HUU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F31 | C29 | sing | 1.40Å | 0.00Å | |
| O28 | C29 | sing | 1.43Å | 0.00Å | |
| O28 | C27 | sing | 1.36Å | 0.00Å | |
| C26 | C27 | doub | 1.39Å | 0.00Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 0.00Å | Aromatic |
| C29 | F32 | sing | 1.40Å | 0.00Å | |
| C29 | F30 | sing | 1.40Å | 0.00Å | |
| C27 | C33 | sing | 1.39Å | 0.00Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 0.00Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 0.00Å | Aromatic |
| C24 | C34 | sing | 1.38Å | 0.00Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 0.00Å | |
| C22 | C23 | sing | 1.53Å | 0.00Å | |
| C22 | C21 | sing | 1.53Å | 0.00Å | |
| C23 | C35 | sing | 1.53Å | 0.00Å | |
| C21 | N20 | sing | 1.47Å | 0.00Å | |
| C35 | C36 | sing | 1.53Å | 0.00Å | |
| N20 | C36 | sing | 1.47Å | 0.00Å | |
| N20 | C19 | sing | 1.40Å | 0.00Å | |
| C37 | C19 | doub | 1.39Å | 0.00Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 0.00Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 0.00Å | Aromatic |
| C38 | C16 | doub | 1.38Å | 0.00Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 0.00Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 0.00Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 0.00Å | |
| C15 | N14 | sing | 1.46Å | 0.00Å | |
| O39 | C13 | doub | 1.22Å | 0.00Å | |
| N14 | C13 | sing | 1.35Å | 0.00Å | |
| C13 | C12 | sing | 1.42Å | 0.00Å | |
| C05 | N06 | sing | 1.36Å | 0.00Å | Aromatic |
| C05 | C02 | doub | 1.35Å | 0.00Å | Aromatic |
| C12 | N06 | sing | 1.38Å | 0.00Å | Aromatic |
| C12 | C09 | doub | 1.38Å | 0.00Å | Aromatic |
| CL1 | C02 | sing | 1.74Å | 0.00Å | |
| C10 | C09 | sing | 1.51Å | 0.00Å | |
| C10 | C11 | sing | 1.53Å | 0.00Å | |
| N06 | C07 | sing | 1.37Å | 0.00Å | Aromatic |
| C09 | N08 | sing | 1.32Å | 0.00Å | Aromatic |
| C02 | C03 | sing | 1.40Å | 0.00Å | Aromatic |
| C07 | N08 | doub | 1.33Å | 0.00Å | Aromatic |
| C07 | C04 | sing | 1.41Å | 0.00Å | Aromatic |
| C03 | C04 | doub | 1.36Å | 0.00Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 0.00Å | |
| C10 | H2 | sing | 1.09Å | 0.00Å | |
| C15 | H3 | sing | 1.09Å | 0.00Å | |
| C15 | H4 | sing | 1.09Å | 0.00Å | |
| C17 | H5 | sing | 1.08Å | 0.00Å | |
| C18 | H6 | sing | 1.08Å | 0.00Å | |
| C21 | H7 | sing | 1.09Å | 0.00Å | |
| C21 | H8 | sing | 1.09Å | 0.00Å | |
| C22 | H9 | sing | 1.09Å | 0.00Å | |
| C22 | H10 | sing | 1.09Å | 0.00Å | |
| C23 | H11 | sing | 1.09Å | 0.00Å | |
| C03 | H12 | sing | 1.08Å | 0.00Å | |
| C04 | H13 | sing | 1.08Å | 0.00Å | |
| C05 | H14 | sing | 1.08Å | 0.00Å | |
