8YZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.34Å | Aromatic |
| O6 | C29 | sing | 1.43Å | 1.46Å | |
| O6 | C26 | sing | 1.36Å | 1.39Å | |
| C29 | C28 | sing | 1.53Å | 1.48Å | |
| C32 | C23 | sing | 1.39Å | 1.36Å | Aromatic |
| C34 | C20 | doub | 1.38Å | 1.35Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.46Å | Aromatic |
| C28 | O5 | sing | 1.43Å | 1.45Å | |
| C23 | C24 | sing | 1.48Å | 1.52Å | |
| C23 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.43Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.44Å | |
| C24 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| O4 | C19 | sing | 1.43Å | 1.48Å | |
| O4 | C18 | sing | 1.36Å | 1.34Å | |
| C21 | C22 | sing | 1.51Å | 1.47Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C27 | O5 | sing | 1.36Å | 1.38Å | |
| C27 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C6 | doub | 1.39Å | 1.52Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.43Å | Aromatic |
| C17 | C8 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C4 | sing | 1.39Å | 1.49Å | Aromatic |
| C8 | O3 | sing | 1.36Å | 1.36Å | |
| C4 | C3 | sing | 1.51Å | 1.48Å | |
| C9 | O3 | sing | 1.43Å | 1.41Å | |
| C9 | C10 | sing | 1.51Å | 1.49Å | |
| C16 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | C15 | trip | 1.14Å | 1.18Å | |
| C3 | N | sing | 1.47Å | 1.48Å | |
| C15 | C14 | sing | 1.43Å | 1.30Å | |
| C14 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| N | C1 | sing | 1.47Å | 1.50Å | |
| O2 | C2 | doub | 1.21Å | 1.25Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C2 | O1 | sing | 1.34Å | 1.33Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C | O | sing | 1.43Å | 1.43Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| N | H9 | sing | 1.01Å | 1.00Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| O | H15 | sing | 0.97Å | 0.95Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C5 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.08Å | 1.08Å | |
| C33 | H24 | sing | 1.08Å | 1.08Å | |
| C32 | H25 | sing | 1.08Å | 1.08Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C33 | C34 | 119.2° | 120.1° |
| C33 | C32 | C23 | 123.0° | 119.9° |
| C32 | C33 | H24 | 120.4° | 120.0° |
| C33 | C32 | H25 | 118.5° | 120.0° |
| C33 | C34 | C20 | 121.1° | 120.2° |
| C33 | C34 | H23 | 119.5° | 119.9° |
| C34 | C33 | H24 | 120.4° | 119.9° |
| C29 | O6 | C26 | 123.9° | 116.7° |
| O6 | C29 | C28 | 109.0° | 108.2° |
| O6 | C29 | H33 | 109.6° | 109.7° |
| O6 | C29 | H34 | 109.6° | 109.7° |
