A1ENN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11X | C10X | sing | 1.53Å | 1.48Å | |
| BR1X | C7X | sing | 1.89Å | 1.94Å | |
| C3X | C10X | sing | 1.53Å | 1.56Å | |
| C3X | C1X | sing | 1.53Å | 1.50Å | |
| C10X | N2X | sing | 1.45Å | 1.50Å | |
| C10X | C12X | sing | 1.54Å | 1.56Å | |
| C9X | C16X | sing | 1.53Å | 1.55Å | |
| N2X | C13X | sing | 1.45Å | 1.51Å | |
| C5X | C7X | doub | 1.38Å | 1.40Å | Aromatic |
| C5X | C18X | sing | 1.38Å | 1.44Å | Aromatic |
| C1X | N1X | sing | 1.47Å | 1.51Å | |
| C1X | C2X | sing | 1.53Å | 1.51Å | |
| C7X | C8X | sing | 1.39Å | 1.41Å | Aromatic |
| N1X | C20X | sing | 1.35Å | 1.49Å | |
| C15X | C13X | sing | 1.53Å | 1.54Å | |
| C13X | C2X | sing | 1.53Å | 1.55Å | |
| C13X | C14X | sing | 1.54Å | 1.51Å | |
| C16X | C18X | sing | 1.51Å | 1.55Å | |
| C16X | C17X | sing | 1.53Å | 1.55Å | |
| C18X | C4X | doub | 1.38Å | 1.42Å | Aromatic |
| C20X | O2X | doub | 1.21Å | 1.17Å | |
| C20X | C19X | sing | 1.51Å | 1.55Å | |
| C8X | O1X | sing | 1.36Å | 1.37Å | |
| C8X | C6X | doub | 1.39Å | 1.45Å | Aromatic |
| O1X | C19X | sing | 1.43Å | 1.39Å | |
| C4X | C6X | sing | 1.38Å | 1.39Å | Aromatic |
| C1X | H1 | sing | 1.09Å | 1.10Å | |
| C2X | H2 | sing | 1.09Å | 1.10Å | |
| C2X | H3 | sing | 1.09Å | 1.10Å | |
| C3X | H4 | sing | 1.09Å | 1.10Å | |
| C3X | H5 | sing | 1.09Å | 1.10Å | |
| C4X | H6 | sing | 1.08Å | 1.08Å | |
| C5X | H7 | sing | 1.08Å | 1.08Å | |
| C6X | H8 | sing | 1.08Å | 1.08Å | |
| C9X | H9 | sing | 1.09Å | 1.10Å | |
| C9X | H10 | sing | 1.09Å | 1.10Å | |
| C9X | H11 | sing | 1.09Å | 1.10Å | |
| N1X | H12 | sing | 0.97Å | 1.00Å | |
| N2X | H13 | sing | 1.01Å | 1.00Å | |
| C11X | H15 | sing | 1.09Å | 1.10Å | |
| C11X | H16 | sing | 1.09Å | 1.10Å | |
| C11X | H17 | sing | 1.09Å | 1.10Å | |
| C12X | H18 | sing | 1.09Å | 1.10Å | |
| C12X | H19 | sing | 1.09Å | 1.10Å | |
| C12X | H20 | sing | 1.09Å | 1.10Å | |
| C14X | H21 | sing | 1.09Å | 1.10Å | |
| C14X | H22 | sing | 1.09Å | 1.10Å | |
| C14X | H23 | sing | 1.09Å | 1.10Å | |
| C15X | H24 | sing | 1.09Å | 1.10Å | |
| C15X | H25 | sing | 1.09Å | 1.10Å | |
| C15X | H26 | sing | 1.09Å | 1.10Å | |
| C16X | H27 | sing | 1.09Å | 1.10Å | |
| C17X | H28 | sing | 1.09Å | 1.10Å | |
| C17X | H29 | sing | 1.09Å | 1.10Å | |
| C17X | H30 | sing | 1.09Å | 1.10Å | |
