HHE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C30 | CL | sing | 1.74Å | 1.69Å | |
| C25 | N20 | sing | 1.40Å | 1.40Å | |
| C21 | N20 | sing | 1.46Å | 1.47Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| N20 | C19 | sing | 1.34Å | 1.35Å | |
| C22 | C24 | sing | 1.53Å | 1.55Å | |
| C22 | N17 | sing | 1.47Å | 1.52Å | |
| C19 | O31 | doub | 1.21Å | 1.20Å | |
| C19 | C18 | sing | 1.50Å | 1.51Å | |
| N17 | C18 | sing | 1.47Å | 1.47Å | |
| N17 | C15 | sing | 1.47Å | 1.49Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| N16 | C14 | sing | 1.47Å | 1.48Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| O38 | C13 | sing | 1.43Å | 1.45Å | |
| C13 | C33 | sing | 1.53Å | 1.55Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C34 | C37 | sing | 1.53Å | 1.54Å | |
| C34 | C35 | sing | 1.51Å | 1.52Å | |
| C37 | C39 | sing | 1.53Å | 1.55Å | |
| C35 | N12 | sing | 1.35Å | 1.35Å | |
| C35 | O36 | doub | 1.21Å | 1.20Å | |
| N12 | C1 | sing | 1.46Å | 1.47Å | |
| C2 | C9 | sing | 1.53Å | 1.58Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.55Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | C10 | sing | 1.53Å | 1.56Å | |
| C3 | C7 | sing | 1.53Å | 1.57Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C10 | sing | 1.53Å | 1.55Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C6 | O11 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| O11 | H15 | sing | 0.97Å | 0.95Å | |
| N12 | H16 | sing | 0.97Å | 1.00Å | |
| C13 | 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 | |
| N16 | H21 | sing | 1.01Å | 1.00Å | |
| N16 | H22 | sing | 1.01Å | 1.00Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.08Å | 1.08Å | |
| C27 | H36 | sing | 1.08Å | 1.08Å | |
| C28 | H37 | sing | 1.08Å | 1.08Å | |
| C29 | H38 | sing | 1.08Å | 1.08Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C33 | H40 | sing | 1.09Å | 1.10Å | |
| C34 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| O38 | H44 | sing | 0.97Å | 0.95Å | |
| C39 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| C39 | H47 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C28 | C29 | 119.5° | 120.2° |
| C28 | C27 | C26 | 122.0° | 120.0° |
| C28 | C27 | H36 | 119.0° | 119.9° |
| C27 | C28 | H37 | 120.3° | 119.9° |
| C28 | C29 | C30 | 117.4° | 120.0° |
| C29 | C28 | H37 | 120.2° | 119.9° |
| C28 | C29 | H38 | 121.3° | 120.0° |
| C27 | C26 | C25 | 118.6° | 120.0° |
| C27 | C26 | H35 | 120.7° | 120.0° |
| C26 | C27 | H36 | 119.0° | 120.0° |
| C29 | C30 | C25 | 123.3° | 119.9° |
| C29 | C30 | CL | 116.0° | 120.0° |
| C30 | C29 | H38 | 121.3° | 120.0° |
| C26 | C25 | C30 | 119.1° | 119.8° |
| C26 | C25 | N20 | 117.4° | 120.1° |
| C25 | C26 | H35 | 120.7° | 120.0° |
| C25 | C30 | CL | 120.6° | 120.0° |
| C30 | C25 | N20 | 123.5° | 120.1° |
| C25 | N20 | C21 | 116.5° | 118.5° |
| C25 | N20 | C19 | 121.1° | 118.6° |
| N20 | C21 | C22 | 111.6° | 110.1° |
| C21 | N20 | C19 | 122.4° | 122.9° |
| N20 | C21 | H27 | 108.9° | 109.4° |
| N20 | C21 | H28 | 108.9° | 109.4° |
| C21 | C22 | C23 | 105.3° | 109.6° |
