DTJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | O42 | sing | 1.43Å | 1.44Å | |
| C41 | C40 | sing | 1.53Å | 1.53Å | |
| O42 | C43 | sing | 1.43Å | 1.43Å | |
| C40 | N39 | sing | 1.47Å | 1.47Å | |
| C43 | C44 | sing | 1.53Å | 1.54Å | |
| N39 | C44 | sing | 1.47Å | 1.48Å | |
| N39 | C37 | sing | 1.35Å | 1.35Å | |
| O38 | C37 | doub | 1.22Å | 1.21Å | |
| C37 | C34 | sing | 1.48Å | 1.47Å | |
| C34 | C35 | doub | 1.40Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.40Å | 1.41Å | Aromatic |
| C35 | N36 | sing | 1.32Å | 1.32Å | Aromatic |
| N36 | C31 | doub | 1.33Å | 1.33Å | Aromatic |
| C33 | C32 | doub | 1.37Å | 1.37Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | N30 | sing | 1.39Å | 1.38Å | |
| N30 | C24 | sing | 1.40Å | 1.40Å | |
| C24 | C23 | doub | 1.37Å | 1.37Å | |
| C24 | C25 | sing | 1.42Å | 1.41Å | |
| C23 | C22 | sing | 1.41Å | 1.41Å | |
| O26 | C25 | doub | 1.22Å | 1.23Å | |
| C25 | N27 | sing | 1.35Å | 1.34Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C18 | sing | 1.48Å | 1.48Å | |
| C22 | N28 | doub | 1.31Å | 1.31Å | |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| N27 | N28 | sing | 1.40Å | 1.40Å | |
| N27 | C29 | sing | 1.47Å | 1.46Å | |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C14 | N13 | sing | 1.40Å | 1.42Å | |
| C20 | O21 | sing | 1.43Å | 1.42Å | |
| N13 | C11 | sing | 1.35Å | 1.36Å | |
| O12 | C11 | doub | 1.22Å | 1.23Å | |
| C11 | C8 | sing | 1.48Å | 1.49Å | |
| C8 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| N13 | H14 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| O21 | H20 | sing | 0.97Å | 0.95Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| N30 | H25 | sing | 0.97Å | 1.00Å | |
| C32 | H26 | sing | 1.08Å | 1.08Å | |
| C33 | H27 | sing | 1.08Å | 1.08Å | |
| C35 | H28 | sing | 1.08Å | 1.08Å | |
| C40 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| C43 | H33 | sing | 1.09Å | 1.10Å | |
| C43 | H34 | sing | 1.09Å | 1.10Å | |
| C44 | H35 | sing | 1.09Å | 1.10Å | |
| C44 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O42 | C41 | C40 | 110.8° | 109.2° |
| C41 | O42 | C43 | 116.0° | 114.2° |
| O42 | C41 | H31 | 109.1° | 109.6° |
| O42 | C41 | H32 | 109.1° | 109.5° |
| C41 | C40 | N39 | 107.3° | 108.4° |
| C41 | C40 | H29 | 110.0° | 109.6° |
| C41 | C40 | H30 | 110.0° | 109.7° |
| C40 | C41 | H31 | 109.1° | 109.5° |