| C19X | H31 | sing | 1.09Å | 1.10Å | |
| C19X | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11X | C10X | C3X | 107.6° | 109.7° |
| C11X | C10X | N2X | 107.8° | 111.5° |
| C11X | C10X | C12X | 107.3° | 107.3° |
| C10X | C11X | H15 | 109.5° | 109.5° |
| C10X | C11X | H16 | 109.5° | 109.4° |
| C10X | C11X | H17 | 109.5° | 109.5° |
| BR1X | C7X | C5X | 120.2° | 120.0° |
| BR1X | C7X | C8X | 119.8° | 120.0° |
| C10X | C3X | C1X | 113.0° | 109.9° |
| C3X | C10X | N2X | 114.1° | 112.4° |
| C3X | C10X | C12X | 109.4° | 107.5° |
| C10X | C3X | H4 | 108.6° | 109.5° |
| C10X | C3X | H5 | 108.6° | 109.5° |
| C3X | C1X | N1X | 110.9° | 109.2° |
| C3X | C1X | C2X | 112.5° | 108.3° |
| C3X | C1X | H1 | 107.5° | 110.6° |
| C1X | C3X | H4 | 108.6° | 109.5° |
| C1X | C3X | H5 | 108.6° | 109.3° |
| N2X | C10X | C12X | 110.4° | 108.2° |
| C10X | N2X | C13X | 116.6° | 120.1° |
| C10X | N2X | H13 | 107.6° | 112.4° |
| C10X | C12X | H18 | 109.5° | 109.4° |
| C10X | C12X | H19 | 109.5° | 109.5° |
| C10X | C12X | H20 | 109.5° | 109.5° |
| C9X | C16X | C18X | 111.4° | 109.5° |
| C9X | C16X | C17X | 111.1° | 109.5° |
| C16X | C9X | H9 | 109.5° | 109.4° |
| C16X | C9X | H10 | 109.5° | 109.5° |
| C16X | C9X | H11 | 109.5° | 109.4° |
| C9X | C16X | H27 | 107.6° | 109.5° |
| N2X | C13X | C15X | 107.5° | 111.2° |
| N2X | C13X | C2X | 113.5° | 113.1° |
| N2X | C13X | C14X | 110.4° | 108.1° |
| C13X | N2X | H13 | 107.7° | 112.5° |
| C7X | C5X | C18X | 120.1° | 120.0° |
| C5X | C7X | C8X | 119.9° | 120.0° |
| C7X | C5X | H7 | 119.9° | 120.0° |
| C5X | C18X | C16X | 120.1° | 120.0° |
| C5X | C18X | C4X | 120.0° | 120.2° |
| C18X | C5X | H7 | 119.9° | 120.0° |
| N1X | C1X | C2X | 110.9° | 109.2° |
| C1X | N1X | C20X | 125.3° | 120.0° |
| N1X | C1X | H1 | 107.3° | 109.1° |
| C1X | N1X | H12 | 117.4° | 120.0° |
| C1X | C2X | C13X | 110.2° | 110.6° |
| C2X | C1X | H1 | 107.4° | 110.4° |
| C1X | C2X | H2 | 109.3° | 109.4° |
| C1X | C2X | H3 | 109.3° | 109.4° |
| C7X | C8X | O1X | 119.9° | 120.0° |
| C7X | C8X | C6X | 120.1° | 119.9° |
| N1X | C20X | O2X | 118.9° | 120.0° |
| N1X | C20X | C19X | 122.5° | 120.0° |
| C20X | N1X | H12 | 117.3° | 120.0° |
| C15X | C13X | C2X | 107.6° | 109.5° |
| C15X | C13X | C14X | 108.0° | 107.2° |
| C13X | C15X | H24 | 109.5° | 109.5° |
