A1EOE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C22 | C20 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | N19 | sing | 1.46Å | 1.46Å | |
| C20 | C23 | sing | 1.51Å | 1.54Å | |
| N19 | C2 | sing | 1.35Å | 1.34Å | |
| N18 | C17 | sing | 1.39Å | 1.39Å | |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| O14 | C15 | sing | 1.36Å | 1.37Å | |
| O14 | C13 | sing | 1.43Å | 1.43Å | |
| C17 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | N6 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | doub | 1.36Å | 1.36Å | Aromatic |
| C29 | C24 | sing | 1.41Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.47Å | 1.50Å | |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | O1 | doub | 1.22Å | 1.23Å | |
| C5 | N6 | sing | 1.40Å | 1.41Å | |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N6 | C7 | sing | 1.47Å | 1.46Å | |
| C28 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| N9 | C11 | sing | 1.47Å | 1.48Å | |
| N9 | C10 | sing | 1.47Å | 1.49Å | |
| N9 | C8 | sing | 1.47Å | 1.50Å | |
| C23 | C24 | doub | 1.41Å | 1.43Å | Aromatic |
| C23 | C30 | sing | 1.36Å | 1.37Å | Aromatic |
| C24 | C25 | sing | 1.42Å | 1.44Å | Aromatic |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.36Å | 1.36Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.41Å | Aromatic |
| C25 | C32 | doub | 1.41Å | 1.43Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | N33 | sing | 1.39Å | 1.38Å | |
| C39 | C38 | sing | 1.53Å | 1.52Å | |
| C39 | C34 | sing | 1.53Å | 1.52Å | |
| N33 | C34 | sing | 1.47Å | 1.45Å | |
| C38 | O37 | sing | 1.43Å | 1.44Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| O37 | C36 | sing | 1.43Å | 1.43Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C28 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.08Å | 1.08Å | |
| C31 | H24 | sing | 1.08Å | 1.08Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å | |
| C39 | H32 | sing | 1.09Å | 1.10Å | |
| C39 | H33 | sing | 1.09Å | 1.10Å | |
| N18 | H34 | sing | 0.97Å | 1.00Å | |
| N18 | H35 | sing | 0.97Å | 1.00Å | |
| N19 | H36 | sing | 0.97Å | 1.00Å | |
| N33 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C20 | 60.0° | 60.0° |
| C22 | C21 | C20 | 60.1° | 60.0° |
| C22 | C21 | H11 | 120.0° | 117.5° |
| C22 | C21 | H12 | 120.0° | 117.5° |
| C21 | C22 | H13 | 120.0° | 117.5° |
| C21 | C22 | H14 | 120.0° | 117.5° |
| C22 | C20 | C21 | 59.9° | 60.1° |
| C22 | C20 | N19 | 119.0° | 117.5° |
| C22 | C20 | C23 | 120.4° | 117.4° |
| C20 | C22 | H13 | 120.0° | 117.5° |
| C20 | C22 | H14 | 120.0° | 117.5° |