| O6 | C26 | C25 | 122.9° | 119.3° |
| O6 | C26 | C27 | 118.0° | 120.8° |
| C29 | C28 | O5 | 108.4° | 108.3° |
| C29 | C28 | H31 | 109.8° | 109.7° |
| C29 | C28 | H32 | 109.7° | 109.7° |
| C28 | C29 | H33 | 109.6° | 109.7° |
| C28 | C29 | H34 | 109.6° | 109.8° |
| C32 | C23 | C24 | 118.5° | 120.2° |
| C32 | C23 | C21 | 118.3° | 119.7° |
| C23 | C32 | H25 | 118.5° | 120.0° |
| C34 | C20 | C21 | 120.8° | 120.1° |
| C34 | C20 | C19 | 119.6° | 119.9° |
| C20 | C34 | H23 | 119.5° | 119.9° |
| C26 | C25 | C24 | 118.6° | 120.0° |
| C25 | C26 | C27 | 119.1° | 119.9° |
| C26 | C25 | H35 | 120.7° | 120.0° |
| C25 | C24 | C23 | 113.9° | 120.1° |
| C25 | C24 | C31 | 122.7° | 119.9° |
| C24 | C25 | H35 | 120.7° | 120.1° |
| C26 | C27 | O5 | 114.3° | 120.7° |
| C26 | C27 | C30 | 121.3° | 120.1° |
| C28 | O5 | C27 | 125.4° | 116.7° |
| O5 | C28 | H31 | 109.8° | 109.7° |
| O5 | C28 | H32 | 109.7° | 109.7° |
| C24 | C23 | C21 | 123.2° | 120.2° |
| C23 | C24 | C31 | 123.4° | 120.0° |
| C23 | C21 | C20 | 117.5° | 119.9° |
| C23 | C21 | C22 | 119.8° | 120.0° |
| C21 | C20 | C19 | 119.6° | 120.0° |
| C20 | C21 | C22 | 122.6° | 120.1° |
| C20 | C19 | O4 | 102.4° | 109.5° |
| C20 | C19 | H21 | 111.2° | 109.4° |
| C20 | C19 | H22 | 111.2° | 109.4° |
| C24 | C31 | C30 | 119.2° | 119.9° |
| C24 | C31 | H29 | 120.4° | 120.1° |
| C19 | O4 | C18 | 108.9° | 117.0° |
| O4 | C19 | H21 | 111.2° | 109.5° |
| O4 | C19 | H22 | 111.2° | 109.5° |
| O4 | C18 | C6 | 120.9° | 120.1° |
| O4 | C18 | C17 | 119.3° | 120.0° |
| C21 | C22 | H26 | 109.5° | 109.5° |
| C21 | C22 | H27 | 109.4° | 109.5° |
| C21 | C22 | H28 | 109.5° | 109.4° |
| C7 | C6 | C18 | 122.0° | 120.0° |
| C7 | C6 | C5 | 118.0° | 119.9° |
| C6 | C7 | H17 | 109.5° | 109.5° |
| C6 | C7 | H18 | 109.4° | 109.5° |
| C6 | C7 | H19 | 109.5° | 109.5° |
| O5 | C27 | C30 | 124.3° | 119.3° |
| C27 | C30 | C31 | 118.8° | 120.3° |
| C27 | C30 | H30 | 120.6° | 119.9° |
| C6 | C18 | C17 | 119.9° | 119.9° |
| C18 | C6 | C5 | 119.9° | 120.1° |
| C18 | C17 | C8 | 118.4° | 119.9° |
| C18 | C17 | H16 | 120.8° | 120.0° |
| C6 | C5 | C4 | 119.9° | 120.1° |
| C6 | C5 | H20 | 120.1° | 119.9° |
| C30 | C31 | H29 | 120.4° | 120.0° |
| C31 | C30 | H30 | 120.6° | 119.8° |
| C17 | C8 | C4 | 120.0° | 119.9° |
| C17 | C8 | O3 | 123.7° | 120.0° |
| C8 | C17 | H16 | 120.8° | 120.1° |
| C5 | C4 | C8 | 121.9° | 120.1° |
| C5 | C4 | C3 | 120.1° | 120.0° |
| C4 | C5 | H20 | 120.0° | 120.0° |
| C4 | C8 | O3 | 116.2° | 120.0° |
