2MK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.41Å | |
| C29 | O28 | sing | 1.45Å | 1.42Å | |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C38 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| O28 | C27 | sing | 1.35Å | 1.37Å | |
| C27 | O36 | doub | 1.21Å | 1.23Å | |
| C27 | N26 | sing | 1.35Å | 1.35Å | |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| N26 | C25 | sing | 1.47Å | 1.47Å | |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.51Å | 1.53Å | |
| C24 | N23 | sing | 1.35Å | 1.35Å | |
| C24 | O41 | doub | 1.21Å | 1.23Å | |
| N23 | C22 | sing | 1.47Å | 1.48Å | |
| C22 | C42 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.51Å | 1.53Å | |
| C42 | C43 | sing | 1.53Å | 1.54Å | |
| O46 | C21 | doub | 1.21Å | 1.23Å | |
| C44 | C43 | sing | 1.53Å | 1.54Å | |
| C21 | N20 | sing | 1.35Å | 1.34Å | |
| C43 | C45 | sing | 1.53Å | 1.53Å | |
| C19 | C13 | sing | 1.53Å | 1.54Å | |
| N20 | C11 | sing | 1.46Å | 1.47Å | |
| C13 | C47 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | C1 | sing | 1.53Å | 1.54Å | |
| C9 | C1 | sing | 1.53Å | 1.55Å | |
| C1 | O10 | sing | 1.43Å | 1.45Å | |
| C9 | O1 | sing | 1.43Å | 1.48Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| O10 | H6 | sing | 0.97Å | 0.95Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C47 | H10 | sing | 1.09Å | 1.10Å | |
| C47 | H11 | sing | 1.09Å | 1.10Å | |
| C47 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| N20 | H16 | sing | 0.97Å | 1.00Å | |
| C42 | H17 | sing | 1.09Å | 1.10Å | |
| C42 | H18 | sing | 1.09Å | 1.10Å | |
| C43 | H19 | sing | 1.09Å | 1.10Å | |
| C45 | H20 | sing | 1.09Å | 1.10Å | |
| C45 | H21 | sing | 1.09Å | 1.10Å | |
| C45 | H22 | sing | 1.09Å | 1.10Å | |
| C44 | H23 | sing | 1.09Å | 1.10Å | |
| C44 | H24 | sing | 1.09Å | 1.10Å | |
| C44 | H25 | sing | 1.09Å | 1.10Å | |
| N23 | H26 | sing | 0.97Å | 1.00Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H30 | sing | 1.09Å | 1.10Å | |
| C40 | H31 | sing | 1.09Å | 1.10Å | |
| C40 | H32 | sing | 1.09Å | 1.10Å | |
| C40 | H33 | sing | 1.09Å | 1.10Å | |
| C39 | H34 | sing | 1.09Å | 1.10Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| N26 | H37 | sing | 0.97Å | 1.00Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.08Å | 1.08Å | |
| C32 | H41 | sing | 1.08Å | 1.08Å | |
| C33 | H42 | sing | 1.08Å | 1.08Å | |
| C34 | H43 | sing | 1.08Å | 1.08Å | |
| C35 | H44 | sing | 1.08Å | 1.08Å | |
| O1 | H45 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C35 | C30 | 120.7° | 120.0° |
| C35 | C34 | C33 | 120.1° | 120.0° |
| C35 | C34 | H43 | 119.9° | 120.0° |
