1J3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.44Å | |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| O32 | C31 | doub | 1.22Å | 1.21Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C31 | C5 | sing | 1.48Å | 1.49Å | |
| C31 | N33 | sing | 1.35Å | 1.35Å | |
| C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | N9 | sing | 1.39Å | 1.40Å | |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| N9 | C10 | sing | 1.39Å | 1.38Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| N33 | N34 | sing | 1.37Å | 1.37Å | |
| N34 | C35 | sing | 1.47Å | 1.48Å | |
| N34 | C40 | sing | 1.47Å | 1.48Å | |
| N11 | C10 | doub | 1.32Å | 1.32Å | Aromatic |
| N11 | C12 | sing | 1.33Å | 1.34Å | Aromatic |
| C10 | N28 | sing | 1.33Å | 1.32Å | Aromatic |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | N37 | sing | 1.47Å | 1.47Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C39 | N37 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| N37 | C38 | sing | 1.47Å | 1.47Å | |
| N28 | C27 | doub | 1.33Å | 1.32Å | Aromatic |
| C13 | C27 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | N14 | sing | 1.40Å | 1.41Å | |
| C27 | N21 | sing | 1.38Å | 1.40Å | |
| C15 | N14 | sing | 1.47Å | 1.47Å | |
| N14 | C16 | sing | 1.35Å | 1.36Å | |
| C22 | N21 | sing | 1.47Å | 1.48Å | |
| C22 | C26 | sing | 1.54Å | 1.54Å | |
| C22 | C23 | sing | 1.55Å | 1.56Å | |
| N21 | C20 | sing | 1.47Å | 1.46Å | |
| C26 | C25 | sing | 1.54Å | 1.53Å | |
| C23 | C24 | sing | 1.55Å | 1.55Å | |
| C16 | O17 | doub | 1.21Å | 1.24Å | |
| C16 | C18 | sing | 1.51Å | 1.50Å | |
| C24 | C25 | sing | 1.54Å | 1.53Å | |
| C20 | C18 | sing | 1.53Å | 1.52Å | |
| C29 | C18 | sing | 1.51Å | 1.51Å | |
| C29 | C30 | doub | 1.31Å | 1.31Å | |
| C18 | F19 | sing | 1.40Å | 1.38Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| N9 | H7 | sing | 0.97Å | 1.00Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å | |
| N33 | H26 | sing | 0.97Å | 1.00Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 119.7° | 117.0° |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H2 | 109.5° | 109.4° |
| O2 | C1 | H3 | 109.5° | 109.4° |
| O2 | C3 | C4 | 121.8° | 120.0° |
| O2 | C3 | C8 | 117.5° | 120.0° |
| O32 | C31 | C5 | 121.3° | 120.0° |
| O32 | C31 | N33 | 119.5° | 120.0° |
| C3 | C4 | C5 | 119.7° | 119.9° |
| C4 | C3 | C8 | 120.7° | 120.0° |
| C3 | C4 | H4 | 120.2° | 120.1° |
| C4 | C5 | C31 | 119.5° | 120.1° |
