A1A6I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.51Å | 1.56Å | |
| C21 | N22 | sing | 1.47Å | 1.45Å | |
| C18 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| N22 | C17 | sing | 1.39Å | 1.49Å | |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | N16 | doub | 1.33Å | 1.34Å | Aromatic |
| C24 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| N16 | C15 | sing | 1.32Å | 1.33Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.55Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C37 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C35 | C38 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.47Å | |
| C38 | O39 | sing | 1.43Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | O10 | sing | 1.43Å | 1.43Å | |
| C34 | C33 | sing | 1.53Å | 1.48Å | |
| O39 | C32 | sing | 1.43Å | 1.46Å | |
| O10 | C08 | sing | 1.43Å | 1.42Å | |
| C08 | C07 | sing | 1.55Å | 1.33Å | |
| C08 | C09 | sing | 1.54Å | 1.69Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | sing | 1.51Å | 1.52Å | |
| C07 | C06 | sing | 1.55Å | 1.61Å | |
| C09 | N05 | sing | 1.47Å | 1.34Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | N05 | sing | 1.48Å | 1.59Å | |
| N05 | C04 | sing | 1.47Å | 1.47Å | |
| C04 | C25 | sing | 1.51Å | 1.54Å | |
| C04 | C02 | sing | 1.51Å | 1.52Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | F28 | sing | 1.35Å | 1.37Å | |
| C02 | O03 | doub | 1.21Å | 1.26Å | |
| C02 | O01 | sing | 1.34Å | 1.26Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C09 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| N22 | H40 | sing | 0.97Å | 1.00Å | |
| O01 | H41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C21 | 114.5° | 109.0° |
| C20 | C19 | C18 | 114.6° | 110.4° |
| C20 | C19 | H5 | 108.2° | 109.3° |
| C20 | C19 | H6 | 108.2° | 109.1° |
| C19 | C20 | H7 | 108.2° | 109.6° |
| C19 | C20 | H8 | 108.2° | 109.6° |
| C20 | C21 | N22 | 112.6° | 108.0° |
| C21 | C20 | H7 | 108.2° | 109.7° |
| C21 | C20 | H8 | 108.2° | 109.2° |
| C20 | C21 | H9 | 108.7° | 109.8° |
| C20 | C21 | H10 | 108.7° | 109.8° |
| C19 | C18 | C23 | 120.2° | 119.1° |
| C19 | C18 | C17 | 120.6° | 121.8° |
| C18 | C19 | H5 | 108.2° | 109.3° |
| C18 | C19 | H6 | 108.2° | 109.3° |
| C21 | N22 | C17 | 111.1° | 119.0° |
| N22 | C21 | H9 | 108.7° | 109.5° |
| N22 | C21 | H10 | 108.7° | 109.9° |
| C21 | N22 | H40 | 109.1° | 120.6° |
| C23 | C18 | C17 | 119.2° | 119.1° |
| C18 | C23 | C24 | 118.4° | 118.6° |
| C18 | C23 | H11 | 120.8° | 120.7° |
| C18 | C17 | N22 | 119.9° | 120.6° |
| C18 | C17 | N16 | 120.3° | 120.5° |
| N22 | C17 | N16 | 119.8° | 119.0° |
| C17 | N22 | H40 | 109.1° | 120.4° |
| C23 | C24 | C15 | 119.2° | 119.3° |
| C24 | C23 | H11 | 120.8° | 120.7° |