| C34 | C35 | H44 | 119.6° | 120.0° |
| C35 | C30 | C29 | 120.7° | 120.0° |
| C35 | C30 | C31 | 118.8° | 120.0° |
| C30 | C35 | H44 | 119.7° | 120.0° |
| C30 | C29 | O28 | 106.9° | 109.5° |
| C29 | C30 | C31 | 120.5° | 120.0° |
| C30 | C29 | H38 | 110.1° | 109.5° |
| C30 | C29 | H39 | 110.1° | 109.5° |
| C29 | O28 | C27 | 116.9° | 117.0° |
| O28 | C29 | H38 | 110.1° | 109.4° |
| O28 | C29 | H39 | 110.1° | 109.5° |
| C34 | C33 | C32 | 119.7° | 119.9° |
| C34 | C33 | H42 | 120.2° | 120.0° |
| C33 | C34 | H43 | 120.0° | 119.9° |
| C40 | C38 | C39 | 109.4° | 109.5° |
| C40 | C38 | C37 | 109.8° | 109.5° |
| C40 | C38 | H30 | 109.4° | 109.5° |
| C38 | C40 | H31 | 109.5° | 109.5° |
| C38 | C40 | H32 | 109.5° | 109.5° |
| C38 | C40 | H33 | 109.4° | 109.5° |
| C30 | C31 | C32 | 120.4° | 120.0° |
| C30 | C31 | H40 | 119.8° | 120.0° |
| C39 | C38 | C37 | 109.5° | 109.4° |
| C39 | C38 | H30 | 109.4° | 109.5° |
| C38 | C39 | H34 | 109.5° | 109.5° |
| C38 | C39 | H35 | 109.5° | 109.5° |
| C38 | C39 | H36 | 109.5° | 109.5° |
| C38 | C37 | C25 | 110.9° | 109.5° |
| C38 | C37 | H28 | 109.1° | 109.5° |
| C38 | C37 | H29 | 109.1° | 109.5° |
| C37 | C38 | H30 | 109.4° | 109.5° |
| O28 | C27 | O36 | 121.3° | 120.0° |
| O28 | C27 | N26 | 118.9° | 120.0° |
| O36 | C27 | N26 | 119.8° | 120.0° |
| C27 | N26 | C25 | 122.3° | 120.0° |
| C27 | N26 | H37 | 118.9° | 120.0° |
| C33 | C32 | C31 | 120.3° | 120.0° |
| C33 | C32 | H41 | 119.8° | 120.0° |
| C32 | C33 | H42 | 120.2° | 120.0° |
| N26 | C25 | C37 | 110.0° | 109.4° |
| N26 | C25 | C24 | 108.3° | 109.5° |
| N26 | C25 | H27 | 110.5° | 109.5° |
| C25 | N26 | H37 | 118.8° | 120.0° |
| C32 | C31 | H40 | 119.8° | 120.0° |
| C31 | C32 | H41 | 119.9° | 120.0° |
| C37 | C25 | C24 | 108.7° | 109.4° |
| C37 | C25 | H27 | 109.7° | 109.5° |
| C25 | C37 | H28 | 109.1° | 109.5° |
| C25 | C37 | H29 | 109.1° | 109.5° |
| C25 | C24 | N23 | 116.1° | 120.0° |
| C25 | C24 | O41 | 119.9° | 120.0° |
| C24 | C25 | H27 | 109.7° | 109.5° |
| N23 | C24 | O41 | 124.0° | 120.0° |
| C24 | N23 | C22 | 121.7° | 120.0° |
| C24 | N23 | H26 | 119.2° | 120.0° |
| N23 | C22 | C42 | 110.2° | 109.5° |
| N23 | C22 | C21 | 109.2° | 109.4° |
| N23 | C22 | H2 | 109.1° | 109.5° |
| C22 | N23 | H26 | 119.1° | 120.0° |
| C42 | C22 | C21 | 111.5° | 109.5° |
| C22 | C42 | C43 | 110.5° | 109.5° |
| C42 | C22 | H2 | 108.4° | 109.5° |
| C22 | C42 | H17 | 109.2° | 109.5° |
| C22 | C42 | H18 | 109.2° | 109.5° |
| C22 | C21 | O46 | 121.4° | 120.0° |
| C22 | C21 | N20 | 114.1° | 120.0° |
| C21 | C22 | H2 | 108.4° | 109.5° |
