A1J3A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | sing | 1.53Å | 1.50Å | |
| C7 | O8 | sing | 1.44Å | 1.42Å | |
| C6 | O5 | sing | 1.43Å | 1.44Å | |
| O5 | C4 | sing | 1.36Å | 1.39Å | |
| C9 | O8 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| O2 | C1 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | O11 | sing | 1.43Å | 1.44Å | |
| C33 | N32 | sing | 1.47Å | 1.49Å | |
| C3 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| O11 | C36 | sing | 1.36Å | 1.37Å | |
| N13 | C12 | sing | 1.36Å | 1.36Å | |
| N13 | C14 | sing | 1.34Å | 1.35Å | |
| C34 | N32 | sing | 1.47Å | 1.50Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C31 | N32 | sing | 1.47Å | 1.50Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C12 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | C37 | doub | 1.37Å | 1.36Å | Aromatic |
| C36 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| C37 | C38 | sing | 1.40Å | 1.41Å | Aromatic |
| N17 | C16 | trip | 1.14Å | 1.14Å | |
| C14 | C38 | doub | 1.43Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| O23 | C22 | sing | 1.36Å | 1.37Å | |
| O23 | C24 | sing | 1.43Å | 1.44Å | |
| C16 | C15 | sing | 1.43Å | 1.44Å | |
| C38 | C20 | sing | 1.41Å | 1.42Å | Aromatic |
| N29 | C35 | sing | 1.47Å | 1.50Å | |
| N29 | C30 | sing | 1.47Å | 1.49Å | |
| N29 | C28 | sing | 1.47Å | 1.51Å | |
| C22 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.48Å | |
| C15 | C18 | doub | 1.41Å | 1.40Å | Aromatic |
| C41 | C40 | doub | 1.38Å | 1.38Å | Aromatic |
| O26 | C25 | sing | 1.43Å | 1.41Å | |
| O26 | C27 | sing | 1.43Å | 1.42Å | |
| C20 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | N19 | doub | 1.34Å | 1.37Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C18 | N19 | sing | 1.31Å | 1.31Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| N13 | H12 | sing | 0.98Å | 1.00Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.08Å | 1.08Å | |
| C39 | H37 | sing | 1.08Å | 1.08Å | |
| C40 | H38 | sing | 1.08Å | 1.08Å | |
| C41 | H39 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | O8 | 109.3° | 109.2° |
| C7 | C6 | O5 | 108.6° | 110.1° |
| C7 | C6 | H4 | 109.7° | 108.9° |
| C7 | C6 | H5 | 109.7° | 109.5° |
| C6 | C7 | H6 | 109.5° | 109.8° |
| C6 | C7 | H7 | 109.5° | 109.3° |
| C7 | O8 | C9 | 116.0° | 112.7° |
| O8 | C7 | H6 | 109.5° | 109.8° |
| O8 | C7 | H7 | 109.5° | 109.4° |