| C21 | C22 | C24 | 108.2° | 109.6° |
| C21 | C22 | N17 | 110.9° | 108.7° |
| C22 | C21 | H27 | 108.9° | 109.4° |
| C22 | C21 | H28 | 108.9° | 109.4° |
| C23 | C22 | C24 | 108.5° | 109.6° |
| C23 | C22 | N17 | 111.8° | 109.7° |
| C22 | C23 | H29 | 109.5° | 109.4° |
| C22 | C23 | H30 | 109.5° | 109.5° |
| C22 | C23 | H31 | 109.4° | 109.5° |
| N20 | C19 | O31 | 118.9° | 118.6° |
| N20 | C19 | C18 | 123.3° | 122.8° |
| C24 | C22 | N17 | 111.9° | 109.6° |
| C22 | C24 | H32 | 109.5° | 109.5° |
| C22 | C24 | H33 | 109.5° | 109.5° |
| C22 | C24 | H34 | 109.5° | 109.5° |
| C22 | N17 | C18 | 109.9° | 110.2° |
| C22 | N17 | C15 | 116.4° | 111.0° |
| O31 | C19 | C18 | 117.7° | 118.6° |
| C19 | C18 | N17 | 112.4° | 110.0° |
| C19 | C18 | H25 | 108.8° | 109.4° |
| C19 | C18 | H26 | 108.8° | 109.3° |
| C18 | N17 | C15 | 110.7° | 111.0° |
| N17 | C18 | H25 | 108.7° | 109.4° |
| N17 | C18 | H26 | 108.7° | 109.4° |
| N17 | C15 | C14 | 111.0° | 109.5° |
| N17 | C15 | H19 | 109.1° | 109.4° |
| N17 | C15 | H20 | 109.1° | 109.5° |
| C15 | C14 | N16 | 109.2° | 109.5° |
| C15 | C14 | C13 | 114.4° | 109.5° |
| C15 | C14 | H18 | 108.6° | 109.4° |
| C14 | C15 | H19 | 109.1° | 109.4° |
| C14 | C15 | H20 | 109.1° | 109.5° |
| N16 | C14 | C13 | 106.7° | 109.5° |
| N16 | C14 | H18 | 109.3° | 109.5° |
| C14 | N16 | H21 | 109.5° | 111.0° |
| C14 | N16 | H22 | 109.5° | 111.0° |
| C14 | C13 | O38 | 110.8° | 109.4° |
| C14 | C13 | C33 | 108.5° | 109.5° |
| C14 | C13 | H17 | 108.1° | 109.5° |
| C13 | C14 | H18 | 108.6° | 109.5° |
| O38 | C13 | C33 | 112.1° | 109.5° |
| O38 | C13 | H17 | 109.2° | 109.5° |
| C13 | O38 | H44 | 109.5° | 114.0° |
| C13 | C33 | C34 | 113.5° | 109.5° |
| C33 | C13 | H17 | 108.0° | 109.5° |
| C13 | C33 | H39 | 108.5° | 109.5° |
| C13 | C33 | H40 | 108.5° | 109.5° |
| C33 | C34 | C37 | 108.7° | 109.5° |
| C33 | C34 | C35 | 115.4° | 109.5° |
| C34 | C33 | H39 | 108.5° | 109.5° |
| C34 | C33 | H40 | 108.5° | 109.5° |
| C33 | C34 | H41 | 107.6° | 109.5° |
| C37 | C34 | C35 | 109.5° | 109.5° |
| C34 | C37 | C39 | 109.9° | 109.5° |
| C37 | C34 | H41 | 107.6° | 109.5° |
| C34 | C37 | H42 | 109.4° | 109.5° |
| C34 | C37 | H43 | 109.4° | 109.5° |
| C34 | C35 | N12 | 122.1° | 120.0° |
| C34 | C35 | O36 | 118.3° | 120.0° |
| C35 | C34 | H41 | 107.8° | 109.5° |
| C39 | C37 | H42 | 109.4° | 109.4° |
| C39 | C37 | H43 | 109.3° | 109.5° |
| C37 | C39 | H45 | 109.5° | 109.5° |
| C37 | C39 | H46 | 109.5° | 109.5° |
| C37 | C39 | H47 | 109.4° | 109.4° |
| N12 | C35 | O36 | 119.5° | 120.0° |
| C35 | N12 | C1 | 122.7° | 120.0° |
| C35 | N12 | H16 | 118.6° | 120.0° |
| N12 | C1 | C2 | 108.7° | 109.5° |
| N12 | C1 | C3 | 106.5° | 109.5° |
| N12 | C1 | H1 | 112.0° | 109.5° |
| C1 | N12 | H16 | 118.7° | 120.0° |
| C9 | C2 | C1 | 112.8° | 109.5° |
| C9 | C2 | C4 | 107.5° | 109.4° |
| C2 | C9 | C8 | 111.1° | 109.4° |
| C9 | C2 | H2 | 108.8° | 109.5° |
| C2 | C9 | H11 | 109.1° | 109.5° |
| C2 | C9 | H12 | 109.1° | 109.4° |
| C1 | C2 | C4 | 109.0° | 109.5° |
| C2 | C1 | C3 | 107.2° | 109.4° |