| C40 | C41 | H32 | 109.2° | 109.5° |
| O42 | C43 | C44 | 108.1° | 109.2° |
| O42 | C43 | H33 | 109.8° | 109.5° |
| O42 | C43 | H34 | 109.8° | 109.5° |
| C40 | N39 | C44 | 116.4° | 118.1° |
| C40 | N39 | C37 | 121.1° | 120.9° |
| N39 | C40 | H29 | 110.0° | 109.7° |
| N39 | C40 | H30 | 110.0° | 109.7° |
| C43 | C44 | N39 | 108.1° | 108.4° |
| C44 | C43 | H33 | 109.8° | 109.5° |
| C44 | C43 | H34 | 109.8° | 109.5° |
| C43 | C44 | H35 | 109.8° | 109.4° |
| C43 | C44 | H36 | 109.8° | 109.9° |
| C44 | N39 | C37 | 122.5° | 121.0° |
| N39 | C44 | H35 | 109.8° | 109.7° |
| N39 | C44 | H36 | 109.8° | 109.7° |
| N39 | C37 | O38 | 120.3° | 120.0° |
| N39 | C37 | C34 | 121.8° | 119.9° |
| O38 | C37 | C34 | 117.9° | 120.1° |
| C37 | C34 | C35 | 120.6° | 120.4° |
| C37 | C34 | C33 | 119.5° | 120.5° |
| C35 | C34 | C33 | 119.9° | 119.1° |
| C34 | C35 | N36 | 120.2° | 120.5° |
| C34 | C35 | H28 | 119.9° | 119.8° |
| C34 | C33 | C32 | 117.7° | 118.5° |
| C34 | C33 | H27 | 121.2° | 120.7° |
| C35 | N36 | C31 | 121.2° | 121.6° |
| N36 | C35 | H28 | 119.8° | 119.8° |
| N36 | C31 | C32 | 121.3° | 121.0° |
| N36 | C31 | N30 | 116.5° | 119.5° |
| C33 | C32 | C31 | 119.8° | 119.4° |
| C33 | C32 | H26 | 120.1° | 120.3° |
| C32 | C33 | H27 | 121.2° | 120.8° |
| C32 | C31 | N30 | 122.2° | 119.5° |
| C31 | C32 | H26 | 120.2° | 120.4° |
| C31 | N30 | C24 | 129.6° | 120.0° |
| C31 | N30 | H25 | 115.2° | 120.0° |
| N30 | C24 | C23 | 125.9° | 120.4° |
| N30 | C24 | C25 | 114.7° | 120.4° |
| C24 | N30 | H25 | 115.2° | 120.0° |
| C23 | C24 | C25 | 119.4° | 119.2° |
| C24 | C23 | C22 | 118.9° | 119.6° |
| C24 | C23 | H21 | 120.5° | 120.2° |
| C24 | C25 | O26 | 119.3° | 120.3° |
| C24 | C25 | N27 | 120.2° | 119.4° |
| C23 | C22 | C18 | 120.6° | 119.7° |
| C23 | C22 | N28 | 120.4° | 120.5° |
| C22 | C23 | H21 | 120.5° | 120.2° |
| O26 | C25 | N27 | 120.6° | 120.3° |
| C25 | N27 | N28 | 119.7° | 120.4° |
| C25 | N27 | C29 | 119.7° | 119.8° |
| C16 | C17 | C18 | 119.5° | 120.0° |
| C17 | C16 | C15 | 120.5° | 120.2° |
| C17 | C16 | H16 | 119.8° | 119.9° |
| C16 | C17 | H17 | 120.3° | 120.0° |
| C17 | C18 | C22 | 118.8° | 120.0° |
| C17 | C18 | C19 | 119.8° | 119.9° |
| C18 | C17 | H17 | 120.2° | 120.0° |
| C16 | C15 | C14 | 120.9° | 120.2° |
| C16 | C15 | H15 | 119.6° | 119.9° |
| C15 | C16 | H16 | 119.7° | 119.9° |