| C11 | H15 | sing | 1.09Å | 0.00Å | |
| C11 | H16 | sing | 1.09Å | 0.00Å | |
| C11 | H17 | sing | 1.09Å | 0.00Å | |
| C25 | H18 | sing | 1.08Å | 0.00Å | |
| C26 | H19 | sing | 1.08Å | 0.00Å | |
| C33 | H20 | sing | 1.08Å | 0.00Å | |
| C34 | H21 | sing | 1.08Å | 0.00Å | |
| C35 | H22 | sing | 1.09Å | 0.00Å | |
| C35 | H23 | sing | 1.09Å | 0.00Å | |
| C36 | H24 | sing | 1.09Å | 0.00Å | |
| C36 | H25 | sing | 1.09Å | 0.00Å | |
| C37 | H26 | sing | 1.08Å | 0.00Å | |
| C38 | H27 | sing | 1.08Å | 0.00Å | |
| N14 | H28 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F31 | C29 | O28 | 90.0° | 109.4° |
| F31 | C29 | F32 | 90.0° | 109.5° |
| F31 | C29 | F30 | 90.0° | 109.5° |
| C29 | O28 | C27 | 90.0° | 117.0° |
| O28 | C29 | F32 | 90.0° | 109.5° |
| O28 | C29 | F30 | 90.0° | 109.5° |
| O28 | C27 | C26 | 90.0° | 120.1° |
| O28 | C27 | C33 | 90.0° | 120.1° |
| C27 | C26 | C25 | 90.0° | 120.0° |
| C26 | C27 | C33 | 90.0° | 119.9° |
| C27 | C26 | H19 | 90.0° | 120.0° |
| C26 | C25 | C24 | 90.0° | 120.0° |
| C26 | C25 | H18 | 90.0° | 120.0° |
| C25 | C26 | H19 | 90.0° | 120.0° |
| F32 | C29 | F30 | 90.0° | 109.5° |
| C27 | C33 | C34 | 90.0° | 119.9° |
| C27 | C33 | H20 | 90.0° | 120.0° |
| C25 | C24 | C34 | 90.0° | 120.1° |
| C25 | C24 | C23 | 90.0° | 119.9° |
| C24 | C25 | H18 | 90.0° | 120.0° |
| C33 | C34 | C24 | 90.0° | 120.1° |
| C34 | C33 | H20 | 90.0° | 120.0° |
| C33 | C34 | H21 | 90.0° | 120.0° |
| C34 | C24 | C23 | 90.0° | 120.0° |
| C24 | C34 | H21 | 90.0° | 120.0° |
| C24 | C23 | C22 | 90.0° | 109.5° |
| C24 | C23 | C35 | 90.0° | 109.5° |
| C24 | C23 | H11 | 90.0° | 109.6° |
| C23 | C22 | C21 | 90.0° | 109.3° |
| C22 | C23 | C35 | 90.0° | 109.2° |
| C23 | C22 | H9 | 90.0° | 109.5° |
| C23 | C22 | H10 | 90.0° | 109.5° |
| C22 | C23 | H11 | 90.0° | 109.5° |
| C22 | C21 | N20 | 90.0° | 109.5° |
| C22 | C21 | H7 | 90.0° | 109.5° |
| C22 | C21 | H8 | 90.0° | 109.5° |
| C21 | C22 | H9 | 90.0° | 109.5° |
| C21 | C22 | H10 | 90.0° | 109.5° |
| C23 | C35 | C36 | 90.0° | 109.3° |
| C35 | C23 | H11 | 90.0° | 109.5° |
| C23 | C35 | H22 | 90.0° | 109.5° |
| C23 | C35 | H23 | 90.0° | 109.5° |
| C21 | N20 | C36 | 90.0° | 111.2° |
| C21 | N20 | C19 | 90.0° | 111.0° |
| N20 | C21 | H7 | 90.0° | 109.4° |
| N20 | C21 | H8 | 90.0° | 109.5° |
| C35 | C36 | N20 | 90.0° | 109.5° |
| C36 | C35 | H22 | 90.0° | 109.5° |
| C36 | C35 | H23 | 90.0° | 109.5° |
| C35 | C36 | H24 | 90.0° | 109.4° |
| C35 | C36 | H25 | 90.0° | 109.4° |
| C36 | N20 | C19 | 90.0° | 111.0° |
| N20 | C36 | H24 | 90.0° | 109.4° |
| N20 | C36 | H25 | 90.0° | 109.5° |