| C2 | C1 | H1 | 111.0° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C2 | C4 | C6 | 109.8° | 109.5° |
| C4 | C2 | H2 | 109.4° | 109.4° |
| C2 | C4 | H4 | 109.4° | 109.5° |
| C2 | C4 | H5 | 109.4° | 109.5° |
| C9 | C8 | C7 | 105.1° | 109.5° |
| C9 | C8 | C10 | 108.5° | 109.5° |
| C9 | C8 | H10 | 111.2° | 109.4° |
| C8 | C9 | H11 | 109.0° | 109.5° |
| C8 | C9 | H12 | 109.1° | 109.5° |
| C1 | C3 | C7 | 110.8° | 109.5° |
| C1 | C3 | C5 | 110.1° | 109.5° |
| C3 | C1 | H1 | 111.2° | 109.5° |
| C1 | C3 | H3 | 109.0° | 109.5° |
| C4 | C6 | C10 | 108.4° | 109.5° |
| C4 | C6 | C5 | 110.1° | 109.5° |
| C4 | C6 | O11 | 109.3° | 109.5° |
| C6 | C4 | H4 | 109.4° | 109.5° |
| C6 | C4 | H5 | 109.4° | 109.5° |
| C7 | C8 | C10 | 109.7° | 109.5° |
| C8 | C7 | C3 | 111.2° | 109.5° |
| C8 | C7 | H8 | 109.0° | 109.5° |
| C8 | C7 | H9 | 109.1° | 109.5° |
| C7 | C8 | H10 | 111.2° | 109.5° |
| C8 | C10 | C6 | 110.7° | 109.4° |
| C10 | C8 | H10 | 111.0° | 109.5° |
| C8 | C10 | H13 | 109.1° | 109.5° |
| C8 | C10 | H14 | 109.1° | 109.5° |
| C7 | C3 | C5 | 109.6° | 109.5° |
| C7 | C3 | H3 | 108.4° | 109.5° |
| C3 | C7 | H8 | 109.0° | 109.5° |
| C3 | C7 | H9 | 109.0° | 109.5° |
| C3 | C5 | C6 | 109.1° | 109.5° |
| C5 | C3 | H3 | 108.9° | 109.5° |
| C3 | C5 | H6 | 109.5° | 109.5° |
| C3 | C5 | H7 | 109.6° | 109.5° |
| C10 | C6 | C5 | 109.2° | 109.5° |
| C10 | C6 | O11 | 114.6° | 109.5° |
| C6 | C10 | H13 | 109.2° | 109.5° |
| C6 | C10 | H14 | 109.2° | 109.5° |
| C5 | C6 | O11 | 105.2° | 109.4° |
| C6 | C5 | H6 | 109.6° | 109.5° |
| C6 | C5 | H7 | 109.6° | 109.5° |
| C6 | O11 | H15 | 109.5° | 114.0° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| H8 | C7 | H9 | 109.5° | 109.4° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.4° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H21 | N16 | H22 | 109.5° | 111.0° |
| H25 | C18 | H26 | 109.5° | 109.4° |
| H27 | C21 | H28 | 109.5° | 109.2° |
| H29 | C23 | H30 | 109.5° | 109.4° |
| H29 | C23 | H31 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.4° | 109.5° |
| H32 | C24 | H33 | 109.4° | 109.5° |
| H32 | C24 | H34 | 109.4° | 109.4° |
| H33 | C24 | H34 | 109.5° | 109.5° |
| H39 | C33 | H40 | 109.4° | 109.5° |
| H42 | C37 | H43 | 109.5° | 109.5° |
| H45 | C39 | H46 | 109.4° | 109.5° |
| H45 | C39 | H47 | 109.5° | 109.4° |
| H46 | C39 | H47 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C28 | C29 | H37 | 180.0° | 179.9° |
| C28 | C27 | C26 | H36 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.4° | 0.4° |
| C28 | C27 | C26 | C25 | 2.3° | 0.1° |
| C28 | C27 | C26 | H35 | 177.8° | 180.0° |
| C27 | C28 | C29 | H38 | 179.6° | 179.9° |
| C29 | C28 | C27 | C26 | 1.5° | 0.0° |
| C28 | C29 | C30 | H38 | 180.0° | 179.7° |
| C28 | C29 | C30 | C25 | 1.6° | 0.6° |
| C28 | C29 | C30 | CL | 178.9° | 179.9° |
| C29 | C28 | C27 | H36 | 178.5° | 179.9° |
| C27 | C26 | C25 | H35 | 180.0° | 179.9° |
| C27 | C26 | C25 | C30 | 1.0° | 0.2° |
| C27 | C26 | C25 | N20 | 177.2° | 180.0° |
| C26 | C27 | C28 | H37 | 178.5° | 180.0° |
| C29 | C30 | C25 | C26 | 0.9° | 0.6° |