| C18 | C22 | N28 | 118.9° | 119.7° |
| C22 | C18 | C19 | 121.4° | 120.1° |
| C22 | N28 | N27 | 121.4° | 120.8° |
| C18 | C19 | C14 | 120.0° | 119.8° |
| C18 | C19 | C20 | 121.3° | 120.1° |
| N28 | N27 | C29 | 120.6° | 119.8° |
| N27 | C29 | H22 | 109.5° | 109.4° |
| N27 | C29 | H23 | 109.5° | 109.4° |
| N27 | C29 | H24 | 109.5° | 109.4° |
| C15 | C14 | C19 | 119.3° | 119.9° |
| C15 | C14 | N13 | 123.0° | 120.0° |
| C14 | C15 | H15 | 119.5° | 119.9° |
| C14 | C19 | C20 | 118.6° | 120.1° |
| C19 | C14 | N13 | 117.7° | 120.0° |
| C19 | C20 | O21 | 112.8° | 109.5° |
| C19 | C20 | H18 | 108.6° | 109.5° |
| C19 | C20 | H19 | 108.6° | 109.4° |
| C14 | N13 | C11 | 123.5° | 120.0° |
| C14 | N13 | H14 | 118.3° | 120.0° |
| O21 | C20 | H18 | 108.6° | 109.5° |
| O21 | C20 | H19 | 108.6° | 109.5° |
| C20 | O21 | H20 | 109.5° | 114.0° |
| N13 | C11 | O12 | 121.1° | 120.0° |
| N13 | C11 | C8 | 118.8° | 120.0° |
| C11 | N13 | H14 | 118.2° | 120.0° |
| O12 | C11 | C8 | 120.1° | 120.0° |
| C11 | C8 | C9 | 119.3° | 120.2° |
| C11 | C8 | C7 | 121.8° | 120.1° |
| C9 | C8 | C7 | 118.9° | 119.7° |
| C8 | C9 | C10 | 120.6° | 119.9° |
| C8 | C9 | H6 | 119.7° | 120.0° |
| C8 | C7 | C6 | 119.9° | 119.8° |
| C8 | C7 | H5 | 120.0° | 120.1° |
| C9 | C10 | C5 | 120.4° | 120.1° |
| C10 | C9 | H6 | 119.7° | 120.1° |
| C9 | C10 | H7 | 119.8° | 120.0° |
| C7 | C6 | C5 | 120.4° | 120.1° |
| C7 | C6 | H4 | 119.8° | 119.9° |
| C6 | C7 | H5 | 120.0° | 120.1° |
| C10 | C5 | C6 | 119.8° | 120.3° |
| C10 | C5 | C2 | 119.8° | 119.9° |
| C5 | C10 | H7 | 119.8° | 119.9° |
| C6 | C5 | C2 | 120.4° | 119.8° |
| C5 | C6 | H4 | 119.8° | 120.0° |
| C5 | C2 | C3 | 110.0° | 109.5° |
| C5 | C2 | C1 | 110.9° | 109.5° |
| C5 | C2 | C4 | 109.6° | 109.5° |
| C3 | C2 | C1 | 109.0° | 109.5° |
| C3 | C2 | C4 | 107.0° | 109.5° |
| C2 | C3 | H8 | 109.5° | 109.5° |
| C2 | C3 | H9 | 109.5° | 109.5° |
| C2 | C3 | H10 | 109.5° | 109.5° |
| C1 | C2 | C4 | 110.3° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.4° |
| C2 | C1 | H13 | 109.5° | 109.4° |
| C2 | C4 | H1 | 109.5° | 109.4° |
| C2 | C4 | H2 | 109.5° | 109.4° |
| C2 | C4 | H3 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.4° | 109.5° |
| H1 | C4 | H3 | 109.4° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H8 | C3 | H9 | 109.4° | 109.4° |
| H8 | C3 | H10 | 109.4° | 109.4° |