| C42 | C43 | C44 | 111.0° | 109.5° |
| C42 | C43 | C45 | 108.3° | 109.4° |
| C43 | C42 | H17 | 109.2° | 109.4° |
| C43 | C42 | H18 | 109.2° | 109.5° |
| C42 | C43 | H19 | 109.1° | 109.5° |
| O46 | C21 | N20 | 124.5° | 120.0° |
| C44 | C43 | C45 | 110.1° | 109.5° |
| C44 | C43 | H19 | 109.1° | 109.5° |
| C43 | C44 | H23 | 109.5° | 109.5° |
| C43 | C44 | H24 | 109.5° | 109.4° |
| C43 | C44 | H25 | 109.5° | 109.4° |
| C21 | N20 | C11 | 123.0° | 120.0° |
| C21 | N20 | H16 | 118.5° | 120.0° |
| C45 | C43 | H19 | 109.2° | 109.5° |
| C43 | C45 | H20 | 109.5° | 109.5° |
| C43 | C45 | H21 | 109.5° | 109.5° |
| C43 | C45 | H22 | 109.4° | 109.4° |
| C19 | C13 | C47 | 110.0° | 109.4° |
| C19 | C13 | C12 | 111.3° | 109.5° |
| C19 | C13 | H1 | 109.0° | 109.4° |
| C13 | C19 | H13 | 109.5° | 109.5° |
| C13 | C19 | H14 | 109.5° | 109.5° |
| C13 | C19 | H15 | 109.5° | 109.5° |
| N20 | C11 | C12 | 103.6° | 109.5° |
| N20 | C11 | C1 | 110.9° | 109.4° |
| N20 | C11 | H7 | 110.8° | 109.5° |
| C11 | N20 | H16 | 118.5° | 119.9° |
| C47 | C13 | C12 | 108.4° | 109.5° |
| C47 | C13 | H1 | 109.0° | 109.4° |
| C13 | C47 | H10 | 109.5° | 109.4° |
| C13 | C47 | H11 | 109.5° | 109.5° |
| C13 | C47 | H12 | 109.5° | 109.5° |
| C13 | C12 | C11 | 114.4° | 109.4° |
| C12 | C13 | H1 | 109.1° | 109.5° |
| C13 | C12 | H8 | 108.2° | 109.4° |
| C13 | C12 | H9 | 108.2° | 109.5° |
| C12 | C11 | C1 | 112.1° | 109.4° |
| C12 | C11 | H7 | 109.7° | 109.5° |
| C11 | C12 | H8 | 108.2° | 109.5° |
| C11 | C12 | H9 | 108.2° | 109.5° |
| C11 | C1 | C9 | 110.5° | 109.4° |
| C11 | C1 | O10 | 108.3° | 109.5° |
| C11 | C1 | H5 | 108.5° | 109.5° |
| C1 | C11 | H7 | 109.7° | 109.5° |
| C9 | C1 | O10 | 111.2° | 109.5° |
| C1 | C9 | O1 | 113.6° | 109.5° |
| C1 | C9 | H3 | 108.4° | 109.5° |
| C1 | C9 | H4 | 108.4° | 109.5° |
| C9 | C1 | H5 | 108.4° | 109.5° |
| O10 | C1 | H5 | 109.8° | 109.5° |
| C1 | O10 | H6 | 109.5° | 114.0° |
| O1 | C9 | H3 | 108.4° | 109.5° |
| O1 | C9 | H4 | 108.4° | 109.4° |
| C9 | O1 | H45 | 109.5° | 114.0° |
| H3 | C9 | H4 | 109.4° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.4° |
| H10 | C47 | H11 | 109.5° | 109.5° |
| H10 | C47 | H12 | 109.5° | 109.4° |
| H11 | C47 | H12 | 109.4° | 109.5° |
| H13 | C19 | H14 | 109.4° | 109.5° |
| H13 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.4° | 109.4° |
| H17 | C42 | H18 | 109.5° | 109.4° |
| H20 | C45 | H21 | 109.5° | 109.5° |
| H20 | C45 | H22 | 109.5° | 109.5° |
| H21 | C45 | H22 | 109.5° | 109.5° |
| H23 | C44 | H24 | 109.4° | 109.5° |
| H23 | C44 | H25 | 109.5° | 109.5° |
| H24 | C44 | H25 | 109.5° | 109.4° |