| C6 | O5 | C4 | 117.3° | 117.6° |
| O5 | C6 | H4 | 109.7° | 109.5° |
| O5 | C6 | H5 | 109.7° | 109.4° |
| O5 | C4 | C3 | 122.1° | 120.4° |
| O5 | C4 | C12 | 118.3° | 119.4° |
| O8 | C9 | C10 | 108.5° | 110.4° |
| O8 | C9 | H8 | 109.7° | 109.3° |
| O8 | C9 | H9 | 109.7° | 109.3° |
| C9 | C10 | O11 | 110.5° | 108.6° |
| C10 | C9 | H8 | 109.7° | 109.2° |
| C10 | C9 | H9 | 109.7° | 109.4° |
| C9 | C10 | H10 | 109.2° | 109.9° |
| C9 | C10 | H11 | 109.2° | 109.5° |
| C1 | O2 | C3 | 117.9° | 117.0° |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H2 | 109.5° | 109.5° |
| O2 | C1 | H3 | 109.5° | 109.5° |
| O2 | C3 | C4 | 115.6° | 120.5° |
| O2 | C3 | C41 | 124.9° | 119.5° |
| C3 | C4 | C12 | 119.5° | 120.2° |
| C4 | C3 | C41 | 119.5° | 119.9° |
| C4 | C12 | N13 | 115.8° | 117.6° |
| C4 | C12 | C39 | 120.6° | 119.1° |
| C10 | O11 | C36 | 119.2° | 115.4° |
| O11 | C10 | H10 | 109.2° | 110.0° |
| O11 | C10 | H11 | 109.2° | 109.2° |
| C33 | N32 | C34 | 111.7° | 111.0° |
| C33 | N32 | C31 | 111.6° | 111.0° |
| N32 | C33 | H29 | 109.5° | 109.4° |
| N32 | C33 | H30 | 109.5° | 109.5° |
| N32 | C33 | H31 | 109.5° | 109.4° |
| C3 | C41 | C40 | 120.4° | 120.1° |
| C3 | C41 | H39 | 119.8° | 119.9° |
| O11 | C36 | C37 | 124.9° | 118.7° |
| O11 | C36 | C22 | 115.1° | 120.7° |
| C12 | N13 | C14 | 127.8° | 138.8° |
| N13 | C12 | C39 | 123.6° | 123.4° |
| C12 | N13 | H12 | 116.1° | 110.4° |
| N13 | C14 | C38 | 117.9° | 116.4° |
| N13 | C14 | C15 | 124.1° | 126.9° |
| C14 | N13 | H12 | 116.1° | 110.8° |
| N32 | C34 | C35 | 111.0° | 109.3° |
| C34 | N32 | C31 | 110.4° | 110.9° |
| N32 | C34 | H32 | 109.1° | 109.5° |
| N32 | C34 | H33 | 109.1° | 109.6° |
| C34 | C35 | N29 | 108.9° | 109.4° |
| C35 | C34 | H32 | 109.1° | 109.5° |
| C35 | C34 | H33 | 109.1° | 109.4° |
| C34 | C35 | H34 | 109.6° | 109.5° |
| C34 | C35 | H35 | 109.6° | 109.5° |
| N32 | C31 | C30 | 110.9° | 109.4° |
| N32 | C31 | H26 | 109.1° | 109.4° |
| N32 | C31 | H27 | 109.1° | 109.5° |
| C31 | C30 | N29 | 108.4° | 109.3° |
| C31 | C30 | H24 | 109.8° | 109.5° |
| C31 | C30 | H25 | 109.7° | 109.5° |
| C30 | C31 | H26 | 109.1° | 109.5° |
| C30 | C31 | H27 | 109.1° | 109.5° |
| C12 | C39 | C40 | 119.2° | 120.6° |
| C12 | C39 | H37 | 120.4° | 120.0° |
| C37 | C36 | C22 | 120.0° | 120.6° |
| C36 | C37 | C38 | 120.8° | 119.7° |
| C36 | C37 | H36 | 119.6° | 119.6° |