| C21 | C20 | N19 | 113.5° | 117.5° |
| C21 | C20 | C23 | 119.9° | 117.5° |
| C20 | C21 | H11 | 120.0° | 117.5° |
| C20 | C21 | H12 | 120.0° | 117.5° |
| N19 | C20 | C23 | 113.6° | 115.5° |
| C20 | N19 | C2 | 122.9° | 120.1° |
| C20 | N19 | H36 | 118.6° | 119.9° |
| C20 | C23 | C24 | 121.1° | 120.0° |
| C20 | C23 | C30 | 120.0° | 120.0° |
| N19 | C2 | C3 | 116.4° | 120.0° |
| N19 | C2 | O1 | 123.3° | 120.0° |
| C2 | N19 | H36 | 118.6° | 120.0° |
| N18 | C17 | C16 | 118.9° | 120.2° |
| N18 | C17 | C3 | 122.6° | 120.2° |
| C17 | N18 | H34 | 109.5° | 120.0° |
| C17 | N18 | H35 | 109.5° | 120.0° |
| C17 | C16 | C15 | 121.0° | 120.4° |
| C16 | C17 | C3 | 118.5° | 119.6° |
| C17 | C16 | H20 | 119.5° | 119.8° |
| C16 | C15 | O14 | 116.5° | 118.6° |
| C16 | C15 | C5 | 120.8° | 120.2° |
| C15 | C16 | H20 | 119.5° | 119.8° |
| C15 | O14 | C13 | 115.7° | 116.9° |
| O14 | C15 | C5 | 122.8° | 121.2° |
| O14 | C13 | C12 | 110.3° | 108.0° |
| O14 | C13 | H9 | 109.3° | 109.7° |
| O14 | C13 | H10 | 109.3° | 109.8° |
| C17 | C3 | C2 | 119.7° | 120.1° |
| C17 | C3 | C4 | 120.1° | 119.7° |
| C15 | C5 | N6 | 119.2° | 121.6° |
| C15 | C5 | C4 | 119.0° | 119.9° |
| N6 | C12 | C13 | 110.4° | 108.5° |
| N6 | C12 | C11 | 110.9° | 109.6° |
| C12 | N6 | C5 | 117.4° | 112.5° |
| C12 | N6 | C7 | 114.8° | 111.7° |
| N6 | C12 | H19 | 109.1° | 109.8° |
| C13 | C12 | C11 | 109.2° | 108.8° |
| C12 | C13 | H9 | 109.2° | 109.7° |
| C12 | C13 | H10 | 109.3° | 109.8° |
| C13 | C12 | H19 | 108.7° | 109.7° |
| C12 | C11 | N9 | 108.8° | 109.5° |
| C12 | C11 | H17 | 109.6° | 109.5° |
| C12 | C11 | H18 | 109.6° | 109.5° |
| C11 | C12 | H19 | 108.5° | 110.5° |
| C28 | C29 | C24 | 121.4° | 119.7° |
| C29 | C28 | C27 | 120.6° | 121.0° |
| C29 | C28 | H16 | 119.7° | 119.6° |
| C28 | C29 | H22 | 119.3° | 120.2° |
| C29 | C24 | C23 | 122.9° | 121.2° |
| C29 | C24 | C25 | 117.8° | 119.3° |
| C24 | C29 | H22 | 119.3° | 120.2° |
| C2 | C3 | C4 | 120.1° | 120.1° |
| C3 | C2 | O1 | 120.2° | 120.0° |
| C3 | C4 | C5 | 120.6° | 120.2° |
| C3 | C4 | H1 | 119.7° | 119.9° |
| N6 | C5 | C4 | 121.7° | 118.5° |
| C5 | N6 | C7 | 117.8° | 111.6° |
| C5 | C4 | H1 | 119.7° | 119.9° |
| N6 | C7 | C8 | 111.1° | 109.5° |
| N6 | C7 | H2 | 109.1° | 109.5° |
| N6 | C7 | H3 | 109.1° | 109.4° |
| C28 | C27 | C26 | 120.6° | 121.0° |
| C27 | C28 | H16 | 119.7° | 119.5° |
| C28 | C27 | H21 | 119.7° | 119.5° |
| C11 | N9 | C10 | 111.0° | 111.0° |
| C11 | N9 | C8 | 111.4° | 110.8° |
| N9 | C11 | H17 | 109.6° | 109.5° |
| N9 | C11 | H18 | 109.6° | 109.4° |
| C10 | N9 | C8 | 111.6° | 111.0° |