| H28 | C37 | H29 | 109.4° | 109.5° |
| H31 | C40 | H32 | 109.4° | 109.5° |
| H31 | C40 | H33 | 109.5° | 109.4° |
| H32 | C40 | H33 | 109.5° | 109.5° |
| H34 | C39 | H35 | 109.5° | 109.5° |
| H34 | C39 | H36 | 109.4° | 109.5° |
| H35 | C39 | H36 | 109.5° | 109.4° |
| H38 | C29 | H39 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C35 | C30 | H44 | 180.0° | 179.9° |
| C34 | C35 | C30 | C29 | 179.6° | 180.0° |
| C35 | C34 | C33 | H43 | 180.0° | 180.0° |
| C34 | C35 | C30 | C31 | 0.6° | 0.3° |
| C35 | C34 | C33 | C32 | 0.0° | 0.0° |
| C35 | C34 | C33 | H42 | 180.0° | 179.9° |
| C35 | C30 | C29 | C31 | 179.0° | 179.7° |
| C35 | C30 | C29 | O28 | 131.1° | 89.7° |
| C30 | C35 | C34 | C33 | 0.3° | 0.1° |
| C35 | C30 | C31 | C32 | 0.6° | 0.5° |
| C35 | C30 | C29 | H38 | 109.4° | 150.3° |
| C35 | C30 | C29 | H39 | 11.5° | 30.3° |
| C35 | C30 | C31 | H40 | 179.4° | 179.7° |
| C30 | C35 | C34 | H43 | 179.7° | 179.9° |
| C30 | C29 | O28 | H38 | 119.6° | 120.0° |
| C30 | C29 | O28 | H39 | 119.6° | 120.0° |
| C30 | C29 | O28 | C27 | 132.9° | 180.0° |
| C29 | C30 | C31 | C32 | 179.5° | 179.8° |
| C30 | C29 | H38 | H39 | 121.2° | 120.0° |
| C29 | C30 | C31 | H40 | 0.4° | 0.0° |
| C29 | C30 | C35 | H44 | 0.4° | 0.1° |
| O28 | C29 | C30 | C31 | 50.0° | 90.0° |
| C29 | O28 | C27 | O36 | 21.6° | 0.0° |
| C29 | O28 | C27 | N26 | 159.5° | 179.7° |
| O28 | C29 | H38 | H39 | 121.2° | 120.0° |
| C34 | C33 | C32 | H42 | 180.0° | 179.9° |
| C34 | C33 | C32 | C31 | 0.1° | 0.2° |
| C34 | C33 | C32 | H41 | 179.9° | 179.9° |
| C33 | C34 | C35 | H44 | 179.7° | 180.0° |
| C40 | C38 | C39 | C37 | 120.4° | 120.0° |
| C40 | C38 | C39 | H30 | 119.8° | 120.0° |
| C40 | C38 | C37 | H30 | 120.0° | 120.0° |
| C40 | C38 | C37 | C25 | 86.9° | 65.0° |
| C40 | C38 | C37 | H28 | 33.3° | 175.0° |
| C40 | C38 | C37 | H29 | 152.8° | 55.0° |
| C38 | C40 | H31 | H32 | 120.0° | 120.1° |
| C38 | C40 | H31 | H33 | 120.0° | 120.0° |
| C38 | C40 | H32 | H33 | 120.0° | 120.0° |
| C40 | C38 | C39 | H34 | 180.0° | 60.0° |
| C40 | C38 | C39 | H35 | 60.0° | 60.0° |
| C40 | C38 | C39 | H36 | 60.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.2° | 0.4° |
| C30 | C31 | C32 | H40 | 180.0° | 179.8° |
| C31 | C30 | C29 | H38 | 69.6° | 30.0° |
| C31 | C30 | C29 | H39 | 169.6° | 150.0° |
| C30 | C31 | C32 | H41 | 179.8° | 179.7° |
| C31 | C30 | C35 | H44 | 179.4° | 179.7° |
| C39 | C38 | C37 | H30 | 119.8° | 120.0° |
| C39 | C38 | C37 | C25 | 152.9° | 175.0° |
| C39 | C38 | C37 | H28 | 86.8° | 55.0° |
| C39 | C38 | C37 | H29 | 32.7° | 65.0° |
