052
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | O1 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| O1 | C2 | sing | 1.43Å | 1.40Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C4 | N1 | sing | 1.47Å | 1.48Å | |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C5 | sing | 1.47Å | 1.49Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C6 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | C7 | sing | 1.38Å | 1.44Å | |
| C7 | C8 | doub | 1.37Å | 1.36Å | Aromatic |
| C7 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.37Å | Aromatic |
| N5 | N4 | sing | 1.40Å | 1.35Å | Aromatic |
| N5 | C10 | doub | 1.31Å | 1.38Å | Aromatic |
| N4 | C12 | sing | 1.37Å | 1.34Å | Aromatic |
| C9 | O2 | sing | 1.35Å | 1.33Å | |
| C9 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| O2 | C16 | sing | 1.36Å | 1.40Å | |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | N3 | sing | 1.34Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C21 | sing | 1.48Å | 1.53Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.36Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.37Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.36Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C24 | sing | 1.51Å | 1.53Å | |
| C19 | C25 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C25 | sing | 1.40Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.47Å | 1.50Å | |
| O3 | C26 | doub | 1.22Å | 1.22Å | |
| C26 | N6 | sing | 1.35Å | 1.42Å | |
| N6 | C27 | sing | 1.47Å | 1.42Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.49Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C23 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| C6 | H26 | sing | 1.09Å | 1.10Å | |
| N2 | H27 | sing | 0.97Å | 1.00Å | |
| C8 | H28 | sing | 1.08Å | 1.08Å | |
| C10 | H29 | sing | 1.08Å | 1.08Å | |
| C15 | H30 | sing | 1.08Å | 1.08Å | |
| C20 | H31 | sing | 1.08Å | 1.08Å | |
| N6 | H32 | sing | 0.97Å | 1.00Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C3 | C4 | 110.6° | 109.3° |
| C3 | O1 | C2 | 116.8° | 113.7° |
| O1 | C3 | H18 | 109.2° | 109.5° |
| O1 | C3 | H19 | 109.2° | 109.5° |
| C3 | C4 | N1 | 113.3° | 109.3° |
| C4 | C3 | H18 | 109.2° | 109.5° |
| C4 | C3 | H19 | 109.2° | 109.5° |
| C3 | C4 | H20 | 108.5° | 109.6° |
| C3 | C4 | H21 | 108.5° | 109.5° |
| O1 | C2 | C1 | 110.3° | 109.2° |
| O1 | C2 | H16 | 109.3° | 109.5° |
| O1 | C2 | H17 | 109.3° | 109.6° |