| H9 | C3 | H10 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.4° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H22 | C29 | H23 | 109.5° | 109.5° |
| H22 | C29 | H24 | 109.5° | 109.5° |
| H23 | C29 | H24 | 109.5° | 109.5° |
| H29 | C40 | H30 | 109.5° | 109.7° |
| H31 | C41 | H32 | 109.5° | 109.5° |
| H33 | C43 | H34 | 109.5° | 109.6° |
| H35 | C44 | H36 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O42 | C41 | C40 | H31 | 120.2° | 119.9° |
| O42 | C41 | C40 | H32 | 120.2° | 119.9° |
| O42 | C41 | C40 | N39 | 53.5° | 52.3° |
| C41 | O42 | C43 | C44 | 56.6° | 62.6° |
| O42 | C41 | C40 | H29 | 173.2° | 172.1° |
| O42 | C41 | C40 | H30 | 66.1° | 67.4° |
| O42 | C41 | H31 | H32 | 119.4° | 120.2° |
| C41 | O42 | C43 | H33 | 63.2° | 57.3° |
| C41 | O42 | C43 | H34 | 176.4° | 177.5° |
| C40 | C41 | O42 | C43 | 0.1° | 62.6° |
| C41 | C40 | N39 | H29 | 119.7° | 119.7° |
| C41 | C40 | N39 | H30 | 119.6° | 119.7° |
| C41 | C40 | N39 | C44 | 51.2° | 50.5° |
| C41 | C40 | N39 | C37 | 129.4° | 129.7° |
| C41 | C40 | H29 | H30 | 121.0° | 120.5° |
| C40 | C41 | H31 | H32 | 119.4° | 120.1° |
| O42 | C43 | C44 | H33 | 119.8° | 119.9° |
| O42 | C43 | C44 | H34 | 119.8° | 120.0° |
| O42 | C43 | C44 | N39 | 57.4° | 52.3° |
| C43 | O42 | C41 | H31 | 120.1° | 57.3° |
| C43 | O42 | C41 | H32 | 120.3° | 177.5° |
| O42 | C43 | H33 | H34 | 120.6° | 120.1° |
| O42 | C43 | C44 | H35 | 177.2° | 67.3° |
| O42 | C43 | C44 | H36 | 62.4° | 172.2° |
| C40 | N39 | C44 | C43 | 3.1° | 50.5° |
| C40 | N39 | C44 | C37 | 179.4° | 179.8° |
| C40 | N39 | C37 | O38 | 0.1° | 6.1° |
| C40 | N39 | C37 | C34 | 179.6° | 173.8° |
| N39 | C40 | H29 | H30 | 121.0° | 120.5° |
| N39 | C40 | C41 | H31 | 66.7° | 67.6° |
| N39 | C40 | C41 | H32 | 173.7° | 172.2° |
| C40 | N39 | C44 | H35 | 122.9° | 68.9° |
| C40 | N39 | C44 | H36 | 116.7° | 170.5° |
| C43 | C44 | N39 | H35 | 119.8° | 119.4° |
| C43 | C44 | N39 | H36 | 119.8° | 120.0° |
| C43 | C44 | N39 | C37 | 176.3° | 129.7° |
| C44 | C43 | H33 | H34 | 120.7° | 120.1° |
| C43 | C44 | H35 | H36 | 120.6° | 120.6° |
| C44 | N39 | C37 | O38 | 179.3° | 174.1° |
| C44 | N39 | C37 | C34 | 1.0° | 6.0° |
| C44 | N39 | C40 | H29 | 170.9° | 170.2° |
| C44 | N39 | C40 | H30 | 68.5° | 69.2° |
| N39 | C44 | C43 | H33 | 62.3° | 67.6° |
| N39 | C44 | C43 | H34 | 177.2° | 172.2° |