| C4 | C5 | C6 | 119.0° | 119.9° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| C3 | C8 | N9 | 115.7° | 119.9° |
| C3 | C8 | C7 | 119.9° | 120.1° |
| C5 | C31 | N33 | 119.2° | 120.0° |
| C31 | C5 | C6 | 121.5° | 120.0° |
| C31 | N33 | N34 | 124.8° | 120.0° |
| C31 | N33 | H26 | 117.6° | 120.0° |
| C5 | C6 | C7 | 121.3° | 120.0° |
| C5 | C6 | H5 | 119.4° | 120.1° |
| N9 | C8 | C7 | 124.4° | 120.0° |
| C8 | N9 | C10 | 129.1° | 120.0° |
| C8 | N9 | H7 | 115.5° | 120.0° |
| C8 | C7 | C6 | 119.3° | 120.2° |
| C8 | C7 | H6 | 120.3° | 119.9° |
| N9 | C10 | N11 | 117.4° | 119.0° |
| N9 | C10 | N28 | 121.3° | 119.0° |
| C10 | N9 | H7 | 115.5° | 120.0° |
| C7 | C6 | H5 | 119.4° | 120.0° |
| C6 | C7 | H6 | 120.3° | 119.9° |
| N33 | N34 | C35 | 110.6° | 111.0° |
| N33 | N34 | C40 | 110.2° | 111.0° |
| N34 | N33 | H26 | 117.6° | 120.0° |
| C35 | N34 | C40 | 111.2° | 110.9° |
| N34 | C35 | C36 | 108.9° | 109.3° |
| N34 | C35 | H27 | 109.6° | 109.4° |
| N34 | C35 | H28 | 109.6° | 109.4° |
| N34 | C40 | C39 | 108.7° | 109.4° |
| N34 | C40 | H37 | 109.7° | 109.5° |
| N34 | C40 | H38 | 109.7° | 109.5° |
| C10 | N11 | C12 | 120.8° | 121.0° |
| N11 | C10 | N28 | 121.3° | 122.0° |
| N11 | C12 | C13 | 119.6° | 118.8° |
| N11 | C12 | H8 | 120.2° | 120.7° |
| C10 | N28 | C27 | 122.2° | 120.3° |
| C35 | C36 | N37 | 108.0° | 109.4° |
| C36 | C35 | H27 | 109.6° | 109.5° |
| C36 | C35 | H28 | 109.6° | 109.6° |
| C35 | C36 | H29 | 109.8° | 109.5° |
| C35 | C36 | H30 | 109.8° | 109.5° |
| C36 | N37 | C39 | 111.8° | 110.8° |
| C36 | N37 | C38 | 111.5° | 111.1° |
| N37 | C36 | H29 | 109.8° | 109.5° |
| N37 | C36 | H30 | 109.9° | 109.5° |
| C40 | C39 | N37 | 109.0° | 109.4° |
| C40 | C39 | H35 | 109.6° | 109.5° |
| C40 | C39 | H36 | 109.6° | 109.5° |
| C39 | C40 | H37 | 109.7° | 109.5° |
| C39 | C40 | H38 | 109.7° | 109.5° |
| C39 | N37 | C38 | 112.9° | 111.0° |
| N37 | C39 | H35 | 109.6° | 109.5° |
| N37 | C39 | H36 | 109.6° | 109.5° |
| C12 | C13 | C27 | 118.3° | 118.9° |
| C12 | C13 | N14 | 118.0° | 121.3° |
| C13 | C12 | H8 | 120.2° | 120.6° |
| N37 | C38 | H32 | 109.5° | 109.4° |
| N37 | C38 | H33 | 109.5° | 109.5° |
| N37 | C38 | H34 | 109.5° | 109.5° |
| N28 | C27 | C13 | 117.8° | 119.0° |
| N28 | C27 | N21 | 118.4° | 121.1° |
| C27 | C13 | N14 | 123.6° | 119.8° |
| C13 | C27 | N21 | 123.8° | 119.9° |
| C13 | N14 | C15 | 117.8° | 120.9° |
| C13 | N14 | C16 | 124.6° | 118.2° |
| C27 | N21 | C22 | 115.3° | 111.0° |
| C27 | N21 | C20 | 120.6° | 112.4° |
