |
| C17 | C06 | C05 | H4 | 138.6° | 179.9° |
| O32 | C31 | C34 | C25 | 179.9° | 180.0° |
| C31 | O32 | C33 | H29 | 180.0° | 180.0° |
| C31 | O32 | C33 | H30 | 60.0° | 60.0° |
| C31 | O32 | C33 | H31 | 60.0° | 60.0° |
| O32 | C31 | C34 | H32 | 0.1° | 0.0° |
| C31 | C34 | C25 | H32 | 180.0° | 180.0° |
| C31 | C34 | C25 | C18 | 179.6° | 180.0° |
| C34 | C25 | C18 | O24 | 174.7° | 30.0° |
| C34 | C25 | C18 | C05 | 53.5° | 150.0° |
| C34 | C25 | C18 | C19 | 65.8° | 89.9° |
| C34 | C25 | C26 | H25 | 179.9° | 180.0° |
| C25 | C18 | O24 | C05 | 122.6° | 119.9° |
| C25 | C18 | O24 | C19 | 119.7° | 120.0° |
| C25 | C18 | C05 | C06 | 51.8° | 53.5° |
| C25 | C18 | C05 | C19 | 120.4° | 120.0° |
| C25 | C18 | C19 | C20 | 45.5° | 172.9° |
| C25 | C18 | C05 | C04 | 172.9° | 173.5° |
| C25 | C18 | C05 | H4 | 69.5° | 66.5° |
| C25 | C18 | C19 | H15 | 166.3° | 67.1° |
| C25 | C18 | C19 | H16 | 75.2° | 52.9° |
| C18 | C25 | C26 | H25 | 0.6° | 0.3° |
| C18 | C25 | C34 | H32 | 0.4° | 0.0° |
| C25 | C18 | O24 | H38 | 180.0° | 47.7° |
| O24 | C18 | C05 | C06 | 69.2° | 66.5° |
| O24 | C18 | C05 | C19 | 118.6° | 120.0° |
| O24 | C18 | C19 | C20 | 73.8° | 52.9° |
| O24 | C18 | C05 | C04 | 52.0° | 53.5° |
| O24 | C18 | C05 | H4 | 169.5° | 173.5° |
| O24 | C18 | C19 | H15 | 46.9° | 172.9° |
| O24 | C18 | C19 | H16 | 165.4° | 67.1° |
| C12 | O11 | C10 | C07 | 126.0° | 180.0° |
| O11 | C12 | H8 | H9 | 120.0° | 119.9° |
| O11 | C12 | H8 | H10 | 120.0° | 120.1° |
| O11 | C12 | H9 | H10 | 120.0° | 120.1° |
| O11 | C10 | C07 | C06 | 179.9° | 180.0° |
| O11 | C10 | C07 | O08 | 0.5° | 0.0° |
| C10 | O11 | C12 | H8 | 180.0° | 60.0° |
| C10 | O11 | C12 | H9 | 60.0° | 180.0° |
| C10 | O11 | C12 | H10 | 60.0° | 60.0° |
| C10 | C07 | C06 | O08 | 179.4° | 180.0° |
| C10 | C07 | C06 | C05 | 179.8° | 180.0° |
| C10 | C07 | O08 | C09 | 94.7° | 90.0° |
| C07 | C06 | C05 | C18 | 163.4° | 120.4° |
| C07 | C06 | C05 | C04 | 74.6° | 119.6° |
| C06 | C07 | O08 | C09 | 85.9° | 90.0° |
| C07 | C06 | C05 | H4 | 41.9° | 0.4° |
| C07 | C06 | C17 | H14 | 179.4° | 179.5° |
| C06 | C05 | C18 | C04 | 121.1° | 120.0° |
| C06 | C05 | C18 | H4 | 121.3° | 120.0° |
| C06 | C05 | C18 | C19 | 172.2° | 173.5° |
| C05 | C06 | C07 | O08 | 0.4° | 0.0° |
| C06 | C05 | C04 | H4 | 116.6° | 120.0° |
| C06 | C05 | C04 | C35 | 40.6° | 65.5° |
| C06 | C05 | C04 | C03 | 139.0° | 114.4° |
| C05 | C06 | C17 | H14 | 0.1° | 0.3° |
| C05 | C18 | C19 | C20 | 167.4° | 67.1° |
| C18 | C05 | C04 | H4 | 117.8° | 120.0° |
| C18 | C05 | C04 | C35 | 85.0° | 54.5° |
| C18 | C05 | C04 | C03 | 95.4° | 125.6° |
