A1JPO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.54Å | 1.54Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C13 | N12 | sing | 1.47Å | 1.47Å | |
| N5 | C4 | sing | 1.32Å | 1.32Å | Aromatic |
| N5 | C6 | doub | 1.33Å | 1.33Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | N11 | sing | 1.37Å | 1.37Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.36Å | Aromatic |
| N12 | C20 | sing | 1.40Å | 1.41Å | |
| N12 | C2 | sing | 1.35Å | 1.37Å | |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | N11 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.42Å | 1.42Å | |
| N11 | C10 | sing | 1.36Å | 1.37Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | O1 | doub | 1.22Å | 1.22Å | |
| C8 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.35Å | 1.36Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | N21 | sing | 1.40Å | 1.41Å | |
| N21 | C22 | sing | 1.35Å | 1.37Å | |
| O23 | C22 | doub | 1.22Å | 1.22Å | |
| C22 | C24 | sing | 1.48Å | 1.49Å | |
| C24 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C24 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C34 | sing | 1.51Å | 1.51Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C30 | sing | 1.51Å | 1.50Å | |
| C34 | N35 | sing | 1.47Å | 1.46Å | |
| F31 | C30 | sing | 1.40Å | 1.40Å | |
| C36 | N35 | sing | 1.47Å | 1.47Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C30 | F32 | sing | 1.40Å | 1.39Å | |
| C30 | F33 | sing | 1.40Å | 1.39Å | |
| N35 | C41 | sing | 1.47Å | 1.47Å | |
| C37 | N38 | sing | 1.47Å | 1.48Å | |
| C41 | C40 | sing | 1.53Å | 1.53Å | |
| N38 | C40 | sing | 1.47Å | 1.48Å | |
| N38 | C39 | sing | 1.47Å | 1.47Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C27 | H7 | sing | 1.08Å | 1.08Å | |
| C34 | H8 | sing | 1.09Å | 1.10Å | |
| C34 | H9 | sing | 1.09Å | 1.10Å | |
| C36 | H10 | sing | 1.09Å | 1.10Å | |
| C36 | H11 | sing | 1.09Å | 1.10Å | |
| C37 | H12 | sing | 1.09Å | 1.10Å | |
| C37 | H13 | sing | 1.09Å | 1.10Å | |
| C39 | H14 | sing | 1.09Å | 1.10Å | |
| C39 | H15 | sing | 1.09Å | 1.10Å | |
| C39 | H16 | sing | 1.09Å | 1.10Å | |
| C40 | H17 | sing | 1.09Å | 1.10Å | |
| C40 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å | |
| C10 | H20 | sing | 1.08Å | 1.08Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| N21 | H25 | sing | 0.97Å | 1.00Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C41 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 102.3° | 104.6° |
| C14 | C13 | N12 | 104.9° | 105.2° |
| C14 | C13 | H21 | 110.6° | 110.4° |
| C14 | C13 | H22 | 110.6° | 110.3° |
| C13 | C14 | H23 | 111.2° | 110.4° |