| C15 | N14 | C16 | 117.5° | 120.9° |
| N14 | C15 | H9 | 109.5° | 109.5° |
| N14 | C15 | H10 | 109.5° | 109.4° |
| N14 | C15 | H11 | 109.5° | 109.4° |
| N14 | C16 | O17 | 119.3° | 120.3° |
| N14 | C16 | C18 | 120.9° | 119.3° |
| N21 | C22 | C26 | 112.4° | 110.5° |
| N21 | C22 | C23 | 111.0° | 110.5° |
| C22 | N21 | C20 | 108.8° | 111.0° |
| N21 | C22 | H14 | 109.7° | 110.4° |
| C26 | C22 | C23 | 106.1° | 104.2° |
| C22 | C26 | C25 | 107.0° | 106.6° |
| C26 | C22 | H14 | 108.8° | 110.5° |
| C22 | C26 | H21 | 110.1° | 110.0° |
| C22 | C26 | H22 | 110.1° | 110.0° |
| C22 | C23 | C24 | 104.3° | 102.8° |
| C23 | C22 | H14 | 108.7° | 110.6° |
| C22 | C23 | H15 | 110.7° | 110.8° |
| C22 | C23 | H16 | 110.7° | 110.8° |
| N21 | C20 | C18 | 119.5° | 110.5° |
| N21 | C20 | H12 | 106.9° | 109.3° |
| N21 | C20 | H13 | 107.0° | 109.3° |
| C26 | C25 | C24 | 105.1° | 106.6° |
| C26 | C25 | H19 | 110.6° | 110.0° |
| C26 | C25 | H20 | 110.5° | 110.0° |
| C25 | C26 | H21 | 110.1° | 110.1° |
| C25 | C26 | H22 | 110.1° | 110.0° |
| C23 | C24 | C25 | 104.0° | 104.2° |
| C24 | C23 | H15 | 110.7° | 110.7° |
| C24 | C23 | H16 | 110.7° | 110.7° |
| C23 | C24 | H17 | 110.8° | 110.5° |
| C23 | C24 | H18 | 110.8° | 110.5° |
| O17 | C16 | C18 | 119.8° | 120.3° |
| C16 | C18 | C20 | 114.4° | 110.5° |
| C16 | C18 | C29 | 112.3° | 109.2° |
| C16 | C18 | F19 | 106.8° | 109.3° |
| C25 | C24 | H17 | 110.8° | 110.5° |
| C25 | C24 | H18 | 110.8° | 110.5° |
| C24 | C25 | H19 | 110.5° | 110.1° |
| C24 | C25 | H20 | 110.6° | 110.0° |
| C20 | C18 | C29 | 110.9° | 109.3° |
| C20 | C18 | F19 | 104.0° | 109.3° |
| C18 | C20 | H12 | 106.9° | 109.3° |
| C18 | C20 | H13 | 106.9° | 109.2° |
| C18 | C29 | C30 | 121.9° | 120.0° |
| C29 | C18 | F19 | 107.8° | 109.3° |
| C18 | C29 | H23 | 119.1° | 120.1° |
| C30 | C29 | H23 | 119.0° | 120.0° |
| C29 | C30 | H24 | 120.0° | 120.0° |
| C29 | C30 | H25 | 120.0° | 120.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.4° |
| H9 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.4° | 109.5° |
| H12 | C20 | H13 | 109.4° | 109.2° |
| H15 | C23 | H16 | 109.5° | 110.8° |
| H17 | C24 | H18 | 109.5° | 110.5° |
| H19 | C25 | H20 | 109.5° | 110.0° |
| H21 | C26 | H22 | 109.5° | 110.1° |
| H24 | C30 | H25 | 120.0° | 120.0° |
| H27 | C35 | H28 | 109.5° | 109.5° |
| H29 | C36 | H30 | 109.5° | 109.4° |
| H32 | C38 | H33 | 109.5° | 109.4° |
| H32 | C38 | H34 | 109.4° | 109.5° |
| H33 | C38 | H34 | 109.5° | 109.5° |
| H35 | C39 | H36 | 109.5° | 109.5° |
