2DX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | sing | 1.55Å | 1.55Å | |
| C24 | C22 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.55Å | 1.56Å | |
| O8 | C7 | doub | 1.21Å | 1.22Å | |
| C6 | N5 | sing | 1.47Å | 1.49Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | N27 | sing | 1.49Å | 1.49Å | |
| N5 | C3 | sing | 1.47Å | 1.49Å | |
| C21 | N20 | sing | 1.48Å | 1.49Å | |
| C7 | C3 | sing | 1.51Å | 1.52Å | |
| C7 | N9 | sing | 1.35Å | 1.36Å | |
| C26 | N27 | sing | 1.47Å | 1.48Å | |
| C12 | C10 | sing | 1.53Å | 1.56Å | |
| C12 | C17 | sing | 1.53Å | 1.55Å | |
| C10 | N9 | sing | 1.46Å | 1.48Å | |
| C10 | C18 | sing | 1.51Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| N27 | C28 | sing | 1.46Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| N20 | C18 | sing | 1.35Å | 1.36Å | |
| N20 | C29 | sing | 1.47Å | 1.48Å | |
| C18 | O19 | doub | 1.21Å | 1.22Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C28 | C29 | sing | 1.54Å | 1.56Å | |
| C29 | C31 | sing | 1.51Å | 1.52Å | |
| O32 | C31 | doub | 1.21Å | 1.21Å | |
| C31 | N33 | sing | 1.35Å | 1.35Å | |
| N33 | C34 | sing | 1.46Å | 1.46Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C34 | C43 | sing | 1.51Å | 1.51Å | |
| C36 | O37 | sing | 1.43Å | 1.43Å | |
| C43 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| O37 | C38 | sing | 1.36Å | 1.35Å | |
| C38 | C39 | doub | 1.39Å | 1.40Å | Aromatic |
| C41 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| N5 | H7 | sing | 1.01Å | 1.00Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| N9 | H12 | sing | 0.97Å | 1.00Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| N33 | H38 | sing | 0.97Å | 1.00Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H40 | sing | 1.09Å | 1.10Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C36 | H43 | sing | 1.09Å | 1.10Å | |
| C39 | H44 | sing | 1.08Å | 1.08Å | |
| C40 | H45 | sing | 1.08Å | 1.08Å | |
| C41 | H46 | sing | 1.08Å | 1.08Å | |
| C42 | H47 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C22 | 104.1° | 104.3° |
| C24 | C25 | C26 | 104.7° | 105.0° |
| C25 | C24 | H28 | 110.8° | 110.5° |
| C25 | C24 | H29 | 110.8° | 110.5° |
| C24 | C25 | H30 | 110.7° | 110.4° |
| C24 | C25 | H31 | 110.7° | 110.4° |
| C24 | C22 | C21 | 113.9° | 113.5° |
| C24 | C22 | N27 | 103.9° | 103.7° |
| C24 | C22 | H27 | 109.7° | 111.2° |
| C22 | C24 | H28 | 110.8° | 110.5° |
| C22 | C24 | H29 | 110.8° | 110.5° |
| C25 | C26 | N27 | 103.5° | 103.5° |
| C26 | C25 | H30 | 110.7° | 110.3° |
| C26 | C25 | H31 | 110.7° | 110.4° |
| C25 | C26 | H32 | 110.9° | 110.6° |
| C25 | C26 | H33 | 110.9° | 110.6° |
| O8 | C7 | C3 | 120.5° | 120.0° |
| O8 | C7 | N9 | 120.7° | 120.0° |
| C6 | N5 | C3 | 115.2° | 111.0° |
| C6 | N5 | H7 | 108.0° | 111.0° |
| N5 | C6 | H9 | 109.5° | 109.5° |
| N5 | C6 | H10 | 109.5° | 109.5° |
| N5 | C6 | H11 | 109.5° | 109.5° |
| C13 | C14 | C15 | 110.7° | 109.5° |