| N39 | C44 | H35 | H36 | 120.6° | 120.6° |
| N39 | C37 | O38 | C34 | 179.7° | 179.9° |
| N39 | C37 | C34 | C35 | 53.4° | 143.5° |
| N39 | C37 | C34 | C33 | 128.5° | 36.8° |
| C37 | N39 | C40 | H29 | 9.7° | 10.0° |
| C37 | N39 | C40 | H30 | 111.0° | 110.6° |
| C37 | N39 | C44 | H35 | 56.5° | 110.9° |
| C37 | N39 | C44 | H36 | 63.9° | 9.7° |
| O38 | C37 | C34 | C35 | 126.4° | 36.6° |
| O38 | C37 | C34 | C33 | 51.8° | 143.2° |
| C37 | C34 | C35 | C33 | 178.1° | 179.7° |
| C37 | C34 | C35 | N36 | 179.6° | 180.0° |
| C37 | C34 | C33 | C32 | 179.3° | 179.7° |
| C37 | C34 | C33 | H27 | 0.7° | 0.3° |
| C37 | C34 | C35 | H28 | 0.4° | 0.3° |
| C34 | C35 | N36 | H28 | 180.0° | 179.7° |
| C34 | C35 | N36 | C31 | 1.1° | 0.6° |
| C35 | C34 | C33 | C32 | 1.2° | 0.0° |
| C35 | C34 | C33 | H27 | 178.8° | 180.0° |
| C33 | C34 | C35 | N36 | 1.5° | 0.3° |
| C34 | C33 | C32 | H27 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 0.4° | 0.0° |
| C34 | C33 | C32 | H26 | 179.6° | 180.0° |
| C33 | C34 | C35 | H28 | 178.5° | 180.0° |
| C35 | N36 | C31 | C32 | 0.3° | 0.6° |
| C35 | N36 | C31 | N30 | 179.5° | 179.7° |
| N36 | C31 | C32 | C33 | 0.0° | 0.2° |
| N36 | C31 | C32 | N30 | 179.2° | 179.7° |
| N36 | C31 | N30 | C24 | 170.5° | 178.4° |
| N36 | C31 | N30 | H25 | 9.5° | 1.6° |
| N36 | C31 | C32 | H26 | 179.9° | 179.7° |
| C31 | N36 | C35 | H28 | 178.9° | 179.7° |
| C33 | C32 | C31 | H26 | 180.0° | 180.0° |
| C33 | C32 | C31 | N30 | 179.2° | 179.9° |
| C32 | C31 | N30 | C24 | 10.3° | 1.3° |
| C32 | C31 | N30 | H25 | 169.7° | 178.7° |
| C31 | C32 | C33 | H27 | 179.6° | 180.0° |
| C31 | N30 | C24 | H25 | 180.0° | 180.0° |
| C31 | N30 | C24 | C23 | 2.6° | 121.2° |
| C31 | N30 | C24 | C25 | 177.7° | 58.8° |
| N30 | C31 | C32 | H26 | 0.8° | 0.0° |
| N30 | C24 | C23 | C25 | 179.7° | 180.0° |
| N30 | C24 | C23 | C22 | 179.4° | 179.9° |
| N30 | C24 | C25 | O26 | 0.9° | 0.0° |
| N30 | C24 | C25 | N27 | 179.7° | 179.9° |
| N30 | C24 | C23 | H21 | 0.6° | 0.0° |
| C24 | C23 | C22 | H21 | 180.0° | 180.0° |
| C23 | C24 | C25 | O26 | 178.8° | 180.0° |
| C23 | C24 | C25 | N27 | 0.1° | 0.0° |
| C24 | C23 | C22 | C18 | 178.4° | 180.0° |
| C24 | C23 | C22 | N28 | 0.5° | 0.3° |
| C23 | C24 | N30 | H25 | 177.4° | 58.8° |
| C25 | C24 | C23 | C22 | 0.9° | 0.0° |
| C24 | C25 | O26 | N27 | 178.8° | 180.0° |
| C24 | C25 | N27 | N28 | 1.4° | 0.3° |