| C29 | C30 | C25 | CL | 177.1° | 179.4° |
| C29 | C30 | C25 | N20 | 179.0° | 179.7° |
| C30 | C29 | C28 | H37 | 179.6° | 179.7° |
| C26 | C25 | C30 | N20 | 178.1° | 179.8° |
| C26 | C25 | C30 | CL | 178.0° | 180.0° |
| C26 | C25 | N20 | C21 | 78.5° | 90.1° |
| C26 | C25 | N20 | C19 | 99.5° | 90.0° |
| C25 | C26 | C27 | H36 | 177.8° | 180.0° |
| C30 | C25 | N20 | C21 | 99.6° | 89.7° |
| C30 | C25 | N20 | C19 | 82.4° | 90.2° |
| C30 | C25 | C26 | H35 | 179.0° | 179.7° |
| C25 | C30 | C29 | H38 | 178.4° | 179.7° |
| CL | C30 | C25 | N20 | 3.8° | 0.2° |
| CL | C30 | C29 | H38 | 1.1° | 0.2° |
| C25 | N20 | C21 | C19 | 178.0° | 179.9° |
| C25 | N20 | C21 | C22 | 166.8° | 161.8° |
| C25 | N20 | C19 | O31 | 1.8° | 1.8° |
| C25 | N20 | C19 | C18 | 179.2° | 178.3° |
| C25 | N20 | C21 | H27 | 46.4° | 41.6° |
| C25 | N20 | C21 | H28 | 72.9° | 78.0° |
| N20 | C25 | C26 | H35 | 2.8° | 0.0° |
| N20 | C21 | C22 | H27 | 120.3° | 120.2° |
| N20 | C21 | C22 | H28 | 120.3° | 120.2° |
| N20 | C21 | C22 | C23 | 166.3° | 170.2° |
| N20 | C21 | C22 | C24 | 78.0° | 69.5° |
| N20 | C21 | C22 | N17 | 45.2° | 50.3° |
| C21 | N20 | C19 | O31 | 179.6° | 178.3° |
| C21 | N20 | C19 | C18 | 1.3° | 1.6° |
| N20 | C21 | H27 | H28 | 119.0° | 119.7° |
| C21 | C22 | C23 | C24 | 115.6° | 120.3° |
| C21 | C22 | C23 | N17 | 120.5° | 119.3° |
| C22 | C21 | N20 | C19 | 15.3° | 18.1° |
| C21 | C22 | C24 | N17 | 122.5° | 119.2° |
| C21 | C22 | N17 | C18 | 62.8° | 69.0° |
| C21 | C22 | N17 | C15 | 170.4° | 167.7° |
| C22 | C21 | H27 | H28 | 119.0° | 119.7° |
| C21 | C22 | C23 | H29 | 180.0° | 60.0° |
| C21 | C22 | C23 | H30 | 60.0° | 180.0° |
| C21 | C22 | C23 | H31 | 60.0° | 60.0° |
| C21 | C22 | C24 | H32 | 180.0° | 60.0° |
| C21 | C22 | C24 | H33 | 60.0° | 180.0° |
| C21 | C22 | C24 | H34 | 60.0° | 60.0° |
| C23 | C22 | C24 | N17 | 123.8° | 120.5° |
| C23 | C22 | N17 | C18 | 179.9° | 171.2° |
| C23 | C22 | N17 | C15 | 53.2° | 47.8° |
| C23 | C22 | C21 | H27 | 73.4° | 69.6° |
| C23 | C22 | C21 | H28 | 45.9° | 50.0° |
| C22 | C23 | H29 | H30 | 120.0° | 119.9° |
| C22 | C23 | H29 | H31 | 120.0° | 120.0° |
| C22 | C23 | H30 | H31 | 120.0° | 120.0° |
| C23 | C22 | C24 | H32 | 66.3° | 60.3° |
| C23 | C22 | C24 | H33 | 173.7° | 59.7° |
| C23 | C22 | C24 | H34 | 53.7° | 179.7° |
| N20 | C19 | O31 | C18 | 179.1° | 180.0° |
| N20 | C19 | C18 | N17 | 17.9° | 17.2° |
| N20 | C19 | C18 | H25 | 138.4° | 103.0° |
| N20 | C19 | C18 | H26 | 102.5° | 137.3° |
| C19 | N20 | C21 | H27 | 135.6° | 138.3° |
| C19 | N20 | C21 | H28 | 105.0° | 102.1° |
| C24 | C22 | N17 | C18 | 58.2° | 50.8° |
| C24 | C22 | N17 | C15 | 68.7° | 72.6° |
| C24 | C22 | C21 | H27 | 42.4° | 50.7° |
| C24 | C22 | C21 | H28 | 161.7° | 170.3° |
| C24 | C22 | C23 | H29 | 64.4° | 179.7° |
| C24 | C22 | C23 | H30 | 55.7° | 59.7° |
| C24 | C22 | C23 | H31 | 175.6° | 60.3° |
| C22 | C24 | H32 | H33 | 120.0° | 120.0° |
| C22 | C24 | H32 | H34 | 120.0° | 120.0° |
| C22 | C24 | H33 | H34 | 120.0° | 120.0° |
| C22 | N17 | C18 | C19 | 47.4° | 50.3° |