| C13 | C14 | H24 | 111.2° | 110.4° |
| C14 | C15 | C16 | 131.8° | 130.9° |
| C14 | C15 | C20 | 107.9° | 108.5° |
| C15 | C14 | H23 | 111.2° | 110.5° |
| C15 | C14 | H24 | 111.2° | 110.4° |
| C13 | N12 | C20 | 106.3° | 110.0° |
| C13 | N12 | C2 | 126.6° | 125.0° |
| N12 | C13 | H21 | 110.6° | 110.3° |
| N12 | C13 | H22 | 110.6° | 110.3° |
| C4 | N5 | C6 | 109.0° | 109.8° |
| N5 | C4 | C3 | 108.9° | 108.2° |
| N5 | C4 | H1 | 125.6° | 125.9° |
| N5 | C6 | C7 | 132.0° | 131.8° |
| N5 | C6 | N11 | 109.3° | 108.6° |
| C4 | C3 | N11 | 106.5° | 106.4° |
| C4 | C3 | C2 | 126.1° | 126.8° |
| C3 | C4 | H1 | 125.6° | 125.9° |
| C7 | C6 | N11 | 118.7° | 119.6° |
| C6 | C7 | C8 | 119.4° | 119.4° |
| C6 | C7 | H2 | 120.3° | 120.3° |
| C6 | N11 | C3 | 106.3° | 106.9° |
| C6 | N11 | C10 | 121.7° | 120.7° |
| C16 | C15 | C20 | 120.4° | 120.6° |
| C15 | C16 | C17 | 120.5° | 120.2° |
| C15 | C16 | H4 | 119.8° | 119.9° |
| C15 | C20 | N12 | 112.0° | 111.6° |
| C15 | C20 | C19 | 118.7° | 119.1° |
| C7 | C8 | C9 | 120.3° | 119.6° |
| C8 | C7 | H2 | 120.3° | 120.3° |
| C7 | C8 | H3 | 119.9° | 120.2° |
| C20 | N12 | C2 | 127.1° | 125.0° |
| N12 | C20 | C19 | 129.2° | 129.3° |
| N12 | C2 | C3 | 123.5° | 120.0° |
| N12 | C2 | O1 | 121.6° | 120.0° |
| C16 | C17 | C18 | 120.7° | 119.7° |
| C17 | C16 | H4 | 119.8° | 119.9° |
| C16 | C17 | H5 | 119.7° | 120.1° |
| N11 | C3 | C2 | 127.3° | 126.8° |
| C3 | N11 | C10 | 132.0° | 132.4° |
| C3 | C2 | O1 | 114.9° | 120.0° |
| N11 | C10 | C9 | 120.0° | 120.7° |
| N11 | C10 | H20 | 120.0° | 119.7° |
| C20 | C19 | C18 | 121.4° | 120.2° |
| C20 | C19 | H6 | 119.3° | 119.9° |
| C8 | C9 | C10 | 119.9° | 120.1° |
| C9 | C8 | H3 | 119.8° | 120.2° |
| C8 | C9 | H19 | 120.1° | 120.0° |
| C17 | C18 | C19 | 118.3° | 120.1° |
| C17 | C18 | N21 | 116.5° | 119.9° |
| C18 | C17 | H5 | 119.7° | 120.1° |
| C10 | C9 | H19 | 120.0° | 119.9° |
| C9 | C10 | H20 | 120.0° | 119.7° |
| C19 | C18 | N21 | 125.0° | 120.0° |
| C18 | C19 | H6 | 119.3° | 119.9° |
| C18 | N21 | C22 | 126.7° | 120.0° |
| C18 | N21 | H25 | 116.7° | 120.0° |
| N21 | C22 | O23 | 122.2° | 120.0° |
| N21 | C22 | C24 | 120.7° | 120.0° |
| C22 | N21 | H25 | 116.7° | 120.1° |
| O23 | C22 | C24 | 117.1° | 120.0° |
| C22 | C24 | C25 | 122.4° | 120.1° |
| C22 | C24 | C29 | 119.3° | 120.2° |
| C25 | C24 | C29 | 118.2° | 119.7° |
| C24 | C25 | C26 | 120.9° | 119.8° |
| C24 | C25 | H26 | 119.5° | 120.1° |
| C24 | C29 | C28 | 120.5° | 119.9° |
| C24 | C29 | H27 | 119.8° | 120.0° |
| C25 | C26 | C34 | 118.9° | 119.9° |
| C25 | C26 | C27 | 120.2° | 120.1° |
| C26 | C25 | H26 | 119.5° | 120.1° |
| C29 | C28 | C27 | 120.2° | 120.1° |