| C36 | C22 | O23 | 114.3° | 119.8° |
| C36 | C22 | C21 | 120.1° | 120.7° |
| C37 | C38 | C14 | 122.5° | 119.8° |
| C37 | C38 | C20 | 118.9° | 119.9° |
| C38 | C37 | H36 | 119.6° | 120.7° |
| N17 | C16 | C15 | 177.3° | 179.9° |
| C38 | C14 | C15 | 117.1° | 116.7° |
| C14 | C38 | C20 | 118.5° | 120.3° |
| C14 | C15 | C16 | 123.8° | 121.7° |
| C14 | C15 | C18 | 119.5° | 119.0° |
| C22 | O23 | C24 | 120.2° | 117.0° |
| O23 | C22 | C21 | 125.4° | 119.5° |
| O23 | C24 | C25 | 109.3° | 109.5° |
| O23 | C24 | H15 | 109.5° | 109.5° |
| O23 | C24 | H16 | 109.5° | 109.5° |
| C16 | C15 | C18 | 116.5° | 119.4° |
| C38 | C20 | C21 | 119.1° | 119.6° |
| C38 | C20 | N19 | 122.8° | 119.7° |
| C35 | N29 | C30 | 110.0° | 110.9° |
| C35 | N29 | C28 | 113.8° | 111.0° |
| N29 | C35 | H34 | 109.6° | 109.5° |
| N29 | C35 | H35 | 109.6° | 109.5° |
| C30 | N29 | C28 | 115.9° | 111.0° |
| N29 | C30 | H24 | 109.7° | 109.5° |
| N29 | C30 | H25 | 109.7° | 109.5° |
| N29 | C28 | C27 | 118.2° | 109.5° |
| N29 | C28 | H21 | 107.3° | 109.4° |
| N29 | C28 | H22 | 107.2° | 109.4° |
| C22 | C21 | C20 | 120.5° | 119.4° |
| C22 | C21 | H14 | 119.7° | 120.4° |
| C24 | C25 | O26 | 110.9° | 109.5° |
| C25 | C24 | H15 | 109.5° | 109.5° |
| C25 | C24 | H16 | 109.5° | 109.5° |
| C24 | C25 | H17 | 109.1° | 109.5° |
| C24 | C25 | H18 | 109.1° | 109.5° |
| C15 | C18 | N19 | 124.6° | 122.8° |
| C15 | C18 | H13 | 117.7° | 118.3° |
| C41 | C40 | C39 | 120.8° | 120.0° |
| C41 | C40 | H38 | 119.6° | 120.0° |
| C40 | C41 | H39 | 119.8° | 120.0° |
| C25 | O26 | C27 | 112.0° | 114.0° |
| O26 | C25 | H17 | 109.1° | 109.4° |
| O26 | C25 | H18 | 109.1° | 109.5° |
| O26 | C27 | C28 | 112.0° | 109.5° |
| O26 | C27 | H19 | 108.8° | 109.5° |
| O26 | C27 | H20 | 108.9° | 109.5° |
| C21 | C20 | N19 | 117.7° | 120.7° |
| C20 | C21 | H14 | 119.7° | 120.3° |
| C20 | N19 | C18 | 117.4° | 121.4° |
| C28 | C27 | H19 | 108.8° | 109.4° |
| C28 | C27 | H20 | 108.8° | 109.5° |
| C27 | C28 | H21 | 107.2° | 109.5° |
| C27 | C28 | H22 | 107.2° | 109.5° |
| N19 | C18 | H13 | 117.7° | 118.9° |
| C40 | C39 | H37 | 120.4° | 119.4° |
| C39 | C40 | H38 | 119.6° | 120.1° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.4° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| H8 | C9 | H9 | 109.5° | 109.3° |
| H10 | C10 | H11 | 109.5° | 109.6° |