| C39 | C38 | C40 | H31 | 180.0° | 180.0° |
| C39 | C38 | C40 | H32 | 60.0° | 60.0° |
| C39 | C38 | C40 | H33 | 60.0° | 60.0° |
| C38 | C39 | H34 | H35 | 120.0° | 120.0° |
| C38 | C39 | H34 | H36 | 120.0° | 120.1° |
| C38 | C39 | H35 | H36 | 120.0° | 120.0° |
| C38 | C37 | C25 | N26 | 67.9° | 65.0° |
| C38 | C37 | C25 | H28 | 120.2° | 120.0° |
| C38 | C37 | C25 | H29 | 120.2° | 120.0° |
| C38 | C37 | C25 | C24 | 173.7° | 175.0° |
| C38 | C37 | C25 | H27 | 53.8° | 55.0° |
| C38 | C37 | H28 | H29 | 119.3° | 120.0° |
| C37 | C38 | C40 | H31 | 59.8° | 60.0° |
| C37 | C38 | C40 | H32 | 179.8° | 180.0° |
| C37 | C38 | C40 | H33 | 60.2° | 60.0° |
| C37 | C38 | C39 | H34 | 59.6° | 60.0° |
| C37 | C38 | C39 | H35 | 60.4° | 180.0° |
| C37 | C38 | C39 | H36 | 179.6° | 60.0° |
| O28 | C27 | O36 | N26 | 178.9° | 179.7° |
| O28 | C27 | N26 | C25 | 178.2° | 179.7° |
| O28 | C27 | N26 | H37 | 1.8° | 0.2° |
| C27 | O28 | C29 | H38 | 13.3° | 60.0° |
| C27 | O28 | C29 | H39 | 107.5° | 59.9° |
| O36 | C27 | N26 | C25 | 0.7° | 0.0° |
| O36 | C27 | N26 | H37 | 179.3° | 179.9° |
| C27 | N26 | C25 | H37 | 180.0° | 179.9° |
| C27 | N26 | C25 | C37 | 163.9° | 85.0° |
| C27 | N26 | C25 | C24 | 77.4° | 155.0° |
| C27 | N26 | C25 | H27 | 42.7° | 34.9° |
| C33 | C32 | C31 | H41 | 180.0° | 179.9° |
| C33 | C32 | C31 | H40 | 179.7° | 179.8° |
| C32 | C33 | C34 | H43 | 180.0° | 180.0° |
| N26 | C25 | C37 | C24 | 118.4° | 120.0° |
| N26 | C25 | C37 | H27 | 121.7° | 120.0° |
| N26 | C25 | C24 | H27 | 120.6° | 120.1° |
| N26 | C25 | C24 | N23 | 142.5° | 180.0° |
| N26 | C25 | C24 | O41 | 37.3° | 0.1° |
| N26 | C25 | C37 | H28 | 171.9° | 55.0° |
| N26 | C25 | C37 | H29 | 52.4° | 175.0° |
| C31 | C32 | C33 | H42 | 180.0° | 179.9° |
| C37 | C25 | C24 | H27 | 119.9° | 120.0° |
| C37 | C25 | C24 | N23 | 98.0° | 60.1° |
| C37 | C25 | C24 | O41 | 82.3° | 120.0° |
| C25 | C37 | H28 | H29 | 119.3° | 120.0° |
| C25 | C37 | C38 | H30 | 33.1° | 55.0° |
| C37 | C25 | N26 | H37 | 16.1° | 95.0° |
| C25 | C24 | N23 | O41 | 179.8° | 179.9° |
| C25 | C24 | N23 | C22 | 179.9° | 180.0° |
| C25 | C24 | N23 | H26 | 0.1° | 0.1° |
| C24 | C25 | C37 | H28 | 53.5° | 65.0° |
| C24 | C25 | C37 | H29 | 66.1° | 55.0° |
| C24 | C25 | N26 | H37 | 102.6° | 24.9° |
| C24 | N23 | C22 | H26 | 180.0° | 180.0° |
| C24 | N23 | C22 | C42 | 136.7° | 85.1° |
| C24 | N23 | C22 | C21 | 100.5° | 155.0° |
| C24 | N23 | C22 | H2 | 17.8° | 35.0° |
| N23 | C24 | C25 | H27 | 21.9° | 59.9° |
| O41 | C24 | N23 | C22 | 0.1° | 0.1° |
| O41 | C24 | N23 | H26 | 179.8° | 180.0° |
| O41 | C24 | C25 | H27 | 157.8° | 120.0° |