| C23 | C24 | H12 | 120.4° | 120.4° |
| C17 | N16 | C15 | 122.5° | 121.8° |
| C24 | C15 | N16 | 120.3° | 120.7° |
| C24 | C15 | C14 | 120.1° | 119.6° |
| C15 | C24 | H12 | 120.4° | 120.3° |
| N16 | C15 | C14 | 119.6° | 119.6° |
| C15 | C14 | C13 | 110.9° | 109.4° |
| C15 | C14 | H3 | 109.1° | 109.5° |
| C15 | C14 | H4 | 109.1° | 109.5° |
| C36 | C37 | C35 | 60.1° | 60.0° |
| C37 | C36 | C35 | 60.1° | 59.9° |
| C37 | C36 | H33 | 120.0° | 117.6° |
| C37 | C36 | H34 | 120.0° | 117.5° |
| C36 | C37 | H35 | 120.0° | 117.5° |
| C36 | C37 | H36 | 120.0° | 117.5° |
| C37 | C35 | C36 | 59.7° | 60.1° |
| C37 | C35 | C38 | 118.0° | 117.9° |
| C37 | C35 | C34 | 121.7° | 117.8° |
| C35 | C37 | H35 | 120.0° | 117.5° |
| C35 | C37 | H36 | 120.0° | 117.5° |
| C36 | C35 | C38 | 115.6° | 117.8° |
| C36 | C35 | C34 | 117.6° | 117.8° |
| C35 | C36 | H33 | 120.0° | 117.6° |
| C35 | C36 | H34 | 120.0° | 117.4° |
| C14 | C13 | C12 | 111.7° | 109.4° |
| C14 | C13 | H1 | 108.9° | 109.5° |
| C14 | C13 | H2 | 108.9° | 109.5° |
| C13 | C14 | H3 | 109.1° | 109.5° |
| C13 | C14 | H4 | 109.1° | 109.5° |
| C13 | C12 | C11 | 112.1° | 109.4° |
| C12 | C13 | H1 | 108.9° | 109.5° |
| C12 | C13 | H2 | 108.9° | 109.5° |
| C13 | C12 | H24 | 108.8° | 109.5° |
| C13 | C12 | H25 | 108.8° | 109.5° |
| C38 | C35 | C34 | 113.6° | 114.7° |
| C35 | C38 | O39 | 112.6° | 108.7° |
| C35 | C38 | H37 | 108.7° | 109.5° |
| C35 | C38 | H38 | 108.7° | 109.6° |
| C35 | C34 | C33 | 114.1° | 108.3° |
| C35 | C34 | H31 | 108.3° | 109.7° |
| C35 | C34 | H32 | 108.3° | 109.7° |
| C38 | O39 | C32 | 110.9° | 114.1° |
| O39 | C38 | H37 | 108.7° | 109.6° |
| O39 | C38 | H38 | 108.7° | 109.7° |
| C12 | C11 | O10 | 108.3° | 109.4° |
| C12 | C11 | H22 | 109.8° | 109.4° |
| C12 | C11 | H23 | 109.8° | 109.5° |
| C11 | C12 | H24 | 108.8° | 109.5° |
| C11 | C12 | H25 | 108.8° | 109.5° |
| C11 | O10 | C08 | 113.0° | 114.0° |
| O10 | C11 | H22 | 109.7° | 109.5° |
| O10 | C11 | H23 | 109.8° | 109.5° |
| C34 | C33 | C32 | 111.9° | 109.1° |
| C34 | C33 | H29 | 108.9° | 109.5° |
| C34 | C33 | H30 | 108.9° | 109.6° |
| C33 | C34 | H31 | 108.3° | 109.7° |
| C33 | C34 | H32 | 108.3° | 109.7° |
| O39 | C32 | C33 | 111.1° | 109.8° |
| O39 | C32 | C31 | 108.8° | 109.4° |
| O39 | C32 | H28 | 109.4° | 109.4° |
| O10 | C08 | C07 | 109.9° | 110.7° |
| O10 | C08 | C09 | 109.8° | 110.7° |
| O10 | C08 | H19 | 110.3° | 110.7° |
| C07 | C08 | C09 | 108.0° | 103.0° |
| C08 | C07 | C06 | 106.1° | 101.7° |
| C08 | C07 | H17 | 110.3° | 111.0° |
| C08 | C07 | H18 | 110.3° | 111.0° |
| C07 | C08 | H19 | 111.8° | 110.7° |
| C08 | C09 | N05 | 108.1° | 107.2° |
| C09 | C08 | H19 | 106.9° | 110.7° |
| C08 | C09 | H20 | 109.8° | 109.9° |
| C08 | C09 | H21 | 109.8° | 109.9° |