| C05 | C18 | C19 | H15 | 71.9° | 52.9° |
| C05 | C18 | C19 | H16 | 46.6° | 172.9° |
| C05 | C18 | O24 | H38 | 57.4° | 72.2° |
| C18 | C19 | C20 | H15 | 120.7° | 119.9° |
| C18 | C19 | C20 | H16 | 120.7° | 120.0° |
| C18 | C19 | C20 | N21 | 165.5° | 172.6° |
| C19 | C18 | C05 | C04 | 66.7° | 66.5° |
| C19 | C18 | C05 | H4 | 50.9° | 53.5° |
| C18 | C19 | H15 | H16 | 117.7° | 120.0° |
| C18 | C19 | C20 | H17 | 74.5° | 52.6° |
| C18 | C19 | C20 | H18 | 45.5° | 67.5° |
| C19 | C18 | O24 | H38 | 60.3° | 167.7° |
| C19 | C20 | N21 | H17 | 120.0° | 120.0° |
| C19 | C20 | N21 | H18 | 120.0° | 120.0° |
| C19 | C20 | N21 | C22 | 173.1° | 66.0° |
| C19 | C20 | N21 | C23 | 66.2° | 170.0° |
| C20 | C19 | H15 | H16 | 117.7° | 120.1° |
| C19 | C20 | H17 | H18 | 120.2° | 120.0° |
| C20 | N21 | C22 | C23 | 121.0° | 123.9° |
| N21 | C20 | C19 | H15 | 44.8° | 67.5° |
| N21 | C20 | C19 | H16 | 73.8° | 52.6° |
| N21 | C20 | H17 | H18 | 120.1° | 120.0° |
| C20 | N21 | C22 | H19 | 180.0° | 60.0° |
| C20 | N21 | C22 | H20 | 60.0° | 180.0° |
| C20 | N21 | C22 | H21 | 60.0° | 60.0° |
| C20 | N21 | C23 | H22 | 180.0° | 60.0° |
| C20 | N21 | C23 | H23 | 60.0° | 180.0° |
| C20 | N21 | C23 | H24 | 60.0° | 60.0° |
| C07 | O08 | C09 | H5 | 180.0° | 180.0° |
| C07 | O08 | C09 | H6 | 60.0° | 60.0° |
| C07 | O08 | C09 | H7 | 60.0° | 60.0° |
| C05 | C04 | C35 | C03 | 179.6° | 179.9° |
| C05 | C04 | C35 | C36 | 180.0° | 180.0° |
| C05 | C04 | C03 | O02 | 0.5° | 0.1° |
| C05 | C04 | C03 | N43 | 179.8° | 179.7° |
| C05 | C04 | C35 | H33 | 0.0° | 0.1° |
| C22 | N21 | C20 | H17 | 67.0° | 54.0° |
| C22 | N21 | C20 | H18 | 53.1° | 174.0° |
| N21 | C22 | H19 | H20 | 120.0° | 120.0° |
| N21 | C22 | H19 | H21 | 120.0° | 120.0° |
| N21 | C22 | H20 | H21 | 120.0° | 120.0° |
| C22 | N21 | C23 | H22 | 59.0° | 176.1° |
| C22 | N21 | C23 | H23 | 179.0° | 56.0° |
| C22 | N21 | C23 | H24 | 61.0° | 63.9° |
| C04 | C35 | C36 | H33 | 180.0° | 179.9° |
| C04 | C35 | C36 | C37 | 179.9° | 180.0° |
| C04 | C35 | C36 | C42 | 0.2° | 0.0° |
| C35 | C04 | C03 | O02 | 179.9° | 180.0° |
| C35 | C04 | C03 | N43 | 0.6° | 0.2° |
| C35 | C04 | C05 | H4 | 157.2° | 174.5° |
| C35 | C36 | C37 | C42 | 179.9° | 180.0° |
| C35 | C36 | C37 | C38 | 179.9° | 179.9° |
| C36 | C35 | C04 | C03 | 0.4° | 0.1° |
| C35 | C36 | C42 | N43 | 0.1° | 0.3° |
| C35 | C36 | C42 | C41 | 179.9° | 179.9° |
| C35 | C36 | C37 | H34 | 0.1° | 0.0° |
| C36 | C37 | C38 | H34 | 180.0° | 179.9° |
| C36 | C37 | C38 | BR3 | 180.0° | 180.0° |
| C36 | C37 | C38 | C40 | 0.0° | 0.1° |
| C37 | C36 | C42 | N43 | 180.0° | 179.7° |