| C29 | C28 | C30 | 121.1° | 119.9° |
| C28 | C29 | H27 | 119.8° | 120.1° |
| C34 | C26 | C27 | 120.9° | 120.0° |
| C26 | C34 | N35 | 114.7° | 109.5° |
| C26 | C34 | H8 | 108.1° | 109.4° |
| C26 | C34 | H9 | 108.2° | 109.5° |
| C26 | C27 | C28 | 120.0° | 120.3° |
| C26 | C27 | H7 | 120.0° | 119.8° |
| C27 | C28 | C30 | 118.7° | 120.0° |
| C28 | C27 | H7 | 120.0° | 119.9° |
| C28 | C30 | F31 | 113.2° | 109.4° |
| C28 | C30 | F32 | 109.7° | 109.5° |
| C28 | C30 | F33 | 107.7° | 109.5° |
| C34 | N35 | C36 | 115.0° | 111.0° |
| C34 | N35 | C41 | 114.1° | 111.0° |
| N35 | C34 | H8 | 108.2° | 109.5° |
| N35 | C34 | H9 | 108.1° | 109.5° |
| F31 | C30 | F32 | 108.1° | 109.5° |
| F31 | C30 | F33 | 109.9° | 109.5° |
| N35 | C36 | C37 | 107.3° | 109.4° |
| C36 | N35 | C41 | 112.9° | 110.9° |
| N35 | C36 | H10 | 110.0° | 109.5° |
| N35 | C36 | H11 | 110.0° | 109.5° |
| C36 | C37 | N38 | 109.9° | 109.4° |
| C37 | C36 | H10 | 110.0° | 109.5° |
| C37 | C36 | H11 | 110.0° | 109.5° |
| C36 | C37 | H12 | 109.4° | 109.5° |
| C36 | C37 | H13 | 109.4° | 109.5° |
| F32 | C30 | F33 | 108.2° | 109.5° |
| N35 | C41 | C40 | 108.6° | 109.3° |
| N35 | C41 | H30 | 109.7° | 109.5° |
| N35 | C41 | H31 | 109.7° | 109.5° |
| C37 | N38 | C40 | 113.5° | 110.8° |
| C37 | N38 | C39 | 112.3° | 111.0° |
| N38 | C37 | H12 | 109.3° | 109.5° |
| N38 | C37 | H13 | 109.3° | 109.5° |
| C41 | C40 | N38 | 109.8° | 109.4° |
| C41 | C40 | H17 | 109.4° | 109.5° |
| C41 | C40 | H18 | 109.4° | 109.5° |
| C40 | C41 | H30 | 109.7° | 109.5° |
| C40 | C41 | H31 | 109.7° | 109.5° |
| C40 | N38 | C39 | 112.9° | 111.0° |
| N38 | C40 | H17 | 109.4° | 109.5° |
| N38 | C40 | H18 | 109.4° | 109.5° |
| N38 | C39 | H14 | 109.5° | 109.5° |
| N38 | C39 | H15 | 109.5° | 109.5° |
| N38 | C39 | H16 | 109.5° | 109.5° |
| H8 | C34 | H9 | 109.5° | 109.5° |
| H10 | C36 | H11 | 109.5° | 109.5° |
| H12 | C37 | H13 | 109.5° | 109.6° |
| H14 | C39 | H15 | 109.5° | 109.5° |
| H14 | C39 | H16 | 109.5° | 109.5° |
| H15 | C39 | H16 | 109.4° | 109.5° |
| H17 | C40 | H18 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.4° | 110.3° |
| H23 | C14 | H24 | 109.5° | 110.4° |
| H30 | C41 | H31 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H23 | 118.8° | 118.8° |
| C13 | C14 | C15 | H24 | 118.9° | 118.8° |
| C14 | C13 | N12 | H21 | 119.3° | 119.0° |
| C14 | C13 | N12 | H22 | 119.3° | 119.0° |
| C13 | C14 | C15 | C16 | 164.0° | 180.0° |
| C13 | C14 | C15 | C20 | 16.2° | 0.3° |
| C14 | C13 | N12 | C20 | 24.6° | 0.1° |
| C14 | C13 | N12 | C2 | 157.2° | 179.8° |
| C14 | C13 | H21 | H22 | 122.1° | 122.1° |