| C22 | N17 | C18 | C15 | 130.0° | 123.3° |
| C22 | N17 | C15 | C14 | 161.7° | 171.1° |
| C22 | N17 | C15 | H19 | 78.1° | 51.1° |
| C22 | N17 | C15 | H20 | 41.4° | 69.0° |
| C22 | N17 | C18 | H25 | 167.9° | 69.8° |
| C22 | N17 | C18 | H26 | 73.0° | 170.3° |
| N17 | C22 | C21 | H27 | 165.5° | 170.5° |
| N17 | C22 | C21 | H28 | 75.2° | 69.9° |
| N17 | C22 | C23 | H29 | 59.5° | 59.3° |
| N17 | C22 | C23 | H30 | 179.5° | 60.7° |
| N17 | C22 | C23 | H31 | 60.5° | 179.3° |
| N17 | C22 | C24 | H32 | 57.5° | 179.2° |
| N17 | C22 | C24 | H33 | 62.5° | 60.8° |
| N17 | C22 | C24 | H34 | 177.5° | 59.3° |
| O31 | C19 | C18 | N17 | 163.0° | 162.8° |
| O31 | C19 | C18 | H25 | 42.5° | 77.1° |
| O31 | C19 | C18 | H26 | 76.6° | 42.7° |
| C19 | C18 | N17 | H25 | 120.4° | 120.1° |
| C19 | C18 | N17 | H26 | 120.4° | 120.1° |
| C19 | C18 | N17 | C15 | 177.4° | 173.6° |
| C19 | C18 | H25 | H26 | 118.7° | 119.7° |
| C18 | N17 | C15 | C14 | 71.9° | 66.1° |
| C18 | N17 | C15 | H19 | 48.4° | 174.0° |
| C18 | N17 | C15 | H20 | 167.9° | 53.9° |
| N17 | C18 | H25 | H26 | 118.7° | 119.9° |
| N17 | C15 | C14 | H19 | 120.2° | 119.9° |
| N17 | C15 | C14 | H20 | 120.2° | 120.0° |
| N17 | C15 | C14 | N16 | 74.4° | 55.0° |
| N17 | C15 | C14 | C13 | 166.1° | 175.0° |
| N17 | C15 | C14 | H18 | 44.7° | 65.0° |
| N17 | C15 | H19 | H20 | 119.3° | 120.0° |
| C15 | N17 | C18 | H25 | 62.1° | 53.5° |
| C15 | N17 | C18 | H26 | 57.0° | 66.3° |
| C15 | C14 | N16 | C13 | 124.1° | 120.0° |
| C15 | C14 | N16 | H18 | 118.6° | 120.0° |
| C15 | C14 | C13 | H18 | 121.4° | 120.0° |
| C15 | C14 | C13 | O38 | 66.5° | 60.0° |
| C15 | C14 | C13 | C33 | 170.0° | 180.0° |
| C15 | C14 | C13 | H17 | 53.1° | 60.0° |
| C14 | C15 | H19 | H20 | 119.3° | 120.0° |
| C15 | C14 | N16 | H21 | 180.0° | 60.0° |
| C15 | C14 | N16 | H22 | 60.0° | 64.0° |
| N16 | C14 | C13 | H18 | 117.7° | 120.0° |
| N16 | C14 | C13 | O38 | 54.4° | 60.0° |
| N16 | C14 | C13 | C33 | 69.1° | 60.0° |
| N16 | C14 | C13 | H17 | 174.0° | 180.0° |
| N16 | C14 | C15 | H19 | 165.4° | 65.0° |
| N16 | C14 | C15 | H20 | 45.9° | 175.0° |
| C14 | N16 | H21 | H22 | 120.0° | 123.9° |
| C14 | C13 | O38 | C33 | 121.3° | 120.0° |
| C14 | C13 | O38 | H17 | 118.9° | 120.0° |
| C14 | C13 | C33 | H17 | 116.9° | 120.0° |
| C14 | C13 | C33 | C34 | 178.1° | 173.0° |
| C13 | C14 | C15 | H19 | 45.9° | 55.1° |
| C13 | C14 | C15 | H20 | 73.6° | 65.0° |
| C13 | C14 | N16 | H21 | 55.9° | 60.0° |
| C13 | C14 | N16 | H22 | 64.1° | 176.0° |
| C14 | C13 | C33 | H39 | 57.5° | 67.0° |
| C14 | C13 | C33 | H40 | 61.3° | 52.9° |
| C14 | C13 | O38 | H44 | 180.0° | 60.0° |
| O38 | C13 | C33 | H17 | 120.4° | 120.0° |
| O38 | C13 | C33 | C34 | 55.5° | 67.0° |
| O38 | C13 | C14 | H18 | 172.1° | 180.0° |
| O38 | C13 | C33 | H39 | 65.1° | 53.0° |
| O38 | C13 | C33 | H40 | 176.1° | 172.9° |
| C13 | C33 | C34 | H39 | 120.6° | 120.0° |
| C13 | C33 | C34 | H40 | 120.6° | 120.0° |
| C13 | C33 | C34 | C37 | 179.9° | 65.1° |
| C13 | C33 | C34 | C35 | 56.5° | 174.9° |
| C33 | C13 | C14 | H18 | 48.6° | 60.0° |