| N9 | C10 | H6 | 109.5° | 109.5° |
| N9 | C10 | H7 | 109.4° | 109.5° |
| N9 | C10 | H8 | 109.4° | 109.4° |
| N9 | C8 | C7 | 111.4° | 109.2° |
| N9 | C8 | H4 | 109.0° | 109.5° |
| N9 | C8 | H5 | 109.0° | 109.6° |
| C24 | C23 | C30 | 119.0° | 120.0° |
| C23 | C24 | C25 | 119.3° | 119.5° |
| C23 | C30 | C31 | 122.5° | 121.1° |
| C23 | C30 | H23 | 118.8° | 119.5° |
| C24 | C25 | C26 | 118.3° | 119.4° |
| C24 | C25 | C32 | 118.7° | 119.3° |
| C8 | C7 | H2 | 109.0° | 109.5° |
| C8 | C7 | H3 | 109.1° | 109.5° |
| C7 | C8 | H4 | 109.0° | 109.5° |
| C7 | C8 | H5 | 109.0° | 109.6° |
| C30 | C31 | C32 | 120.7° | 120.8° |
| C31 | C30 | H23 | 118.8° | 119.5° |
| C30 | C31 | H24 | 119.7° | 119.6° |
| C27 | C26 | C25 | 121.3° | 119.7° |
| C27 | C26 | H15 | 119.3° | 120.2° |
| C26 | C27 | H21 | 119.7° | 119.5° |
| C26 | C25 | C32 | 123.0° | 121.3° |
| C25 | C26 | H15 | 119.4° | 120.2° |
| C25 | C32 | C31 | 119.9° | 119.4° |
| C25 | C32 | N33 | 117.2° | 120.3° |
| C31 | C32 | N33 | 122.9° | 120.3° |
| C32 | C31 | H24 | 119.7° | 119.7° |
| C32 | N33 | C34 | 125.2° | 120.0° |
| C32 | N33 | H37 | 105.4° | 120.0° |
| C38 | C39 | C34 | 111.0° | 109.2° |
| C39 | C38 | O37 | 111.7° | 109.4° |
| C39 | C38 | H30 | 108.9° | 109.5° |
| C39 | C38 | H31 | 108.9° | 109.5° |
| C38 | C39 | H32 | 109.1° | 109.5° |
| C38 | C39 | H33 | 109.1° | 109.5° |
| C39 | C34 | N33 | 110.2° | 109.6° |
| C39 | C34 | C35 | 110.7° | 109.0° |
| C39 | C34 | H25 | 108.3° | 109.5° |
| C34 | C39 | H32 | 109.1° | 109.5° |
| C34 | C39 | H33 | 109.1° | 109.5° |
| N33 | C34 | C35 | 110.1° | 109.5° |
| N33 | C34 | H25 | 109.2° | 109.6° |
| C34 | N33 | H37 | 105.4° | 120.0° |
| C38 | O37 | C36 | 110.9° | 114.1° |
| O37 | C38 | H30 | 108.9° | 109.5° |
| O37 | C38 | H31 | 108.9° | 109.5° |
| C34 | C35 | C36 | 110.1° | 109.2° |
| C35 | C34 | H25 | 108.3° | 109.5° |
| C34 | C35 | H26 | 109.3° | 109.5° |
| C34 | C35 | H27 | 109.3° | 109.5° |
| O37 | C36 | C35 | 111.4° | 109.4° |
| O37 | C36 | H28 | 109.0° | 109.5° |
| O37 | C36 | H29 | 109.0° | 109.5° |
| C36 | C35 | H26 | 109.3° | 109.6° |
| C36 | C35 | H27 | 109.3° | 109.5° |
| C35 | C36 | H28 | 109.0° | 109.5° |
| C35 | C36 | H29 | 109.0° | 109.5° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H6 | C10 | H8 | 109.5° | 109.4° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.7° |
| H11 | C21 | H12 | 109.5° | 115.6° |
| H13 | C22 | H14 | 109.5° | 115.6° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H26 | C35 | H27 | 109.5° | 109.6° |
| H28 | C36 | H29 | 109.5° | 109.5° |