| C13 | C14 | H23 | H24 | 123.3° | 122.4° |
| C15 | C14 | C13 | N12 | 24.6° | 0.2° |
| C14 | C15 | C16 | C20 | 179.8° | 179.6° |
| C14 | C15 | C20 | N12 | 1.4° | 0.3° |
| C14 | C15 | C16 | C17 | 179.2° | 179.7° |
| C14 | C15 | C20 | C19 | 178.6° | 179.7° |
| C14 | C15 | C16 | H4 | 0.8° | 0.4° |
| C15 | C14 | C13 | H21 | 143.9° | 118.7° |
| C15 | C14 | C13 | H22 | 94.7° | 119.2° |
| C15 | C14 | H23 | H24 | 123.3° | 122.4° |
| C13 | N12 | C20 | C15 | 15.1° | 0.1° |
| C13 | N12 | C20 | C2 | 178.1° | 179.9° |
| C13 | N12 | C2 | C3 | 0.9° | 5.3° |
| C13 | N12 | C20 | C19 | 161.8° | 179.9° |
| C13 | N12 | C2 | O1 | 179.8° | 175.0° |
| N12 | C13 | H21 | H22 | 122.1° | 122.0° |
| N12 | C13 | C14 | H23 | 143.4° | 118.6° |
| N12 | C13 | C14 | H24 | 94.2° | 119.0° |
| N5 | C4 | C3 | H1 | 180.0° | 179.9° |
| C4 | N5 | C6 | C7 | 179.4° | 179.9° |
| C4 | N5 | C6 | N11 | 0.6° | 0.0° |
| N5 | C4 | C3 | N11 | 1.6° | 0.0° |
| N5 | C4 | C3 | C2 | 178.4° | 179.7° |
| C6 | N5 | C4 | C3 | 1.3° | 0.0° |
| N5 | C6 | C7 | N11 | 180.0° | 180.0° |
| N5 | C6 | C7 | C8 | 179.5° | 180.0° |
| N5 | C6 | N11 | C3 | 0.4° | 0.0° |
| N5 | C6 | N11 | C10 | 179.9° | 179.8° |
| C6 | N5 | C4 | H1 | 178.7° | 180.0° |
| N5 | C6 | C7 | H2 | 0.5° | 0.1° |
| C4 | C3 | N11 | C6 | 1.2° | 0.0° |
| C4 | C3 | C2 | N12 | 49.6° | 6.1° |
| C4 | C3 | N11 | C2 | 176.8° | 179.8° |
| C4 | C3 | N11 | C10 | 179.2° | 179.8° |
| C4 | C3 | C2 | O1 | 129.3° | 174.3° |
| C6 | C7 | C8 | H2 | 180.0° | 179.9° |
| C7 | C6 | N11 | C3 | 179.6° | 179.9° |
| C7 | C6 | N11 | C10 | 0.1° | 0.2° |
| C6 | C7 | C8 | C9 | 0.5° | 0.0° |
| C6 | C7 | C8 | H3 | 179.5° | 180.0° |
| N11 | C6 | C7 | C8 | 0.5° | 0.0° |
| C6 | N11 | C3 | C10 | 179.6° | 179.8° |
| C6 | N11 | C3 | C2 | 178.0° | 179.8° |
| C6 | N11 | C10 | C9 | 0.3° | 0.4° |
| N11 | C6 | C7 | H2 | 179.5° | 180.0° |
| C6 | N11 | C10 | H20 | 179.7° | 180.0° |
| C16 | C15 | C20 | N12 | 178.8° | 180.0° |
| C15 | C16 | C17 | H4 | 180.0° | 179.9° |
| C16 | C15 | C20 | C19 | 1.6° | 0.0° |
| C15 | C16 | C17 | C18 | 1.5° | 0.0° |
| C15 | C16 | C17 | H5 | 178.4° | 179.9° |
| C16 | C15 | C14 | H23 | 45.1° | 61.2° |
| C16 | C15 | C14 | H24 | 77.2° | 61.3° |
| C15 | C20 | N12 | C19 | 176.8° | 180.0° |
| C15 | C20 | N12 | C2 | 166.8° | 180.0° |
| C20 | C15 | C16 | C17 | 1.0° | 0.0° |
| C15 | C20 | C19 | C18 | 2.8° | 0.0° |
| C20 | C15 | C16 | H4 | 179.0° | 180.0° |
| C15 | C20 | C19 | H6 | 177.2° | 180.0° |
| C20 | C15 | C14 | H23 | 135.0° | 118.5° |
| C20 | C15 | C14 | H24 | 102.7° | 119.1° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.2° |
| C7 | C8 | C9 | H19 | 179.9° | 180.0° |