| C14 | C13 | C12 | 110.5° | 109.4° |
| C14 | C13 | H15 | 109.2° | 109.5° |
| C14 | C13 | H16 | 109.2° | 109.4° |
| C13 | C14 | H17 | 109.2° | 109.5° |
| C13 | C14 | H18 | 109.2° | 109.5° |
| C14 | C15 | C16 | 111.1° | 109.5° |
| C15 | C14 | H17 | 109.2° | 109.5° |
| C15 | C14 | H18 | 109.2° | 109.5° |
| C14 | C15 | H19 | 109.1° | 109.5° |
| C14 | C15 | H20 | 109.0° | 109.5° |
| C13 | C12 | C10 | 110.7° | 109.5° |
| C13 | C12 | C17 | 109.4° | 109.5° |
| C13 | C12 | H14 | 107.8° | 109.5° |
| C12 | C13 | H15 | 109.2° | 109.5° |
| C12 | C13 | H16 | 109.2° | 109.5° |
| C21 | C22 | N27 | 109.0° | 107.3° |
| C22 | C21 | N20 | 111.5° | 106.6° |
| C22 | C21 | H25 | 109.0° | 110.0° |
| C22 | C21 | H26 | 109.0° | 110.1° |
| C21 | C22 | H27 | 109.8° | 110.4° |
| C22 | N27 | C26 | 102.8° | 103.7° |
| C22 | N27 | C28 | 111.1° | 109.5° |
| N27 | C22 | H27 | 110.4° | 110.5° |
| N5 | C3 | C7 | 113.2° | 109.4° |
| N5 | C3 | C2 | 107.6° | 109.5° |
| N5 | C3 | H6 | 109.5° | 109.5° |
| C3 | N5 | H7 | 108.0° | 111.0° |
| C21 | N20 | C18 | 121.0° | 120.2° |
| C21 | N20 | C29 | 121.8° | 119.6° |
| N20 | C21 | H25 | 109.0° | 110.0° |
| N20 | C21 | H26 | 109.0° | 110.0° |
| C3 | C7 | N9 | 118.7° | 120.0° |
| C7 | C3 | C2 | 108.8° | 109.5° |
| C7 | C3 | H6 | 109.0° | 109.4° |
| C7 | N9 | C10 | 123.4° | 120.0° |
| C7 | N9 | H12 | 118.3° | 120.0° |
| C26 | N27 | C28 | 115.2° | 116.1° |
| N27 | C26 | H32 | 110.9° | 110.6° |
| N27 | C26 | H33 | 110.9° | 110.6° |
| C10 | C12 | C17 | 113.2° | 109.5° |
| C12 | C10 | N9 | 111.1° | 109.5° |
| C12 | C10 | C18 | 112.1° | 109.5° |
| C12 | C10 | H13 | 107.9° | 109.5° |
| C10 | C12 | H14 | 107.7° | 109.5° |
| C12 | C17 | C16 | 110.7° | 109.5° |
| C17 | C12 | H14 | 107.8° | 109.5° |
| C12 | C17 | H23 | 109.2° | 109.5° |
| C12 | C17 | H24 | 109.1° | 109.5° |
| N9 | C10 | C18 | 108.5° | 109.5° |
| C10 | N9 | H12 | 118.3° | 120.0° |
| N9 | C10 | H13 | 108.9° | 109.4° |
| C10 | C18 | N20 | 122.7° | 120.0° |
| C10 | C18 | O19 | 119.0° | 120.0° |
| C18 | C10 | H13 | 108.3° | 109.5° |
| C3 | C2 | C1 | 112.6° | 109.5° |
| C3 | C2 | H4 | 108.7° | 109.5° |
| C3 | C2 | H5 | 108.6° | 109.5° |
| C2 | C3 | H6 | 108.7° | 109.5° |
| C15 | C16 | C17 | 110.9° | 109.5° |
| C16 | C15 | H19 | 109.1° | 109.5° |
| C16 | C15 | H20 | 109.1° | 109.4° |
| C15 | C16 | H21 | 109.1° | 109.4° |
| C15 | C16 | H22 | 109.1° | 109.5° |
| N27 | C28 | C29 | 108.5° | 107.6° |
| N27 | C28 | H35 | 109.7° | 109.8° |
| N27 | C28 | H36 | 109.8° | 109.8° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 108.7° | 109.5° |
| C1 | C2 | H5 | 108.7° | 109.5° |
| C18 | N20 | C29 | 117.2° | 120.2° |
| N20 | C18 | O19 | 118.3° | 120.0° |
| N20 | C29 | C28 | 113.8° | 109.6° |
| N20 | C29 | C31 | 109.3° | 109.4° |
| N20 | C29 | H37 | 108.8° | 109.4° |
| C17 | C16 | H21 | 109.1° | 109.5° |
| C17 | C16 | H22 | 109.1° | 109.5° |
| C16 | C17 | H23 | 109.1° | 109.4° |
| C16 | C17 | H24 | 109.2° | 109.4° |