| C33 | C32 | C31 | 110.4° | 109.4° |
| C33 | C32 | H28 | 108.5° | 109.4° |
| C32 | C33 | H29 | 108.9° | 109.5° |
| C32 | C33 | H30 | 108.9° | 109.5° |
| C32 | C31 | C30 | 120.4° | 120.0° |
| C32 | C31 | C25 | 119.5° | 120.0° |
| C31 | C32 | H28 | 108.6° | 109.5° |
| C07 | C06 | N05 | 104.1° | 104.8° |
| C07 | C06 | H15 | 110.8° | 110.4° |
| C07 | C06 | H16 | 110.8° | 110.5° |
| C06 | C07 | H17 | 110.3° | 111.0° |
| C06 | C07 | H18 | 110.3° | 111.0° |
| C09 | N05 | C06 | 105.1° | 108.5° |
| C09 | N05 | C04 | 109.3° | 111.0° |
| N05 | C09 | H20 | 109.8° | 109.8° |
| N05 | C09 | H21 | 109.8° | 109.9° |
| C30 | C31 | C25 | 120.0° | 120.0° |
| C31 | C30 | C29 | 119.9° | 120.0° |
| C31 | C30 | H27 | 120.0° | 120.0° |
| C31 | C25 | C04 | 119.8° | 120.0° |
| C31 | C25 | C26 | 120.0° | 120.0° |
| C30 | C29 | C27 | 120.1° | 120.0° |
| C30 | C29 | H26 | 120.0° | 120.1° |
| C29 | C30 | H27 | 120.1° | 119.9° |
| C06 | N05 | C04 | 110.9° | 111.0° |
| N05 | C06 | H15 | 110.8° | 110.3° |
| N05 | C06 | H16 | 110.8° | 110.3° |
| N05 | C04 | C25 | 108.5° | 109.4° |
| N05 | C04 | C02 | 111.0° | 109.5° |
| N05 | C04 | H14 | 109.4° | 109.5° |
| C25 | C04 | C02 | 110.4° | 109.4° |
| C04 | C25 | C26 | 120.3° | 120.0° |
| C25 | C04 | H14 | 108.6° | 109.5° |
| C04 | C02 | O03 | 119.4° | 120.0° |
| C04 | C02 | O01 | 120.7° | 120.0° |
| C02 | C04 | H14 | 108.8° | 109.5° |
| C25 | C26 | C27 | 120.0° | 120.0° |
| C25 | C26 | H13 | 120.0° | 120.0° |
| C29 | C27 | C26 | 120.1° | 119.9° |
| C29 | C27 | F28 | 119.9° | 120.0° |
| C27 | C29 | H26 | 120.0° | 120.0° |
| C26 | C27 | F28 | 120.0° | 120.0° |
| C27 | C26 | H13 | 120.0° | 120.0° |
| O03 | C02 | O01 | 119.9° | 120.0° |
| C02 | O01 | H41 | 109.5° | 117.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C14 | H4 | 109.4° | 109.5° |
| H5 | C19 | H6 | 109.5° | 109.3° |
| H7 | C20 | H8 | 109.5° | 109.7° |
| H9 | C21 | H10 | 109.4° | 109.9° |
| H15 | C06 | H16 | 109.5° | 110.3° |
| H17 | C07 | H18 | 109.5° | 110.9° |
| H20 | C09 | H21 | 109.5° | 110.1° |
| H22 | C11 | H23 | 109.5° | 109.5° |
| H24 | C12 | H25 | 109.5° | 109.5° |
| H29 | C33 | H30 | 109.5° | 109.5° |
| H31 | C34 | H32 | 109.5° | 109.7° |
| H33 | C36 | H34 | 109.5° | 115.5° |
| H35 | C37 | H36 | 109.5° | 115.5° |
| H37 | C38 | H38 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C21 | H7 | 120.8° | 120.0° |
| C19 | C20 | C21 | H8 | 120.7° | 119.7° |
| C20 | C19 | C18 | H5 | 120.8° | 120.3° |
| C20 | C19 | C18 | H6 | 120.7° | 120.1° |
| C19 | C20 | C21 | N22 | 47.5° | 62.9° |
| C20 | C19 | C18 | C23 | 166.8° | 159.7° |
| C20 | C19 | C18 | C17 | 12.7° | 20.0° |
| C20 | C19 | H5 | H6 | 117.7° | 119.4° |
| C19 | C20 | H7 | H8 | 117.7° | 120.3° |