| C13X | C15X | H25 | 109.5° | 109.4° |
| C13X | C15X | H26 | 109.5° | 109.4° |
| C2X | C13X | C14X | 109.6° | 107.5° |
| C13X | C2X | H2 | 109.3° | 109.4° |
| C13X | C2X | H3 | 109.3° | 109.4° |
| C13X | C14X | H21 | 109.5° | 109.5° |
| C13X | C14X | H22 | 109.5° | 109.5° |
| C13X | C14X | H23 | 109.4° | 109.5° |
| C18X | C16X | C17X | 111.2° | 109.5° |
| C16X | C18X | C4X | 119.9° | 119.9° |
| C18X | C16X | H27 | 107.6° | 109.4° |
| C17X | C16X | H27 | 107.6° | 109.5° |
| C16X | C17X | H28 | 109.5° | 109.5° |
| C16X | C17X | H29 | 109.5° | 109.5° |
| C16X | C17X | H30 | 109.5° | 109.4° |
| C18X | C4X | C6X | 119.9° | 120.0° |
| C18X | C4X | H6 | 120.1° | 120.0° |
| O2X | C20X | C19X | 118.6° | 120.0° |
| C20X | C19X | O1X | 108.2° | 109.4° |
| C20X | C19X | H31 | 109.8° | 109.5° |
| C20X | C19X | H32 | 109.8° | 109.4° |
| O1X | C8X | C6X | 120.0° | 120.1° |
| C8X | O1X | C19X | 113.1° | 117.0° |
| C8X | C6X | C4X | 120.0° | 120.0° |
| C8X | C6X | H8 | 120.0° | 120.0° |
| O1X | C19X | H31 | 109.8° | 109.5° |
| O1X | C19X | H32 | 109.8° | 109.5° |
| C6X | C4X | H6 | 120.1° | 120.0° |
| C4X | C6X | H8 | 120.0° | 120.0° |
| H2 | C2X | H3 | 109.5° | 108.7° |
| H4 | C3X | H5 | 109.5° | 109.1° |
| H9 | C9X | H10 | 109.4° | 109.5° |
| H9 | C9X | H11 | 109.5° | 109.4° |
| H10 | C9X | H11 | 109.4° | 109.5° |
| H15 | C11X | H16 | 109.4° | 109.5° |
| H15 | C11X | H17 | 109.5° | 109.5° |
| H16 | C11X | H17 | 109.5° | 109.5° |
| H18 | C12X | H19 | 109.4° | 109.5° |
| H18 | C12X | H20 | 109.5° | 109.4° |
| H19 | C12X | H20 | 109.5° | 109.5° |
| H21 | C14X | H22 | 109.4° | 109.5° |
| H21 | C14X | H23 | 109.5° | 109.4° |
| H22 | C14X | H23 | 109.5° | 109.4° |
| H24 | C15X | H25 | 109.5° | 109.5° |
| H24 | C15X | H26 | 109.5° | 109.5° |
| H25 | C15X | H26 | 109.4° | 109.5° |
| H28 | C17X | H29 | 109.5° | 109.5° |
| H28 | C17X | H30 | 109.5° | 109.4° |
| H29 | C17X | H30 | 109.5° | 109.5° |
| H31 | C19X | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11X | C10X | C3X | N2X | 119.6° | 124.6° |
| C11X | C10X | C3X | C12X | 116.2° | 116.4° |
| C11X | C10X | C3X | C1X | 135.2° | 73.3° |
| C11X | C10X | N2X | C12X | 116.9° | 117.8° |
| C11X | C10X | N2X | C13X | 166.5° | 81.6° |
| C11X | C10X | C3X | H4 | 14.7° | 166.4° |
| C11X | C10X | C3X | H5 | 104.2° | 46.8° |