| C13 | C33 | H39 | H40 | 118.2° | 120.0° |
| C13 | C33 | C34 | H41 | 63.9° | 54.9° |
| C33 | C13 | O38 | H44 | 58.7° | 60.0° |
| C33 | C34 | C37 | C35 | 126.9° | 120.0° |
| C33 | C34 | C37 | H41 | 116.2° | 120.0° |
| C33 | C34 | C35 | H41 | 120.3° | 120.0° |
| C33 | C34 | C37 | C39 | 177.0° | 54.6° |
| C33 | C34 | C35 | N12 | 121.5° | 176.3° |
| C33 | C34 | C35 | O36 | 59.8° | 3.7° |
| C34 | C33 | C13 | H17 | 64.9° | 53.0° |
| C34 | C33 | H39 | H40 | 118.2° | 120.0° |
| C33 | C34 | C37 | H42 | 57.0° | 174.6° |
| C33 | C34 | C37 | H43 | 63.0° | 65.4° |
| C37 | C34 | C35 | H41 | 116.7° | 120.0° |
| C34 | C37 | C39 | H42 | 120.1° | 120.0° |
| C34 | C37 | C39 | H43 | 120.0° | 120.1° |
| C37 | C34 | C35 | N12 | 115.5° | 56.3° |
| C37 | C34 | C35 | O36 | 63.2° | 123.7° |
| C37 | C34 | C33 | H39 | 59.5° | 54.9° |
| C37 | C34 | C33 | H40 | 59.3° | 174.9° |
| C34 | C37 | H42 | H43 | 119.8° | 120.0° |
| C34 | C37 | C39 | H45 | 180.0° | 63.9° |
| C34 | C37 | C39 | H46 | 60.0° | 176.1° |
| C34 | C37 | C39 | H47 | 60.0° | 56.1° |
| C35 | C34 | C37 | C39 | 56.1° | 65.4° |
| C34 | C35 | N12 | O36 | 178.7° | 180.0° |
| C34 | C35 | N12 | C1 | 179.7° | 175.0° |
| C34 | C35 | N12 | H16 | 0.3° | 5.0° |
| C35 | C34 | C33 | H39 | 177.1° | 65.1° |
| C35 | C34 | C33 | H40 | 64.1° | 54.9° |
| C35 | C34 | C37 | H42 | 176.2° | 54.6° |
| C35 | C34 | C37 | H43 | 63.9° | 174.6° |
| C39 | C37 | C34 | H41 | 60.8° | 174.6° |
| C39 | C37 | H42 | H43 | 119.8° | 119.9° |
| C37 | C39 | H45 | H46 | 120.0° | 120.1° |
| C37 | C39 | H45 | H47 | 120.0° | 119.9° |
| C37 | C39 | H46 | H47 | 120.0° | 120.0° |
| C35 | N12 | C1 | H16 | 180.0° | 180.0° |
| C35 | N12 | C1 | C2 | 152.4° | 85.0° |
| C35 | N12 | C1 | C3 | 92.4° | 155.0° |
| C35 | N12 | C1 | H1 | 29.4° | 35.0° |
| N12 | C35 | C34 | H41 | 1.2° | 63.7° |
| O36 | C35 | N12 | C1 | 0.9° | 5.0° |
| O36 | C35 | N12 | H16 | 179.1° | 175.0° |
| O36 | C35 | C34 | H41 | 179.9° | 116.3° |
| N12 | C1 | C2 | C9 | 58.9° | 60.0° |
| N12 | C1 | C2 | C3 | 114.8° | 120.0° |
| N12 | C1 | C2 | H1 | 123.6° | 120.0° |
| N12 | C1 | C2 | C4 | 178.2° | 180.0° |
| N12 | C1 | C3 | H1 | 122.3° | 120.0° |
| N12 | C1 | C3 | C7 | 59.0° | 60.0° |
| N12 | C1 | C3 | C5 | 179.6° | 180.0° |
| N12 | C1 | C2 | H2 | 62.3° | 60.1° |
| N12 | C1 | C3 | H3 | 60.2° | 60.0° |
| C9 | C2 | C1 | C4 | 119.3° | 120.0° |
| C9 | C2 | C1 | H2 | 121.2° | 120.0° |
| C9 | C2 | C4 | H2 | 118.0° | 120.0° |
| C2 | C9 | C8 | H11 | 120.2° | 120.0° |
| C2 | C9 | C8 | H12 | 120.2° | 119.9° |
| C9 | C2 | C1 | C3 | 55.9° | 60.0° |
| C9 | C2 | C4 | C6 | 61.9° | 60.0° |
| C2 | C9 | C8 | C7 | 58.9° | 60.0° |
| C2 | C9 | C8 | C10 | 58.5° | 60.1° |
| C9 | C2 | C1 | H1 | 177.5° | 180.0° |
| C9 | C2 | C4 | H4 | 178.0° | 180.0° |
| C9 | C2 | C4 | H5 | 58.1° | 60.0° |
| C2 | C9 | C8 | H10 | 179.2° | 180.0° |
| C2 | C9 | H11 | H12 | 119.3° | 120.0° |
| C1 | C2 | C4 | H2 | 119.5° | 120.0° |
| C1 | C2 | C9 | C8 | 59.4° | 60.0° |
| C2 | C1 | C3 | H1 | 121.5° | 120.0° |
| C1 | C2 | C4 | C6 | 60.6° | 60.0° |
| C2 | C1 | C3 | C7 | 57.2° | 60.0° |