| C19 | C20 | C21 | H9 | 168.0° | 56.5° |
| C19 | C20 | C21 | H10 | 73.0° | 177.3° |
| C21 | C20 | C19 | C18 | 10.6° | 50.5° |
| C20 | C21 | N22 | H9 | 120.5° | 119.5° |
| C20 | C21 | N22 | H10 | 120.5° | 119.7° |
| C20 | C21 | N22 | C17 | 60.5° | 45.0° |
| C21 | C20 | C19 | H5 | 110.2° | 170.8° |
| C21 | C20 | C19 | H6 | 131.3° | 69.6° |
| C21 | C20 | H7 | H8 | 117.7° | 120.0° |
| C20 | C21 | H9 | H10 | 118.6° | 120.8° |
| C20 | C21 | N22 | H40 | 59.7° | 135.1° |
| C19 | C18 | C23 | C17 | 179.6° | 179.7° |
| C19 | C18 | C17 | N22 | 0.2° | 0.5° |
| C19 | C18 | C23 | C24 | 179.7° | 179.8° |
| C19 | C18 | C17 | N16 | 179.7° | 179.8° |
| C18 | C19 | H5 | H6 | 117.7° | 119.6° |
| C18 | C19 | C20 | H7 | 110.2° | 170.7° |
| C18 | C19 | C20 | H8 | 131.3° | 68.9° |
| C19 | C18 | C23 | H11 | 0.3° | 0.1° |
| C21 | N22 | C17 | C18 | 37.0° | 13.9° |
| C21 | N22 | C17 | H40 | 120.2° | 180.0° |
| C21 | N22 | C17 | N16 | 142.9° | 166.3° |
| N22 | C21 | C20 | H7 | 73.2° | 177.1° |
| N22 | C21 | C20 | H8 | 168.2° | 56.8° |
| N22 | C21 | H9 | H10 | 118.6° | 120.8° |
| C23 | C18 | C17 | N22 | 179.8° | 179.3° |
| C18 | C23 | C24 | H11 | 180.0° | 179.9° |
| C23 | C18 | C17 | N16 | 0.1° | 0.5° |
| C18 | C23 | C24 | C15 | 0.0° | 0.0° |
| C23 | C18 | C19 | H5 | 46.1° | 39.4° |
| C23 | C18 | C19 | H6 | 72.4° | 80.2° |
| C18 | C23 | C24 | H12 | 180.0° | 180.0° |
| C18 | C17 | N22 | N16 | 179.9° | 179.8° |
| C17 | C18 | C23 | C24 | 0.1° | 0.4° |
| C18 | C17 | N16 | C15 | 0.0° | 0.2° |
| C17 | C18 | C19 | H5 | 133.5° | 140.4° |
| C17 | C18 | C19 | H6 | 108.0° | 100.0° |
| C17 | C18 | C23 | H11 | 179.9° | 179.7° |
| C18 | C17 | N22 | H40 | 83.2° | 166.1° |
| N22 | C17 | N16 | C15 | 179.9° | 179.6° |
| C17 | N22 | C21 | H9 | 179.0° | 74.6° |
| C17 | N22 | C21 | H10 | 60.0° | 164.7° |
| C23 | C24 | C15 | H12 | 180.0° | 179.9° |
| C23 | C24 | C15 | N16 | 0.1° | 0.3° |
| C23 | C24 | C15 | C14 | 179.8° | 180.0° |
| C17 | N16 | C15 | C24 | 0.2° | 0.2° |
| C17 | N16 | C15 | C14 | 179.9° | 179.9° |
| N16 | C17 | N22 | H40 | 96.9° | 13.7° |
| C24 | C15 | N16 | C14 | 179.7° | 179.7° |
| C24 | C15 | C14 | C13 | 50.4° | 125.0° |
| C24 | C15 | C14 | H3 | 69.8° | 5.0° |
| C24 | C15 | C14 | H4 | 170.7° | 115.0° |
| C15 | C24 | C23 | H11 | 180.0° | 179.9° |
| N16 | C15 | C14 | C13 | 129.3° | 55.3° |
| N16 | C15 | C14 | H3 | 110.5° | 175.3° |
| N16 | C15 | C14 | H4 | 9.0° | 64.7° |
| N16 | C15 | C24 | H12 | 179.9° | 179.6° |
| C15 | C14 | C13 | H3 | 120.2° | 120.0° |
| C15 | C14 | C13 | H4 | 120.2° | 120.0° |
| C15 | C14 | C13 | C12 | 104.0° | 180.0° |
| C15 | C14 | C13 | H1 | 16.3° | 60.0° |
| C15 | C14 | C13 | H2 | 135.6° | 60.0° |
| C15 | C14 | H3 | H4 | 119.3° | 120.0° |
| C14 | C15 | C24 | H12 | 0.2° | 0.1° |