| C11X | C10X | N2X | H13 | 72.5° | 142.5° |
| C10X | C11X | H15 | H16 | 120.0° | 120.0° |
| C10X | C11X | H15 | H17 | 120.0° | 120.0° |
| C10X | C11X | H16 | H17 | 120.0° | 120.0° |
| C11X | C10X | C12X | H18 | 180.0° | 58.0° |
| C11X | C10X | C12X | H19 | 60.0° | 62.0° |
| C11X | C10X | C12X | H20 | 60.0° | 177.9° |
| BR1X | C7X | C5X | C8X | 180.0° | 179.1° |
| BR1X | C7X | C5X | C18X | 179.9° | 180.0° |
| BR1X | C7X | C8X | O1X | 0.1° | 0.3° |
| BR1X | C7X | C8X | C6X | 179.9° | 179.7° |
| BR1X | C7X | C5X | H7 | 0.1° | 0.9° |
| C10X | C3X | C1X | H4 | 120.5° | 120.3° |
| C10X | C3X | C1X | H5 | 120.5° | 120.2° |
| C3X | C10X | N2X | C12X | 123.7° | 118.6° |
| C3X | C10X | N2X | C13X | 47.0° | 42.1° |
| C10X | C3X | C1X | N1X | 163.8° | 179.9° |
| C10X | C3X | C1X | C2X | 39.0° | 61.2° |
| C10X | C3X | C1X | H1 | 79.1° | 59.9° |
| C10X | C3X | H4 | H5 | 118.4° | 119.8° |
| C3X | C10X | N2X | H13 | 168.1° | 93.8° |
| C3X | C10X | C11X | H15 | 180.0° | 60.0° |
| C3X | C10X | C11X | H16 | 60.0° | 180.0° |
| C3X | C10X | C11X | H17 | 60.0° | 60.0° |
| C3X | C10X | C12X | H18 | 63.6° | 60.0° |
| C3X | C10X | C12X | H19 | 56.4° | 180.0° |
| C3X | C10X | C12X | H20 | 176.4° | 59.9° |
| C1X | C3X | C10X | N2X | 15.6° | 51.3° |
| C1X | C3X | C10X | C12X | 108.6° | 170.3° |
| C3X | C1X | N1X | C2X | 125.8° | 118.3° |
| C3X | C1X | N1X | H1 | 117.2° | 120.9° |
| C3X | C1X | C2X | H1 | 118.1° | 121.2° |
| C3X | C1X | N1X | C20X | 60.4° | 86.7° |
| C3X | C1X | C2X | C13X | 64.9° | 59.8° |
| C3X | C1X | C2X | H2 | 174.9° | 179.6° |
| C3X | C1X | C2X | H3 | 55.2° | 60.7° |
| C1X | C3X | H4 | H5 | 118.4° | 119.6° |
| C3X | C1X | N1X | H12 | 119.6° | 93.3° |
| C10X | N2X | C13X | H13 | 121.0° | 135.9° |
| C10X | N2X | C13X | C15X | 140.2° | 83.0° |
| C10X | N2X | C13X | C2X | 21.3° | 40.7° |
| C10X | N2X | C13X | C14X | 102.2° | 159.6° |
| N2X | C10X | C3X | H4 | 104.9° | 69.0° |
| N2X | C10X | C3X | H5 | 136.2° | 171.5° |
| N2X | C10X | C11X | H15 | 56.5° | 65.2° |
| N2X | C10X | C11X | H16 | 176.5° | 54.8° |
| N2X | C10X | C11X | H17 | 63.5° | 174.8° |
| N2X | C10X | C12X | H18 | 62.8° | 178.4° |
| N2X | C10X | C12X | H19 | 177.2° | 58.4° |
| N2X | C10X | C12X | H20 | 57.2° | 61.7° |
| C12X | C10X | N2X | C13X | 76.6° | 160.7° |
| C12X | C10X | C3X | H4 | 130.9° | 50.0° |