| C28 | C29 | C31 | 108.8° | 109.6° |
| C29 | C28 | H35 | 109.8° | 110.0° |
| C29 | C28 | H36 | 109.7° | 109.7° |
| C28 | C29 | H37 | 107.7° | 109.4° |
| C29 | C31 | O32 | 120.0° | 120.0° |
| C29 | C31 | N33 | 119.9° | 120.0° |
| C31 | C29 | H37 | 108.3° | 109.3° |
| O32 | C31 | N33 | 120.0° | 119.9° |
| C31 | N33 | C34 | 123.1° | 120.0° |
| C31 | N33 | H38 | 118.5° | 119.9° |
| N33 | C34 | C35 | 104.9° | 109.4° |
| N33 | C34 | C43 | 109.8° | 109.5° |
| C34 | N33 | H38 | 118.4° | 120.0° |
| N33 | C34 | H39 | 110.9° | 109.4° |
| C34 | C35 | C36 | 110.7° | 108.3° |
| C35 | C34 | C43 | 111.1° | 109.7° |
| C35 | C34 | H39 | 109.9° | 109.4° |
| C34 | C35 | H40 | 109.2° | 109.7° |
| C34 | C35 | H41 | 109.2° | 109.8° |
| C35 | C36 | O37 | 108.7° | 108.4° |
| C36 | C35 | H40 | 109.2° | 109.6° |
| C36 | C35 | H41 | 109.1° | 109.7° |
| C35 | C36 | H42 | 109.6° | 109.7° |
| C35 | C36 | H43 | 109.7° | 109.6° |
| C34 | C43 | C42 | 119.0° | 118.7° |
| C34 | C43 | C38 | 121.8° | 121.4° |
| C43 | C34 | H39 | 110.1° | 109.4° |
| C36 | O37 | C38 | 117.9° | 117.9° |
| O37 | C36 | H42 | 109.7° | 109.7° |
| O37 | C36 | H43 | 109.7° | 109.7° |
| C42 | C43 | C38 | 119.2° | 119.8° |
| C43 | C42 | C41 | 119.7° | 120.3° |
| C43 | C42 | H47 | 120.1° | 119.9° |
| C43 | C38 | O37 | 121.1° | 121.8° |
| C43 | C38 | C39 | 121.5° | 119.7° |
| C42 | C41 | C40 | 120.9° | 120.0° |
| C42 | C41 | H46 | 119.6° | 120.0° |
| C41 | C42 | H47 | 120.2° | 119.8° |
| O37 | C38 | C39 | 117.4° | 118.6° |
| C38 | C39 | C40 | 118.4° | 120.2° |
| C38 | C39 | H44 | 120.8° | 119.9° |
| C41 | C40 | C39 | 120.2° | 120.0° |
| C41 | C40 | H45 | 119.9° | 120.0° |
| C40 | C41 | H46 | 119.5° | 120.0° |
| C40 | C39 | H44 | 120.8° | 119.9° |
| C39 | C40 | H45 | 119.9° | 120.0° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| H9 | C6 | H10 | 109.4° | 109.4° |
| H9 | C6 | H11 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.4° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.4° |
| H23 | C17 | H24 | 109.5° | 109.5° |
| H25 | C21 | H26 | 109.5° | 110.0° |
| H28 | C24 | H29 | 109.5° | 110.5° |
| H30 | C25 | H31 | 109.4° | 110.3° |
| H32 | C26 | H33 | 109.5° | 110.7° |
| H35 | C28 | H36 | 109.5° | 109.9° |
| H40 | C35 | H41 | 109.5° | 109.7° |
| H42 | C36 | H43 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C22 | H28 | 119.1° | 118.7° |
| C25 | C24 | C22 | H29 | 119.1° | 118.7° |
| C24 | C25 | C26 | H30 | 119.3° | 118.9° |
| C24 | C25 | C26 | H31 | 119.3° | 118.9° |
| C25 | C24 | C22 | C21 | 147.0° | 143.8° |
| C25 | C24 | C22 | N27 | 28.6° | 27.7° |
| C24 | C25 | C26 | N27 | 24.8° | 24.0° |
| C25 | C24 | C22 | H27 | 89.5° | 91.1° |
| C25 | C24 | H28 | H29 | 122.5° | 122.6° |
| C24 | C25 | H30 | H31 | 122.2° | 122.2° |
| C24 | C25 | C26 | H32 | 94.2° | 94.5° |
| C24 | C25 | C26 | H33 | 143.9° | 142.5° |
| C22 | C24 | C25 | C26 | 2.2° | 2.4° |
| C24 | C22 | C21 | N27 | 115.5° | 113.9° |
| C24 | C22 | C21 | H27 | 123.4° | 125.6° |