| H37 | C40 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C4 | 18.3° | 0.3° |
| C1 | O2 | C3 | C8 | 160.9° | 180.0° |
| O2 | C1 | H1 | H2 | 120.0° | 120.0° |
| O2 | C1 | H1 | H3 | 120.0° | 120.0° |
| O2 | C1 | H2 | H3 | 120.0° | 119.9° |
| O2 | C3 | C4 | C8 | 179.2° | 179.7° |
| O2 | C3 | C4 | C5 | 179.8° | 180.0° |
| O2 | C3 | C8 | N9 | 0.3° | 0.0° |
| O2 | C3 | C8 | C7 | 179.8° | 179.8° |
| C3 | O2 | C1 | H1 | 180.0° | 180.0° |
| C3 | O2 | C1 | H2 | 60.0° | 60.0° |
| C3 | O2 | C1 | H3 | 60.0° | 60.0° |
| O2 | C3 | C4 | H4 | 0.3° | 0.1° |
| O32 | C31 | C5 | C4 | 41.9° | 0.0° |
| O32 | C31 | C5 | N33 | 177.6° | 180.0° |
| O32 | C31 | C5 | C6 | 139.9° | 180.0° |
| O32 | C31 | N33 | N34 | 0.7° | 0.0° |
| O32 | C31 | N33 | H26 | 179.4° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C31 | 178.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C4 | C3 | C8 | N9 | 178.9° | 179.7° |
| C4 | C3 | C8 | C7 | 0.6° | 0.5° |
| C5 | C4 | C3 | C8 | 0.5° | 0.2° |
| C4 | C5 | C31 | C6 | 178.2° | 180.0° |
| C4 | C5 | C31 | N33 | 135.7° | 180.0° |
| C4 | C5 | C6 | C7 | 0.7° | 0.0° |
| C4 | C5 | C6 | H5 | 179.3° | 180.0° |
| C3 | C8 | N9 | C7 | 179.5° | 179.8° |
| C3 | C8 | N9 | C10 | 171.8° | 155.2° |
| C3 | C8 | C7 | C6 | 0.7° | 0.5° |
| C8 | C3 | C4 | H4 | 179.5° | 179.8° |
| C3 | C8 | C7 | H6 | 179.3° | 179.7° |
| C3 | C8 | N9 | H7 | 8.2° | 24.8° |
| C31 | C5 | C6 | C7 | 178.9° | 180.0° |
| C5 | C31 | N33 | N34 | 178.3° | 180.0° |
| C31 | C5 | C4 | H4 | 1.2° | 0.0° |
| C31 | C5 | C6 | H5 | 1.1° | 0.0° |
| C5 | C31 | N33 | H26 | 1.7° | 0.0° |
| N33 | C31 | C5 | C6 | 42.5° | 0.0° |
| C31 | N33 | N34 | H26 | 180.0° | 180.0° |
| C31 | N33 | N34 | C35 | 115.3° | 120.0° |
| C31 | N33 | N34 | C40 | 121.4° | 116.2° |
| C5 | C6 | C7 | C8 | 0.8° | 0.2° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 179.4° | 180.0° |
| C5 | C6 | C7 | H6 | 179.2° | 180.0° |
| C8 | N9 | C10 | H7 | 180.0° | 180.0° |
| N9 | C8 | C7 | C6 | 178.8° | 179.7° |
| C8 | N9 | C10 | N11 | 179.2° | 6.3° |
| C8 | N9 | C10 | N28 | 1.8° | 174.1° |
| N9 | C8 | C7 | H6 | 1.2° | 0.1° |
| C7 | C8 | N9 | C10 | 7.6° | 25.0° |
| C8 | C7 | C6 | H6 | 180.0° | 179.8° |
| C8 | C7 | C6 | H5 | 179.2° | 179.8° |
| C7 | C8 | N9 | H7 | 172.3° | 155.0° |
| N9 | C10 | N11 | N28 | 179.1° | 179.6° |
| N9 | C10 | N11 | C12 | 178.2° | 179.7° |
| N9 | C10 | N28 | C27 | 178.6° | 179.8° |
| N33 | N34 | C35 | C40 | 122.8° | 123.9° |