| C20 | N12 | C2 | C3 | 176.8° | 174.8° |
| C20 | N12 | C2 | O1 | 2.1° | 4.9° |
| N12 | C20 | C19 | C18 | 179.5° | 180.0° |
| N12 | C20 | C19 | H6 | 0.6° | 0.0° |
| C20 | N12 | C13 | H21 | 143.9° | 118.9° |
| C20 | N12 | C13 | H22 | 94.7° | 119.1° |
| N12 | C2 | C3 | N11 | 134.1° | 173.6° |
| N12 | C2 | C3 | O1 | 179.0° | 179.7° |
| C2 | N12 | C20 | C19 | 16.3° | 0.0° |
| C2 | N12 | C13 | H21 | 37.9° | 61.2° |
| C2 | N12 | C13 | H22 | 83.5° | 60.8° |
| C16 | C17 | C18 | H5 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 2.6° | 0.0° |
| C16 | C17 | C18 | N21 | 177.7° | 180.0° |
| N11 | C3 | C2 | O1 | 46.9° | 6.0° |
| C3 | N11 | C10 | C9 | 179.9° | 179.8° |
| N11 | C3 | C4 | H1 | 178.5° | 180.0° |
| C3 | N11 | C10 | H20 | 0.1° | 0.2° |
| C2 | C3 | N11 | C10 | 2.4° | 0.1° |
| C2 | C3 | C4 | H1 | 1.6° | 0.2° |
| N11 | C10 | C9 | C8 | 0.3° | 0.4° |
| N11 | C10 | C9 | H20 | 180.0° | 179.6° |
| N11 | C10 | C9 | H19 | 179.7° | 179.8° |
| C20 | C19 | C18 | C17 | 3.3° | 0.0° |
| C20 | C19 | C18 | H6 | 180.0° | 180.0° |
| C20 | C19 | C18 | N21 | 177.9° | 179.9° |
| C8 | C9 | C10 | H19 | 180.0° | 179.8° |
| C9 | C8 | C7 | H2 | 179.5° | 180.0° |
| C8 | C9 | C10 | H20 | 179.7° | 180.0° |
| C17 | C18 | C19 | N21 | 174.6° | 179.9° |
| C17 | C18 | N21 | C22 | 160.1° | 35.2° |
| C18 | C17 | C16 | H4 | 178.5° | 180.0° |
| C17 | C18 | C19 | H6 | 176.7° | 180.0° |
| C17 | C18 | N21 | H25 | 19.9° | 144.9° |
| C10 | C9 | C8 | H3 | 179.9° | 179.8° |
| C19 | C18 | N21 | C22 | 14.6° | 144.8° |
| C19 | C18 | C17 | H5 | 177.3° | 179.9° |
| C19 | C18 | N21 | H25 | 165.4° | 35.1° |
| C18 | N21 | C22 | H25 | 180.0° | 179.9° |
| C18 | N21 | C22 | O23 | 4.2° | 4.5° |
| C18 | N21 | C22 | C24 | 174.7° | 175.5° |
| N21 | C18 | C17 | H5 | 2.3° | 0.0° |
| N21 | C18 | C19 | H6 | 2.1° | 0.0° |
| N21 | C22 | O23 | C24 | 178.9° | 180.0° |
| N21 | C22 | C24 | C25 | 9.8° | 180.0° |
| N21 | C22 | C24 | C29 | 166.4° | 0.3° |
| O23 | C22 | C24 | C25 | 171.2° | 0.0° |
| O23 | C22 | C24 | C29 | 12.6° | 179.7° |
| O23 | C22 | N21 | H25 | 175.8° | 175.6° |
| C22 | C24 | C25 | C29 | 176.3° | 179.7° |
| C22 | C24 | C25 | C26 | 178.3° | 179.7° |
| C22 | C24 | C29 | C28 | 178.2° | 179.8° |
| C24 | C22 | N21 | H25 | 5.3° | 4.4° |
| C22 | C24 | C25 | H26 | 1.8° | 0.3° |
| C22 | C24 | C29 | H27 | 1.8° | 0.3° |
| C24 | C25 | C26 | H26 | 180.0° | 179.9° |
| C25 | C24 | C29 | C28 | 1.8° | 0.1° |
| C24 | C25 | C26 | C34 | 179.8° | 180.0° |
| C24 | C25 | C26 | C27 | 1.3° | 0.0° |
| C25 | C24 | C29 | H27 | 178.2° | 180.0° |
| C29 | C24 | C25 | C26 | 2.0° | 0.1° |
| C24 | C29 | C28 | H27 | 180.0° | 179.9° |