| C2 | C1 | N1 | 114.2° | 109.3° |
| C2 | C1 | H14 | 108.3° | 109.5° |
| C2 | C1 | H15 | 108.3° | 109.6° |
| C1 | C2 | H16 | 109.3° | 109.5° |
| C1 | C2 | H17 | 109.3° | 109.5° |
| C4 | N1 | C1 | 111.3° | 110.8° |
| C4 | N1 | C5 | 122.9° | 111.0° |
| N1 | C4 | H20 | 108.5° | 109.5° |
| N1 | C4 | H21 | 108.5° | 109.5° |
| C1 | N1 | C5 | 121.8° | 111.0° |
| N1 | C1 | H14 | 108.3° | 109.4° |
| N1 | C1 | H15 | 108.3° | 109.5° |
| N1 | C5 | C6 | 108.0° | 109.4° |
| N1 | C5 | H23 | 109.8° | 109.5° |
| N1 | C5 | H24 | 109.8° | 109.5° |
| C5 | C6 | N2 | 112.4° | 109.5° |
| C6 | C5 | H23 | 109.8° | 109.5° |
| C6 | C5 | H24 | 109.9° | 109.5° |
| C5 | C6 | H25 | 108.7° | 109.5° |
| C5 | C6 | H26 | 108.7° | 109.5° |
| C6 | N2 | C7 | 123.6° | 120.0° |
| N2 | C6 | H25 | 108.7° | 109.5° |
| N2 | C6 | H26 | 108.7° | 109.4° |
| C6 | N2 | H27 | 105.8° | 120.0° |
| N2 | C7 | C8 | 121.9° | 120.4° |
| N2 | C7 | N4 | 120.4° | 120.5° |
| C7 | N2 | H27 | 105.9° | 120.0° |
| C8 | C7 | N4 | 117.7° | 119.1° |
| C7 | C8 | C9 | 118.0° | 119.3° |
| C7 | C8 | H28 | 121.0° | 120.3° |
| C7 | N4 | N5 | 126.5° | 132.3° |
| C7 | N4 | C12 | 123.3° | 119.7° |
| C8 | C9 | O2 | 115.1° | 119.9° |
| C8 | C9 | N3 | 125.1° | 120.1° |
| C9 | C8 | H28 | 121.0° | 120.4° |
| N4 | N5 | C10 | 107.3° | 109.3° |
| N5 | N4 | C12 | 110.1° | 108.0° |
| N5 | C10 | C11 | 107.4° | 108.8° |
| N5 | C10 | H29 | 126.3° | 125.6° |
| N4 | C12 | N3 | 120.3° | 120.8° |
| N4 | C12 | C11 | 108.1° | 106.7° |
| O2 | C9 | N3 | 119.7° | 119.9° |
| C9 | O2 | C16 | 115.2° | 118.1° |
| C9 | N3 | C12 | 115.5° | 121.0° |
| O2 | C16 | C17 | 119.1° | 120.0° |
| O2 | C16 | C15 | 120.4° | 120.1° |
| C10 | C11 | C12 | 106.9° | 107.1° |
| C10 | C11 | C21 | 127.5° | 126.4° |
| C11 | C10 | H29 | 126.3° | 125.6° |
| N3 | C12 | C11 | 131.6° | 132.5° |
| C12 | C11 | C21 | 125.5° | 126.5° |
| C11 | C21 | C20 | 120.5° | 120.0° |
| C11 | C21 | C22 | 121.3° | 120.0° |
| C17 | C16 | C15 | 120.5° | 119.9° |
| C16 | C17 | C18 | 119.1° | 119.9° |
| C16 | C17 | H3 | 120.5° | 120.1° |
| C16 | C15 | C14 | 120.5° | 120.0° |
| C16 | C15 | H30 | 119.8° | 120.0° |
| C17 | C18 | C13 | 120.9° | 120.1° |
| C18 | C17 | H3 | 120.5° | 120.0° |
| C17 | C18 | H4 | 119.5° | 120.0° |
| C20 | C21 | C22 | 118.1° | 120.0° |
| C21 | C20 | C19 | 124.4° | 120.0° |
| C21 | C20 | H31 | 117.8° | 120.0° |
| C21 | C22 | C23 | 119.6° | 120.0° |
| C21 | C22 | H5 | 120.2° | 120.0° |
| C15 | C14 | C13 | 119.6° | 120.0° |