| N20 | C19 | C37 | 90.0° | 120.1° |
| N20 | C19 | C18 | 90.0° | 120.1° |
| C19 | C37 | C38 | 90.0° | 119.9° |
| C37 | C19 | C18 | 90.0° | 119.8° |
| C19 | C37 | H26 | 90.0° | 120.1° |
| C37 | C38 | C16 | 90.0° | 120.1° |
| C38 | C37 | H26 | 90.0° | 120.1° |
| C37 | C38 | H27 | 90.0° | 119.9° |
| C19 | C18 | C17 | 90.0° | 120.0° |
| C19 | C18 | H6 | 90.0° | 120.0° |
| C38 | C16 | C17 | 90.0° | 120.1° |
| C38 | C16 | C15 | 90.0° | 119.9° |
| C16 | C38 | H27 | 90.0° | 119.9° |
| C18 | C17 | C16 | 90.0° | 120.1° |
| C18 | C17 | H5 | 90.0° | 120.0° |
| C17 | C18 | H6 | 90.0° | 120.1° |
| C17 | C16 | C15 | 90.0° | 119.9° |
| C16 | C17 | H5 | 90.0° | 119.9° |
| C16 | C15 | N14 | 90.0° | 109.5° |
| C16 | C15 | H3 | 90.0° | 109.5° |
| C16 | C15 | H4 | 90.0° | 109.4° |
| C15 | N14 | C13 | 90.0° | 120.0° |
| N14 | C15 | H3 | 90.0° | 109.5° |
| N14 | C15 | H4 | 90.0° | 109.5° |
| C15 | N14 | H28 | 90.0° | 120.0° |
| O39 | C13 | N14 | 90.0° | 120.0° |
| O39 | C13 | C12 | 90.0° | 120.0° |
| N14 | C13 | C12 | 90.0° | 120.0° |
| C13 | N14 | H28 | 90.0° | 120.0° |
| C13 | C12 | N06 | 90.0° | 126.8° |
| C13 | C12 | C09 | 90.0° | 126.8° |
| N06 | C05 | C02 | 90.0° | 120.7° |
| C05 | N06 | C12 | 90.0° | 132.4° |
| C05 | N06 | C07 | 90.0° | 120.6° |
| N06 | C05 | H14 | 90.0° | 119.6° |
| C05 | C02 | CL1 | 90.0° | 120.0° |
| C05 | C02 | C03 | 90.0° | 120.1° |
| C02 | C05 | H14 | 90.0° | 119.7° |
| N06 | C12 | C09 | 90.0° | 106.4° |
| C12 | N06 | C07 | 90.0° | 106.9° |
| C12 | C09 | C10 | 90.0° | 125.9° |
| C12 | C09 | N08 | 90.0° | 108.3° |
| CL1 | C02 | C03 | 90.0° | 119.9° |
| C09 | C10 | C11 | 90.0° | 109.5° |
| C10 | C09 | N08 | 90.0° | 125.9° |
| C09 | C10 | H1 | 90.0° | 109.5° |
| C09 | C10 | H2 | 90.0° | 109.5° |
| C11 | C10 | H1 | 90.0° | 109.4° |
| C11 | C10 | H2 | 90.0° | 109.5° |
| C10 | C11 | H15 | 90.0° | 109.4° |
| C10 | C11 | H16 | 90.0° | 109.5° |
| C10 | C11 | H17 | 90.0° | 109.5° |
| N06 | C07 | N08 | 90.0° | 108.6° |
| N06 | C07 | C04 | 90.0° | 119.6° |
| C09 | N08 | C07 | 90.0° | 109.8° |
| C02 | C03 | C04 | 90.0° | 119.6° |
| C02 | C03 | H12 | 90.0° | 120.2° |
| N08 | C07 | C04 | 90.0° | 131.8° |
| C07 | C04 | C03 | 90.0° | 119.4° |
| C07 | C04 | H13 | 90.0° | 120.3° |
| C04 | C03 | H12 | 90.0° | 120.2° |
| C03 | C04 | H13 | 90.0° | 120.3° |
| H1 | C10 | H2 | 90.0° | 109.5° |
| H3 | C15 | H4 | 90.0° | 109.5° |
| H7 | C21 | H8 | 90.0° | 109.5° |
| H9 | C22 | H10 | 90.0° | 109.5° |
| H15 | C11 | H16 | 90.0° | 109.4° |
| H15 | C11 | H17 | 90.0° | 109.5° |
| H16 | C11 | H17 | 90.0° | 109.5° |