| H30 | C38 | H31 | 109.5° | 109.5° |
| H32 | C39 | H33 | 109.5° | 109.6° |
| H34 | N18 | H35 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C20 | H13 | 109.5° | 107.5° |
| C21 | C22 | C20 | H14 | 109.5° | 107.4° |
| C22 | C21 | C20 | H11 | 109.5° | 107.5° |
| C22 | C21 | C20 | H12 | 109.5° | 107.5° |
| C21 | C22 | C20 | N19 | 101.9° | 107.5° |
| C21 | C22 | C20 | C23 | 109.2° | 107.5° |
| C22 | C21 | H11 | H12 | 144.7° | 145.7° |
| C21 | C22 | H13 | H14 | 144.7° | 145.7° |
| C22 | C20 | N19 | C23 | 151.0° | 145.6° |
| C22 | C20 | N19 | C2 | 133.4° | 111.2° |
| C22 | C20 | C23 | C24 | 66.1° | 132.4° |
| C22 | C20 | C23 | C30 | 112.1° | 47.7° |
| C20 | C22 | H13 | H14 | 144.7° | 145.8° |
| C22 | C20 | N19 | H36 | 46.6° | 68.8° |
| C21 | C20 | N19 | C23 | 141.6° | 145.7° |
| C21 | C20 | N19 | C2 | 66.0° | 179.9° |
| C21 | C20 | C23 | C24 | 136.6° | 63.7° |
| C21 | C20 | C23 | C30 | 41.6° | 116.3° |
| C20 | C21 | H11 | H12 | 144.7° | 145.7° |
| C21 | C20 | N19 | H36 | 114.0° | 0.1° |
| C20 | N19 | C2 | H36 | 180.0° | 180.0° |
| C20 | N19 | C2 | C3 | 174.8° | 180.0° |
| C20 | N19 | C2 | O1 | 1.7° | 0.0° |
| N19 | C20 | C23 | C24 | 84.4° | 82.0° |
| N19 | C20 | C23 | C30 | 97.4° | 97.9° |
| N19 | C20 | C21 | H11 | 139.5° | 0.0° |
| N19 | C20 | C21 | H12 | 1.5° | 145.0° |
| N19 | C20 | C22 | H13 | 7.6° | 145.0° |
| N19 | C20 | C22 | H14 | 148.6° | 0.1° |
| C23 | C20 | N19 | C2 | 75.6° | 34.4° |
| C20 | C23 | C24 | C29 | 4.2° | 0.3° |
| C20 | C23 | C24 | C30 | 178.2° | 180.0° |
| C20 | C23 | C24 | C25 | 177.7° | 179.9° |
| C20 | C23 | C30 | C31 | 177.8° | 179.9° |
| C23 | C20 | C21 | H11 | 0.5° | 145.0° |
| C23 | C20 | C21 | H12 | 140.6° | 0.0° |
| C23 | C20 | C22 | H13 | 141.4° | 0.1° |
| C23 | C20 | C22 | H14 | 0.3° | 145.0° |
| C20 | C23 | C30 | H23 | 2.2° | 0.0° |
| C23 | C20 | N19 | H36 | 104.4° | 145.6° |
| N19 | C2 | C3 | C17 | 130.1° | 173.9° |
| N19 | C2 | C3 | O1 | 176.7° | 180.0° |
| N19 | C2 | C3 | C4 | 46.1° | 5.5° |
| N18 | C17 | C16 | C3 | 178.0° | 180.0° |
| N18 | C17 | C16 | C15 | 178.1° | 179.7° |
| N18 | C17 | C3 | C2 | 1.9° | 0.1° |
| N18 | C17 | C3 | C4 | 178.1° | 179.3° |
| N18 | C17 | C16 | H20 | 1.9° | 0.0° |
| C17 | N18 | H34 | H35 | 120.0° | 179.9° |
| C17 | C16 | C15 | H20 | 180.0° | 179.7° |
| C17 | C16 | C15 | O14 | 179.6° | 179.5° |
| C17 | C16 | C15 | C5 | 0.3° | 0.2° |
| C16 | C17 | C3 | C2 | 176.1° | 179.9° |
| C16 | C17 | C3 | C4 | 0.2° | 0.7° |
| C16 | C17 | N18 | H34 | 180.0° | 173.7° |
| C16 | C17 | N18 | H35 | 60.0° | 6.2° |
| C16 | C15 | O14 | C5 | 179.9° | 179.7° |