| C15 | C14 | H2 | 120.2° | 119.9° |
| C14 | C15 | H30 | 119.8° | 120.0° |
| C18 | C13 | C14 | 119.4° | 120.1° |
| C18 | C13 | H1 | 120.3° | 119.9° |
| C13 | C18 | H4 | 119.5° | 119.9° |
| C20 | C19 | C24 | 119.9° | 120.0° |
| C20 | C19 | C25 | 116.5° | 120.0° |
| C19 | C20 | H31 | 117.8° | 120.0° |
| C22 | C23 | C25 | 121.1° | 119.9° |
| C23 | C22 | H5 | 120.2° | 120.0° |
| C22 | C23 | H6 | 119.4° | 120.0° |
| C14 | C13 | H1 | 120.3° | 120.0° |
| C13 | C14 | H2 | 120.2° | 120.0° |
| C24 | C19 | C25 | 123.5° | 120.0° |
| C19 | C24 | H7 | 109.5° | 109.5° |
| C19 | C24 | H8 | 109.5° | 109.5° |
| C19 | C24 | H9 | 109.5° | 109.5° |
| C19 | C25 | C23 | 120.2° | 120.0° |
| C19 | C25 | C26 | 121.0° | 120.1° |
| C23 | C25 | C26 | 118.7° | 120.0° |
| C25 | C23 | H6 | 119.4° | 120.0° |
| C25 | C26 | O3 | 118.9° | 120.0° |
| C25 | C26 | N6 | 120.3° | 120.0° |
| O3 | C26 | N6 | 120.7° | 120.0° |
| C26 | N6 | C27 | 120.4° | 120.0° |
| C26 | N6 | H32 | 119.8° | 120.0° |
| N6 | C27 | C28 | 110.6° | 117.5° |
| N6 | C27 | C29 | 111.8° | 117.5° |
| C27 | N6 | H32 | 119.8° | 120.0° |
| N6 | C27 | H33 | 121.4° | 115.5° |
| C28 | C27 | C29 | 58.6° | 60.0° |
| C27 | C28 | C29 | 60.8° | 60.0° |
| C27 | C28 | H10 | 119.9° | 117.5° |
| C27 | C28 | H11 | 119.9° | 117.5° |
| C28 | C27 | H33 | 119.3° | 117.5° |
| C27 | C29 | C28 | 60.5° | 60.0° |
| C27 | C29 | H12 | 119.9° | 117.5° |
| C27 | C29 | H13 | 119.9° | 117.5° |
| C29 | C27 | H33 | 119.2° | 117.5° |
| C29 | C28 | H10 | 119.9° | 117.5° |
| C29 | C28 | H11 | 119.9° | 117.5° |
| C28 | C29 | H12 | 119.9° | 117.5° |
| C28 | C29 | H13 | 119.9° | 117.5° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H7 | C24 | H9 | 109.4° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.4° |
| H10 | C28 | H11 | 109.5° | 115.5° |
| H12 | C29 | H13 | 109.5° | 115.6° |
| H14 | C1 | H15 | 109.4° | 109.5° |
| H16 | C2 | H17 | 109.5° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.5° |
| H20 | C4 | H21 | 109.5° | 109.5° |
| H23 | C5 | H24 | 109.5° | 109.5° |
| H25 | C6 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C3 | C4 | H18 | 120.2° | 119.9° |
| O1 | C3 | C4 | H19 | 120.2° | 120.0° |
| C3 | O1 | C2 | C1 | 46.2° | 58.7° |
| O1 | C3 | C4 | N1 | 12.4° | 56.8° |
| C3 | O1 | C2 | H16 | 73.9° | 61.2° |
| C3 | O1 | C2 | H17 | 166.3° | 178.7° |
| O1 | C3 | H18 | H19 | 119.5° | 120.1° |
| O1 | C3 | C4 | H20 | 108.1° | 176.8° |