| C8 | C4 | C3 | 117.9° | 120.0° |
| C8 | O3 | C9 | 121.0° | 117.0° |
| C4 | C3 | N | 102.3° | 109.5° |
| C4 | C3 | H7 | 111.3° | 109.5° |
| C4 | C3 | H8 | 111.2° | 109.5° |
| O3 | C9 | C10 | 106.1° | 109.5° |
| O3 | C9 | H5 | 110.3° | 109.5° |
| O3 | C9 | H6 | 110.3° | 109.5° |
| C9 | C10 | C16 | 124.4° | 119.9° |
| C9 | C10 | C11 | 115.2° | 119.9° |
| C10 | C9 | H5 | 110.3° | 109.4° |
| C10 | C9 | H6 | 110.3° | 109.5° |
| C10 | C16 | C14 | 119.7° | 119.8° |
| C16 | C10 | C11 | 120.4° | 120.2° |
| C10 | C16 | H4 | 120.1° | 120.1° |
| C16 | C14 | C15 | 120.3° | 120.1° |
| C16 | C14 | C13 | 119.1° | 119.7° |
| C14 | C16 | H4 | 120.2° | 120.0° |
| C10 | C11 | C12 | 119.9° | 120.3° |
| C10 | C11 | H3 | 120.1° | 119.8° |
| N1 | C15 | C14 | 172.0° | 180.0° |
| C3 | N | C1 | 109.4° | 111.0° |
| N | C3 | H7 | 111.2° | 109.4° |
| N | C3 | H8 | 111.2° | 109.5° |
| C3 | N | H9 | 109.5° | 111.0° |
| C15 | C14 | C13 | 120.5° | 120.2° |
| C14 | C13 | C12 | 119.4° | 119.8° |
| C14 | C13 | H1 | 120.3° | 120.1° |
| C11 | C12 | C13 | 121.4° | 120.2° |
| C11 | C12 | H2 | 119.3° | 119.9° |
| C12 | C11 | H3 | 120.1° | 119.8° |
| C12 | C13 | H1 | 120.3° | 120.1° |
| C13 | C12 | H2 | 119.3° | 119.9° |
| N | C1 | C2 | 114.7° | 109.5° |
| N | C1 | C | 104.4° | 109.4° |
| C1 | N | H9 | 109.5° | 111.1° |
| N | C1 | H11 | 108.4° | 109.5° |
| O2 | C2 | C1 | 125.2° | 120.0° |
| O2 | C2 | O1 | 117.8° | 120.0° |
| C1 | C2 | O1 | 117.0° | 120.0° |
| C2 | C1 | C | 113.3° | 109.4° |
| C2 | C1 | H11 | 107.8° | 109.5° |
| C2 | O1 | H12 | 109.5° | 117.0° |
| C1 | C | O | 110.8° | 109.5° |
| C | C1 | H11 | 108.0° | 109.5° |
| C1 | C | H13 | 109.1° | 109.5° |
| C1 | C | H14 | 109.1° | 109.5° |
| O | C | H13 | 109.2° | 109.5° |
| O | C | H14 | 109.1° | 109.4° |
| C | O | H15 | 109.5° | 114.0° |
| H5 | C9 | H6 | 109.4° | 109.5° |
| H7 | C3 | H8 | 109.5° | 109.4° |
| H13 | C | H14 | 109.5° | 109.5° |
| H17 | C7 | H18 | 109.5° | 109.4° |
| H17 | C7 | H19 | 109.5° | 109.4° |
| H18 | C7 | H19 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H26 | C22 | H27 | 109.5° | 109.5° |
| H26 | C22 | H28 | 109.5° | 109.5° |
| H27 | C22 | H28 | 109.5° | 109.5° |
| H31 | C28 | H32 | 109.5° | 109.7° |
| H33 | C29 | H34 | 109.4° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C33 | C34 | H24 | 180.0° | 180.0° |
| C33 | C32 | C23 | H25 | 180.0° | 180.0° |
| C32 | C33 | C34 | C20 | 2.5° | 0.0° |
| C33 | C32 | C23 | C24 | 179.8° | 180.0° |
| C33 | C32 | C23 | C21 | 1.1° | 0.0° |