| C36 | C37 | C35 | H35 | 109.5° | 107.5° |
| C36 | C37 | C35 | H36 | 109.5° | 107.5° |
| C37 | C36 | C35 | H33 | 109.5° | 107.5° |
| C37 | C36 | C35 | H34 | 109.5° | 107.5° |
| C36 | C37 | C35 | C38 | 104.9° | 107.7° |
| C36 | C37 | C35 | C34 | 105.7° | 107.8° |
| C37 | C36 | H33 | H34 | 144.6° | 145.8° |
| C36 | C37 | H35 | H36 | 144.7° | 145.7° |
| C37 | C35 | C38 | C34 | 151.8° | 145.6° |
| C37 | C35 | C38 | O39 | 160.4° | 163.3° |
| C37 | C35 | C34 | C33 | 164.7° | 163.6° |
| C37 | C35 | C34 | H31 | 74.7° | 43.9° |
| C37 | C35 | C34 | H32 | 44.0° | 76.7° |
| C35 | C37 | H35 | H36 | 144.7° | 145.7° |
| C37 | C35 | C38 | H37 | 40.0° | 43.6° |
| C37 | C35 | C38 | H38 | 79.1° | 76.9° |
| C36 | C35 | C38 | C34 | 140.4° | 145.4° |
| C36 | C35 | C38 | O39 | 92.7° | 94.3° |
| C36 | C35 | C34 | C33 | 94.9° | 94.6° |
| C36 | C35 | C34 | H31 | 144.4° | 25.1° |
| C36 | C35 | C34 | H32 | 25.8° | 145.7° |
| C35 | C36 | H33 | H34 | 144.7° | 145.6° |
| C36 | C35 | C38 | H37 | 27.7° | 25.5° |
| C36 | C35 | C38 | H38 | 146.9° | 145.9° |
| C14 | C13 | C12 | H1 | 120.3° | 120.0° |
| C14 | C13 | C12 | H2 | 120.3° | 120.0° |
| C14 | C13 | C12 | C11 | 166.0° | 180.0° |
| C14 | C13 | H1 | H2 | 118.9° | 120.0° |
| C13 | C14 | H3 | H4 | 119.4° | 120.0° |
| C14 | C13 | C12 | H24 | 73.6° | 60.0° |
| C14 | C13 | C12 | H25 | 45.6° | 60.0° |
| C13 | C12 | C11 | H24 | 120.4° | 120.0° |
| C13 | C12 | C11 | H25 | 120.4° | 120.0° |
| C13 | C12 | C11 | O10 | 103.4° | 180.0° |
| C12 | C13 | H1 | H2 | 119.0° | 120.0° |
| C12 | C13 | C14 | H3 | 135.8° | 60.0° |
| C12 | C13 | C14 | H4 | 16.2° | 60.0° |
| C13 | C12 | C11 | H22 | 136.8° | 60.0° |
| C13 | C12 | C11 | H23 | 16.5° | 60.0° |
| C13 | C12 | H24 | H25 | 118.8° | 120.0° |
| C35 | C38 | O39 | H37 | 120.5° | 119.7° |
| C35 | C38 | O39 | H38 | 120.4° | 119.8° |
| C38 | C35 | C34 | C33 | 44.7° | 50.8° |
| C35 | C38 | O39 | C32 | 55.0° | 57.5° |
| C38 | C35 | C34 | H31 | 76.0° | 170.5° |
| C38 | C35 | C34 | H32 | 165.4° | 68.9° |
| C38 | C35 | C36 | H33 | 141.7° | 0.3° |
| C38 | C35 | C36 | H34 | 0.7° | 144.6° |
| C38 | C35 | C37 | H35 | 4.6° | 144.8° |
| C38 | C35 | C37 | H36 | 145.6° | 0.3° |
| C35 | C38 | H37 | H38 | 118.6° | 120.3° |
| C34 | C35 | C38 | O39 | 47.7° | 51.1° |
| C35 | C34 | C33 | H31 | 120.7° | 119.7° |
| C35 | C34 | C33 | H32 | 120.7° | 119.7° |
| C35 | C34 | C33 | C32 | 48.3° | 53.6° |
| C35 | C34 | C33 | H29 | 168.7° | 66.2° |
| C35 | C34 | C33 | H30 | 72.1° | 173.6° |
| C35 | C34 | H31 | H32 | 117.9° | 120.5° |
| C34 | C35 | C36 | H33 | 2.9° | 144.7° |
| C34 | C35 | C36 | H34 | 138.1° | 0.3° |
| C34 | C35 | C37 | H35 | 144.8° | 0.3° |
| C34 | C35 | C37 | H36 | 3.9° | 144.8° |
| C34 | C35 | C38 | H37 | 168.2° | 170.9° |