| H15 | C24 | H16 | 109.4° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H19 | C27 | H20 | 109.5° | 109.5° |
| H21 | C28 | H22 | 109.5° | 109.5° |
| H24 | C30 | H25 | 109.5° | 109.5° |
| H26 | C31 | H27 | 109.4° | 109.5° |
| H29 | C33 | H30 | 109.4° | 109.5° |
| H29 | C33 | H31 | 109.4° | 109.5° |
| H30 | C33 | H31 | 109.5° | 109.5° |
| H32 | C34 | H33 | 109.5° | 109.5° |
| H34 | C35 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | O8 | H6 | 120.0° | 120.4° |
| C6 | C7 | O8 | H7 | 120.0° | 119.5° |
| C7 | C6 | O5 | H4 | 119.9° | 119.7° |
| C7 | C6 | O5 | H5 | 119.9° | 120.4° |
| C7 | C6 | O5 | C4 | 129.4° | 97.8° |
| C6 | C7 | O8 | C9 | 173.9° | 170.4° |
| C7 | C6 | H4 | H5 | 120.4° | 119.7° |
| C6 | C7 | H6 | H7 | 120.0° | 119.9° |
| O8 | C7 | C6 | O5 | 82.4° | 62.1° |
| C7 | O8 | C9 | C10 | 162.3° | 152.0° |
| O8 | C7 | C6 | H4 | 37.4° | 177.8° |
| O8 | C7 | C6 | H5 | 157.7° | 58.2° |
| O8 | C7 | H6 | H7 | 120.1° | 120.1° |
| C7 | O8 | C9 | H8 | 77.9° | 31.9° |
| C7 | O8 | C9 | H9 | 42.4° | 87.7° |
| C6 | O5 | C4 | C3 | 61.3° | 56.2° |
| C6 | O5 | C4 | C12 | 120.2° | 122.6° |
| O5 | C6 | H4 | H5 | 120.4° | 119.9° |
| O5 | C6 | C7 | H6 | 37.6° | 58.3° |
| O5 | C6 | C7 | H7 | 157.6° | 178.3° |
| O5 | C4 | C3 | O2 | 5.4° | 2.9° |
| O5 | C4 | C3 | C12 | 178.6° | 178.7° |
| O5 | C4 | C3 | C41 | 177.7° | 176.6° |
| O5 | C4 | C12 | N13 | 4.9° | 5.3° |
| O5 | C4 | C12 | C39 | 177.8° | 175.6° |
| C4 | O5 | C6 | H4 | 9.5° | 21.9° |
| C4 | O5 | C6 | H5 | 110.8° | 141.8° |
| O8 | C9 | C10 | H8 | 119.9° | 120.2° |
| O8 | C9 | C10 | H9 | 119.9° | 120.2° |
| O8 | C9 | C10 | O11 | 114.9° | 113.6° |
| C9 | O8 | C7 | H6 | 66.2° | 69.2° |
| C9 | O8 | C7 | H7 | 53.9° | 50.9° |
| O8 | C9 | H8 | H9 | 120.4° | 119.5° |
| O8 | C9 | C10 | H10 | 124.9° | 126.1° |
| O8 | C9 | C10 | H11 | 5.2° | 5.6° |
| C9 | C10 | O11 | H10 | 120.1° | 120.3° |
| C9 | C10 | O11 | H11 | 120.1° | 119.4° |
| C9 | C10 | O11 | C36 | 69.7° | 105.4° |
| C10 | C9 | H8 | H9 | 120.4° | 119.6° |
| C9 | C10 | H10 | H11 | 119.5° | 120.4° |
| C1 | O2 | C3 | C4 | 159.0° | 179.5° |
| C1 | O2 | C3 | C41 | 17.7° | 0.0° |
| O2 | C1 | H1 | H2 | 120.0° | 120.0° |
| O2 | C1 | H1 | H3 | 120.0° | 120.0° |
| O2 | C1 | H2 | H3 | 120.0° | 120.0° |
| O2 | C3 | C4 | C41 | 176.9° | 179.5° |
| O2 | C3 | C4 | C12 | 176.0° | 178.4° |
| O2 | C3 | C41 | C40 | 176.0° | 179.8° |
| C3 | O2 | C1 | H1 | 180.0° | 60.0° |