| C24 | C22 | N27 | H27 | 117.5° | 119.2° |
| C24 | C22 | C21 | N20 | 163.7° | 171.9° |
| C24 | C22 | N27 | C26 | 45.2° | 44.1° |
| C24 | C22 | N27 | C28 | 168.9° | 168.6° |
| C24 | C22 | C21 | H25 | 43.5° | 68.8° |
| C24 | C22 | C21 | H26 | 76.0° | 52.6° |
| C22 | C24 | H28 | H29 | 122.5° | 122.6° |
| C22 | C24 | C25 | H30 | 117.0° | 116.5° |
| C22 | C24 | C25 | H31 | 121.5° | 121.3° |
| C25 | C26 | N27 | C22 | 43.3° | 42.1° |
| C25 | C26 | N27 | H32 | 119.0° | 118.5° |
| C25 | C26 | N27 | H33 | 119.0° | 118.5° |
| C25 | C26 | N27 | C28 | 164.2° | 162.3° |
| C26 | C25 | C24 | H28 | 117.0° | 121.1° |
| C26 | C25 | C24 | H29 | 121.3° | 116.4° |
| C26 | C25 | H30 | H31 | 122.2° | 122.2° |
| C25 | C26 | H32 | H33 | 122.8° | 122.9° |
| O8 | C7 | C3 | N5 | 40.2° | 26.7° |
| O8 | C7 | C3 | N9 | 179.8° | 179.9° |
| O8 | C7 | N9 | C10 | 0.2° | 0.1° |
| O8 | C7 | C3 | C2 | 79.3° | 93.4° |
| O8 | C7 | C3 | H6 | 162.3° | 146.6° |
| O8 | C7 | N9 | H12 | 179.8° | 180.0° |
| C6 | N5 | C3 | H7 | 120.9° | 124.0° |
| C6 | N5 | C3 | C7 | 68.2° | 86.1° |
| C6 | N5 | C3 | C2 | 171.6° | 153.9° |
| C6 | N5 | C3 | H6 | 53.7° | 33.8° |
| N5 | C6 | H9 | H10 | 120.0° | 120.0° |
| N5 | C6 | H9 | H11 | 120.0° | 120.0° |
| N5 | C6 | H10 | H11 | 120.0° | 120.0° |
| C13 | C14 | C15 | H17 | 120.2° | 120.0° |
| C13 | C14 | C15 | H18 | 120.2° | 120.0° |
| C14 | C13 | C12 | H15 | 120.2° | 120.0° |
| C14 | C13 | C12 | H16 | 120.2° | 119.9° |
| C14 | C13 | C12 | C10 | 175.3° | 180.0° |
| C14 | C13 | C12 | C17 | 59.3° | 60.0° |
| C13 | C14 | C15 | C16 | 55.7° | 60.0° |
| C14 | C13 | C12 | H14 | 57.7° | 60.1° |
| C14 | C13 | H15 | H16 | 119.5° | 120.0° |
| C13 | C14 | H17 | H18 | 119.4° | 120.0° |
| C13 | C14 | C15 | H19 | 176.0° | 180.0° |
| C13 | C14 | C15 | H20 | 64.5° | 60.0° |
| C15 | C14 | C13 | C12 | 58.1° | 60.0° |
| C14 | C15 | C16 | H19 | 120.2° | 120.0° |
| C14 | C15 | C16 | H20 | 120.2° | 120.0° |
| C14 | C15 | C16 | C17 | 54.9° | 59.9° |
| C15 | C14 | C13 | H15 | 62.1° | 180.0° |
| C15 | C14 | C13 | H16 | 178.3° | 60.0° |
| C15 | C14 | H17 | H18 | 119.5° | 120.0° |
| C14 | C15 | H19 | H20 | 119.2° | 120.0° |
| C14 | C15 | C16 | H21 | 65.3° | 60.0° |
| C14 | C15 | C16 | H22 | 175.1° | 180.0° |
| C13 | C12 | C10 | C17 | 123.3° | 120.0° |
| C13 | C12 | C10 | H14 | 117.7° | 120.0° |
| C13 | C12 | C17 | H14 | 117.0° | 120.0° |
| C13 | C12 | C10 | N9 | 54.9° | 178.6° |
| C13 | C12 | C10 | C18 | 176.5° | 58.5° |
| C13 | C12 | C17 | C16 | 58.5° | 60.0° |
| C13 | C12 | C10 | H13 | 64.3° | 61.4° |
| C12 | C13 | H15 | H16 | 119.5° | 120.0° |
| C12 | C13 | C14 | H17 | 62.1° | 60.0° |
| C12 | C13 | C14 | H18 | 178.3° | 180.0° |
| C13 | C12 | C17 | H23 | 61.7° | 60.0° |
| C13 | C12 | C17 | H24 | 178.7° | 180.0° |
| C21 | C22 | N27 | H27 | 120.7° | 120.4° |
| C22 | C21 | N20 | H25 | 120.3° | 119.3° |
| C22 | C21 | N20 | H26 | 120.3° | 119.4° |
| C21 | C22 | N27 | C26 | 166.9° | 164.4° |