| C2 | C1 | C3 | C5 | 64.2° | 60.0° |
| C2 | C1 | C3 | H3 | 176.4° | 180.0° |
| C1 | C2 | C4 | H4 | 59.5° | 60.0° |
| C1 | C2 | C4 | H5 | 179.4° | 180.0° |
| C1 | C2 | C9 | H11 | 179.6° | 180.0° |
| C1 | C2 | C9 | H12 | 60.9° | 60.0° |
| C2 | C1 | N12 | H16 | 27.6° | 95.0° |
| C4 | C2 | C9 | C8 | 60.8° | 60.0° |
| C4 | C2 | C1 | C3 | 63.4° | 60.0° |
| C2 | C4 | C6 | H4 | 120.0° | 120.0° |
| C2 | C4 | C6 | H5 | 120.0° | 120.0° |
| C2 | C4 | C6 | C10 | 62.4° | 60.0° |
| C2 | C4 | C6 | C5 | 57.0° | 60.0° |
| C2 | C4 | C6 | O11 | 172.1° | 180.0° |
| C4 | C2 | C1 | H1 | 58.2° | 60.0° |
| C2 | C4 | H4 | H5 | 119.8° | 120.0° |
| C4 | C2 | C9 | H11 | 59.5° | 60.0° |
| C4 | C2 | C9 | H12 | 179.0° | 180.0° |
| C9 | C8 | C7 | C10 | 116.5° | 120.0° |
| C9 | C8 | C7 | H10 | 120.4° | 120.0° |
| C9 | C8 | C10 | H10 | 122.4° | 119.9° |
| C9 | C8 | C7 | C3 | 61.5° | 60.0° |
| C9 | C8 | C10 | C6 | 58.1° | 60.0° |
| C8 | C9 | C2 | H2 | 179.1° | 180.0° |
| C9 | C8 | C7 | H8 | 178.2° | 60.0° |
| C9 | C8 | C7 | H9 | 58.8° | 180.0° |
| C8 | C9 | H11 | H12 | 119.2° | 120.0° |
| C9 | C8 | C10 | H13 | 62.1° | 180.0° |
| C9 | C8 | C10 | H14 | 178.3° | 60.0° |
| C1 | C3 | C7 | C8 | 63.7° | 60.0° |
| C1 | C3 | C7 | C5 | 121.7° | 120.0° |
| C1 | C3 | C7 | H3 | 119.5° | 120.0° |
| C1 | C3 | C5 | H3 | 119.5° | 120.0° |
| C1 | C3 | C5 | C6 | 61.2° | 60.0° |
| C3 | C1 | C2 | H2 | 177.0° | 180.0° |
| C1 | C3 | C5 | H6 | 178.9° | 179.9° |
| C1 | C3 | C5 | H7 | 58.8° | 60.0° |
| C1 | C3 | C7 | H8 | 176.1° | 60.0° |
| C1 | C3 | C7 | H9 | 56.6° | 180.0° |
| C3 | C1 | N12 | H16 | 87.6° | 25.0° |
| C4 | C6 | C10 | C8 | 60.0° | 60.0° |
| C4 | C6 | C5 | C3 | 56.6° | 60.0° |
| C4 | C6 | C10 | C5 | 119.9° | 120.0° |
| C4 | C6 | C10 | O11 | 122.4° | 120.0° |
| C4 | C6 | C5 | O11 | 117.6° | 120.0° |
| C6 | C4 | C2 | H2 | 179.9° | 180.0° |
| C6 | C4 | H4 | H5 | 119.9° | 120.0° |
| C4 | C6 | C5 | H6 | 176.5° | 180.0° |
| C4 | C6 | C5 | H7 | 63.4° | 60.0° |
| C4 | C6 | C10 | H13 | 60.2° | 180.0° |
| C4 | C6 | C10 | H14 | 179.8° | 60.0° |
| C4 | C6 | O11 | H15 | 180.0° | 180.0° |
| C7 | C8 | C10 | H10 | 123.3° | 120.0° |
| C8 | C7 | C3 | H8 | 120.3° | 120.1° |
| C8 | C7 | C3 | H9 | 120.3° | 120.0° |
| C8 | C7 | C3 | C5 | 58.1° | 60.0° |
| C7 | C8 | C10 | C6 | 56.2° | 60.0° |
| C8 | C7 | C3 | H3 | 176.8° | 180.0° |
| C8 | C7 | H8 | H9 | 119.2° | 120.0° |
| C7 | C8 | C9 | H11 | 179.1° | 180.0° |
| C7 | C8 | C9 | H12 | 61.4° | 59.9° |
| C7 | C8 | C10 | H13 | 176.4° | 60.0° |
| C7 | C8 | C10 | H14 | 64.0° | 180.0° |
| C10 | C8 | C7 | C3 | 55.0° | 60.0° |
| C8 | C10 | C6 | H13 | 120.2° | 120.0° |
| C8 | C10 | C6 | H14 | 120.2° | 120.0° |
| C8 | C10 | C6 | C5 | 60.0° | 60.0° |
| C8 | C10 | C6 | O11 | 177.7° | 180.0° |
| C10 | C8 | C7 | H8 | 65.3° | 180.0° |
| C10 | C8 | C7 | H9 | 175.2° | 60.0° |
| C10 | C8 | C9 | H11 | 61.8° | 60.0° |
| C10 | C8 | C9 | H12 | 178.7° | 180.0° |
| C8 | C10 | H13 | H14 | 119.4° | 120.0° |
| C7 | C3 | C5 | H3 | 118.4° | 120.0° |
| C7 | C3 | C5 | C6 | 61.0° | 60.0° |
| C7 | C3 | C1 | H1 | 178.7° | 180.0° |