| H22 | C35 | H23 | 90.0° | 109.5° |
| H24 | C36 | H25 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F31 | C29 | O28 | F32 | 90.0° | 120.0° |
| F31 | C29 | O28 | F30 | 90.0° | 120.0° |
| F31 | C29 | O28 | C27 | 90.0° | 180.0° |
| F31 | C29 | F32 | F30 | 90.0° | 120.1° |
| C29 | O28 | C27 | C26 | 90.0° | 180.0° |
| O28 | C29 | F32 | F30 | 90.0° | 120.0° |
| C29 | O28 | C27 | C33 | 90.0° | 0.1° |
| O28 | C27 | C26 | C33 | 90.0° | 179.9° |
| O28 | C27 | C26 | C25 | 90.0° | 180.0° |
| C27 | O28 | C29 | F32 | 90.0° | 60.0° |
| C27 | O28 | C29 | F30 | 90.0° | 60.0° |
| O28 | C27 | C33 | C34 | 90.0° | 180.0° |
| O28 | C27 | C26 | H19 | 90.0° | 0.0° |
| O28 | C27 | C33 | H20 | 90.0° | 0.1° |
| C27 | C26 | C25 | H19 | 90.0° | 180.0° |
| C27 | C26 | C25 | C24 | 90.0° | 0.0° |
| C26 | C27 | C33 | C34 | 90.0° | 0.1° |
| C27 | C26 | C25 | H18 | 90.0° | 180.0° |
| C26 | C27 | C33 | H20 | 90.0° | 180.0° |
| C25 | C26 | C27 | C33 | 90.0° | 0.0° |
| C26 | C25 | C24 | H18 | 90.0° | 179.9° |
| C26 | C25 | C24 | C34 | 90.0° | 0.0° |
| C26 | C25 | C24 | C23 | 90.0° | 179.8° |
| C27 | C33 | C34 | H20 | 90.0° | 179.9° |
| C27 | C33 | C34 | C24 | 90.0° | 0.1° |
| C33 | C27 | C26 | H19 | 90.0° | 180.0° |
| C27 | C33 | C34 | H21 | 90.0° | 179.7° |
| C25 | C24 | C34 | C33 | 90.0° | 0.0° |
| C25 | C24 | C34 | C23 | 90.0° | 179.7° |
| C25 | C24 | C23 | C22 | 90.0° | 32.8° |
| C25 | C24 | C23 | C35 | 90.0° | 152.5° |
| C25 | C24 | C23 | H11 | 90.0° | 87.3° |
| C24 | C25 | C26 | H19 | 90.0° | 180.0° |
| C25 | C24 | C34 | H21 | 90.0° | 179.7° |
| C33 | C34 | C24 | H21 | 90.0° | 179.8° |
| C33 | C34 | C24 | C23 | 90.0° | 179.8° |
| C34 | C24 | C23 | C22 | 90.0° | 147.4° |
| C34 | C24 | C23 | C35 | 90.0° | 27.7° |
| C34 | C24 | C23 | H11 | 90.0° | 92.4° |
| C34 | C24 | C25 | H18 | 90.0° | 179.9° |
| C24 | C34 | C33 | H20 | 90.0° | 180.0° |
| C24 | C23 | C22 | C35 | 90.0° | 119.9° |
| C24 | C23 | C22 | H11 | 90.0° | 120.2° |
| C24 | C23 | C22 | C21 | 90.0° | 62.3° |
| C24 | C23 | C35 | H11 | 90.0° | 120.1° |
| C24 | C23 | C35 | C36 | 90.0° | 62.3° |
| C24 | C23 | C22 | H9 | 90.0° | 57.7° |
| C24 | C23 | C22 | H10 | 90.0° | 177.8° |
| C23 | C24 | C25 | H18 | 90.0° | 0.3° |
| C23 | C24 | C34 | H21 | 90.0° | 0.0° |
| C24 | C23 | C35 | H22 | 90.0° | 57.7° |
| C24 | C23 | C35 | H23 | 90.0° | 177.8° |
| C23 | C22 | C21 | H9 | 90.0° | 120.0° |
| C23 | C22 | C21 | H10 | 90.0° | 119.9° |
| C22 | C23 | C35 | H11 | 90.0° | 119.9° |
| C23 | C22 | C21 | N20 | 90.0° | 59.2° |
| C22 | C23 | C35 | C36 | 90.0° | 57.6° |
| C23 | C22 | C21 | H7 | 90.0° | 179.2° |