| C21 | C22 | N27 | C28 | 69.4° | 71.0° |
| C22 | C21 | N20 | C18 | 151.7° | 130.0° |
| C22 | C21 | N20 | C29 | 30.6° | 50.3° |
| C22 | C21 | H25 | H26 | 119.1° | 121.5° |
| C21 | C22 | C24 | H28 | 27.9° | 97.5° |
| C21 | C22 | C24 | H29 | 93.9° | 25.0° |
| N27 | C22 | C21 | N20 | 48.3° | 58.0° |
| C22 | N27 | C26 | C28 | 120.9° | 120.1° |
| C22 | N27 | C28 | C29 | 64.5° | 66.4° |
| N27 | C22 | C21 | H25 | 72.0° | 177.2° |
| N27 | C22 | C21 | H26 | 168.5° | 61.3° |
| N27 | C22 | C24 | H28 | 90.6° | 146.4° |
| N27 | C22 | C24 | H29 | 147.7° | 91.0° |
| C22 | N27 | C26 | H32 | 75.7° | 76.4° |
| C22 | N27 | C26 | H33 | 162.3° | 160.6° |
| C22 | N27 | C28 | H35 | 55.3° | 53.4° |
| C22 | N27 | C28 | H36 | 175.6° | 174.3° |
| N5 | C3 | C7 | C2 | 119.5° | 120.0° |
| N5 | C3 | C7 | H6 | 122.1° | 120.0° |
| N5 | C3 | C7 | N9 | 140.0° | 153.5° |
| N5 | C3 | C2 | H6 | 118.4° | 120.0° |
| N5 | C3 | C2 | C1 | 168.8° | 65.0° |
| N5 | C3 | C2 | H4 | 48.3° | 175.0° |
| N5 | C3 | C2 | H5 | 70.7° | 55.0° |
| C3 | N5 | C6 | H9 | 180.0° | 55.4° |
| C3 | N5 | C6 | H10 | 60.0° | 64.6° |
| C3 | N5 | C6 | H11 | 60.0° | 175.4° |
| C21 | N20 | C18 | C10 | 1.4° | 5.5° |
| C21 | N20 | C18 | C29 | 177.8° | 179.7° |
| C21 | N20 | C18 | O19 | 179.0° | 174.6° |
| C21 | N20 | C29 | C28 | 27.4° | 47.2° |
| C21 | N20 | C29 | C31 | 94.4° | 73.0° |
| N20 | C21 | H25 | H26 | 119.1° | 121.3° |
| N20 | C21 | C22 | H27 | 72.8° | 62.5° |
| C21 | N20 | C29 | H37 | 147.5° | 167.3° |
| C3 | C7 | N9 | C10 | 179.6° | 180.0° |
| C7 | C3 | C2 | H6 | 118.6° | 120.0° |
| C7 | C3 | C2 | C1 | 68.3° | 175.0° |
| C7 | C3 | C2 | H4 | 171.2° | 55.0° |
| C7 | C3 | C2 | H5 | 52.2° | 65.0° |
| C7 | C3 | N5 | H7 | 170.9° | 149.9° |
| C3 | C7 | N9 | H12 | 0.4° | 0.1° |
| C7 | N9 | C10 | C12 | 111.2° | 85.0° |
| C7 | N9 | C10 | H12 | 180.0° | 179.9° |
| C7 | N9 | C10 | C18 | 125.2° | 155.0° |
| N9 | C7 | C3 | C2 | 100.5° | 86.5° |
| N9 | C7 | C3 | H6 | 17.9° | 33.5° |
| C7 | N9 | C10 | H13 | 7.5° | 35.1° |
| C26 | N27 | C28 | C29 | 179.1° | 176.7° |
| C26 | N27 | C22 | H27 | 72.3° | 75.1° |
| N27 | C26 | C25 | H30 | 144.1° | 142.9° |
| N27 | C26 | C25 | H31 | 94.4° | 94.9° |
| N27 | C26 | H32 | H33 | 122.8° | 123.0° |
| C26 | N27 | C28 | H35 | 61.0° | 63.6° |
| C26 | N27 | C28 | H36 | 59.3° | 57.3° |
| C10 | C12 | C17 | H14 | 119.0° | 120.0° |
| C12 | C10 | N9 | C18 | 123.6° | 120.0° |
| C12 | C10 | N9 | H13 | 118.7° | 120.0° |
| C12 | C10 | C18 | H13 | 118.9° | 120.0° |
| C12 | C10 | C18 | N20 | 76.4° | 92.4° |
| C12 | C10 | C18 | O19 | 104.1° | 87.6° |
| C10 | C12 | C17 | C16 | 177.5° | 180.0° |
| C12 | C10 | N9 | H12 | 68.8° | 95.0° |
| C10 | C12 | C13 | H15 | 64.5° | 60.0° |
| C10 | C12 | C13 | H16 | 55.1° | 60.0° |
| C10 | C12 | C17 | H23 | 62.3° | 60.0° |
| C10 | C12 | C17 | H24 | 57.3° | 60.0° |
| C17 | C12 | C10 | N9 | 68.3° | 61.4° |
| C17 | C12 | C10 | C18 | 53.2° | 178.5° |
| C12 | C17 | C16 | C15 | 56.7° | 60.0° |