| N33 | N34 | C35 | C36 | 176.0° | 176.8° |
| N33 | N34 | C40 | C39 | 177.4° | 176.8° |
| N33 | N34 | C35 | H27 | 56.1° | 56.8° |
| N33 | N34 | C35 | H28 | 64.1° | 63.2° |
| N33 | N34 | C40 | H37 | 62.7° | 63.2° |
| N33 | N34 | C40 | H38 | 57.6° | 56.8° |
| N34 | C35 | C36 | H27 | 119.9° | 119.9° |
| N34 | C35 | C36 | H28 | 119.9° | 119.9° |
| N34 | C35 | C36 | N37 | 59.9° | 58.4° |
| C35 | N34 | C40 | C39 | 59.5° | 59.3° |
| C35 | N34 | N33 | H26 | 64.7° | 60.0° |
| N34 | C35 | H27 | H28 | 120.3° | 120.0° |
| N34 | C35 | C36 | H29 | 59.9° | 61.6° |
| N34 | C35 | C36 | H30 | 179.6° | 178.4° |
| C35 | N34 | C40 | H37 | 60.3° | 60.7° |
| C35 | N34 | C40 | H38 | 179.4° | 179.3° |
| C40 | N34 | C35 | C36 | 61.2° | 59.3° |
| N34 | C40 | C39 | H37 | 119.9° | 119.9° |
| N34 | C40 | C39 | H38 | 119.9° | 120.0° |
| N34 | C40 | C39 | N37 | 57.3° | 58.3° |
| C40 | N34 | N33 | H26 | 58.7° | 63.8° |
| C40 | N34 | C35 | H27 | 178.9° | 179.2° |
| C40 | N34 | C35 | H28 | 58.7° | 60.7° |
| N34 | C40 | C39 | H35 | 177.2° | 61.6° |
| N34 | C40 | C39 | H36 | 62.7° | 178.4° |
| N34 | C40 | H37 | H38 | 120.4° | 120.0° |
| C10 | N11 | C12 | C13 | 0.7° | 0.1° |
| N11 | C10 | N28 | C27 | 0.4° | 0.6° |
| N11 | C10 | N9 | H7 | 0.8° | 173.7° |
| C10 | N11 | C12 | H8 | 179.3° | 179.9° |
| C12 | N11 | C10 | N28 | 0.8° | 0.7° |
| N11 | C12 | C13 | H8 | 180.0° | 179.9° |
| N11 | C12 | C13 | C27 | 0.1° | 0.5° |
| N11 | C12 | C13 | N14 | 177.7° | 178.3° |
| C10 | N28 | C27 | C13 | 0.1° | 0.1° |
| C10 | N28 | C27 | N21 | 179.5° | 179.1° |
| N28 | C10 | N9 | H7 | 178.2° | 5.9° |
| C35 | C36 | N37 | H29 | 119.7° | 120.1° |
| C35 | C36 | N37 | H30 | 119.8° | 119.9° |
| C35 | C36 | N37 | C39 | 60.7° | 59.3° |
| C35 | C36 | N37 | C38 | 171.8° | 176.8° |
| C36 | C35 | H27 | H28 | 120.3° | 120.2° |
| C35 | C36 | H29 | H30 | 120.7° | 120.0° |
| C36 | N37 | C39 | C40 | 59.8° | 59.3° |
| C36 | N37 | C39 | C38 | 126.7° | 123.9° |
| N37 | C36 | C35 | H27 | 179.7° | 178.3° |
| N37 | C36 | C35 | H28 | 60.0° | 61.5° |
| N37 | C36 | H29 | H30 | 120.7° | 120.0° |
| C36 | N37 | C38 | H32 | 180.0° | 60.1° |
| C36 | N37 | C38 | H33 | 60.0° | 180.0° |
| C36 | N37 | C38 | H34 | 60.0° | 59.9° |
| C36 | N37 | C39 | H35 | 179.7° | 60.6° |
| C36 | N37 | C39 | H36 | 60.1° | 179.3° |
| C40 | C39 | N37 | H35 | 119.9° | 119.9° |
| C40 | C39 | N37 | H36 | 119.9° | 120.0° |
| C40 | C39 | N37 | C38 | 173.5° | 176.8° |
| C40 | C39 | H35 | H36 | 120.2° | 120.0° |
| C39 | C40 | H37 | H38 | 120.3° | 120.1° |