| C23 | C22 | C21 | H8 | 90.0° | 60.9° |
| C23 | C22 | H9 | H10 | 90.0° | 120.1° |
| C22 | C23 | C35 | H22 | 90.0° | 177.6° |
| C22 | C23 | C35 | H23 | 90.0° | 62.3° |
| C21 | C22 | C23 | C35 | 90.0° | 57.6° |
| C22 | C21 | N20 | H7 | 90.0° | 120.0° |
| C22 | C21 | N20 | H8 | 90.0° | 120.0° |
| C22 | C21 | N20 | C36 | 90.0° | 61.7° |
| C22 | C21 | N20 | C19 | 90.0° | 174.2° |
| C22 | C21 | H7 | H8 | 90.0° | 120.0° |
| C21 | C22 | H9 | H10 | 90.0° | 120.0° |
| C21 | C22 | C23 | H11 | 90.0° | 177.6° |
| C23 | C35 | C36 | H22 | 90.0° | 120.0° |
| C23 | C35 | C36 | H23 | 90.0° | 119.9° |
| C23 | C35 | C36 | N20 | 90.0° | 59.1° |
| C35 | C23 | C22 | H9 | 90.0° | 177.6° |
| C35 | C23 | C22 | H10 | 90.0° | 62.3° |
| C23 | C35 | H22 | H23 | 90.0° | 120.1° |
| C23 | C35 | C36 | H24 | 90.0° | 60.8° |
| C23 | C35 | C36 | H25 | 90.0° | 179.1° |
| C21 | N20 | C36 | C35 | 90.0° | 61.7° |
| C21 | N20 | C36 | C19 | 90.0° | 124.1° |
| C21 | N20 | C19 | C37 | 90.0° | 0.0° |
| C21 | N20 | C19 | C18 | 90.0° | 180.0° |
| N20 | C21 | H7 | H8 | 90.0° | 120.0° |
| N20 | C21 | C22 | H9 | 90.0° | 179.2° |
| N20 | C21 | C22 | H10 | 90.0° | 60.7° |
| C21 | N20 | C36 | H24 | 90.0° | 58.3° |
| C21 | N20 | C36 | H25 | 90.0° | 178.3° |
| C35 | C36 | N20 | H24 | 90.0° | 120.0° |
| C35 | C36 | N20 | H25 | 90.0° | 120.0° |
| C35 | C36 | N20 | C19 | 90.0° | 174.2° |
| C36 | C35 | C23 | H11 | 90.0° | 177.6° |
| C36 | C35 | H22 | H23 | 90.0° | 120.1° |
| C35 | C36 | H24 | H25 | 90.0° | 120.0° |
| C36 | N20 | C19 | C37 | 90.0° | 124.2° |
| C36 | N20 | C19 | C18 | 90.0° | 55.8° |
| C36 | N20 | C21 | H7 | 90.0° | 178.3° |
| C36 | N20 | C21 | H8 | 90.0° | 58.3° |
| N20 | C36 | C35 | H22 | 90.0° | 179.2° |
| N20 | C36 | C35 | H23 | 90.0° | 60.8° |
| N20 | C36 | H24 | H25 | 90.0° | 120.0° |
| N20 | C19 | C37 | C18 | 90.0° | 180.0° |
| N20 | C19 | C37 | C38 | 90.0° | 179.8° |
| N20 | C19 | C18 | C17 | 90.0° | 180.0° |
| N20 | C19 | C18 | H6 | 90.0° | 0.0° |
| C19 | N20 | C21 | H7 | 90.0° | 54.2° |
| C19 | N20 | C21 | H8 | 90.0° | 65.8° |
| C19 | N20 | C36 | H24 | 90.0° | 65.9° |
| C19 | N20 | C36 | H25 | 90.0° | 54.2° |
| N20 | C19 | C37 | H26 | 90.0° | 0.0° |
| C19 | C37 | C38 | H26 | 90.0° | 179.8° |
| C19 | C37 | C38 | C16 | 90.0° | 0.5° |
| C37 | C19 | C18 | C17 | 90.0° | 0.0° |
| C37 | C19 | C18 | H6 | 90.0° | 180.0° |
| C19 | C37 | C38 | H27 | 90.0° | 180.0° |
| C38 | C37 | C19 | C18 | 90.0° | 0.2° |
| C37 | C38 | C16 | H27 | 90.0° | 179.5° |
| C37 | C38 | C16 | C17 | 90.0° | 0.6° |
| C37 | C38 | C16 | C15 | 90.0° | 179.7° |
| C19 | C18 | C17 | H6 | 90.0° | 179.9° |