| C3 | O2 | C1 | H2 | 60.0° | 180.0° |
| C3 | O2 | C1 | H3 | 60.0° | 60.0° |
| O2 | C3 | C41 | H39 | 4.0° | 0.8° |
| C3 | C4 | C12 | N13 | 176.5° | 175.9° |
| C3 | C4 | C12 | C39 | 0.8° | 3.2° |
| C4 | C3 | C41 | C40 | 0.6° | 0.7° |
| C4 | C3 | C41 | H39 | 179.4° | 178.7° |
| C12 | C4 | C3 | C41 | 0.9° | 2.1° |
| C4 | C12 | N13 | C39 | 177.2° | 179.1° |
| C4 | C12 | N13 | C14 | 176.2° | 165.7° |
| C4 | C12 | C39 | C40 | 0.5° | 2.9° |
| C4 | C12 | N13 | H12 | 3.8° | 11.6° |
| C4 | C12 | C39 | H37 | 179.5° | 175.8° |
| C10 | O11 | C36 | C37 | 5.0° | 50.8° |
| C10 | O11 | C36 | C22 | 177.7° | 129.8° |
| O11 | C10 | C9 | H8 | 4.9° | 6.6° |
| O11 | C10 | C9 | H9 | 125.2° | 126.2° |
| O11 | C10 | H10 | H11 | 119.6° | 120.0° |
| C33 | N32 | C34 | C31 | 124.7° | 123.9° |
| C33 | N32 | C34 | C35 | 179.3° | 176.8° |
| C33 | N32 | C31 | C30 | 178.3° | 176.8° |
| C33 | N32 | C31 | H26 | 58.1° | 63.2° |
| C33 | N32 | C31 | H27 | 61.5° | 56.8° |
| N32 | C33 | H29 | H30 | 120.0° | 120.0° |
| N32 | C33 | H29 | H31 | 120.0° | 120.0° |
| N32 | C33 | H30 | H31 | 120.0° | 120.0° |
| C33 | N32 | C34 | H32 | 60.4° | 63.2° |
| C33 | N32 | C34 | H33 | 59.1° | 56.9° |
| C3 | C41 | C40 | H39 | 180.0° | 179.4° |
| C3 | C41 | C40 | C39 | 0.2° | 0.4° |
| C3 | C41 | C40 | H38 | 179.8° | 179.7° |
| O11 | C36 | C37 | C22 | 177.1° | 179.4° |
| O11 | C36 | C37 | C38 | 171.4° | 177.2° |
| O11 | C36 | C22 | O23 | 2.1° | 2.2° |
| O11 | C36 | C22 | C21 | 178.8° | 177.6° |
| C36 | O11 | C10 | H10 | 170.1° | 134.3° |
| C36 | O11 | C10 | H11 | 50.4° | 14.0° |
| O11 | C36 | C37 | H36 | 8.6° | 3.8° |
| C12 | N13 | C14 | H12 | 180.0° | 177.4° |
| C12 | N13 | C14 | C38 | 123.1° | 145.9° |
| C12 | N13 | C14 | C15 | 67.7° | 36.8° |
| N13 | C12 | C39 | C40 | 176.6° | 176.2° |
| N13 | C12 | C39 | H37 | 3.4° | 5.1° |
| C14 | N13 | C12 | C39 | 1.0° | 13.4° |
| N13 | C14 | C38 | C37 | 6.8° | 1.4° |
| N13 | C14 | C38 | C15 | 169.9° | 177.6° |
| N13 | C14 | C15 | C16 | 6.9° | 4.5° |
| N13 | C14 | C38 | C20 | 169.0° | 178.7° |
| N13 | C14 | C15 | C18 | 169.0° | 177.0° |
| N32 | C34 | C35 | H32 | 120.2° | 120.0° |
| N32 | C34 | C35 | H33 | 120.2° | 120.0° |
| C34 | N32 | C31 | C30 | 56.9° | 59.3° |
| N32 | C34 | C35 | N29 | 57.8° | 58.4° |
| C34 | N32 | C31 | H26 | 177.1° | 60.7° |
| C34 | N32 | C31 | H27 | 63.3° | 179.3° |
| C34 | N32 | C33 | H29 | 180.0° | 176.2° |