| O1 | C3 | C4 | H21 | 133.0° | 63.1° |
| C4 | C3 | O1 | C2 | 59.5° | 58.7° |
| C3 | C4 | N1 | H20 | 120.6° | 120.0° |
| C3 | C4 | N1 | H21 | 120.6° | 119.9° |
| C3 | C4 | N1 | C1 | 40.5° | 58.6° |
| C3 | C4 | N1 | C5 | 161.6° | 177.6° |
| C4 | C3 | H18 | H19 | 119.5° | 120.1° |
| C3 | C4 | H20 | H21 | 118.3° | 120.1° |
| O1 | C2 | C1 | H16 | 120.1° | 120.0° |
| O1 | C2 | C1 | H17 | 120.1° | 120.0° |
| O1 | C2 | C1 | N1 | 12.1° | 56.8° |
| O1 | C2 | C1 | H14 | 108.6° | 63.0° |
| O1 | C2 | C1 | H15 | 132.8° | 176.8° |
| O1 | C2 | H16 | H17 | 119.6° | 120.2° |
| C2 | O1 | C3 | H18 | 179.7° | 61.2° |
| C2 | O1 | C3 | H19 | 60.6° | 178.6° |
| C2 | C1 | N1 | C4 | 54.3° | 58.6° |
| C2 | C1 | N1 | H14 | 120.7° | 119.9° |
| C2 | C1 | N1 | H15 | 120.7° | 120.0° |
| C2 | C1 | N1 | C5 | 147.5° | 177.6° |
| C2 | C1 | H14 | H15 | 117.8° | 120.2° |
| C1 | C2 | H16 | H17 | 119.6° | 120.1° |
| C4 | N1 | C1 | C5 | 158.1° | 123.8° |
| C4 | N1 | C5 | C6 | 47.6° | 66.4° |
| C4 | N1 | C1 | H14 | 66.4° | 61.4° |
| C4 | N1 | C1 | H15 | 175.0° | 178.6° |
| N1 | C4 | C3 | H18 | 132.5° | 63.1° |
| N1 | C4 | C3 | H19 | 107.8° | 176.8° |
| N1 | C4 | H20 | H21 | 118.3° | 120.1° |
| C4 | N1 | C5 | H23 | 167.4° | 53.7° |
| C4 | N1 | C5 | H24 | 72.2° | 173.7° |
| C1 | N1 | C5 | C6 | 108.0° | 170.0° |
| N1 | C1 | H14 | H15 | 117.8° | 120.1° |
| N1 | C1 | C2 | H16 | 132.2° | 63.1° |
| N1 | C1 | C2 | H17 | 108.0° | 176.8° |
| C1 | N1 | C4 | H20 | 161.0° | 178.6° |
| C1 | N1 | C4 | H21 | 80.1° | 61.4° |
| C1 | N1 | C5 | H23 | 11.8° | 70.0° |
| C1 | N1 | C5 | H24 | 132.2° | 50.0° |
| N1 | C5 | C6 | H23 | 119.8° | 120.0° |
| N1 | C5 | C6 | H24 | 119.8° | 120.0° |
| N1 | C5 | C6 | N2 | 173.4° | 180.0° |
| C5 | N1 | C1 | H14 | 91.7° | 62.5° |
| C5 | N1 | C1 | H15 | 26.8° | 57.6° |
| C5 | N1 | C4 | H20 | 41.1° | 57.6° |
| C5 | N1 | C4 | H21 | 77.8° | 62.4° |
| N1 | C5 | H23 | H24 | 120.7° | 120.0° |
| N1 | C5 | C6 | H25 | 53.0° | 60.0° |
| N1 | C5 | C6 | H26 | 66.1° | 60.0° |
| C5 | C6 | N2 | H25 | 120.5° | 120.1° |
| C5 | C6 | N2 | H26 | 120.4° | 120.0° |
| C5 | C6 | N2 | C7 | 66.3° | 180.0° |
| C6 | C5 | H23 | H24 | 120.7° | 120.0° |
| C5 | C6 | H25 | H26 | 118.7° | 120.0° |
| C5 | C6 | N2 | H27 | 55.6° | 0.0° |
| C6 | N2 | C7 | H27 | 121.9° | 180.0° |
| C6 | N2 | C7 | C8 | 60.6° | 0.0° |
| C6 | N2 | C7 | N4 | 123.3° | 180.0° |
| N2 | C6 | C5 | H23 | 66.8° | 60.0° |
| N2 | C6 | C5 | H24 | 53.6° | 60.1° |
| N2 | C6 | H25 | H26 | 118.6° | 119.9° |