| C12X | C10X | C3X | H5 | 12.0° | 69.6° |
| C12X | C10X | N2X | H13 | 44.4° | 24.7° |
| C12X | C10X | C11X | H15 | 62.4° | 176.5° |
| C12X | C10X | C11X | H16 | 57.6° | 63.5° |
| C12X | C10X | C11X | H17 | 177.6° | 56.6° |
| C10X | C12X | H18 | H19 | 120.0° | 120.0° |
| C10X | C12X | H18 | H20 | 120.0° | 119.9° |
| C10X | C12X | H19 | H20 | 120.0° | 120.0° |
| C9X | C16X | C18X | C5X | 25.5° | 119.9° |
| C9X | C16X | C18X | C17X | 124.6° | 120.1° |
| C9X | C16X | C18X | H27 | 117.7° | 120.0° |
| C9X | C16X | C17X | H27 | 117.6° | 120.0° |
| C9X | C16X | C18X | C4X | 154.3° | 59.5° |
| C16X | C9X | H9 | H10 | 120.0° | 120.1° |
| C16X | C9X | H9 | H11 | 120.1° | 119.9° |
| C16X | C9X | H10 | H11 | 120.0° | 120.0° |
| C9X | C16X | C17X | H28 | 180.0° | 60.0° |
| C9X | C16X | C17X | H29 | 60.0° | 180.0° |
| C9X | C16X | C17X | H30 | 60.0° | 60.0° |
| N2X | C13X | C2X | C1X | 32.9° | 48.6° |
| N2X | C13X | C15X | C2X | 122.6° | 125.7° |
| N2X | C13X | C15X | C14X | 119.1° | 118.0° |
| N2X | C13X | C2X | C14X | 124.0° | 119.3° |
| N2X | C13X | C2X | H2 | 153.0° | 169.1° |
| N2X | C13X | C2X | H3 | 87.2° | 71.9° |
| N2X | C13X | C14X | H21 | 180.0° | 60.0° |
| N2X | C13X | C14X | H22 | 60.0° | 179.9° |
| N2X | C13X | C14X | H23 | 60.0° | 60.0° |
| N2X | C13X | C15X | H24 | 180.0° | 60.0° |
| N2X | C13X | C15X | H25 | 60.0° | 180.0° |
| N2X | C13X | C15X | H26 | 60.0° | 60.1° |
| C7X | C5X | C18X | H7 | 180.0° | 179.1° |
| C7X | C5X | C18X | C16X | 180.0° | 180.0° |
| C7X | C5X | C18X | C4X | 0.2° | 0.6° |
| C5X | C7X | C8X | O1X | 179.9° | 179.5° |
| C5X | C7X | C8X | C6X | 0.1° | 0.5° |
| C18X | C5X | C7X | C8X | 0.0° | 0.8° |
| C5X | C18X | C16X | C4X | 179.8° | 179.4° |
| C5X | C18X | C16X | C17X | 99.1° | 120.0° |
| C5X | C18X | C4X | C6X | 0.2° | 0.1° |
| C5X | C18X | C4X | H6 | 179.8° | 179.7° |
| C5X | C18X | C16X | H27 | 143.3° | 0.1° |
| N1X | C1X | C2X | H1 | 117.0° | 119.9° |
| C1X | N1X | C20X | H12 | 180.0° | 180.0° |
| N1X | C1X | C2X | C13X | 170.2° | 178.7° |
| C1X | N1X | C20X | O2X | 179.9° | 0.0° |
| C1X | N1X | C20X | C19X | 0.2° | 180.0° |
| N1X | C1X | C2X | H2 | 50.1° | 60.8° |
| N1X | C1X | C2X | H3 | 69.7° | 58.2° |
| N1X | C1X | C3X | H4 | 75.6° | 59.8° |
| N1X | C1X | C3X | H5 | 43.3° | 59.7° |