| N23 | C22 | C42 | C21 | 121.5° | 119.9° |
| N23 | C22 | C42 | H2 | 119.3° | 120.0° |
| N23 | C22 | C21 | H2 | 118.8° | 120.0° |
| N23 | C22 | C42 | C43 | 136.3° | 65.0° |
| N23 | C22 | C21 | O46 | 32.0° | 0.0° |
| N23 | C22 | C21 | N20 | 147.2° | 180.0° |
| N23 | C22 | C42 | H17 | 16.2° | 55.0° |
| N23 | C22 | C42 | H18 | 103.5° | 174.9° |
| C42 | C22 | C21 | H2 | 119.2° | 120.0° |
| C22 | C42 | C43 | H17 | 120.2° | 120.0° |
| C22 | C42 | C43 | H18 | 120.1° | 120.0° |
| C42 | C22 | C21 | O46 | 90.0° | 120.0° |
| C22 | C42 | C43 | C44 | 67.1° | 175.0° |
| C42 | C22 | C21 | N20 | 90.8° | 60.0° |
| C22 | C42 | C43 | C45 | 171.9° | 65.0° |
| C22 | C42 | H17 | H18 | 119.5° | 120.0° |
| C22 | C42 | C43 | H19 | 53.2° | 55.0° |
| C42 | C22 | N23 | H26 | 43.3° | 95.0° |
| C21 | C22 | C42 | C43 | 102.2° | 175.0° |
| C22 | C21 | O46 | N20 | 179.1° | 180.0° |
| C22 | C21 | N20 | C11 | 174.0° | 180.0° |
| C22 | C21 | N20 | H16 | 6.0° | 0.0° |
| C21 | C22 | C42 | H17 | 137.7° | 65.0° |
| C21 | C22 | C42 | H18 | 18.0° | 55.0° |
| C21 | C22 | N23 | H26 | 79.5° | 25.0° |
| C42 | C43 | C44 | C45 | 119.9° | 119.9° |
| C42 | C43 | C44 | H19 | 120.3° | 120.0° |
| C42 | C43 | C45 | H19 | 118.7° | 120.0° |
| C43 | C42 | C22 | H2 | 17.0° | 55.0° |
| C43 | C42 | H17 | H18 | 119.5° | 120.0° |
| C42 | C43 | C45 | H20 | 180.0° | 60.0° |
| C42 | C43 | C45 | H21 | 60.0° | 60.0° |
| C42 | C43 | C45 | H22 | 60.0° | 180.0° |
| C42 | C43 | C44 | H23 | 180.0° | 60.0° |
| C42 | C43 | C44 | H24 | 60.0° | 180.0° |
| C42 | C43 | C44 | H25 | 60.0° | 60.1° |
| O46 | C21 | N20 | C11 | 5.2° | 0.0° |
| O46 | C21 | C22 | H2 | 150.8° | 120.0° |
| O46 | C21 | N20 | H16 | 174.8° | 180.0° |
| C44 | C43 | C45 | H19 | 119.8° | 120.1° |
| C44 | C43 | C42 | H17 | 53.1° | 55.0° |
| C44 | C43 | C42 | H18 | 172.8° | 64.9° |
| C44 | C43 | C45 | H20 | 58.5° | 59.9° |
| C44 | C43 | C45 | H21 | 61.5° | 180.0° |
| C44 | C43 | C45 | H22 | 178.5° | 60.0° |
| C43 | C44 | H23 | H24 | 120.0° | 120.0° |
| C43 | C44 | H23 | H25 | 120.0° | 120.0° |
| C43 | C44 | H24 | H25 | 120.0° | 119.9° |
| C21 | N20 | C11 | H16 | 180.0° | 180.0° |
| C21 | N20 | C11 | C12 | 108.5° | 155.0° |
| C21 | N20 | C11 | C1 | 131.1° | 85.0° |
| N20 | C21 | C22 | H2 | 28.4° | 60.0° |
| C21 | N20 | C11 | H7 | 9.0° | 35.0° |
| C45 | C43 | C42 | H17 | 67.9° | 175.0° |
| C45 | C43 | C42 | H18 | 51.8° | 55.1° |
| C43 | C45 | H20 | H21 | 120.0° | 120.0° |
| C43 | C45 | H20 | H22 | 120.0° | 119.9° |
| C43 | C45 | H21 | H22 | 120.0° | 119.9° |
| C45 | C43 | C44 | H23 | 60.1° | 60.0° |
| C45 | C43 | C44 | H24 | 179.9° | 60.1° |