| C32 | C33 | C34 | H23 | 177.4° | 180.0° |
| C34 | C33 | C32 | C23 | 1.4° | 0.0° |
| C33 | C34 | C20 | H23 | 180.0° | 180.0° |
| C33 | C34 | C20 | C21 | 3.4° | 0.0° |
| C33 | C34 | C20 | C19 | 178.1° | 179.8° |
| C34 | C33 | C32 | H25 | 178.5° | 180.0° |
| O6 | C29 | C28 | H33 | 120.0° | 119.7° |
| O6 | C29 | C28 | H34 | 119.9° | 119.7° |
| C29 | O6 | C26 | C25 | 166.7° | 163.1° |
| C29 | O6 | C26 | C27 | 10.8° | 17.2° |
| O6 | C29 | C28 | O5 | 49.6° | 59.8° |
| O6 | C29 | C28 | H31 | 70.2° | 179.5° |
| O6 | C29 | C28 | H32 | 169.5° | 59.9° |
| O6 | C29 | H33 | H34 | 120.2° | 120.6° |
| C26 | O6 | C29 | C28 | 38.0° | 46.2° |
| O6 | C26 | C25 | C27 | 177.5° | 179.7° |
| O6 | C26 | C25 | C24 | 178.0° | 179.8° |
| O6 | C26 | C27 | O5 | 1.6° | 0.3° |
| O6 | C26 | C27 | C30 | 178.0° | 179.8° |
| C26 | O6 | C29 | H33 | 157.9° | 73.4° |
| C26 | O6 | C29 | H34 | 81.9° | 166.0° |
| O6 | C26 | C25 | H35 | 2.0° | 0.2° |
| C29 | C28 | O5 | H31 | 119.8° | 119.7° |
| C29 | C28 | O5 | H32 | 119.8° | 119.8° |
| C29 | C28 | O5 | C27 | 45.1° | 46.2° |
| C29 | C28 | H31 | H32 | 120.5° | 120.6° |
| C28 | C29 | H33 | H34 | 120.2° | 120.6° |
| C32 | C23 | C24 | C25 | 64.8° | 55.7° |
| C32 | C23 | C24 | C21 | 178.6° | 180.0° |
| C32 | C23 | C21 | C20 | 1.8° | 0.0° |
| C32 | C23 | C24 | C31 | 114.3° | 124.0° |
| C32 | C23 | C21 | C22 | 179.5° | 179.8° |
| C23 | C32 | C33 | H24 | 178.6° | 180.0° |
| C34 | C20 | C21 | C23 | 3.0° | 0.0° |
| C34 | C20 | C21 | C19 | 178.5° | 179.7° |
| C34 | C20 | C19 | O4 | 15.4° | 0.3° |
| C34 | C20 | C21 | C22 | 178.4° | 179.7° |
| C34 | C20 | C19 | H21 | 134.3° | 119.8° |
| C34 | C20 | C19 | H22 | 103.4° | 120.3° |
| C20 | C34 | C33 | H24 | 177.5° | 179.9° |
| C26 | C25 | C24 | H35 | 180.0° | 179.7° |
| C26 | C25 | C24 | C23 | 175.7° | 179.7° |
| C26 | C25 | C24 | C31 | 3.4° | 0.6° |
| C25 | C26 | C27 | O5 | 179.2° | 179.9° |
| C25 | C26 | C27 | C30 | 4.4° | 0.1° |
| C24 | C25 | C26 | C27 | 4.6° | 0.5° |
| C25 | C24 | C23 | C31 | 179.1° | 179.7° |
| C25 | C24 | C23 | C21 | 113.8° | 124.3° |
| C25 | C24 | C31 | C30 | 1.7° | 0.4° |
| C25 | C24 | C31 | H29 | 178.3° | 179.7° |
| C26 | C27 | O5 | C28 | 17.7° | 17.1° |
| C26 | C27 | O5 | C30 | 176.3° | 179.9° |
| C26 | C27 | C30 | C31 | 2.7° | 0.1° |
| C26 | C27 | C30 | H30 | 177.3° | 179.9° |
| C27 | C26 | C25 | H35 | 175.4° | 179.9° |
| C28 | O5 | C27 | C30 | 158.6° | 162.9° |
| O5 | C28 | H31 | H32 | 120.5° | 120.5° |
| O5 | C28 | C29 | H33 | 169.6° | 59.8° |
| O5 | C28 | C29 | H34 | 70.3° | 179.5° |