| C34 | N32 | C33 | H30 | 60.0° | 56.2° |
| C34 | N32 | C33 | H31 | 60.0° | 63.8° |
| N32 | C34 | H32 | H33 | 119.3° | 120.1° |
| N32 | C34 | C35 | H34 | 177.7° | 61.5° |
| N32 | C34 | C35 | H35 | 62.1° | 178.4° |
| C35 | C34 | N32 | C31 | 55.9° | 59.3° |
| C34 | C35 | N29 | H34 | 119.9° | 120.0° |
| C34 | C35 | N29 | H35 | 119.9° | 120.0° |
| C34 | C35 | N29 | C30 | 61.0° | 59.3° |
| C34 | C35 | N29 | C28 | 167.1° | 176.8° |
| C35 | C34 | H32 | H33 | 119.3° | 120.0° |
| C34 | C35 | H34 | H35 | 120.3° | 120.1° |
| N32 | C31 | C30 | H26 | 120.2° | 119.9° |
| N32 | C31 | C30 | H27 | 120.2° | 120.0° |
| N32 | C31 | C30 | N29 | 59.5° | 58.4° |
| N32 | C31 | C30 | H24 | 60.4° | 178.3° |
| N32 | C31 | C30 | H25 | 179.3° | 61.6° |
| N32 | C31 | H26 | H27 | 119.3° | 120.0° |
| C31 | N32 | C33 | H29 | 55.9° | 60.0° |
| C31 | N32 | C33 | H30 | 175.9° | 180.0° |
| C31 | N32 | C33 | H31 | 64.1° | 60.0° |
| C31 | N32 | C34 | H32 | 64.3° | 60.6° |
| C31 | N32 | C34 | H33 | 176.1° | 179.3° |
| C31 | C30 | N29 | C35 | 61.7° | 59.3° |
| C31 | C30 | N29 | H24 | 119.8° | 120.0° |
| C31 | C30 | N29 | H25 | 119.8° | 119.9° |
| C31 | C30 | N29 | C28 | 167.5° | 176.8° |
| C31 | C30 | H24 | H25 | 120.5° | 120.1° |
| C30 | C31 | H26 | H27 | 119.4° | 120.1° |
| C12 | C39 | C40 | C41 | 0.2° | 1.5° |
| C12 | C39 | C40 | H37 | 180.0° | 178.7° |
| C39 | C12 | N13 | H12 | 179.0° | 169.3° |
| C12 | C39 | C40 | H38 | 179.8° | 178.6° |
| C36 | C37 | C38 | H36 | 180.0° | 179.1° |
| C36 | C37 | C38 | C14 | 167.3° | 178.0° |
| C37 | C36 | C22 | O23 | 175.3° | 177.2° |
| C36 | C37 | C38 | C20 | 8.5° | 2.0° |
| C37 | C36 | C22 | C21 | 1.4° | 3.0° |
| C22 | C36 | C37 | C38 | 5.8° | 3.4° |
| C36 | C22 | O23 | C21 | 176.5° | 179.8° |
| C36 | C22 | O23 | C24 | 172.5° | 179.8° |
| C36 | C22 | C21 | C20 | 5.7° | 1.0° |
| C36 | C22 | C21 | H14 | 174.3° | 178.7° |
| C22 | C36 | C37 | H36 | 174.3° | 175.6° |
| C37 | C38 | C14 | C20 | 175.8° | 179.9° |
| C37 | C38 | C14 | C15 | 176.7° | 176.2° |
| C37 | C38 | C20 | C21 | 4.2° | 0.0° |
| C37 | C38 | C20 | N19 | 177.3° | 180.0° |
| N17 | C16 | C15 | C14 | 29.5° | 153.0° |
| N17 | C16 | C15 | C18 | 154.5° | 28.6° |
| C38 | C14 | C15 | C16 | 176.1° | 172.8° |
| C38 | C14 | C15 | C18 | 0.2° | 5.7° |
| C14 | C38 | C20 | C21 | 171.7° | 179.9° |
| C14 | C38 | C20 | N19 | 1.3° | 0.1° |
| C38 | C14 | N13 | H12 | 56.9° | 36.7° |