| C12 | C17 | C16 | H23 | 120.2° | 120.0° |
| C12 | C17 | C16 | H24 | 120.2° | 120.0° |
| C17 | C12 | C10 | H13 | 172.4° | 58.5° |
| C17 | C12 | C13 | H15 | 60.9° | 180.0° |
| C17 | C12 | C13 | H16 | 179.5° | 60.0° |
| C12 | C17 | C16 | H21 | 63.6° | 60.0° |
| C12 | C17 | C16 | H22 | 176.9° | 179.9° |
| C12 | C17 | H23 | H24 | 119.4° | 120.0° |
| N9 | C10 | C18 | H13 | 118.1° | 120.0° |
| N9 | C10 | C18 | N20 | 160.6° | 147.5° |
| N9 | C10 | C18 | O19 | 18.9° | 32.4° |
| N9 | C10 | C12 | H14 | 172.6° | 58.6° |
| C10 | C18 | N20 | O19 | 179.5° | 180.0° |
| C10 | C18 | N20 | C29 | 179.3° | 174.8° |
| C18 | C10 | N9 | H12 | 54.9° | 25.0° |
| C18 | C10 | C12 | H14 | 65.8° | 61.4° |
| C3 | C2 | C1 | H4 | 120.5° | 120.1° |
| C3 | C2 | C1 | H5 | 120.4° | 120.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.1° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | H4 | H5 | 118.5° | 120.0° |
| C2 | C3 | N5 | H7 | 50.7° | 29.9° |
| C15 | C16 | C17 | H21 | 120.2° | 120.0° |
| C15 | C16 | C17 | H22 | 120.2° | 120.1° |
| C16 | C15 | C14 | H17 | 64.5° | 60.0° |
| C16 | C15 | C14 | H18 | 175.9° | 180.0° |
| C16 | C15 | H19 | H20 | 119.3° | 120.0° |
| C15 | C16 | H21 | H22 | 119.4° | 120.0° |
| C15 | C16 | C17 | H23 | 63.6° | 60.1° |
| C15 | C16 | C17 | H24 | 176.8° | 180.0° |
| N27 | C28 | C29 | N20 | 41.9° | 51.7° |
| N27 | C28 | C29 | H35 | 119.8° | 119.6° |
| N27 | C28 | C29 | H36 | 119.9° | 119.4° |
| N27 | C28 | C29 | C31 | 80.2° | 68.4° |
| C28 | N27 | C22 | H27 | 51.4° | 49.4° |
| C28 | N27 | C26 | H32 | 45.2° | 43.8° |
| C28 | N27 | C26 | H33 | 76.7° | 79.3° |
| N27 | C28 | H35 | H36 | 120.5° | 120.8° |
| N27 | C28 | C29 | H37 | 162.6° | 171.7° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | C2 | H4 | H5 | 118.6° | 120.0° |
| C1 | C2 | C3 | H6 | 50.4° | 55.1° |
| C18 | N20 | C29 | C28 | 154.8° | 133.1° |
| C18 | N20 | C29 | C31 | 83.4° | 106.7° |
| N20 | C18 | C10 | H13 | 42.5° | 27.6° |
| C18 | N20 | C21 | H25 | 88.0° | 10.8° |
| C18 | N20 | C21 | H26 | 31.4° | 110.6° |
| C18 | N20 | C29 | H37 | 34.7° | 13.0° |
| C29 | N20 | C18 | O19 | 1.2° | 5.1° |
| N20 | C29 | C28 | C31 | 122.1° | 120.1° |
| N20 | C29 | C28 | H37 | 120.7° | 120.0° |
| N20 | C29 | C31 | H37 | 118.3° | 119.8° |
| N20 | C29 | C31 | O32 | 20.6° | 0.0° |
| N20 | C29 | C31 | N33 | 158.8° | 180.0° |
| C29 | N20 | C21 | H25 | 89.7° | 169.5° |
| C29 | N20 | C21 | H26 | 150.9° | 69.1° |
| N20 | C29 | C28 | H35 | 77.9° | 68.0° |
| N20 | C29 | C28 | H36 | 161.8° | 171.1° |
| O19 | C18 | C10 | H13 | 137.0° | 152.4° |
| C16 | C17 | C12 | H14 | 58.5° | 60.0° |
| C17 | C16 | C15 | H19 | 175.2° | 180.0° |
| C17 | C16 | C15 | H20 | 65.3° | 60.0° |
| C17 | C16 | H21 | H22 | 119.3° | 120.0° |
| C16 | C17 | H23 | H24 | 119.4° | 119.9° |
| C28 | C29 | C31 | H37 | 116.8° | 120.0° |
| C28 | C29 | C31 | O32 | 104.3° | 120.3° |
| C28 | C29 | C31 | N33 | 76.4° | 59.7° |
| C29 | C28 | H35 | H36 | 120.5° | 120.9° |