| C16 | C15 | O14 | C13 | 163.0° | 165.1° |
| C15 | C16 | C17 | C3 | 0.0° | 0.3° |
| C16 | C15 | C5 | N6 | 175.1° | 179.7° |
| C16 | C15 | C5 | C4 | 0.7° | 0.2° |
| C15 | O14 | C13 | C12 | 47.0° | 45.6° |
| O14 | C15 | C5 | N6 | 5.0° | 0.6° |
| O14 | C15 | C5 | C4 | 179.2° | 179.4° |
| C15 | O14 | C13 | H9 | 73.1° | 74.0° |
| C15 | O14 | C13 | H10 | 167.2° | 165.3° |
| O14 | C15 | C16 | H20 | 0.4° | 0.7° |
| C13 | O14 | C15 | C5 | 16.9° | 15.2° |
| O14 | C13 | C12 | N6 | 55.9° | 63.2° |
| O14 | C13 | C12 | H9 | 120.1° | 119.5° |
| O14 | C13 | C12 | H10 | 120.2° | 119.7° |
| O14 | C13 | C12 | C11 | 178.1° | 56.0° |
| O14 | C13 | H9 | H10 | 119.6° | 120.8° |
| O14 | C13 | C12 | H19 | 63.7° | 176.9° |
| C17 | C3 | C2 | C4 | 176.2° | 179.4° |
| C17 | C3 | C2 | O1 | 46.6° | 6.1° |
| C17 | C3 | C4 | C5 | 0.6° | 0.7° |
| C17 | C3 | C4 | H1 | 179.4° | 179.6° |
| C3 | C17 | C16 | H20 | 179.9° | 179.9° |
| C3 | C17 | N18 | H34 | 2.1° | 6.3° |
| C3 | C17 | N18 | H35 | 117.9° | 173.8° |
| C15 | C5 | N6 | C12 | 6.2° | 20.0° |
| C15 | C5 | C4 | C3 | 0.9° | 0.2° |
| C15 | C5 | N6 | C4 | 175.7° | 179.9° |
| C15 | C5 | N6 | C7 | 137.6° | 146.4° |
| C15 | C5 | C4 | H1 | 179.1° | 179.9° |
| C5 | C15 | C16 | H20 | 179.7° | 179.6° |
| N6 | C12 | C13 | C11 | 122.2° | 119.1° |
| N6 | C12 | C13 | H19 | 119.6° | 119.9° |
| N6 | C12 | C11 | H19 | 119.8° | 121.1° |
| C12 | N6 | C5 | C7 | 143.8° | 126.4° |
| C12 | N6 | C5 | C4 | 169.5° | 160.0° |
| N6 | C12 | C11 | N9 | 47.9° | 57.5° |
| C12 | N6 | C7 | C8 | 57.6° | 58.3° |
| C12 | N6 | C7 | H2 | 177.8° | 178.4° |
| C12 | N6 | C7 | H3 | 62.7° | 61.7° |
| N6 | C12 | C13 | H9 | 64.2° | 56.4° |
| N6 | C12 | C13 | H10 | 176.1° | 177.1° |
| N6 | C12 | C11 | H17 | 72.0° | 62.5° |
| N6 | C12 | C11 | H18 | 167.8° | 177.5° |
| C13 | C12 | C11 | H19 | 118.3° | 120.5° |
| C13 | C12 | N6 | C5 | 36.1° | 50.1° |
| C13 | C12 | N6 | C7 | 108.8° | 176.5° |
| C13 | C12 | C11 | N9 | 169.8° | 175.9° |
| C12 | C13 | H9 | H10 | 119.6° | 120.8° |
| C13 | C12 | C11 | H17 | 49.9° | 55.9° |
| C13 | C12 | C11 | H18 | 70.3° | 64.1° |
| C11 | C12 | N6 | C5 | 157.3° | 68.5° |
| C11 | C12 | N6 | C7 | 12.4° | 57.9° |
| C12 | C11 | N9 | H17 | 119.9° | 120.0° |
| C12 | C11 | N9 | H18 | 119.9° | 120.0° |
| C12 | C11 | N9 | C10 | 169.8° | 176.6° |
| C12 | C11 | N9 | C8 | 65.2° | 59.6° |
| C11 | C12 | C13 | H9 | 58.0° | 175.5° |
| C11 | C12 | C13 | H10 | 61.7° | 63.8° |
| C12 | C11 | H17 | H18 | 120.3° | 120.0° |
| C28 | C29 | C24 | H22 | 180.0° | 179.9° |
| C29 | C28 | C27 | H16 | 180.0° | 179.4° |