| N2 | C7 | C8 | N4 | 176.2° | 180.0° |
| N2 | C7 | C8 | C9 | 178.2° | 180.0° |
| N2 | C7 | N4 | N5 | 4.3° | 0.1° |
| N2 | C7 | N4 | C12 | 178.8° | 180.0° |
| C7 | N2 | C6 | H25 | 173.3° | 60.0° |
| C7 | N2 | C6 | H26 | 54.1° | 60.0° |
| N2 | C7 | C8 | H28 | 1.8° | 0.0° |
| C7 | C8 | C9 | H28 | 180.0° | 180.0° |
| C8 | C7 | N4 | N5 | 179.5° | 179.9° |
| C8 | C7 | N4 | C12 | 2.6° | 0.0° |
| C7 | C8 | C9 | O2 | 179.7° | 180.0° |
| C7 | C8 | C9 | N3 | 1.2° | 0.0° |
| C8 | C7 | N2 | H27 | 61.3° | 180.0° |
| N4 | C7 | C8 | C9 | 2.0° | 0.0° |
| C7 | N4 | N5 | C12 | 177.2° | 179.9° |
| C7 | N4 | N5 | C10 | 179.2° | 179.8° |
| C7 | N4 | C12 | N3 | 2.3° | 0.1° |
| C7 | N4 | C12 | C11 | 178.7° | 180.0° |
| N4 | C7 | N2 | H27 | 114.8° | 0.0° |
| N4 | C7 | C8 | H28 | 178.0° | 180.0° |
| C8 | C9 | O2 | N3 | 179.1° | 180.0° |
| C8 | C9 | O2 | C16 | 171.1° | 176.2° |
| C8 | C9 | N3 | C12 | 0.8° | 0.0° |
| N4 | N5 | C10 | C11 | 4.3° | 0.2° |
| N5 | N4 | C12 | N3 | 179.6° | 179.8° |
| N5 | N4 | C12 | C11 | 1.4° | 0.1° |
| N4 | N5 | C10 | H29 | 175.6° | 179.8° |
| C10 | N5 | N4 | C12 | 3.6° | 0.1° |
| N5 | C10 | C11 | H29 | 180.0° | 180.0° |
| N5 | C10 | C11 | C12 | 3.5° | 0.2° |
| N5 | C10 | C11 | C21 | 179.9° | 180.0° |
| N4 | C12 | N3 | C9 | 1.3° | 0.0° |
| N4 | C12 | C11 | C10 | 1.4° | 0.2° |
| N4 | C12 | N3 | C11 | 178.8° | 179.9° |
| N4 | C12 | C11 | C21 | 177.8° | 179.9° |
| O2 | C9 | N3 | C12 | 179.8° | 180.0° |
| C9 | O2 | C16 | C17 | 91.5° | 75.2° |
| C9 | O2 | C16 | C15 | 90.9° | 104.9° |
| O2 | C9 | C8 | H28 | 0.3° | 0.0° |
| N3 | C9 | O2 | C16 | 8.0° | 3.9° |
| C9 | N3 | C12 | C11 | 180.0° | 179.9° |
| N3 | C9 | C8 | H28 | 178.7° | 180.0° |
| O2 | C16 | C17 | C15 | 177.6° | 179.8° |
| O2 | C16 | C17 | C18 | 176.6° | 180.0° |
| O2 | C16 | C15 | C14 | 176.5° | 180.0° |
| O2 | C16 | C17 | H3 | 3.4° | 0.2° |
| O2 | C16 | C15 | H30 | 3.5° | 0.2° |
| C10 | C11 | C12 | N3 | 177.5° | 179.7° |
| C10 | C11 | C12 | C21 | 176.5° | 179.8° |
| C10 | C11 | C21 | C20 | 167.7° | 50.0° |
| C10 | C11 | C21 | C22 | 16.2° | 130.0° |
| N3 | C12 | C11 | C21 | 1.0° | 0.0° |
| C12 | C11 | C21 | C20 | 16.5° | 129.8° |
| C12 | C11 | C21 | C22 | 159.5° | 50.2° |
| C12 | C11 | C10 | H29 | 176.5° | 179.8° |
| C11 | C21 | C20 | C22 | 176.2° | 180.0° |
| C11 | C21 | C20 | C19 | 178.4° | 179.9° |
| C11 | C21 | C22 | C23 | 179.2° | 179.8° |
| C11 | C21 | C22 | H5 | 0.7° | 0.0° |
| C21 | C11 | C10 | H29 | 0.1° | 0.0° |