| C29 | C31 | O32 | N33 | 179.4° | 180.0° |
| C29 | C31 | N33 | C34 | 179.3° | 180.0° |
| C31 | C29 | C28 | H35 | 160.0° | 171.9° |
| C31 | C29 | C28 | H36 | 39.7° | 51.0° |
| C29 | C31 | N33 | H38 | 0.7° | 0.0° |
| O32 | C31 | N33 | C34 | 1.3° | 0.0° |
| O32 | C31 | C29 | H37 | 138.9° | 119.8° |
| O32 | C31 | N33 | H38 | 178.7° | 180.0° |
| C31 | N33 | C34 | H38 | 180.0° | 180.0° |
| C31 | N33 | C34 | C35 | 87.2° | 154.8° |
| C31 | N33 | C34 | C43 | 153.3° | 85.0° |
| N33 | C31 | C29 | H37 | 40.5° | 60.2° |
| C31 | N33 | C34 | H39 | 31.4° | 34.9° |
| N33 | C34 | C35 | C43 | 118.6° | 120.1° |
| N33 | C34 | C35 | H39 | 119.3° | 119.9° |
| N33 | C34 | C35 | C36 | 157.6° | 168.2° |
| N33 | C34 | C43 | H39 | 122.4° | 119.9° |
| N33 | C34 | C43 | C42 | 55.5° | 42.2° |
| N33 | C34 | C43 | C38 | 126.1° | 137.8° |
| N33 | C34 | C35 | H40 | 37.4° | 48.6° |
| N33 | C34 | C35 | H41 | 82.3° | 72.0° |
| C34 | C35 | C36 | H40 | 120.2° | 119.7° |
| C34 | C35 | C36 | H41 | 120.2° | 119.8° |
| C35 | C34 | C43 | H39 | 121.9° | 120.0° |
| C34 | C35 | C36 | O37 | 60.2° | 64.7° |
| C35 | C34 | C43 | C42 | 171.2° | 162.3° |
| C35 | C34 | C43 | C38 | 10.5° | 17.7° |
| C35 | C34 | N33 | H38 | 92.8° | 25.2° |
| C34 | C35 | H40 | H41 | 119.4° | 120.7° |
| C34 | C35 | C36 | H42 | 179.9° | 175.5° |
| C34 | C35 | C36 | H43 | 59.7° | 55.0° |
| C36 | C35 | C34 | C43 | 38.9° | 48.1° |
| C35 | C36 | O37 | H42 | 119.9° | 119.8° |
| C35 | C36 | O37 | H43 | 119.9° | 119.7° |
| C35 | C36 | O37 | C38 | 53.1° | 49.1° |
| C36 | C35 | C34 | H39 | 83.2° | 71.9° |
| C36 | C35 | H40 | H41 | 119.4° | 120.5° |
| C35 | C36 | H42 | H43 | 120.4° | 120.5° |
| C34 | C43 | C42 | C38 | 178.4° | 180.0° |
| C34 | C43 | C42 | C41 | 179.9° | 179.8° |
| C34 | C43 | C38 | O37 | 1.3° | 0.3° |
| C34 | C43 | C38 | C39 | 180.0° | 179.7° |
| C43 | C34 | N33 | H38 | 26.7° | 95.0° |
| C43 | C34 | C35 | H40 | 81.3° | 71.5° |
| C43 | C34 | C35 | H41 | 159.1° | 167.9° |
| C34 | C43 | C42 | H47 | 0.1° | 0.2° |
| C36 | O37 | C38 | C43 | 24.1° | 17.1° |
| C36 | O37 | C38 | C39 | 157.2° | 162.9° |
| O37 | C36 | C35 | H40 | 60.0° | 55.0° |
| O37 | C36 | C35 | H41 | 179.6° | 175.5° |
| O37 | C36 | H42 | H43 | 120.3° | 120.6° |
| C43 | C42 | C41 | H47 | 180.0° | 180.0° |
| C42 | C43 | C38 | O37 | 179.6° | 179.7° |
| C42 | C43 | C38 | C39 | 1.7° | 0.3° |
| C43 | C42 | C41 | C40 | 0.6° | 0.0° |
| C42 | C43 | C34 | H39 | 66.9° | 77.7° |
| C43 | C42 | C41 | H46 | 179.4° | 180.0° |
| C38 | C43 | C42 | C41 | 1.5° | 0.2° |
| C43 | C38 | O37 | C39 | 178.7° | 180.0° |
| C43 | C38 | C39 | C40 | 0.8° | 0.2° |
| C38 | C43 | C34 | H39 | 111.5° | 102.3° |
| C43 | C38 | C39 | H44 | 179.2° | 179.8° |
| C38 | C43 | C42 | H47 | 178.5° | 179.8° |
| C42 | C41 | C40 | H46 | 180.0° | 179.9° |
| C42 | C41 | C40 | C39 | 0.3° | 0.1° |
| C42 | C41 | C40 | H45 | 179.7° | 179.9° |
| O37 | C38 | C39 | C40 | 179.5° | 179.8° |
| C38 | O37 | C36 | H42 | 173.0° | 168.9° |