| C24 | C25 | N27 | C29 | 179.0° | 180.0° |
| C25 | C24 | C23 | H21 | 179.1° | 180.0° |
| C25 | C24 | N30 | H25 | 2.3° | 121.2° |
| C23 | C22 | C18 | C17 | 46.9° | 114.8° |
| C23 | C22 | C18 | N28 | 178.9° | 179.7° |
| C23 | C22 | C18 | C19 | 135.9° | 64.9° |
| C23 | C22 | N28 | N27 | 1.0° | 0.5° |
| O26 | C25 | N27 | N28 | 179.8° | 179.8° |
| O26 | C25 | N27 | C29 | 0.3° | 0.0° |
| C25 | N27 | N28 | C22 | 1.9° | 0.5° |
| C25 | N27 | N28 | C29 | 179.5° | 179.7° |
| C25 | N27 | C29 | H22 | 179.5° | 90.0° |
| C25 | N27 | C29 | H23 | 60.5° | 150.0° |
| C25 | N27 | C29 | H24 | 59.5° | 30.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C16 | C17 | C18 | C22 | 179.0° | 180.0° |
| C16 | C17 | C18 | C19 | 1.7° | 0.3° |
| C17 | C16 | C15 | C14 | 1.0° | 0.0° |
| C17 | C16 | C15 | H15 | 179.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.3° | 0.0° |
| C17 | C18 | C22 | C19 | 177.2° | 179.8° |
| C17 | C18 | C22 | N28 | 132.0° | 65.5° |
| C17 | C18 | C19 | C14 | 2.0° | 0.5° |
| C17 | C18 | C19 | C20 | 178.9° | 180.0° |
| C18 | C17 | C16 | H16 | 179.8° | 179.9° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C16 | C15 | C14 | C19 | 0.7° | 0.2° |
| C16 | C15 | C14 | N13 | 179.7° | 180.0° |
| C15 | C16 | C17 | H17 | 179.7° | 179.9° |
| C18 | C22 | N28 | N27 | 179.9° | 179.8° |
| C22 | C18 | C19 | C14 | 179.2° | 179.7° |
| C22 | C18 | C19 | C20 | 3.9° | 0.2° |
| C22 | C18 | C17 | H17 | 1.1° | 0.1° |
| C18 | C22 | C23 | H21 | 1.6° | 0.1° |
| N28 | C22 | C18 | C19 | 45.2° | 114.8° |
| C22 | N28 | N27 | C29 | 178.5° | 179.7° |
| N28 | C22 | C23 | H21 | 179.5° | 179.7° |
| C18 | C19 | C14 | C15 | 0.8° | 0.5° |
| C18 | C19 | C14 | C20 | 177.0° | 179.5° |
| C18 | C19 | C14 | N13 | 178.8° | 179.8° |
| C18 | C19 | C20 | O21 | 104.7° | 86.2° |
| C19 | C18 | C17 | H17 | 178.3° | 179.8° |
| C18 | C19 | C20 | H18 | 134.8° | 153.8° |
| C18 | C19 | C20 | H19 | 15.8° | 33.8° |
| N28 | N27 | C29 | H22 | 0.0° | 89.7° |
| N28 | N27 | C29 | H23 | 120.0° | 30.2° |
| N28 | N27 | C29 | H24 | 120.0° | 150.3° |
| N27 | C29 | H22 | H23 | 120.0° | 119.9° |
| N27 | C29 | H22 | H24 | 120.0° | 120.0° |
| N27 | C29 | H23 | H24 | 120.0° | 120.0° |
| C15 | C14 | C19 | N13 | 179.6° | 179.8° |
| C15 | C14 | C19 | C20 | 177.8° | 180.0° |
| C15 | C14 | N13 | C11 | 87.5° | 24.0° |
| C15 | C14 | N13 | H14 | 92.5° | 156.0° |