| C19 | C18 | C17 | C16 | 90.0° | 0.0° |
| C19 | C18 | C17 | H5 | 90.0° | 179.9° |
| C18 | C19 | C37 | H26 | 90.0° | 180.0° |
| C38 | C16 | C17 | C18 | 90.0° | 0.3° |
| C38 | C16 | C17 | C15 | 90.0° | 179.7° |
| C38 | C16 | C15 | N14 | 90.0° | 90.3° |
| C38 | C16 | C15 | H3 | 90.0° | 29.8° |
| C38 | C16 | C15 | H4 | 90.0° | 149.7° |
| C38 | C16 | C17 | H5 | 90.0° | 179.8° |
| C16 | C38 | C37 | H26 | 90.0° | 179.7° |
| C18 | C17 | C16 | H5 | 90.0° | 179.9° |
| C18 | C17 | C16 | C15 | 90.0° | 180.0° |
| C17 | C16 | C15 | N14 | 90.0° | 90.0° |
| C17 | C16 | C15 | H3 | 90.0° | 149.9° |
| C17 | C16 | C15 | H4 | 90.0° | 30.0° |
| C16 | C17 | C18 | H6 | 90.0° | 179.9° |
| C17 | C16 | C38 | H27 | 90.0° | 179.9° |
| C16 | C15 | N14 | H3 | 90.0° | 120.0° |
| C16 | C15 | N14 | H4 | 90.0° | 120.0° |
| C16 | C15 | N14 | C13 | 90.0° | 180.0° |
| C16 | C15 | H3 | H4 | 90.0° | 119.9° |
| C15 | C16 | C17 | H5 | 90.0° | 0.1° |
| C15 | C16 | C38 | H27 | 90.0° | 0.2° |
| C16 | C15 | N14 | H28 | 90.0° | 0.0° |
| C15 | N14 | C13 | O39 | 90.0° | 5.4° |
| C15 | N14 | C13 | H28 | 90.0° | 179.9° |
| C15 | N14 | C13 | C12 | 90.0° | 174.6° |
| N14 | C15 | H3 | H4 | 90.0° | 120.0° |
| O39 | C13 | N14 | C12 | 90.0° | 180.0° |
| O39 | C13 | C12 | N06 | 90.0° | 93.5° |
| O39 | C13 | C12 | C09 | 90.0° | 86.4° |
| O39 | C13 | N14 | H28 | 90.0° | 174.6° |
| N14 | C13 | C12 | N06 | 90.0° | 86.4° |
| N14 | C13 | C12 | C09 | 90.0° | 93.6° |
| C13 | N14 | C15 | H3 | 90.0° | 59.9° |
| C13 | N14 | C15 | H4 | 90.0° | 60.1° |
| C13 | C12 | N06 | C05 | 90.0° | 0.0° |
| C13 | C12 | N06 | C09 | 90.0° | 179.9° |
| C13 | C12 | C09 | C10 | 90.0° | 0.1° |
| C13 | C12 | N06 | C07 | 90.0° | 180.0° |
| C13 | C12 | C09 | N08 | 90.0° | 180.0° |
| C12 | C13 | N14 | H28 | 90.0° | 5.3° |
| N06 | C05 | C02 | H14 | 90.0° | 179.9° |
| C05 | N06 | C12 | C07 | 90.0° | 180.0° |
| C05 | N06 | C12 | C09 | 90.0° | 179.9° |
| N06 | C05 | C02 | CL1 | 90.0° | 179.7° |
| N06 | C05 | C02 | C03 | 90.0° | 0.0° |
| C05 | N06 | C07 | N08 | 90.0° | 179.9° |
| C05 | N06 | C07 | C04 | 90.0° | 0.0° |
| C02 | C05 | N06 | C12 | 90.0° | 180.0° |
| C05 | C02 | CL1 | C03 | 90.0° | 179.6° |
| C02 | C05 | N06 | C07 | 90.0° | 0.0° |
| C05 | C02 | C03 | C04 | 90.0° | 0.1° |
| C05 | C02 | C03 | H12 | 90.0° | 180.0° |
| N06 | C12 | C09 | C10 | 90.0° | 180.0° |
| N06 | C12 | C09 | N08 | 90.0° | 0.0° |
| C12 | N06 | C07 | N08 | 90.0° | 0.0° |
| C12 | N06 | C07 | C04 | 90.0° | 180.0° |
| C12 | N06 | C05 | H14 | 90.0° | 0.0° |
| C12 | C09 | C10 | N08 | 90.0° | 179.9° |
| C12 | C09 | C10 | C11 | 90.0° | 89.9° |