| C14 | C38 | C37 | H36 | 12.7° | 3.0° |
| C14 | C15 | C16 | C18 | 176.0° | 178.4° |
| C15 | C14 | C38 | C20 | 0.9° | 3.7° |
| C14 | C15 | C18 | N19 | 0.1° | 4.2° |
| C15 | C14 | N13 | H12 | 112.3° | 140.6° |
| C14 | C15 | C18 | H13 | 179.9° | 175.8° |
| C22 | O23 | C24 | C25 | 130.6° | 180.0° |
| O23 | C22 | C21 | C20 | 170.6° | 179.2° |
| O23 | C22 | C21 | H14 | 9.4° | 1.1° |
| C22 | O23 | C24 | H15 | 10.6° | 60.0° |
| C22 | O23 | C24 | H16 | 109.4° | 60.0° |
| C24 | O23 | C22 | C21 | 4.0° | 0.0° |
| O23 | C24 | C25 | H15 | 120.0° | 120.0° |
| O23 | C24 | C25 | H16 | 120.0° | 120.0° |
| O23 | C24 | C25 | O26 | 61.6° | 65.0° |
| O23 | C24 | H15 | H16 | 120.1° | 120.0° |
| O23 | C24 | C25 | H17 | 58.6° | 175.0° |
| O23 | C24 | C25 | H18 | 178.1° | 55.0° |
| C16 | C15 | C18 | N19 | 176.1° | 174.3° |
| C16 | C15 | C18 | H13 | 3.9° | 5.7° |
| C38 | C20 | C21 | C22 | 2.8° | 0.4° |
| C38 | C20 | C21 | N19 | 173.4° | 180.0° |
| C38 | C20 | N19 | C18 | 1.0° | 1.9° |
| C38 | C20 | C21 | H14 | 177.2° | 179.9° |
| C20 | C38 | C37 | H36 | 171.5° | 177.1° |
| C35 | N29 | C30 | C28 | 130.8° | 123.9° |
| C35 | N29 | C28 | C27 | 137.3° | 170.0° |
| C35 | N29 | C28 | H21 | 101.4° | 69.9° |
| C35 | N29 | C28 | H22 | 16.1° | 50.0° |
| C35 | N29 | C30 | H24 | 58.1° | 179.3° |
| C35 | N29 | C30 | H25 | 178.5° | 60.6° |
| N29 | C35 | C34 | H32 | 62.4° | 61.6° |
| N29 | C35 | C34 | H33 | 178.0° | 178.4° |
| N29 | C35 | H34 | H35 | 120.3° | 120.0° |
| C30 | N29 | C28 | C27 | 8.3° | 66.2° |
| C30 | N29 | C28 | H21 | 129.6° | 53.8° |
| C30 | N29 | C28 | H22 | 112.9° | 173.8° |
| N29 | C30 | H24 | H25 | 120.5° | 120.0° |
| N29 | C30 | C31 | H26 | 179.7° | 61.6° |
| N29 | C30 | C31 | H27 | 60.8° | 178.4° |
| C30 | N29 | C35 | H34 | 179.1° | 60.7° |
| C30 | N29 | C35 | H35 | 58.9° | 179.3° |
| N29 | C28 | C27 | O26 | 63.9° | 65.0° |
| N29 | C28 | C27 | H21 | 121.3° | 120.0° |
| N29 | C28 | C27 | H22 | 121.2° | 120.0° |
| N29 | C28 | C27 | H19 | 56.5° | 55.0° |
| N29 | C28 | C27 | H20 | 175.8° | 175.0° |
| N29 | C28 | H21 | H22 | 116.0° | 119.9° |
| C28 | N29 | C30 | H24 | 72.7° | 56.8° |
| C28 | N29 | C30 | H25 | 47.7° | 63.3° |
| C28 | N29 | C35 | H34 | 47.2° | 63.2° |
| C28 | N29 | C35 | H35 | 73.0° | 56.9° |
| C22 | C21 | C20 | H14 | 180.0° | 179.7° |
| C22 | C21 | C20 | N19 | 170.6° | 179.6° |
| C24 | C25 | O26 | H17 | 120.2° | 120.0° |