| C24 | C29 | C28 | C27 | 1.0° | 0.1° |
| C24 | C29 | C28 | C30 | 178.4° | 180.0° |
| C29 | C24 | C25 | H26 | 178.0° | 180.0° |
| C25 | C26 | C34 | C27 | 178.4° | 180.0° |
| C25 | C26 | C27 | C28 | 0.5° | 0.0° |
| C25 | C26 | C34 | N35 | 89.7° | 90.0° |
| C25 | C26 | C27 | H7 | 179.5° | 180.0° |
| C25 | C26 | C34 | H8 | 149.6° | 150.0° |
| C25 | C26 | C34 | H9 | 31.1° | 30.0° |
| C29 | C28 | C27 | C26 | 0.3° | 0.0° |
| C29 | C28 | C27 | C30 | 179.4° | 179.9° |
| C29 | C28 | C30 | F31 | 1.5° | 150.1° |
| C29 | C28 | C30 | F32 | 122.3° | 90.0° |
| C29 | C28 | C30 | F33 | 120.2° | 30.1° |
| C29 | C28 | C27 | H7 | 179.7° | 180.0° |
| C34 | C26 | C27 | C28 | 178.8° | 180.0° |
| C26 | C34 | N35 | H8 | 120.7° | 120.0° |
| C26 | C34 | N35 | H9 | 120.7° | 120.0° |
| C26 | C34 | N35 | C36 | 78.5° | 170.0° |
| C26 | C34 | N35 | C41 | 54.2° | 66.2° |
| C34 | C26 | C27 | H7 | 1.2° | 0.0° |
| C26 | C34 | H8 | H9 | 117.6° | 120.0° |
| C34 | C26 | C25 | H26 | 0.2° | 0.0° |
| C26 | C27 | C28 | H7 | 180.0° | 180.0° |
| C26 | C27 | C28 | C30 | 179.1° | 179.9° |
| C27 | C26 | C34 | N35 | 91.9° | 90.0° |
| C27 | C26 | C34 | H8 | 28.8° | 30.0° |
| C27 | C26 | C34 | H9 | 147.3° | 150.0° |
| C27 | C26 | C25 | H26 | 178.7° | 180.0° |
| C27 | C28 | C30 | F31 | 179.1° | 30.0° |
| C27 | C28 | C30 | F32 | 58.3° | 89.9° |
| C27 | C28 | C30 | F33 | 59.2° | 150.0° |
| C27 | C28 | C29 | H27 | 179.0° | 180.0° |
| C28 | C30 | F31 | F32 | 121.7° | 120.0° |
| C28 | C30 | F31 | F33 | 120.4° | 120.0° |
| C28 | C30 | F32 | F33 | 117.2° | 120.0° |
| C30 | C28 | C27 | H7 | 0.9° | 0.1° |
| C30 | C28 | C29 | H27 | 1.6° | 0.1° |
| C34 | N35 | C36 | C41 | 133.3° | 123.8° |
| C34 | N35 | C36 | C37 | 164.8° | 176.8° |
| C34 | N35 | C41 | C40 | 165.0° | 176.8° |
| N35 | C34 | H8 | H9 | 117.6° | 120.0° |
| C34 | N35 | C36 | H10 | 45.2° | 63.2° |
| C34 | N35 | C36 | H11 | 75.5° | 56.9° |
| C34 | N35 | C41 | H30 | 75.2° | 56.9° |
| C34 | N35 | C41 | H31 | 45.1° | 63.3° |
| F31 | C30 | F32 | F33 | 119.0° | 120.0° |
| N35 | C36 | C37 | H10 | 119.7° | 119.9° |
| N35 | C36 | C37 | H11 | 119.7° | 120.0° |
| N35 | C36 | C37 | N38 | 57.1° | 58.4° |
| C36 | N35 | C41 | C40 | 61.3° | 59.4° |
| C36 | N35 | C34 | H8 | 160.8° | 50.0° |
| C36 | N35 | C34 | H9 | 42.3° | 70.0° |
| N35 | C36 | H10 | H11 | 121.0° | 120.1° |
| N35 | C36 | C37 | H12 | 63.0° | 61.5° |
| N35 | C36 | C37 | H13 | 177.1° | 178.3° |
| C36 | N35 | C41 | H30 | 58.5° | 179.3° |
| C36 | N35 | C41 | H31 | 178.8° | 60.6° |
| C37 | C36 | N35 | C41 | 61.9° | 59.4° |
| C36 | C37 | N38 | H12 | 120.1° | 119.9° |
| C36 | C37 | N38 | H13 | 120.1° | 120.0° |