| C09 | C12 | N06 | C07 | 90.0° | 0.0° |
| C12 | C09 | N08 | C07 | 90.0° | 0.0° |
| C12 | C09 | C10 | H1 | 90.0° | 30.0° |
| C12 | C09 | C10 | H2 | 90.0° | 150.1° |
| CL1 | C02 | C03 | C04 | 90.0° | 179.7° |
| CL1 | C02 | C03 | H12 | 90.0° | 0.4° |
| CL1 | C02 | C05 | H14 | 90.0° | 0.4° |
| C09 | C10 | C11 | H1 | 90.0° | 120.0° |
| C09 | C10 | C11 | H2 | 90.0° | 120.0° |
| C10 | C09 | N08 | C07 | 90.0° | 180.0° |
| C09 | C10 | H1 | H2 | 90.0° | 120.1° |
| C09 | C10 | C11 | H15 | 90.0° | 60.0° |
| C09 | C10 | C11 | H16 | 90.0° | 60.0° |
| C09 | C10 | C11 | H17 | 90.0° | 180.0° |
| C11 | C10 | C09 | N08 | 90.0° | 90.0° |
| C11 | C10 | H1 | H2 | 90.0° | 120.0° |
| C10 | C11 | H15 | H16 | 90.0° | 120.0° |
| C10 | C11 | H15 | H17 | 90.0° | 120.0° |
| C10 | C11 | H16 | H17 | 90.0° | 120.0° |
| N06 | C07 | N08 | C09 | 90.0° | 0.0° |
| N06 | C07 | N08 | C04 | 90.0° | 179.9° |
| N06 | C07 | C04 | C03 | 90.0° | 0.1° |
| N06 | C07 | C04 | H13 | 90.0° | 180.0° |
| C07 | N06 | C05 | H14 | 90.0° | 180.0° |
| C09 | N08 | C07 | C04 | 90.0° | 179.9° |
| N08 | C09 | C10 | H1 | 90.0° | 150.1° |
| N08 | C09 | C10 | H2 | 90.0° | 30.0° |
| C02 | C03 | C04 | C07 | 90.0° | 0.1° |
| C02 | C03 | C04 | H12 | 90.0° | 179.9° |
| C02 | C03 | C04 | H13 | 90.0° | 180.0° |
| C03 | C02 | C05 | H14 | 90.0° | 180.0° |
| N08 | C07 | C04 | C03 | 90.0° | 179.9° |
| N08 | C07 | C04 | H13 | 90.0° | 0.1° |
| C07 | C04 | C03 | H13 | 90.0° | 179.9° |
| C07 | C04 | C03 | H12 | 90.0° | 180.0° |
| H1 | C10 | C11 | H15 | 90.0° | 180.0° |
| H1 | C10 | C11 | H16 | 90.0° | 60.0° |
| H1 | C10 | C11 | H17 | 90.0° | 60.0° |
| H2 | C10 | C11 | H15 | 90.0° | 60.0° |
| H2 | C10 | C11 | H16 | 90.0° | 180.0° |
| H2 | C10 | C11 | H17 | 90.0° | 60.0° |
| H3 | C15 | N14 | H28 | 90.0° | 120.0° |
| H4 | C15 | N14 | H28 | 90.0° | 120.0° |
| H5 | C17 | C18 | H6 | 90.0° | 0.0° |
| H7 | C21 | C22 | H9 | 90.0° | 60.9° |
| H7 | C21 | C22 | H10 | 90.0° | 59.2° |
| H8 | C21 | C22 | H9 | 90.0° | 59.1° |
| H8 | C21 | C22 | H10 | 90.0° | 179.2° |
| H9 | C22 | C23 | H11 | 90.0° | 62.5° |
| H10 | C22 | C23 | H11 | 90.0° | 57.6° |
| H11 | C23 | C35 | H22 | 90.0° | 62.4° |
| H11 | C23 | C35 | H23 | 90.0° | 57.6° |
| H12 | C03 | C04 | H13 | 90.0° | 0.1° |
| H15 | C11 | H16 | H17 | 90.0° | 120.0° |
| H18 | C25 | C26 | H19 | 90.0° | 0.1° |
| H20 | C33 | C34 | H21 | 90.0° | 0.2° |
| H22 | C35 | C36 | H24 | 90.0° | 59.2° |
| H22 | C35 | C36 | H25 | 90.0° | 60.9° |
| H23 | C35 | C36 | H24 | 90.0° | 179.2° |
| H23 | C35 | C36 | H25 | 90.0° | 59.2° |
| H26 | C37 | C38 | H27 | 90.0° | 0.2° |