| C7 | C3 | C5 | H6 | 58.9° | 60.1° |
| C7 | C3 | C5 | H7 | 179.0° | 180.0° |
| C3 | C7 | H8 | H9 | 119.2° | 120.0° |
| C3 | C7 | C8 | H10 | 178.1° | 180.0° |
| C3 | C5 | C6 | C10 | 62.3° | 60.0° |
| C3 | C5 | C6 | H6 | 119.9° | 120.0° |
| C3 | C5 | C6 | H7 | 120.0° | 120.0° |
| C3 | C5 | C6 | O11 | 174.2° | 180.0° |
| C5 | C3 | C1 | H1 | 57.3° | 60.0° |
| C3 | C5 | H6 | H7 | 120.1° | 119.9° |
| C5 | C3 | C7 | H8 | 62.2° | 180.0° |
| C5 | C3 | C7 | H9 | 178.4° | 60.0° |
| C10 | C6 | C5 | O11 | 123.4° | 120.0° |
| C10 | C6 | C4 | H4 | 177.6° | 180.0° |
| C10 | C6 | C4 | H5 | 57.6° | 60.0° |
| C10 | C6 | C5 | H6 | 57.6° | 60.0° |
| C10 | C6 | C5 | H7 | 177.7° | 180.0° |
| C6 | C10 | C8 | H10 | 179.5° | 180.0° |
| C6 | C10 | H13 | H14 | 119.4° | 120.0° |
| C10 | C6 | O11 | H15 | 58.1° | 60.0° |
| C6 | C5 | C3 | H3 | 179.4° | 180.0° |
| C5 | C6 | C4 | H4 | 63.0° | 60.0° |
| C5 | C6 | C4 | H5 | 177.0° | 180.0° |
| C6 | C5 | H6 | H7 | 120.2° | 120.0° |
| C5 | C6 | C10 | H13 | 179.8° | 60.0° |
| C5 | C6 | C10 | H14 | 60.2° | 180.0° |
| C5 | C6 | O11 | H15 | 61.8° | 60.0° |
| O11 | C6 | C4 | H4 | 52.0° | 60.0° |
| O11 | C6 | C4 | H5 | 67.9° | 60.0° |
| O11 | C6 | C5 | H6 | 65.9° | 60.0° |
| O11 | C6 | C5 | H7 | 54.3° | 60.0° |
| O11 | C6 | C10 | H13 | 62.1° | 60.0° |
| O11 | C6 | C10 | H14 | 57.5° | 60.0° |
| H1 | C1 | C2 | H2 | 61.3° | 60.0° |
| H1 | C1 | C3 | H3 | 62.1° | 60.0° |
| H1 | C1 | N12 | H16 | 150.6° | 145.0° |
| H2 | C2 | C4 | H4 | 60.1° | 60.0° |
| H2 | C2 | C4 | H5 | 59.8° | 60.0° |
| H2 | C2 | C9 | H11 | 58.9° | 60.0° |
| H2 | C2 | C9 | H12 | 60.7° | 60.1° |
| H3 | C3 | C5 | H6 | 59.4° | 59.9° |
| H3 | C3 | C5 | H7 | 60.6° | 60.0° |
| H3 | C3 | C7 | H8 | 56.6° | 60.0° |
| H3 | C3 | C7 | H9 | 62.9° | 60.0° |
| H8 | C7 | C8 | H10 | 57.9° | 59.9° |
| H9 | C7 | C8 | H10 | 61.6° | 60.0° |
| H10 | C8 | C9 | H11 | 60.5° | 60.0° |
| H10 | C8 | C9 | H12 | 59.0° | 60.1° |
| H10 | C8 | C10 | H13 | 60.3° | 60.0° |
| H10 | C8 | C10 | H14 | 59.3° | 60.0° |
| H17 | C13 | C14 | H18 | 68.3° | 60.0° |
| H17 | C13 | C33 | H39 | 174.5° | 173.0° |
| H17 | C13 | C33 | H40 | 55.7° | 67.0° |
| H17 | C13 | O38 | H44 | 61.1° | 180.0° |
| H18 | C14 | C15 | H19 | 75.5° | 175.0° |
| H18 | C14 | C15 | H20 | 165.0° | 55.0° |
| H18 | C14 | N16 | H21 | 61.4° | 180.0° |
| H18 | C14 | N16 | H22 | 178.6° | 56.0° |
| H29 | C23 | H30 | H31 | 120.0° | 120.1° |
| H32 | C24 | H33 | H34 | 120.0° | 120.0° |
| H35 | C26 | C27 | H36 | 2.2° | 0.0° |
| H36 | C27 | C28 | H37 | 1.5° | 0.0° |
| H37 | C28 | C29 | H38 | 0.4° | 0.0° |
| H39 | C33 | C34 | H41 | 56.7° | 174.9° |
| H40 | C33 | C34 | H41 | 175.5° | 65.1° |
| H41 | C34 | C37 | H42 | 59.3° | 65.4° |
| H41 | C34 | C37 | H43 | 179.2° | 54.6° |
| H42 | C37 | C39 | H45 | 60.0° | 56.1° |
| H42 | C37 | C39 | H46 | 179.9° | 63.9° |
| H42 | C37 | C39 | H47 | 60.1° | 176.1° |
| H43 | C37 | C39 | H45 | 59.9° | 176.1° |
| H43 | C37 | C39 | H46 | 60.1° | 56.0° |
| H43 | C37 | C39 | H47 | 180.0° | 64.0° |
| H45 | C39 | H46 | H47 | 120.0° | 119.9° |