| C36 | C37 | N38 | C40 | 56.3° | 59.3° |
| C36 | C37 | N38 | C39 | 174.1° | 176.8° |
| C37 | C36 | H10 | H11 | 121.0° | 120.0° |
| C36 | C37 | H12 | H13 | 119.8° | 120.1° |
| N35 | C41 | C40 | H30 | 119.8° | 119.9° |
| N35 | C41 | C40 | H31 | 119.9° | 119.9° |
| N35 | C41 | C40 | N38 | 54.9° | 58.5° |
| C41 | N35 | C34 | H8 | 66.5° | 173.8° |
| C41 | N35 | C34 | H9 | 175.0° | 53.8° |
| C41 | N35 | C36 | H10 | 178.4° | 60.6° |
| C41 | N35 | C36 | H11 | 57.8° | 179.3° |
| N35 | C41 | C40 | H17 | 175.0° | 61.6° |
| N35 | C41 | C40 | H18 | 65.1° | 178.4° |
| N35 | C41 | H30 | H31 | 120.4° | 120.1° |
| C37 | N38 | C40 | C41 | 55.0° | 59.4° |
| C37 | N38 | C40 | C39 | 129.3° | 123.8° |
| N38 | C37 | C36 | H10 | 176.7° | 61.6° |
| N38 | C37 | C36 | H11 | 62.6° | 178.4° |
| N38 | C37 | H12 | H13 | 119.8° | 120.1° |
| C37 | N38 | C39 | H14 | 180.0° | 60.0° |
| C37 | N38 | C39 | H15 | 60.0° | 180.0° |
| C37 | N38 | C39 | H16 | 60.0° | 60.0° |
| C37 | N38 | C40 | H17 | 175.0° | 60.7° |
| C37 | N38 | C40 | H18 | 65.1° | 179.3° |
| C41 | C40 | N38 | H17 | 120.0° | 120.0° |
| C41 | C40 | N38 | H18 | 120.0° | 120.0° |
| C41 | C40 | N38 | C39 | 175.8° | 176.8° |
| C41 | C40 | H17 | H18 | 119.8° | 120.0° |
| C40 | C41 | H30 | H31 | 120.4° | 120.1° |
| C40 | N38 | C37 | H12 | 63.8° | 60.6° |
| C40 | N38 | C37 | H13 | 176.4° | 179.3° |
| C40 | N38 | C39 | H14 | 50.1° | 176.2° |
| C40 | N38 | C39 | H15 | 69.9° | 56.2° |
| C40 | N38 | C39 | H16 | 170.1° | 63.8° |
| N38 | C40 | H17 | H18 | 119.9° | 120.0° |
| N38 | C40 | C41 | H30 | 64.9° | 178.4° |
| N38 | C40 | C41 | H31 | 174.8° | 61.5° |
| C39 | N38 | C37 | H12 | 65.9° | 63.2° |
| C39 | N38 | C37 | H13 | 54.0° | 56.9° |
| N38 | C39 | H14 | H15 | 120.0° | 120.0° |
| N38 | C39 | H14 | H16 | 120.0° | 120.0° |
| N38 | C39 | H15 | H16 | 120.0° | 120.0° |
| C39 | N38 | C40 | H17 | 55.7° | 63.2° |
| C39 | N38 | C40 | H18 | 64.2° | 56.8° |
| H2 | C7 | C8 | H3 | 0.5° | 0.1° |
| H3 | C8 | C9 | H19 | 0.1° | 0.0° |
| H4 | C16 | C17 | H5 | 1.6° | 0.0° |
| H10 | C36 | C37 | H12 | 56.7° | 178.5° |
| H10 | C36 | C37 | H13 | 63.2° | 58.4° |
| H11 | C36 | C37 | H12 | 177.3° | 58.5° |
| H11 | C36 | C37 | H13 | 57.4° | 61.7° |
| H14 | C39 | H15 | H16 | 120.0° | 120.0° |
| H17 | C40 | C41 | H30 | 55.1° | 58.4° |
| H17 | C40 | C41 | H31 | 65.1° | 178.5° |
| H18 | C40 | C41 | H30 | 175.0° | 61.7° |
| H18 | C40 | C41 | H31 | 54.8° | 58.5° |
| H19 | C9 | C10 | H20 | 0.3° | 0.2° |
| H21 | C13 | C14 | H23 | 97.3° | 122.5° |
| H21 | C13 | C14 | H24 | 25.1° | 0.0° |
| H22 | C13 | C14 | H23 | 24.1° | 0.4° |
| H22 | C13 | C14 | H24 | 146.5° | 122.0° |