| C2X | C1X | N1X | C20X | 65.4° | 155.0° |
| C1X | C2X | C13X | C15X | 86.0° | 76.0° |
| C1X | C2X | C13X | H2 | 120.1° | 120.5° |
| C1X | C2X | C13X | H3 | 120.1° | 120.5° |
| C1X | C2X | C13X | C14X | 156.8° | 167.9° |
| C1X | C2X | H2 | H3 | 119.6° | 119.4° |
| C2X | C1X | C3X | H4 | 159.5° | 59.1° |
| C2X | C1X | C3X | H5 | 81.5° | 178.6° |
| C2X | C1X | N1X | H12 | 114.6° | 25.0° |
| C7X | C8X | O1X | C6X | 179.8° | 180.0° |
| C7X | C8X | O1X | C19X | 126.9° | 180.0° |
| C7X | C8X | C6X | C4X | 0.1° | 0.0° |
| C8X | C7X | C5X | H7 | 180.0° | 180.0° |
| C7X | C8X | C6X | H8 | 179.9° | 180.0° |
| N1X | C20X | O2X | C19X | 179.9° | 180.0° |
| N1X | C20X | C19X | O1X | 110.8° | 180.0° |
| C20X | N1X | C1X | H1 | 177.6° | 34.2° |
| N1X | C20X | C19X | H31 | 9.0° | 60.0° |
| N1X | C20X | C19X | H32 | 129.4° | 60.0° |
| C15X | C13X | C2X | C14X | 117.2° | 116.1° |
| C15X | C13X | C2X | H2 | 34.1° | 44.5° |
| C15X | C13X | C2X | H3 | 153.9° | 163.5° |
| C15X | C13X | N2X | H13 | 98.7° | 141.2° |
| C15X | C13X | C14X | H21 | 62.7° | 60.0° |
| C15X | C13X | C14X | H22 | 177.3° | 60.1° |
| C15X | C13X | C14X | H23 | 57.3° | 179.9° |
| C13X | C15X | H24 | H25 | 120.0° | 120.0° |
| C13X | C15X | H24 | H26 | 120.0° | 120.0° |
| C13X | C15X | H25 | H26 | 120.0° | 119.9° |
| C13X | C2X | C1X | H1 | 53.2° | 61.4° |
| C13X | C2X | H2 | H3 | 119.6° | 119.4° |
| C2X | C13X | N2X | H13 | 142.3° | 95.2° |
| C2X | C13X | C14X | H21 | 54.3° | 177.6° |
| C2X | C13X | C14X | H22 | 65.7° | 57.5° |
| C2X | C13X | C14X | H23 | 174.3° | 62.4° |
| C2X | C13X | C15X | H24 | 57.4° | 65.7° |
| C2X | C13X | C15X | H25 | 177.4° | 54.3° |
| C2X | C13X | C15X | H26 | 62.6° | 174.2° |
| C14X | C13X | C2X | H2 | 83.0° | 71.6° |
| C14X | C13X | C2X | H3 | 36.7° | 47.4° |
| C14X | C13X | N2X | H13 | 18.8° | 23.8° |
| C13X | C14X | H21 | H22 | 120.0° | 120.1° |
| C13X | C14X | H21 | H23 | 120.0° | 120.0° |
| C13X | C14X | H22 | H23 | 120.0° | 120.0° |
| C14X | C13X | C15X | H24 | 60.9° | 177.9° |
| C14X | C13X | C15X | H25 | 59.2° | 62.0° |
| C14X | C13X | C15X | H26 | 179.1° | 57.9° |
| C18X | C16X | C17X | H27 | 117.6° | 119.9° |
| C16X | C18X | C4X | C6X | 180.0° | 179.4° |
| C16X | C18X | C4X | H6 | 0.0° | 0.3° |
| C16X | C18X | C5X | H7 | 0.0° | 0.9° |
| C18X | C16X | C9X | H9 | 180.0° | 180.0° |