| C14 | C15 | C16 | H16 | 179.0° | 180.0° |
| C14 | C19 | C20 | O21 | 78.3° | 94.3° |
| C19 | C14 | N13 | C11 | 92.9° | 156.3° |
| C19 | C14 | N13 | H14 | 87.1° | 23.7° |
| C19 | C14 | C15 | H15 | 179.3° | 179.7° |
| C14 | C19 | C20 | H18 | 42.2° | 25.7° |
| C14 | C19 | C20 | H19 | 161.2° | 145.7° |
| C20 | C19 | C14 | N13 | 1.8° | 0.2° |
| C19 | C20 | O21 | H18 | 120.5° | 120.0° |
| C19 | C20 | O21 | H19 | 120.5° | 120.0° |
| C19 | C20 | H18 | H19 | 118.4° | 120.0° |
| C19 | C20 | O21 | H20 | 180.0° | 180.0° |
| C14 | N13 | C11 | H14 | 180.0° | 180.0° |
| C14 | N13 | C11 | O12 | 3.2° | 4.9° |
| C14 | N13 | C11 | C8 | 178.2° | 175.1° |
| N13 | C14 | C15 | H15 | 0.3° | 0.0° |
| O21 | C20 | H18 | H19 | 118.5° | 120.0° |
| N13 | C11 | O12 | C8 | 178.6° | 180.0° |
| N13 | C11 | C8 | C9 | 20.4° | 180.0° |
| N13 | C11 | C8 | C7 | 160.2° | 0.0° |
| O12 | C11 | C8 | C9 | 161.0° | 0.0° |
| O12 | C11 | C8 | C7 | 18.5° | 180.0° |
| O12 | C11 | N13 | H14 | 176.7° | 175.2° |
| C11 | C8 | C9 | C7 | 179.5° | 180.0° |
| C11 | C8 | C9 | C10 | 180.0° | 179.8° |
| C11 | C8 | C7 | C6 | 179.5° | 180.0° |
| C11 | C8 | C7 | H5 | 0.5° | 0.0° |
| C11 | C8 | C9 | H6 | 0.0° | 0.0° |
| C8 | C11 | N13 | H14 | 1.8° | 4.8° |
| C8 | C9 | C10 | H6 | 180.0° | 179.8° |
| C9 | C8 | C7 | C6 | 1.1° | 0.0° |
| C8 | C9 | C10 | C5 | 0.4° | 0.5° |
| C9 | C8 | C7 | H5 | 178.9° | 179.9° |
| C8 | C9 | C10 | H7 | 179.6° | 179.9° |
| C7 | C8 | C9 | C10 | 0.5° | 0.3° |
| C8 | C7 | C6 | H5 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 1.5° | 0.0° |
| C8 | C7 | C6 | H4 | 178.5° | 180.0° |
| C7 | C8 | C9 | H6 | 179.4° | 180.0° |
| C9 | C10 | C5 | H7 | 180.0° | 179.5° |
| C9 | C10 | C5 | C6 | 0.9° | 0.5° |
| C9 | C10 | C5 | C2 | 179.3° | 179.8° |
| C7 | C6 | C5 | C10 | 1.4° | 0.3° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | C2 | 179.8° | 180.0° |
| C10 | C5 | C6 | C2 | 178.4° | 179.7° |
| C10 | C5 | C2 | C3 | 63.5° | 120.3° |
| C10 | C5 | C2 | C1 | 57.2° | 119.7° |
| C10 | C5 | C2 | C4 | 179.1° | 0.3° |
| C10 | C5 | C6 | H4 | 178.6° | 179.7° |
| C5 | C10 | C9 | H6 | 179.5° | 179.7° |
| C6 | C5 | C2 | C3 | 115.0° | 60.0° |
| C6 | C5 | C2 | C1 | 124.4° | 60.0° |
| C6 | C5 | C2 | C4 | 2.4° | 180.0° |
| C5 | C6 | C7 | H5 | 178.5° | 179.9° |
| C6 | C5 | C10 | H7 | 179.1° | 179.9° |
| C5 | C2 | C3 | C1 | 121.8° | 120.0° |