| C39 | N37 | C36 | H29 | 59.0° | 60.7° |
| C39 | N37 | C36 | H30 | 179.5° | 179.3° |
| C39 | N37 | C38 | H32 | 53.2° | 176.2° |
| C39 | N37 | C38 | H33 | 66.8° | 56.2° |
| C39 | N37 | C38 | H34 | 173.2° | 63.9° |
| N37 | C39 | H35 | H36 | 120.2° | 120.1° |
| N37 | C39 | C40 | H37 | 62.6° | 61.6° |
| N37 | C39 | C40 | H38 | 177.2° | 178.3° |
| C12 | C13 | C27 | N28 | 0.3° | 0.6° |
| C12 | C13 | C27 | N14 | 177.4° | 178.8° |
| C12 | C13 | C27 | N21 | 179.6° | 178.6° |
| C12 | C13 | N14 | C15 | 43.4° | 49.8° |
| C12 | C13 | N14 | C16 | 139.9° | 130.3° |
| C38 | N37 | C36 | H29 | 68.4° | 63.1° |
| C38 | N37 | C36 | H30 | 52.1° | 56.9° |
| N37 | C38 | H32 | H33 | 120.0° | 120.0° |
| N37 | C38 | H32 | H34 | 120.0° | 120.0° |
| N37 | C38 | H33 | H34 | 120.0° | 120.1° |
| C38 | N37 | C39 | H35 | 53.6° | 63.3° |
| C38 | N37 | C39 | H36 | 66.6° | 56.8° |
| N28 | C27 | C13 | N21 | 179.3° | 179.2° |
| N28 | C27 | C13 | N14 | 177.2° | 178.2° |
| N28 | C27 | N21 | C22 | 6.4° | 132.0° |
| N28 | C27 | N21 | C20 | 127.5° | 102.9° |
| C27 | C13 | N14 | C15 | 134.1° | 131.4° |
| C27 | C13 | N14 | C16 | 42.6° | 48.5° |
| C13 | C27 | N21 | C22 | 172.9° | 47.2° |
| C13 | C27 | N21 | C20 | 53.2° | 77.9° |
| C27 | C13 | C12 | H8 | 179.8° | 179.4° |
| N14 | C13 | C27 | N21 | 2.1° | 2.6° |
| C13 | N14 | C15 | C16 | 177.0° | 179.9° |
| C13 | N14 | C16 | O17 | 178.9° | 176.4° |
| C13 | N14 | C16 | C18 | 2.9° | 3.7° |
| N14 | C13 | C12 | H8 | 2.3° | 1.8° |
| C13 | N14 | C15 | H9 | 180.0° | 95.0° |
| C13 | N14 | C15 | H10 | 60.0° | 145.0° |
| C13 | N14 | C15 | H11 | 60.0° | 25.0° |
| C27 | N21 | C22 | C20 | 139.0° | 125.8° |
| C27 | N21 | C22 | C26 | 86.8° | 169.0° |
| C27 | N21 | C22 | C23 | 154.5° | 54.2° |
| C27 | N21 | C20 | C18 | 26.9° | 44.2° |
| C27 | N21 | C20 | H12 | 94.5° | 76.1° |
| C27 | N21 | C20 | H13 | 148.4° | 164.5° |
| C27 | N21 | C22 | H14 | 34.4° | 68.5° |
| C15 | N14 | C16 | O17 | 2.1° | 3.5° |
| C15 | N14 | C16 | C18 | 179.6° | 176.4° |
| N14 | C15 | H9 | H10 | 120.0° | 119.9° |
| N14 | C15 | H9 | H11 | 120.0° | 120.0° |
| N14 | C15 | H10 | H11 | 120.0° | 120.0° |
| N14 | C16 | O17 | C18 | 178.2° | 179.9° |
| N14 | C16 | C18 | C20 | 63.8° | 76.2° |
| N14 | C16 | C18 | C29 | 63.7° | 163.6° |
| N14 | C16 | C18 | F19 | 178.3° | 44.1° |
| C16 | N14 | C15 | H9 | 3.1° | 84.9° |
| C16 | N14 | C15 | H10 | 117.0° | 35.1° |
| C16 | N14 | C15 | H11 | 123.1° | 155.1° |
| N21 | C22 | C26 | C23 | 121.5° | 118.7° |