| C34 | C35 | C38 | H38 | 72.7° | 68.7° |
| C38 | O39 | C32 | C33 | 58.8° | 64.3° |
| C38 | O39 | C32 | C31 | 179.5° | 175.6° |
| C38 | O39 | C32 | H28 | 61.0° | 55.7° |
| O39 | C38 | H37 | H38 | 118.6° | 120.5° |
| C12 | C11 | O10 | H22 | 119.8° | 120.0° |
| C12 | C11 | O10 | H23 | 119.8° | 120.0° |
| C12 | C11 | O10 | C08 | 141.4° | 180.0° |
| C11 | C12 | C13 | H1 | 45.7° | 60.0° |
| C11 | C12 | C13 | H2 | 73.7° | 60.0° |
| C12 | C11 | H22 | H23 | 120.5° | 120.0° |
| C11 | C12 | H24 | H25 | 118.8° | 120.0° |
| C11 | O10 | C08 | C07 | 106.7° | 91.5° |
| C11 | O10 | C08 | C09 | 134.7° | 154.9° |
| C11 | O10 | C08 | H19 | 17.1° | 31.8° |
| O10 | C11 | H22 | H23 | 120.5° | 120.0° |
| O10 | C11 | C12 | H24 | 17.0° | 60.0° |
| O10 | C11 | C12 | H25 | 136.3° | 60.0° |
| C34 | C33 | C32 | O39 | 55.4° | 60.8° |
| C34 | C33 | C32 | H29 | 120.4° | 119.9° |
| C34 | C33 | C32 | H30 | 120.4° | 120.0° |
| C34 | C33 | C32 | C31 | 176.3° | 179.2° |
| C34 | C33 | C32 | H28 | 64.9° | 59.3° |
| C34 | C33 | H29 | H30 | 118.9° | 120.2° |
| C33 | C34 | H31 | H32 | 117.9° | 120.6° |
| O39 | C32 | C33 | C31 | 120.8° | 120.1° |
| O39 | C32 | C33 | H28 | 120.4° | 120.0° |
| O39 | C32 | C31 | H28 | 119.0° | 119.9° |
| O39 | C32 | C31 | C30 | 90.4° | 25.8° |
| O39 | C32 | C31 | C25 | 89.4° | 154.8° |
| O39 | C32 | C33 | H29 | 175.8° | 59.1° |
| O39 | C32 | C33 | H30 | 64.9° | 179.2° |
| C32 | O39 | C38 | H37 | 175.4° | 177.2° |
| C32 | O39 | C38 | H38 | 65.5° | 62.2° |
| O10 | C08 | C07 | C09 | 119.7° | 118.4° |
| O10 | C08 | C07 | H19 | 122.9° | 123.2° |
| O10 | C08 | C09 | H19 | 119.7° | 123.2° |
| O10 | C08 | C07 | C06 | 133.9° | 154.1° |
| O10 | C08 | C09 | N05 | 115.1° | 140.7° |
| O10 | C08 | C07 | H17 | 14.4° | 87.9° |
| O10 | C08 | C07 | H18 | 106.6° | 35.9° |
| O10 | C08 | C09 | H20 | 125.1° | 100.0° |
| O10 | C08 | C09 | H21 | 4.7° | 21.3° |
| C08 | O10 | C11 | H22 | 21.6° | 60.0° |
| C08 | O10 | C11 | H23 | 98.7° | 60.0° |
| C07 | C08 | C09 | H19 | 120.5° | 118.4° |
| C08 | C07 | C06 | H17 | 119.5° | 118.1° |
| C08 | C07 | C06 | H18 | 119.5° | 118.2° |
| C07 | C08 | C09 | N05 | 4.7° | 22.3° |
| C08 | C07 | C06 | N05 | 26.5° | 37.1° |
| C08 | C07 | C06 | H15 | 145.7° | 155.9° |
| C08 | C07 | C06 | H16 | 92.6° | 81.8° |
| C08 | C07 | H17 | H18 | 121.5° | 123.9° |
| C07 | C08 | C09 | H20 | 115.0° | 141.6° |
| C07 | C08 | C09 | H21 | 124.5° | 97.1° |
| C09 | C08 | C07 | C06 | 14.1° | 35.7° |
| C08 | C09 | N05 | H20 | 119.8° | 119.4° |
| C08 | C09 | N05 | H21 | 119.8° | 119.4° |
| C08 | C09 | N05 | C06 | 21.2° | 1.0° |
| C08 | C09 | N05 | C04 | 140.2° | 123.2° |
| C09 | C08 | C07 | H17 | 105.3° | 153.8° |
| C09 | C08 | C07 | H18 | 133.6° | 82.4° |
| C08 | C09 | H20 | H21 | 120.7° | 121.1° |