| C28 | C29 | C24 | C23 | 178.4° | 179.7° |
| C28 | C29 | C24 | C25 | 0.2° | 0.1° |
| C29 | C28 | C27 | C26 | 0.0° | 0.7° |
| C29 | C28 | C27 | H21 | 180.0° | 179.4° |
| C24 | C29 | C28 | C27 | 0.1° | 0.4° |
| C29 | C24 | C23 | C25 | 178.1° | 179.6° |
| C29 | C24 | C23 | C30 | 177.6° | 179.7° |
| C29 | C24 | C25 | C26 | 0.3° | 0.3° |
| C29 | C24 | C25 | C32 | 178.0° | 179.7° |
| C24 | C29 | C28 | H16 | 179.9° | 179.8° |
| C2 | C3 | C4 | C5 | 175.6° | 180.0° |
| C2 | C3 | C4 | H1 | 4.4° | 0.2° |
| C3 | C2 | N19 | H36 | 5.2° | 0.0° |
| C4 | C3 | C2 | O1 | 137.2° | 174.5° |
| C3 | C4 | C5 | N6 | 174.9° | 179.9° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| O1 | C2 | N19 | H36 | 178.3° | 180.0° |
| C5 | N6 | C7 | C8 | 157.6° | 68.5° |
| N6 | C5 | C4 | H1 | 5.2° | 0.2° |
| C5 | N6 | C7 | H2 | 37.4° | 51.5° |
| C5 | N6 | C7 | H3 | 82.1° | 171.5° |
| C5 | N6 | C12 | H19 | 83.3° | 170.1° |
| C4 | C5 | N6 | C7 | 46.7° | 33.6° |
| N6 | C7 | C8 | N9 | 39.4° | 58.2° |
| N6 | C7 | C8 | H2 | 120.2° | 120.0° |
| N6 | C7 | C8 | H3 | 120.3° | 120.0° |
| N6 | C7 | H2 | H3 | 119.3° | 120.0° |
| N6 | C7 | C8 | H4 | 159.7° | 178.1° |
| N6 | C7 | C8 | H5 | 80.9° | 61.8° |
| C7 | N6 | C12 | H19 | 131.8° | 63.6° |
| C28 | C27 | C26 | H21 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.1° | 0.4° |
| C28 | C27 | C26 | H15 | 179.9° | 179.5° |
| C27 | C28 | C29 | H22 | 179.9° | 179.5° |
| C11 | N9 | C10 | C8 | 124.9° | 123.7° |
| C11 | N9 | C8 | C7 | 20.1° | 59.9° |
| C11 | N9 | C8 | H4 | 100.2° | 179.8° |
| C11 | N9 | C8 | H5 | 140.4° | 60.1° |
| C11 | N9 | C10 | H6 | 180.0° | 60.0° |
| C11 | N9 | C10 | H7 | 60.0° | 180.0° |
| C11 | N9 | C10 | H8 | 60.0° | 60.0° |
| N9 | C11 | H17 | H18 | 120.3° | 120.0° |
| N9 | C11 | C12 | H19 | 71.9° | 63.6° |
| C10 | N9 | C8 | C7 | 144.8° | 176.3° |
| C10 | N9 | C8 | H4 | 24.5° | 56.5° |
| C10 | N9 | C8 | H5 | 94.9° | 63.6° |
| N9 | C10 | H6 | H7 | 120.0° | 120.0° |
| N9 | C10 | H6 | H8 | 120.0° | 120.0° |
| N9 | C10 | H7 | H8 | 120.0° | 120.0° |
| C10 | N9 | C11 | H17 | 70.4° | 63.4° |
| C10 | N9 | C11 | H18 | 49.9° | 56.6° |
| N9 | C8 | C7 | H4 | 120.3° | 119.9° |
| N9 | C8 | C7 | H5 | 120.3° | 120.0° |
| N9 | C8 | C7 | H2 | 159.6° | 178.2° |
| N9 | C8 | C7 | H3 | 80.9° | 61.8° |
| N9 | C8 | H4 | H5 | 119.1° | 120.1° |
| C8 | N9 | C10 | H6 | 55.1° | 176.4° |
| C8 | N9 | C10 | H7 | 64.9° | 56.3° |
| C8 | N9 | C10 | H8 | 175.1° | 63.7° |
| C8 | N9 | C11 | H17 | 54.7° | 60.4° |
| C8 | N9 | C11 | H18 | 174.9° | 179.5° |
| C24 | C23 | C30 | C31 | 0.5° | 0.0° |
| C23 | C24 | C25 | C26 | 178.5° | 180.0° |