| C11 | C21 | C20 | H31 | 1.6° | 0.0° |
| C16 | C17 | C18 | H3 | 180.0° | 179.8° |
| C17 | C16 | C15 | C14 | 1.1° | 0.2° |
| C16 | C17 | C18 | C13 | 0.2° | 0.0° |
| C16 | C17 | C18 | H4 | 179.8° | 179.9° |
| C17 | C16 | C15 | H30 | 178.9° | 179.9° |
| C15 | C16 | C17 | C18 | 1.1° | 0.2° |
| C16 | C15 | C14 | H30 | 180.0° | 179.8° |
| C16 | C15 | C14 | C13 | 0.2° | 0.0° |
| C16 | C15 | C14 | H2 | 179.7° | 180.0° |
| C15 | C16 | C17 | H3 | 178.9° | 180.0° |
| C17 | C18 | C13 | H4 | 180.0° | 180.0° |
| C17 | C18 | C13 | C14 | 0.7° | 0.2° |
| C17 | C18 | C13 | H1 | 179.3° | 180.0° |
| C21 | C20 | C19 | H31 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 3.1° | 0.2° |
| C21 | C20 | C19 | C24 | 179.4° | 180.0° |
| C21 | C20 | C19 | C25 | 1.0° | 0.4° |
| C20 | C21 | C22 | H5 | 176.9° | 180.0° |
| C22 | C21 | C20 | C19 | 2.3° | 0.1° |
| C21 | C22 | C23 | H5 | 180.0° | 179.8° |
| C21 | C22 | C23 | C25 | 2.9° | 0.2° |
| C21 | C22 | C23 | H6 | 177.1° | 180.0° |
| C22 | C21 | C20 | H31 | 177.8° | 180.0° |
| C15 | C14 | C13 | C18 | 0.6° | 0.2° |
| C15 | C14 | C13 | H2 | 180.0° | 180.0° |
| C15 | C14 | C13 | H1 | 179.3° | 180.0° |
| C18 | C13 | C14 | H1 | 180.0° | 179.8° |
| C18 | C13 | C14 | H2 | 179.4° | 179.8° |
| C13 | C18 | C17 | H3 | 179.8° | 179.8° |
| C20 | C19 | C24 | C25 | 178.2° | 179.7° |
| C20 | C19 | C25 | C23 | 0.7° | 0.3° |
| C20 | C19 | C25 | C26 | 178.0° | 179.7° |
| C20 | C19 | C24 | H7 | 89.1° | 96.5° |
| C20 | C19 | C24 | H8 | 150.8° | 23.4° |
| C20 | C19 | C24 | H9 | 30.8° | 143.4° |
| C22 | C23 | C25 | C19 | 1.7° | 0.0° |
| C22 | C23 | C25 | H6 | 180.0° | 179.8° |
| C22 | C23 | C25 | C26 | 179.1° | 180.0° |
| C14 | C13 | C18 | H4 | 179.3° | 179.7° |
| C13 | C14 | C15 | H30 | 179.8° | 179.7° |
| C24 | C19 | C25 | C23 | 179.0° | 180.0° |
| C24 | C19 | C25 | C26 | 3.7° | 0.0° |
| C19 | C24 | H7 | H8 | 120.0° | 120.0° |
| C19 | C24 | H7 | H9 | 120.0° | 120.0° |
| C19 | C24 | H8 | H9 | 120.0° | 120.0° |
| C24 | C19 | C20 | H31 | 0.7° | 0.1° |
| C19 | C25 | C23 | C26 | 177.4° | 180.0° |
| C19 | C25 | C26 | O3 | 54.3° | 5.9° |
| C19 | C25 | C26 | N6 | 129.5° | 174.1° |
| C19 | C25 | C23 | H6 | 178.3° | 179.7° |
| C25 | C19 | C24 | H7 | 89.1° | 83.8° |
| C25 | C19 | C24 | H8 | 31.0° | 156.2° |
| C25 | C19 | C24 | H9 | 151.0° | 36.2° |
| C25 | C19 | C20 | H31 | 179.0° | 179.7° |
| C23 | C25 | C26 | O3 | 123.1° | 174.1° |
| C23 | C25 | C26 | N6 | 53.2° | 5.9° |