| C33 | C32 | C31 | H28 | 118.8° | 119.8° |
| C33 | C32 | C31 | C30 | 31.8° | 94.5° |
| C33 | C32 | C31 | C25 | 148.4° | 84.9° |
| C32 | C33 | H29 | H30 | 118.9° | 120.1° |
| C32 | C33 | C34 | H31 | 72.4° | 173.3° |
| C32 | C33 | C34 | H32 | 169.0° | 66.1° |
| C32 | C31 | C30 | C25 | 179.8° | 179.5° |
| C32 | C31 | C30 | C29 | 179.8° | 180.0° |
| C32 | C31 | C25 | C04 | 0.3° | 0.2° |
| C32 | C31 | C25 | C26 | 179.8° | 180.0° |
| C32 | C31 | C30 | H27 | 0.2° | 0.3° |
| C31 | C32 | C33 | H29 | 63.4° | 61.0° |
| C31 | C32 | C33 | H30 | 55.9° | 59.2° |
| C07 | C06 | N05 | C09 | 29.4° | 24.1° |
| C07 | C06 | N05 | H15 | 119.2° | 118.9° |
| C07 | C06 | N05 | H16 | 119.2° | 119.0° |
| C07 | C06 | N05 | C04 | 147.3° | 146.3° |
| C07 | C06 | H15 | H16 | 122.5° | 122.4° |
| C06 | C07 | H17 | H18 | 121.6° | 123.8° |
| C06 | C07 | C08 | H19 | 103.2° | 82.7° |
| C09 | N05 | C06 | C04 | 117.9° | 122.2° |
| C09 | N05 | C04 | C25 | 58.3° | 176.6° |
| C09 | N05 | C04 | C02 | 179.9° | 56.6° |
| C09 | N05 | C04 | H14 | 60.0° | 63.4° |
| C09 | N05 | C06 | H15 | 148.6° | 143.0° |
| C09 | N05 | C06 | H16 | 89.8° | 94.9° |
| N05 | C09 | C08 | H19 | 125.2° | 96.1° |
| N05 | C09 | H20 | H21 | 120.6° | 121.1° |
| C31 | C30 | C29 | H27 | 180.0° | 179.7° |
| C30 | C31 | C25 | C04 | 179.5° | 179.7° |
| C30 | C31 | C25 | C26 | 0.0° | 0.5° |
| C31 | C30 | C29 | C27 | 0.0° | 0.3° |
| C31 | C30 | C29 | H26 | 180.0° | 179.7° |
| C30 | C31 | C32 | H28 | 150.6° | 145.6° |
| C25 | C31 | C30 | C29 | 0.1° | 0.5° |
| C31 | C25 | C04 | N05 | 117.5° | 76.4° |
| C31 | C25 | C04 | C26 | 179.5° | 179.8° |
| C31 | C25 | C04 | C02 | 120.6° | 163.6° |
| C31 | C25 | C26 | C27 | 0.1° | 0.2° |
| C31 | C25 | C26 | H13 | 179.9° | 179.7° |
| C31 | C25 | C04 | H14 | 1.4° | 43.6° |
| C25 | C31 | C30 | H27 | 179.9° | 179.8° |
| C25 | C31 | C32 | H28 | 29.6° | 34.9° |
| C30 | C29 | C27 | H26 | 180.0° | 180.0° |
| C30 | C29 | C27 | C26 | 0.1° | 0.0° |
| C30 | C29 | C27 | F28 | 180.0° | 179.9° |
| C06 | N05 | C04 | C25 | 173.7° | 55.8° |
| C06 | N05 | C04 | C02 | 64.8° | 64.2° |
| C06 | N05 | C04 | H14 | 55.4° | 175.8° |
| N05 | C06 | H15 | H16 | 122.5° | 122.2° |
| N05 | C06 | C07 | H17 | 92.9° | 155.2° |
| N05 | C06 | C07 | H18 | 146.0° | 81.1° |
| C06 | N05 | C09 | H20 | 98.6° | 118.4° |
| C06 | N05 | C09 | H21 | 140.9° | 120.4° |
| N05 | C04 | C25 | C02 | 121.9° | 120.0° |
| N05 | C04 | C25 | H14 | 118.9° | 120.0° |
| N05 | C04 | C02 | H14 | 120.5° | 120.1° |
| N05 | C04 | C25 | C26 | 62.0° | 103.4° |
| N05 | C04 | C02 | O03 | 152.4° | 16.1° |
| N05 | C04 | C02 | O01 | 27.4° | 163.8° |
| C04 | N05 | C06 | H15 | 93.5° | 94.8° |
| C04 | N05 | C06 | H16 | 28.2° | 27.3° |
| C04 | N05 | C09 | H20 | 20.4° | 3.8° |