| C23 | C24 | C25 | C32 | 0.2° | 0.1° |
| C23 | C24 | C29 | H22 | 1.6° | 0.3° |
| C24 | C23 | C30 | H23 | 179.5° | 180.0° |
| C30 | C23 | C24 | C25 | 0.5° | 0.1° |
| C23 | C30 | C31 | H23 | 180.0° | 180.0° |
| C23 | C30 | C31 | C32 | 0.2° | 0.0° |
| C23 | C30 | C31 | H24 | 179.9° | 179.9° |
| C24 | C25 | C26 | C27 | 0.2° | 0.1° |
| C24 | C25 | C26 | C32 | 178.3° | 179.9° |
| C24 | C25 | C32 | C31 | 0.1° | 0.1° |
| C24 | C25 | C32 | N33 | 178.7° | 179.9° |
| C24 | C25 | C26 | H15 | 179.8° | 180.0° |
| C25 | C24 | C29 | H22 | 179.7° | 180.0° |
| C8 | C7 | H2 | H3 | 119.2° | 120.0° |
| C7 | C8 | H4 | H5 | 119.1° | 120.1° |
| C30 | C31 | C32 | C25 | 0.1° | 0.0° |
| C30 | C31 | C32 | H24 | 180.0° | 179.9° |
| C30 | C31 | C32 | N33 | 178.6° | 180.0° |
| C27 | C26 | C25 | H15 | 180.0° | 180.0° |
| C27 | C26 | C25 | C32 | 178.0° | 180.0° |
| C26 | C27 | C28 | H16 | 180.0° | 180.0° |
| C26 | C25 | C32 | C31 | 178.1° | 180.0° |
| C26 | C25 | C32 | N33 | 3.0° | 0.0° |
| C25 | C26 | C27 | H21 | 179.9° | 179.6° |
| C25 | C32 | C31 | N33 | 178.8° | 180.0° |
| C25 | C32 | N33 | C34 | 157.4° | 180.0° |
| C32 | C25 | C26 | H15 | 2.0° | 0.0° |
| C25 | C32 | C31 | H24 | 179.8° | 179.9° |
| C25 | C32 | N33 | H37 | 80.5° | 0.0° |
| C31 | C32 | N33 | C34 | 21.4° | 0.0° |
| C32 | C31 | C30 | H23 | 179.8° | 180.0° |
| C31 | C32 | N33 | H37 | 100.7° | 180.0° |
| C32 | N33 | C34 | C39 | 67.9° | 85.4° |
| C32 | N33 | C34 | H37 | 122.1° | 179.9° |
| C32 | N33 | C34 | C35 | 169.7° | 155.0° |
| N33 | C32 | C31 | H24 | 1.4° | 0.1° |
| C32 | N33 | C34 | H25 | 50.9° | 34.8° |
| C38 | C39 | C34 | H32 | 120.2° | 119.9° |
| C38 | C39 | C34 | H33 | 120.2° | 119.9° |
| C38 | C39 | C34 | N33 | 179.4° | 176.9° |
| C39 | C38 | O37 | H30 | 120.3° | 120.0° |
| C39 | C38 | O37 | H31 | 120.3° | 120.0° |
| C38 | C39 | C34 | C35 | 58.5° | 57.0° |
| C39 | C38 | O37 | C36 | 46.2° | 61.1° |
| C38 | C39 | C34 | H25 | 60.1° | 62.9° |
| C39 | C38 | H30 | H31 | 119.0° | 120.0° |
| C38 | C39 | H32 | H33 | 119.3° | 120.2° |
| C39 | C34 | N33 | C35 | 122.4° | 119.6° |
| C39 | C34 | N33 | H25 | 118.8° | 120.2° |
| C34 | C39 | C38 | O37 | 16.4° | 57.6° |
| C39 | C34 | C35 | H25 | 118.6° | 119.8° |
| C39 | C34 | C35 | C36 | 36.5° | 57.0° |
| C39 | C34 | C35 | H26 | 156.6° | 176.9° |
| C39 | C34 | C35 | H27 | 83.6° | 62.9° |
| C34 | C39 | C38 | H30 | 136.8° | 177.6° |
| C34 | C39 | C38 | H31 | 103.9° | 62.4° |
| C34 | C39 | H32 | H33 | 119.3° | 120.1° |
| C39 | C34 | N33 | H37 | 170.0° | 94.6° |
| N33 | C34 | C35 | H25 | 119.3° | 120.2° |