| C38 | O37 | C36 | H43 | 66.8° | 70.5° |
| O37 | C38 | C39 | H44 | 0.5° | 0.2° |
| C38 | C39 | C40 | C41 | 0.2° | 0.0° |
| C38 | C39 | C40 | H44 | 180.0° | 180.0° |
| C38 | C39 | C40 | H45 | 179.8° | 180.0° |
| C41 | C40 | C39 | H45 | 180.0° | 180.0° |
| C41 | C40 | C39 | H44 | 179.8° | 180.0° |
| C40 | C41 | C42 | H47 | 179.5° | 180.0° |
| C39 | C40 | C41 | H46 | 179.7° | 179.9° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H1 | C1 | C2 | H4 | 59.5° | 59.9° |
| H1 | C1 | C2 | H5 | 59.5° | 60.0° |
| H2 | C1 | C2 | H4 | 179.5° | 60.0° |
| H2 | C1 | C2 | H5 | 60.4° | 179.9° |
| H3 | C1 | C2 | H4 | 60.5° | 179.9° |
| H3 | C1 | C2 | H5 | 179.6° | 60.0° |
| H4 | C2 | C3 | H6 | 70.1° | 65.0° |
| H5 | C2 | C3 | H6 | 170.8° | 175.0° |
| H6 | C3 | N5 | H7 | 67.2° | 90.1° |
| H7 | N5 | C6 | H9 | 59.1° | 68.6° |
| H7 | N5 | C6 | H10 | 60.8° | 171.5° |
| H7 | N5 | C6 | H11 | 179.1° | 51.5° |
| H9 | C6 | H10 | H11 | 120.0° | 120.0° |
| H12 | N9 | C10 | H13 | 172.5° | 145.0° |
| H13 | C10 | C12 | H14 | 53.3° | 178.6° |
| H14 | C12 | C13 | H15 | 177.9° | 60.0° |
| H14 | C12 | C13 | H16 | 62.5° | 180.0° |
| H14 | C12 | C17 | H23 | 178.7° | 180.0° |
| H14 | C12 | C17 | H24 | 61.7° | 60.0° |
| H15 | C13 | C14 | H17 | 177.8° | 60.0° |
| H15 | C13 | C14 | H18 | 58.1° | 60.0° |
| H16 | C13 | C14 | H17 | 58.1° | 180.0° |
| H16 | C13 | C14 | H18 | 61.6° | 60.1° |
| H17 | C14 | C15 | H19 | 55.8° | 60.0° |
| H17 | C14 | C15 | H20 | 175.3° | 180.0° |
| H18 | C14 | C15 | H19 | 63.9° | 59.9° |
| H18 | C14 | C15 | H20 | 55.6° | 60.0° |
| H19 | C15 | C16 | H21 | 55.0° | 60.0° |
| H19 | C15 | C16 | H22 | 64.6° | 59.9° |
| H20 | C15 | C16 | H21 | 174.5° | 180.0° |
| H20 | C15 | C16 | H22 | 54.9° | 60.1° |
| H21 | C16 | C17 | H23 | 176.2° | 180.0° |
| H21 | C16 | C17 | H24 | 56.6° | 60.0° |
| H22 | C16 | C17 | H23 | 56.6° | 60.0° |
| H22 | C16 | C17 | H24 | 62.9° | 60.0° |
| H25 | C21 | C22 | H27 | 166.9° | 56.7° |
| H26 | C21 | C22 | H27 | 47.5° | 178.2° |
| H27 | C22 | C24 | H28 | 151.4° | 27.6° |
| H27 | C22 | C24 | H29 | 29.7° | 150.2° |
| H28 | C24 | C25 | H30 | 123.8° | 2.2° |
| H28 | C24 | C25 | H31 | 2.3° | 120.0° |
| H29 | C24 | C25 | H30 | 2.1° | 124.8° |
| H29 | C24 | C25 | H31 | 119.4° | 2.5° |
| H30 | C25 | C26 | H32 | 25.1° | 24.4° |
| H30 | C25 | C26 | H33 | 96.9° | 98.6° |
| H31 | C25 | C26 | H32 | 146.6° | 146.6° |
| H31 | C25 | C26 | H33 | 24.6° | 23.6° |
| H35 | C28 | C29 | H37 | 42.8° | 52.0° |
| H36 | C28 | C29 | H37 | 77.5° | 68.9° |
| H38 | N33 | C34 | H39 | 148.7° | 145.1° |
| H39 | C34 | C35 | H40 | 156.6° | 168.5° |
| H39 | C34 | C35 | H41 | 37.0° | 47.8° |
| H40 | C35 | C36 | H42 | 59.9° | 64.8° |
| H40 | C35 | C36 | H43 | 179.9° | 174.7° |
| H41 | C35 | C36 | H42 | 59.8° | 55.7° |
| H41 | C35 | C36 | H43 | 60.5° | 64.8° |
| H44 | C39 | C40 | H45 | 0.2° | 0.0° |
| H45 | C40 | C41 | H46 | 0.3° | 0.1° |
| H46 | C41 | C42 | H47 | 0.5° | 0.1° |