| C45 | C43 | C44 | H25 | 59.9° | 180.0° |
| C19 | C13 | C47 | C12 | 121.9° | 120.0° |
| C19 | C13 | C47 | H1 | 119.5° | 119.9° |
| C19 | C13 | C12 | H1 | 120.4° | 120.0° |
| C19 | C13 | C12 | C11 | 55.0° | 65.0° |
| C19 | C13 | C12 | H8 | 175.8° | 55.0° |
| C19 | C13 | C12 | H9 | 65.7° | 175.0° |
| C19 | C13 | C47 | H10 | 180.0° | 60.1° |
| C19 | C13 | C47 | H11 | 60.0° | 60.0° |
| C19 | C13 | C47 | H12 | 60.0° | 180.0° |
| C13 | C19 | H13 | H14 | 120.0° | 120.0° |
| C13 | C19 | H13 | H15 | 120.0° | 120.0° |
| C13 | C19 | H14 | H15 | 120.0° | 120.0° |
| N20 | C11 | C12 | C13 | 122.2° | 65.0° |
| N20 | C11 | C12 | C1 | 119.6° | 120.0° |
| N20 | C11 | C12 | H7 | 118.3° | 120.0° |
| N20 | C11 | C1 | H7 | 122.7° | 120.0° |
| N20 | C11 | C1 | C9 | 77.3° | 60.0° |
| N20 | C11 | C1 | O10 | 44.8° | 60.0° |
| N20 | C11 | C1 | H5 | 163.9° | 179.9° |
| N20 | C11 | C12 | H8 | 117.1° | 175.0° |
| N20 | C11 | C12 | H9 | 1.5° | 55.0° |
| C47 | C13 | C12 | H1 | 118.5° | 120.0° |
| C47 | C13 | C12 | C11 | 176.1° | 175.0° |
| C47 | C13 | C12 | H8 | 63.1° | 65.0° |
| C47 | C13 | C12 | H9 | 55.4° | 55.0° |
| C13 | C47 | H10 | H11 | 120.0° | 120.0° |
| C13 | C47 | H10 | H12 | 120.0° | 119.9° |
| C13 | C47 | H11 | H12 | 120.0° | 120.0° |
| C47 | C13 | C19 | H13 | 180.0° | 60.0° |
| C47 | C13 | C19 | H14 | 60.0° | 179.9° |
| C47 | C13 | C19 | H15 | 60.0° | 60.0° |
| C13 | C12 | C11 | H8 | 120.7° | 120.0° |
| C13 | C12 | C11 | H9 | 120.7° | 120.0° |
| C13 | C12 | C11 | C1 | 118.2° | 175.0° |
| C13 | C12 | C11 | H7 | 3.9° | 55.0° |
| C13 | C12 | H8 | H9 | 117.8° | 120.0° |
| C12 | C13 | C47 | H10 | 58.1° | 60.0° |
| C12 | C13 | C47 | H11 | 178.1° | 180.0° |
| C12 | C13 | C47 | H12 | 61.9° | 60.0° |
| C12 | C13 | C19 | H13 | 59.9° | 60.0° |
| C12 | C13 | C19 | H14 | 60.1° | 60.0° |
| C12 | C13 | C19 | H15 | 179.9° | 180.0° |
| C12 | C11 | C1 | H7 | 122.1° | 120.0° |
| C12 | C11 | C1 | C9 | 167.5° | 180.0° |
| C12 | C11 | C1 | O10 | 70.5° | 60.0° |
| C11 | C12 | C13 | H1 | 65.3° | 55.0° |
| C12 | C11 | C1 | H5 | 48.7° | 60.0° |
| C11 | C12 | H8 | H9 | 117.7° | 120.0° |
| C12 | C11 | N20 | H16 | 71.5° | 25.0° |
| C11 | C1 | C9 | O10 | 120.4° | 120.0° |
| C11 | C1 | C9 | H5 | 118.8° | 120.0° |
| C11 | C1 | O10 | H5 | 118.4° | 120.0° |
| C11 | C1 | C9 | O1 | 166.9° | 175.0° |
| C11 | C1 | C9 | H3 | 72.5° | 65.0° |
| C11 | C1 | C9 | H4 | 46.3° | 55.0° |
| C11 | C1 | O10 | H6 | 180.0° | 60.0° |
| C1 | C11 | C12 | H8 | 2.5° | 55.0° |
| C1 | C11 | C12 | H9 | 121.0° | 65.0° |
| C1 | C11 | N20 | H16 | 48.9° | 95.0° |