| C5 | C2 | C3 | C4 | 119.0° | 120.0° |
| C5 | C2 | C1 | C4 | 121.6° | 120.0° |
| C5 | C2 | C4 | H1 | 180.0° | 60.0° |
| C5 | C2 | C4 | H2 | 60.0° | 180.0° |
| C5 | C2 | C4 | H3 | 60.0° | 60.0° |
| C2 | C5 | C6 | H4 | 0.2° | 0.0° |
| C2 | C5 | C10 | H7 | 0.7° | 0.2° |
| C5 | C2 | C3 | H8 | 180.0° | 60.0° |
| C5 | C2 | C3 | H9 | 60.0° | 180.0° |
| C5 | C2 | C3 | H10 | 60.0° | 60.0° |
| C5 | C2 | C1 | H11 | 180.0° | 60.0° |
| C5 | C2 | C1 | H12 | 60.0° | 180.0° |
| C5 | C2 | C1 | H13 | 60.0° | 60.0° |
| C3 | C2 | C1 | C4 | 117.2° | 120.0° |
| C3 | C2 | C4 | H1 | 60.7° | 180.0° |
| C3 | C2 | C4 | H2 | 179.3° | 60.0° |
| C3 | C2 | C4 | H3 | 59.3° | 60.0° |
| C2 | C3 | H8 | H9 | 120.0° | 120.0° |
| C2 | C3 | H8 | H10 | 120.0° | 120.0° |
| C2 | C3 | H9 | H10 | 120.0° | 120.0° |
| C3 | C2 | C1 | H11 | 58.8° | 60.0° |
| C3 | C2 | C1 | H12 | 61.3° | 60.0° |
| C3 | C2 | C1 | H13 | 178.8° | 180.0° |
| C1 | C2 | C4 | H1 | 57.7° | 60.0° |
| C1 | C2 | C4 | H2 | 62.3° | 60.0° |
| C1 | C2 | C4 | H3 | 177.7° | 180.0° |
| C1 | C2 | C3 | H8 | 58.2° | 180.0° |
| C1 | C2 | C3 | H9 | 178.2° | 60.0° |
| C1 | C2 | C3 | H10 | 61.7° | 60.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 119.9° |
| C2 | C4 | H1 | H2 | 120.0° | 119.9° |
| C2 | C4 | H1 | H3 | 120.0° | 120.0° |
| C2 | C4 | H2 | H3 | 120.0° | 120.0° |
| C4 | C2 | C3 | H8 | 61.0° | 60.0° |
| C4 | C2 | C3 | H9 | 59.0° | 60.0° |
| C4 | C2 | C3 | H10 | 179.0° | 180.0° |
| C4 | C2 | C1 | H11 | 58.4° | 180.0° |
| C4 | C2 | C1 | H12 | 178.5° | 60.0° |
| C4 | C2 | C1 | H13 | 61.6° | 60.0° |
| H1 | C4 | H2 | H3 | 120.0° | 120.1° |
| H4 | C6 | C7 | H5 | 1.5° | 0.1° |
| H6 | C9 | C10 | H7 | 0.4° | 0.2° |
| H8 | C3 | H9 | H10 | 120.0° | 119.9° |
| H11 | C1 | H12 | H13 | 120.0° | 120.1° |
| H15 | C15 | C16 | H16 | 1.0° | 0.1° |
| H16 | C16 | C17 | H17 | 0.2° | 0.0° |
| H18 | C20 | O21 | H20 | 59.5° | 60.0° |
| H19 | C20 | O21 | H20 | 59.6° | 60.0° |
| H22 | C29 | H23 | H24 | 120.0° | 120.1° |
| H26 | C32 | C33 | H27 | 0.4° | 0.0° |
| H29 | C40 | C41 | H31 | 53.0° | 52.1° |
| H29 | C40 | C41 | H32 | 66.6° | 68.0° |
| H30 | C40 | C41 | H31 | 173.7° | 172.6° |
| H30 | C40 | C41 | H32 | 54.1° | 52.5° |
| H33 | C43 | C44 | H35 | 57.4° | 172.8° |
| H33 | C43 | C44 | H36 | 177.9° | 52.3° |
| H34 | C43 | C44 | H35 | 63.0° | 52.7° |
| H34 | C43 | C44 | H36 | 57.4° | 67.9° |