| N33 | C34 | C35 | C36 | 158.6° | 176.9° |
| N33 | C34 | C35 | H26 | 81.3° | 63.1° |
| N33 | C34 | C35 | H27 | 38.5° | 57.1° |
| N33 | C34 | C39 | H32 | 59.2° | 57.0° |
| N33 | C34 | C39 | H33 | 60.3° | 63.2° |
| C38 | O37 | C36 | C35 | 70.0° | 61.1° |
| C38 | O37 | C36 | H28 | 50.3° | 58.9° |
| C38 | O37 | C36 | H29 | 169.7° | 178.9° |
| O37 | C38 | H30 | H31 | 118.9° | 120.0° |
| O37 | C38 | C39 | H32 | 136.7° | 62.3° |
| O37 | C38 | C39 | H33 | 103.8° | 177.5° |
| C34 | C35 | C36 | O37 | 24.4° | 57.6° |
| C34 | C35 | C36 | H26 | 120.1° | 120.0° |
| C34 | C35 | C36 | H27 | 120.1° | 119.9° |
| C34 | C35 | H26 | H27 | 119.7° | 120.1° |
| C34 | C35 | C36 | H28 | 95.9° | 62.4° |
| C34 | C35 | C36 | H29 | 144.7° | 177.6° |
| C35 | C34 | C39 | H32 | 178.8° | 62.9° |
| C35 | C34 | C39 | H33 | 61.7° | 176.9° |
| C35 | C34 | N33 | H37 | 47.6° | 25.0° |
| O37 | C36 | C35 | H28 | 120.3° | 120.0° |
| O37 | C36 | C35 | H29 | 120.3° | 120.0° |
| O37 | C36 | C35 | H26 | 95.7° | 177.5° |
| O37 | C36 | C35 | H27 | 144.5° | 62.3° |
| O37 | C36 | H28 | H29 | 119.1° | 120.0° |
| C36 | O37 | C38 | H30 | 74.1° | 178.9° |
| C36 | O37 | C38 | H31 | 166.6° | 58.9° |
| C36 | C35 | C34 | H25 | 82.1° | 62.9° |
| C36 | C35 | H26 | H27 | 119.7° | 120.1° |
| C35 | C36 | H28 | H29 | 119.1° | 120.0° |
| H2 | C7 | C8 | H4 | 80.1° | 61.9° |
| H2 | C7 | C8 | H5 | 39.3° | 58.2° |
| H3 | C7 | C8 | H4 | 39.4° | 58.1° |
| H3 | C7 | C8 | H5 | 158.8° | 178.2° |
| H6 | C10 | H7 | H8 | 120.0° | 120.0° |
| H9 | C13 | C12 | H19 | 176.2° | 63.6° |
| H10 | C13 | C12 | H19 | 56.4° | 57.2° |
| H11 | C21 | C22 | H13 | 141.0° | 145.0° |
| H11 | C21 | C22 | H14 | 0.0° | 0.0° |
| H12 | C21 | C22 | H13 | 0.0° | 0.0° |
| H12 | C21 | C22 | H14 | 141.1° | 145.0° |
| H15 | C26 | C27 | H21 | 0.1° | 0.4° |
| H16 | C28 | C27 | H21 | 0.0° | 0.0° |
| H16 | C28 | C29 | H22 | 0.2° | 0.2° |
| H17 | C11 | C12 | H19 | 168.2° | 176.4° |
| H18 | C11 | C12 | H19 | 48.0° | 56.4° |
| H23 | C30 | C31 | H24 | 0.1° | 0.0° |
| H25 | C34 | C35 | H26 | 38.0° | 57.1° |
| H25 | C34 | C35 | H27 | 157.8° | 177.3° |
| H25 | C34 | C39 | H32 | 60.1° | 177.2° |
| H25 | C34 | C39 | H33 | 179.7° | 57.0° |
| H25 | C34 | N33 | H37 | 71.2° | 145.2° |
| H26 | C35 | C36 | H28 | 144.0° | 57.5° |
| H26 | C35 | C36 | H29 | 24.6° | 62.4° |
| H27 | C35 | C36 | H28 | 24.2° | 177.7° |
| H27 | C35 | C36 | H29 | 95.2° | 57.7° |
| H30 | C38 | C39 | H32 | 103.0° | 57.7° |
| H30 | C38 | C39 | H33 | 16.5° | 62.6° |
| H31 | C38 | C39 | H32 | 16.3° | 177.7° |
| H31 | C38 | C39 | H33 | 135.9° | 57.5° |