| N21 | C22 | C26 | H14 | 121.7° | 122.5° |
| N21 | C22 | C23 | H14 | 120.7° | 122.6° |
| N21 | C22 | C26 | C25 | 120.4° | 142.3° |
| N21 | C22 | C23 | C24 | 143.1° | 156.6° |
| C22 | N21 | C20 | C18 | 163.4° | 80.8° |
| C22 | N21 | C20 | H12 | 42.0° | 158.9° |
| C22 | N21 | C20 | H13 | 75.2° | 39.5° |
| N21 | C22 | C23 | H15 | 97.7° | 85.1° |
| N21 | C22 | C23 | H16 | 24.0° | 38.3° |
| N21 | C22 | C26 | H21 | 0.7° | 23.0° |
| N21 | C22 | C26 | H22 | 120.0° | 98.4° |
| C26 | C22 | C23 | H14 | 116.9° | 118.7° |
| C26 | C22 | N21 | C20 | 52.2° | 65.2° |
| C22 | C26 | C25 | H21 | 119.6° | 119.2° |
| C22 | C26 | C25 | H22 | 119.6° | 119.3° |
| C26 | C22 | C23 | C24 | 20.7° | 37.9° |
| C22 | C26 | C25 | C24 | 22.9° | 0.0° |
| C26 | C22 | C23 | H15 | 139.8° | 156.2° |
| C26 | C22 | C23 | H16 | 98.5° | 80.4° |
| C22 | C26 | C25 | H19 | 96.4° | 119.3° |
| C22 | C26 | C25 | H20 | 142.2° | 119.3° |
| C22 | C26 | H21 | H22 | 121.1° | 121.4° |
| C23 | C22 | N21 | C20 | 66.5° | 180.0° |
| C23 | C22 | C26 | C25 | 1.2° | 23.6° |
| C22 | C23 | C24 | H15 | 119.2° | 118.3° |
| C22 | C23 | C24 | H16 | 119.2° | 118.3° |
| C22 | C23 | C24 | C25 | 34.8° | 37.9° |
| C22 | C23 | H15 | H16 | 122.4° | 123.4° |
| C22 | C23 | C24 | H17 | 84.3° | 80.7° |
| C22 | C23 | C24 | H18 | 153.9° | 156.6° |
| C23 | C22 | C26 | H21 | 120.8° | 95.7° |
| C23 | C22 | C26 | H22 | 118.5° | 142.9° |
| N21 | C20 | C18 | C16 | 44.9° | 43.9° |
| N21 | C20 | C18 | H12 | 121.4° | 120.3° |
| N21 | C20 | C18 | H13 | 121.5° | 120.3° |
| N21 | C20 | C18 | C29 | 83.4° | 164.1° |
| N21 | C20 | C18 | F19 | 161.1° | 76.3° |
| N21 | C20 | H12 | H13 | 115.5° | 119.5° |
| C20 | N21 | C22 | H14 | 173.4° | 57.3° |
| C26 | C25 | C24 | C23 | 35.8° | 23.6° |
| C26 | C25 | C24 | H19 | 119.3° | 119.3° |
| C26 | C25 | C24 | H20 | 119.3° | 119.3° |
| C25 | C26 | C22 | H14 | 117.9° | 95.2° |
| C26 | C25 | C24 | H17 | 83.3° | 95.1° |
| C26 | C25 | C24 | H18 | 155.0° | 142.3° |
| C26 | C25 | H19 | H20 | 122.0° | 121.4° |
| C25 | C26 | H21 | H22 | 121.2° | 121.5° |
| C23 | C24 | C25 | H17 | 119.1° | 118.7° |
| C23 | C24 | C25 | H18 | 119.2° | 118.7° |
| C24 | C23 | C22 | H14 | 96.2° | 80.8° |
| C24 | C23 | H15 | H16 | 122.4° | 123.3° |
| C23 | C24 | H17 | H18 | 122.5° | 122.6° |
| C23 | C24 | C25 | H19 | 83.5° | 142.9° |
| C23 | C24 | C25 | H20 | 155.1° | 95.7° |
| O17 | C16 | C18 | C20 | 118.0° | 103.9° |
| O17 | C16 | C18 | C29 | 114.5° | 16.3° |
| O17 | C16 | C18 | F19 | 3.5° | 135.8° |