| C25 | C23 | C22 | H5 | 177.1° | 180.0° |
| C25 | C26 | O3 | N6 | 176.2° | 180.0° |
| C25 | C26 | N6 | C27 | 176.7° | 180.0° |
| C26 | C25 | C23 | H6 | 0.9° | 0.2° |
| C25 | C26 | N6 | H32 | 3.3° | 0.0° |
| O3 | C26 | N6 | C27 | 0.5° | 0.0° |
| O3 | C26 | N6 | H32 | 179.5° | 180.0° |
| C26 | N6 | C27 | H32 | 180.0° | 179.9° |
| C26 | N6 | C27 | C28 | 90.2° | 155.0° |
| C26 | N6 | C27 | C29 | 153.5° | 136.4° |
| C26 | N6 | C27 | H33 | 57.2° | 9.3° |
| N6 | C27 | C28 | C29 | 103.7° | 107.5° |
| N6 | C27 | C28 | H33 | 148.1° | 145.0° |
| N6 | C27 | C29 | H33 | 150.1° | 145.0° |
| N6 | C27 | C28 | H10 | 6.0° | 145.0° |
| N6 | C27 | C28 | H11 | 146.6° | 0.0° |
| N6 | C27 | C29 | H12 | 148.9° | 0.1° |
| N6 | C27 | C29 | H13 | 8.1° | 145.0° |
| C28 | C27 | C29 | H33 | 108.4° | 107.5° |
| C27 | C28 | C29 | H10 | 109.7° | 107.5° |
| C27 | C28 | C29 | H11 | 109.7° | 107.5° |
| C27 | C28 | H10 | H11 | 144.3° | 145.7° |
| C28 | C27 | C29 | H12 | 109.6° | 107.4° |
| C28 | C27 | C29 | H13 | 109.6° | 107.5° |
| C28 | C27 | N6 | H32 | 89.8° | 25.0° |
| C27 | C29 | H12 | H13 | 144.5° | 145.8° |
| C29 | C27 | N6 | H32 | 26.5° | 43.7° |
| C29 | C28 | H10 | H11 | 144.3° | 145.7° |
| C28 | C29 | H12 | H13 | 144.4° | 145.7° |
| H1 | C13 | C14 | H2 | 0.6° | 0.0° |
| H1 | C13 | C18 | H4 | 0.7° | 0.1° |
| H2 | C14 | C15 | H30 | 0.2° | 0.2° |
| H3 | C17 | C18 | H4 | 0.2° | 0.3° |
| H5 | C22 | C23 | H6 | 3.0° | 0.2° |
| H7 | C24 | H8 | H9 | 119.9° | 120.0° |
| H10 | C28 | C29 | H12 | 140.7° | 145.0° |
| H10 | C28 | C29 | H13 | 0.1° | 0.0° |
| H10 | C28 | C27 | H33 | 142.1° | 0.0° |
| H11 | C28 | C29 | H12 | 0.1° | 0.0° |
| H11 | C28 | C29 | H13 | 140.7° | 145.0° |
| H11 | C28 | C27 | H33 | 1.5° | 145.0° |
| H12 | C29 | C27 | H33 | 1.2° | 145.0° |
| H13 | C29 | C27 | H33 | 142.0° | 0.1° |
| H14 | C1 | C2 | H16 | 11.5° | 177.0° |
| H14 | C1 | C2 | H17 | 131.3° | 56.9° |
| H15 | C1 | C2 | H16 | 107.1° | 56.9° |
| H15 | C1 | C2 | H17 | 12.7° | 63.2° |
| H18 | C3 | C4 | H20 | 12.0° | 56.9° |
| H18 | C3 | C4 | H21 | 106.9° | 177.0° |
| H19 | C3 | C4 | H20 | 131.7° | 63.2° |
| H19 | C3 | C4 | H21 | 12.8° | 56.9° |
| H23 | C5 | C6 | H25 | 172.7° | 180.0° |
| H23 | C5 | C6 | H26 | 53.6° | 60.0° |
| H24 | C5 | C6 | H25 | 66.8° | 60.0° |
| H24 | C5 | C6 | H26 | 174.1° | 180.0° |
| H25 | C6 | N2 | H27 | 64.8° | 120.0° |
| H26 | C6 | N2 | H27 | 176.1° | 120.0° |
| H32 | N6 | C27 | H33 | 122.8° | 170.7° |