| C04 | N05 | C09 | H21 | 100.0° | 117.4° |
| C25 | C04 | C02 | H14 | 119.1° | 120.0° |
| C04 | C25 | C26 | C27 | 179.6° | 180.0° |
| C25 | C04 | C02 | O03 | 87.2° | 103.8° |
| C25 | C04 | C02 | O01 | 93.1° | 76.2° |
| C04 | C25 | C26 | H13 | 0.4° | 0.1° |
| C02 | C04 | C25 | C26 | 59.8° | 16.6° |
| C04 | C02 | O03 | O01 | 179.8° | 180.0° |
| C04 | C02 | O01 | H41 | 179.7° | 180.0° |
| C25 | C26 | C27 | C29 | 0.1° | 0.0° |
| C25 | C26 | C27 | H13 | 180.0° | 180.0° |
| C25 | C26 | C27 | F28 | 180.0° | 179.9° |
| C26 | C25 | C04 | H14 | 179.1° | 136.6° |
| C29 | C27 | C26 | F28 | 179.9° | 179.9° |
| C29 | C27 | C26 | H13 | 179.9° | 180.0° |
| C27 | C29 | C30 | H27 | 180.0° | 180.0° |
| C26 | C27 | C29 | H26 | 179.9° | 179.9° |
| F28 | C27 | C26 | H13 | 0.1° | 0.1° |
| F28 | C27 | C29 | H26 | 0.0° | 0.0° |
| O03 | C02 | C04 | H14 | 31.9° | 136.2° |
| O03 | C02 | O01 | H41 | 0.0° | 0.0° |
| O01 | C02 | C04 | H14 | 147.9° | 43.8° |
| H1 | C13 | C14 | H3 | 103.9° | 59.9° |
| H1 | C13 | C14 | H4 | 136.6° | 180.0° |
| H1 | C13 | C12 | H24 | 166.1° | 180.0° |
| H1 | C13 | C12 | H25 | 74.7° | 59.9° |
| H2 | C13 | C14 | H3 | 15.4° | 180.0° |
| H2 | C13 | C14 | H4 | 104.1° | 59.9° |
| H2 | C13 | C12 | H24 | 46.7° | 60.0° |
| H2 | C13 | C12 | H25 | 166.0° | 180.0° |
| H5 | C19 | C20 | H7 | 129.1° | 69.0° |
| H5 | C19 | C20 | H8 | 10.6° | 51.4° |
| H6 | C19 | C20 | H7 | 10.6° | 50.5° |
| H6 | C19 | C20 | H8 | 108.0° | 170.9° |
| H7 | C20 | C21 | H9 | 47.2° | 63.6° |
| H7 | C20 | C21 | H10 | 166.3° | 57.3° |
| H8 | C20 | C21 | H9 | 71.3° | 176.2° |
| H8 | C20 | C21 | H10 | 47.7° | 63.0° |
| H9 | C21 | N22 | H40 | 60.8° | 105.4° |
| H10 | C21 | N22 | H40 | 179.8° | 15.3° |
| H11 | C23 | C24 | H12 | 0.0° | 0.1° |
| H15 | C06 | C07 | H17 | 26.2° | 86.0° |
| H15 | C06 | C07 | H18 | 94.9° | 37.7° |
| H16 | C06 | C07 | H17 | 147.9° | 36.3° |
| H16 | C06 | C07 | H18 | 26.8° | 160.1° |
| H17 | C07 | C08 | H19 | 137.3° | 35.4° |
| H18 | C07 | C08 | H19 | 16.2° | 159.2° |
| H19 | C08 | C09 | H20 | 5.5° | 23.2° |
| H19 | C08 | C09 | H21 | 115.0° | 144.5° |
| H22 | C11 | C12 | H24 | 102.8° | 180.0° |
| H22 | C11 | C12 | H25 | 16.5° | 60.0° |
| H23 | C11 | C12 | H24 | 136.8° | 59.9° |
| H23 | C11 | C12 | H25 | 103.9° | 180.0° |
| H26 | C29 | C30 | H27 | 0.0° | 0.0° |
| H28 | C32 | C33 | H29 | 55.5° | 179.1° |
| H28 | C32 | C33 | H30 | 174.7° | 60.7° |
| H29 | C33 | C34 | H31 | 48.0° | 53.5° |
| H29 | C33 | C34 | H32 | 70.6° | 174.1° |
| H30 | C33 | C34 | H31 | 167.3° | 66.7° |
| H30 | C33 | C34 | H32 | 48.6° | 53.9° |
| H33 | C36 | C37 | H35 | 141.0° | 145.0° |
| H33 | C36 | C37 | H36 | 0.0° | 0.0° |
| H34 | C36 | C37 | H35 | 0.0° | 0.1° |
| H34 | C36 | C37 | H36 | 141.0° | 145.1° |