| C16 | C18 | C20 | C29 | 128.2° | 120.2° |
| C16 | C18 | C20 | F19 | 116.2° | 120.3° |
| C16 | C18 | C29 | F19 | 117.4° | 119.5° |
| C16 | C18 | C29 | C30 | 126.3° | 120.1° |
| C16 | C18 | C20 | H12 | 166.3° | 164.3° |
| C16 | C18 | C20 | H13 | 76.6° | 76.3° |
| C16 | C18 | C29 | H23 | 53.8° | 60.0° |
| C25 | C24 | C23 | H15 | 153.9° | 156.2° |
| C25 | C24 | C23 | H16 | 84.4° | 80.4° |
| C25 | C24 | H17 | H18 | 122.5° | 122.6° |
| C24 | C25 | H19 | H20 | 122.0° | 121.4° |
| C24 | C25 | C26 | H21 | 142.5° | 119.2° |
| C24 | C25 | C26 | H22 | 96.7° | 119.3° |
| C20 | C18 | C29 | F19 | 113.2° | 119.5° |
| C20 | C18 | C29 | C30 | 104.4° | 118.9° |
| C18 | C20 | H12 | H13 | 115.5° | 119.4° |
| C20 | C18 | C29 | H23 | 75.6° | 61.0° |
| C18 | C29 | C30 | H23 | 180.0° | 179.9° |
| C29 | C18 | C20 | H12 | 38.1° | 75.6° |
| C29 | C18 | C20 | H13 | 155.2° | 43.9° |
| C18 | C29 | C30 | H24 | 180.0° | 180.0° |
| C18 | C29 | C30 | H25 | 0.0° | 0.1° |
| C30 | C29 | C18 | F19 | 8.9° | 0.6° |
| C29 | C30 | H24 | H25 | 180.0° | 180.0° |
| F19 | C18 | C20 | H12 | 77.5° | 44.0° |
| F19 | C18 | C20 | H13 | 39.6° | 163.4° |
| F19 | C18 | C29 | H23 | 171.1° | 179.5° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C6 | C7 | H6 | 0.8° | 0.0° |
| H9 | C15 | H10 | H11 | 120.0° | 120.1° |
| H14 | C22 | C23 | H15 | 23.0° | 37.5° |
| H14 | C22 | C23 | H16 | 144.6° | 160.9° |
| H14 | C22 | C26 | H21 | 122.4° | 145.5° |
| H14 | C22 | C26 | H22 | 1.7° | 24.1° |
| H15 | C23 | C24 | H17 | 34.8° | 37.6° |
| H15 | C23 | C24 | H18 | 86.9° | 85.1° |
| H16 | C23 | C24 | H17 | 156.5° | 160.9° |
| H16 | C23 | C24 | H18 | 34.8° | 38.3° |
| H17 | C24 | C25 | H19 | 157.4° | 24.2° |
| H17 | C24 | C25 | H20 | 36.0° | 145.6° |
| H18 | C24 | C25 | H19 | 35.7° | 98.4° |
| H18 | C24 | C25 | H20 | 85.7° | 23.0° |
| H19 | C25 | C26 | H21 | 23.2° | 121.4° |
| H19 | C25 | C26 | H22 | 144.0° | 0.1° |
| H20 | C25 | C26 | H21 | 98.2° | 0.0° |
| H20 | C25 | C26 | H22 | 22.6° | 121.5° |
| H23 | C29 | C30 | H24 | 0.0° | 0.1° |
| H23 | C29 | C30 | H25 | 180.0° | 180.0° |
| H27 | C35 | C36 | H29 | 60.0° | 58.3° |
| H27 | C35 | C36 | H30 | 60.5° | 61.7° |
| H28 | C35 | C36 | H29 | 179.8° | 178.4° |
| H28 | C35 | C36 | H30 | 59.7° | 58.4° |
| H32 | C38 | H33 | H34 | 120.0° | 120.0° |
| H35 | C39 | C40 | H37 | 57.3° | 178.5° |
| H35 | C39 | C40 | H38 | 62.9° | 58.4° |
| H36 | C39 | C40 | H37 | 177.4° | 58.4° |
| H36 | C39 | C40 | H38 | 57.2° | 61.6° |