| C24 | C25 | O26 | H18 | 120.2° | 120.0° |
| C24 | C25 | O26 | C27 | 165.0° | 180.0° |
| C25 | C24 | H15 | H16 | 120.0° | 120.0° |
| C24 | C25 | H17 | H18 | 119.3° | 120.0° |
| C15 | C18 | N19 | C20 | 0.3° | 0.2° |
| C15 | C18 | N19 | H13 | 180.0° | 180.0° |
| C41 | C40 | C39 | H38 | 180.0° | 179.9° |
| C41 | C40 | C39 | H37 | 179.8° | 177.2° |
| C25 | O26 | C27 | C28 | 176.2° | 180.0° |
| O26 | C25 | C24 | H15 | 178.4° | 55.0° |
| O26 | C25 | C24 | H16 | 58.4° | 175.0° |
| O26 | C25 | H17 | H18 | 119.3° | 120.0° |
| C25 | O26 | C27 | H19 | 55.9° | 60.1° |
| C25 | O26 | C27 | H20 | 63.4° | 60.0° |
| O26 | C27 | C28 | H19 | 120.4° | 120.0° |
| O26 | C27 | C28 | H20 | 120.4° | 120.0° |
| C27 | O26 | C25 | H17 | 44.8° | 60.0° |
| C27 | O26 | C25 | H18 | 74.7° | 60.0° |
| O26 | C27 | H19 | H20 | 118.9° | 120.0° |
| O26 | C27 | C28 | H21 | 57.4° | 175.1° |
| O26 | C27 | C28 | H22 | 174.9° | 55.0° |
| C21 | C20 | N19 | C18 | 172.2° | 178.1° |
| C20 | N19 | C18 | H13 | 179.8° | 179.8° |
| N19 | C20 | C21 | H14 | 9.4° | 0.1° |
| C28 | C27 | H19 | H20 | 118.8° | 120.0° |
| C27 | C28 | H21 | H22 | 116.0° | 120.1° |
| C39 | C40 | C41 | H39 | 179.8° | 179.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C6 | C7 | H6 | 157.4° | 61.8° |
| H4 | C6 | C7 | H7 | 82.5° | 58.2° |
| H5 | C6 | C7 | H6 | 82.3° | 178.6° |
| H5 | C6 | C7 | H7 | 37.8° | 61.4° |
| H8 | C9 | C10 | H10 | 115.2° | 113.8° |
| H8 | C9 | C10 | H11 | 125.1° | 125.8° |
| H9 | C9 | C10 | H10 | 5.1° | 5.8° |
| H9 | C9 | C10 | H11 | 114.6° | 114.7° |
| H15 | C24 | C25 | H17 | 61.4° | 65.0° |
| H15 | C24 | C25 | H18 | 58.1° | 175.0° |
| H16 | C24 | C25 | H17 | 178.6° | 55.0° |
| H16 | C24 | C25 | H18 | 61.8° | 65.0° |
| H19 | C27 | C28 | H21 | 177.8° | 65.0° |
| H19 | C27 | C28 | H22 | 64.7° | 175.0° |
| H20 | C27 | C28 | H21 | 63.0° | 55.0° |
| H20 | C27 | C28 | H22 | 54.5° | 65.0° |
| H24 | C30 | C31 | H26 | 59.8° | 58.4° |
| H24 | C30 | C31 | H27 | 179.4° | 61.7° |
| H25 | C30 | C31 | H26 | 60.5° | 178.5° |
| H25 | C30 | C31 | H27 | 59.1° | 58.4° |
| H29 | C33 | H30 | H31 | 119.9° | 120.1° |
| H32 | C34 | C35 | H34 | 57.5° | 178.5° |
| H32 | C34 | C35 | H35 | 177.7° | 58.4° |
| H33 | C34 | C35 | H34 | 62.1° | 58.5° |
| H33 | C34 | C35 | H35 | 58.1° | 61.6° |
| H37 | C39 | C40 | H38 | 0.2° | 2.7° |
| H38 | C40 | C41 | H39 | 0.2° | 0.9° |