| C18X | C16X | C9X | H10 | 60.0° | 60.0° |
| C18X | C16X | C9X | H11 | 60.0° | 60.1° |
| C18X | C16X | C17X | H28 | 55.2° | 60.1° |
| C18X | C16X | C17X | H29 | 64.8° | 59.9° |
| C18X | C16X | C17X | H30 | 175.2° | 180.0° |
| C17X | C16X | C18X | C4X | 81.1° | 60.6° |
| C17X | C16X | C9X | H9 | 55.3° | 59.9° |
| C17X | C16X | C9X | H10 | 64.7° | 180.0° |
| C17X | C16X | C9X | H11 | 175.4° | 59.9° |
| C16X | C17X | H28 | H29 | 120.0° | 120.0° |
| C16X | C17X | H28 | H30 | 120.0° | 119.9° |
| C16X | C17X | H29 | H30 | 120.0° | 120.0° |
| C18X | C4X | C6X | C8X | 0.0° | 0.3° |
| C18X | C4X | C6X | H6 | 180.0° | 179.7° |
| C4X | C18X | C5X | H7 | 179.8° | 179.7° |
| C18X | C4X | C6X | H8 | 179.9° | 179.8° |
| C4X | C18X | C16X | H27 | 36.5° | 179.4° |
| O2X | C20X | C19X | O1X | 69.3° | 0.0° |
| O2X | C20X | N1X | H12 | 0.1° | 180.0° |
| O2X | C20X | C19X | H31 | 170.9° | 120.0° |
| O2X | C20X | C19X | H32 | 50.5° | 120.0° |
| C20X | C19X | O1X | C8X | 140.6° | 180.0° |
| C20X | C19X | O1X | H31 | 119.8° | 120.0° |
| C20X | C19X | O1X | H32 | 119.8° | 119.9° |
| C19X | C20X | N1X | H12 | 179.8° | 0.0° |
| C20X | C19X | H31 | H32 | 120.6° | 120.0° |
| O1X | C8X | C6X | C4X | 179.9° | 180.0° |
| O1X | C8X | C6X | H8 | 0.1° | 0.0° |
| C8X | O1X | C19X | H31 | 20.8° | 60.0° |
| C8X | O1X | C19X | H32 | 99.6° | 60.0° |
| C6X | C8X | O1X | C19X | 52.9° | 0.0° |
| C8X | C6X | C4X | H8 | 180.0° | 180.0° |
| C8X | C6X | C4X | H6 | 180.0° | 180.0° |
| O1X | C19X | H31 | H32 | 120.6° | 120.0° |
| H1 | C1X | C2X | H2 | 66.9° | 59.1° |
| H1 | C1X | C2X | H3 | 173.3° | 178.1° |
| H1 | C1X | C3X | H4 | 41.4° | 179.8° |
| H1 | C1X | C3X | H5 | 160.4° | 60.3° |
| H1 | C1X | N1X | H12 | 2.4° | 145.8° |
| H6 | C4X | C6X | H8 | 0.1° | 0.0° |
| H9 | C9X | H10 | H11 | 120.0° | 120.0° |
| H9 | C9X | C16X | H27 | 62.3° | 60.1° |
| H10 | C9X | C16X | H27 | 177.7° | 60.0° |
| H11 | C9X | C16X | H27 | 57.8° | 180.0° |
| H15 | C11X | H16 | H17 | 120.0° | 120.0° |
| H18 | C12X | H19 | H20 | 120.0° | 120.0° |
| H21 | C14X | H22 | H23 | 120.0° | 119.9° |
| H24 | C15X | H25 | H26 | 120.0° | 120.1° |
| H27 | C16X | C17X | H28 | 62.4° | 180.0° |
| H27 | C16X | C17X | H29 | 177.6° | 60.0° |
| H27 | C16X | C17X | H30 | 57.6° | 60.1° |
| H28 | C17X | H29 | H30 | 120.0° | 120.0° |