| C37 | C36 | C42 | C41 | 0.0° | 0.1° |
| C37 | C36 | C35 | H33 | 0.1° | 0.0° |
| C37 | C38 | BR3 | C40 | 180.0° | 179.9° |
| C38 | C37 | C36 | C42 | 0.0° | 0.1° |
| C37 | C38 | C40 | C41 | 0.1° | 0.1° |
| C37 | C38 | C40 | H35 | 179.9° | 179.9° |
| BR3 | C38 | C40 | C41 | 180.0° | 180.0° |
| BR3 | C38 | C37 | H34 | 0.0° | 0.1° |
| BR3 | C38 | C40 | H35 | 0.0° | 0.0° |
| C23 | N21 | C20 | H17 | 53.8° | 70.0° |
| C23 | N21 | C20 | H18 | 173.8° | 50.0° |
| C23 | N21 | C22 | H19 | 59.0° | 64.0° |
| C23 | N21 | C22 | H20 | 61.0° | 56.1° |
| C23 | N21 | C22 | H21 | 179.0° | 176.1° |
| N21 | C23 | H22 | H23 | 120.0° | 120.0° |
| N21 | C23 | H22 | H24 | 120.0° | 120.0° |
| N21 | C23 | H23 | H24 | 120.0° | 120.0° |
| C04 | C03 | O02 | N43 | 179.3° | 179.8° |
| C04 | C03 | N43 | C42 | 0.5° | 0.5° |
| C04 | C03 | O02 | C01 | 172.4° | 179.8° |
| C03 | C04 | C05 | H4 | 22.4° | 5.6° |
| C03 | C04 | C35 | H33 | 179.6° | 180.0° |
| C36 | C42 | N43 | C03 | 0.3° | 0.6° |
| C36 | C42 | N43 | C41 | 180.0° | 179.6° |
| C36 | C42 | C41 | C40 | 0.0° | 0.1° |
| C42 | C36 | C35 | H33 | 179.8° | 180.0° |
| C42 | C36 | C37 | H34 | 180.0° | 180.0° |
| C36 | C42 | C41 | H36 | 180.0° | 180.0° |
| O08 | C09 | H5 | H6 | 120.0° | 120.0° |
| O08 | C09 | H5 | H7 | 120.0° | 120.0° |
| O08 | C09 | H6 | H7 | 120.0° | 119.9° |
| C38 | C40 | C41 | C42 | 0.1° | 0.1° |
| C38 | C40 | C41 | H35 | 180.0° | 180.0° |
| C40 | C38 | C37 | H34 | 179.9° | 180.0° |
| C38 | C40 | C41 | H36 | 179.9° | 180.0° |
| O02 | C03 | N43 | C42 | 179.8° | 179.7° |
| C03 | O02 | C01 | H1 | 180.0° | 60.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 180.0° |
| C03 | N43 | C42 | C41 | 179.7° | 179.8° |
| N43 | C03 | O02 | C01 | 7.0° | 0.0° |
| N43 | C42 | C41 | C40 | 179.9° | 179.7° |
| N43 | C42 | C41 | H36 | 0.1° | 0.4° |
| C42 | C41 | C40 | H36 | 180.0° | 179.9° |
| C42 | C41 | C40 | H35 | 179.9° | 179.9° |
| O02 | C01 | H1 | H2 | 120.0° | 120.0° |
| O02 | C01 | H1 | H3 | 120.0° | 120.1° |
| O02 | C01 | H2 | H3 | 120.0° | 120.1° |
| H1 | C01 | H2 | H3 | 119.9° | 120.0° |
| H5 | C09 | H6 | H7 | 120.0° | 120.0° |
| H8 | C12 | H9 | H10 | 120.0° | 120.0° |
| H11 | C16 | H12 | H13 | 120.0° | 120.0° |
| H15 | C19 | C20 | H17 | 164.7° | 172.5° |
| H15 | C19 | C20 | H18 | 75.2° | 52.5° |
| H16 | C19 | C20 | H17 | 46.2° | 67.4° |
| H16 | C19 | C20 | H18 | 166.3° | 172.5° |
| H19 | C22 | H20 | H21 | 120.0° | 120.0° |
| H22 | C23 | H23 | H24 | 120.0° | 120.0° |
| H26 | C29 | H27 | H28 | 120.0° | 120.0° |
| H29 | C33 | H30 | H31 | 120.0° | 119.9° |
| H35 | C40 | C41 | H36 | 0.1° | 0.0° |