| C9 | C1 | O10 | H5 | 120.0° | 120.0° |
| C1 | C9 | O1 | H3 | 120.6° | 120.0° |
| C1 | C9 | O1 | H4 | 120.6° | 120.0° |
| C1 | C9 | H3 | H4 | 118.1° | 120.1° |
| C9 | C1 | O10 | H6 | 58.3° | 60.0° |
| C9 | C1 | C11 | H7 | 45.4° | 60.0° |
| C1 | C9 | O1 | H45 | 180.0° | 180.0° |
| O10 | C1 | C9 | O1 | 72.7° | 65.1° |
| O10 | C1 | C9 | H3 | 47.9° | 54.9° |
| O10 | C1 | C9 | H4 | 166.6° | 175.0° |
| O10 | C1 | C11 | H7 | 167.4° | 180.0° |
| O1 | C9 | H3 | H4 | 118.1° | 119.9° |
| O1 | C9 | C1 | H5 | 48.1° | 55.0° |
| H1 | C13 | C12 | H8 | 55.4° | 175.0° |
| H1 | C13 | C12 | H9 | 174.0° | 65.0° |
| H1 | C13 | C47 | H10 | 60.5° | 180.0° |
| H1 | C13 | C47 | H11 | 59.5° | 59.9° |
| H1 | C13 | C47 | H12 | 179.5° | 60.1° |
| H1 | C13 | C19 | H13 | 60.5° | 180.0° |
| H1 | C13 | C19 | H14 | 179.5° | 60.0° |
| H1 | C13 | C19 | H15 | 59.5° | 59.9° |
| H2 | C22 | C42 | H17 | 103.1° | 175.0° |
| H2 | C22 | C42 | H18 | 137.2° | 65.0° |
| H2 | C22 | N23 | H26 | 162.2° | 145.0° |
| H3 | C9 | C1 | H5 | 168.7° | 175.0° |
| H3 | C9 | O1 | H45 | 59.4° | 59.9° |
| H4 | C9 | C1 | H5 | 72.6° | 65.0° |
| H4 | C9 | O1 | H45 | 59.4° | 60.0° |
| H5 | C1 | O10 | H6 | 61.7° | 180.0° |
| H5 | C1 | C11 | H7 | 73.4° | 60.0° |
| H7 | C11 | C12 | H8 | 124.6° | 65.0° |
| H7 | C11 | C12 | H9 | 116.8° | 175.0° |
| H7 | C11 | N20 | H16 | 171.0° | 145.0° |
| H10 | C47 | H11 | H12 | 120.0° | 120.0° |
| H13 | C19 | H14 | H15 | 120.0° | 120.0° |
| H17 | C42 | C43 | H19 | 173.3° | 65.0° |
| H18 | C42 | C43 | H19 | 67.0° | 175.0° |
| H19 | C43 | C45 | H20 | 61.3° | 180.0° |
| H19 | C43 | C45 | H21 | 178.7° | 59.9° |
| H19 | C43 | C45 | H22 | 58.7° | 60.0° |
| H19 | C43 | C44 | H23 | 59.7° | 180.0° |
| H19 | C43 | C44 | H24 | 60.3° | 60.0° |
| H19 | C43 | C44 | H25 | 179.7° | 59.9° |
| H20 | C45 | H21 | H22 | 120.0° | 120.1° |
| H23 | C44 | H24 | H25 | 120.0° | 120.0° |
| H27 | C25 | C37 | H28 | 66.4° | 175.0° |
| H27 | C25 | C37 | H29 | 174.1° | 65.0° |
| H27 | C25 | N26 | H37 | 137.3° | 145.0° |
| H28 | C37 | C38 | H30 | 153.4° | 65.0° |
| H29 | C37 | C38 | H30 | 87.1° | 175.0° |
| H30 | C38 | C40 | H31 | 60.2° | 60.1° |
| H30 | C38 | C40 | H32 | 59.8° | 60.0° |
| H30 | C38 | C40 | H33 | 179.8° | 180.0° |
| H30 | C38 | C39 | H34 | 60.2° | 180.0° |
| H30 | C38 | C39 | H35 | 179.8° | 60.0° |
| H30 | C38 | C39 | H36 | 59.8° | 60.0° |
| H31 | C40 | H32 | H33 | 120.0° | 120.0° |
| H34 | C39 | H35 | H36 | 120.0° | 120.0° |
| H40 | C31 | C32 | H41 | 0.2° | 0.1° |
| H41 | C32 | C33 | H42 | 0.1° | 0.0° |
| H42 | C33 | C34 | H43 | 0.0° | 0.1° |
| H43 | C34 | C35 | H44 | 0.3° | 0.0° |