| C24 | C23 | C21 | C20 | 179.5° | 180.0° |
| C24 | C23 | C21 | C22 | 0.8° | 0.2° |
| C23 | C24 | C31 | C30 | 177.2° | 180.0° |
| C24 | C23 | C32 | H25 | 0.1° | 0.0° |
| C23 | C24 | C31 | H29 | 2.8° | 0.0° |
| C23 | C24 | C25 | H35 | 4.3° | 0.1° |
| C23 | C21 | C20 | C22 | 178.7° | 179.7° |
| C23 | C21 | C20 | C19 | 178.5° | 179.7° |
| C21 | C23 | C24 | C31 | 67.1° | 56.0° |
| C21 | C23 | C32 | H25 | 178.8° | 180.0° |
| C23 | C21 | C22 | H26 | 90.6° | 87.0° |
| C23 | C21 | C22 | H27 | 149.3° | 33.0° |
| C23 | C21 | C22 | H28 | 29.4° | 153.0° |
| C21 | C20 | C19 | O4 | 166.0° | 180.0° |
| C21 | C20 | C19 | H21 | 47.2° | 60.0° |
| C21 | C20 | C19 | H22 | 75.1° | 60.0° |
| C21 | C20 | C34 | H23 | 176.6° | 180.0° |
| C20 | C21 | C22 | H26 | 90.7° | 93.3° |
| C20 | C21 | C22 | H27 | 29.3° | 146.7° |
| C20 | C21 | C22 | H28 | 149.3° | 26.8° |
| C20 | C19 | O4 | H21 | 118.9° | 120.0° |
| C20 | C19 | O4 | H22 | 118.9° | 120.0° |
| C20 | C19 | O4 | C18 | 164.8° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C20 | C19 | H21 | H22 | 123.3° | 119.9° |
| C19 | C20 | C34 | H23 | 1.9° | 0.3° |
| C24 | C31 | C30 | C27 | 1.4° | 0.0° |
| C24 | C31 | C30 | H29 | 180.0° | 180.0° |
| C24 | C31 | C30 | H30 | 178.7° | 180.0° |
| C31 | C24 | C25 | H35 | 176.6° | 179.7° |
| C19 | O4 | C18 | C6 | 146.6° | 180.0° |
| C19 | O4 | C18 | C17 | 33.2° | 0.2° |
| O4 | C19 | H21 | H22 | 123.3° | 120.1° |
| O4 | C18 | C6 | C7 | 0.3° | 0.2° |
| O4 | C18 | C6 | C17 | 179.8° | 179.8° |
| O4 | C18 | C6 | C5 | 179.5° | 180.0° |
| O4 | C18 | C17 | C8 | 179.3° | 179.7° |
| O4 | C18 | C17 | H16 | 0.8° | 0.2° |
| C18 | O4 | C19 | H21 | 46.0° | 60.0° |
| C18 | O4 | C19 | H22 | 76.3° | 60.0° |
| C21 | C22 | H26 | H27 | 120.0° | 120.0° |
| C21 | C22 | H26 | H28 | 120.0° | 120.0° |
| C21 | C22 | H27 | H28 | 120.0° | 120.0° |
| C7 | C6 | C18 | C5 | 179.8° | 179.8° |
| C7 | C6 | C18 | C17 | 179.4° | 180.0° |
| C7 | C6 | C5 | C4 | 178.4° | 179.7° |
| C6 | C7 | H17 | H18 | 120.0° | 120.0° |
| C6 | C7 | H17 | H19 | 120.0° | 120.0° |
| C6 | C7 | H18 | H19 | 120.0° | 120.0° |
| C7 | C6 | C5 | H20 | 1.6° | 0.3° |
| O5 | C27 | C30 | C31 | 178.8° | 179.8° |
| O5 | C27 | C30 | H30 | 1.3° | 0.2° |
| C27 | O5 | C28 | H31 | 74.8° | 166.0° |
| C27 | O5 | C28 | H32 | 164.9° | 73.5° |
| C27 | C30 | C31 | H30 | 180.0° | 180.0° |
| C27 | C30 | C31 | H29 | 178.6° | 180.0° |
| C6 | C18 | C17 | C8 | 1.0° | 0.0° |
| C18 | C6 | C5 | C4 | 1.5° | 0.5° |
| C6 | C18 | C17 | H16 | 179.0° | 179.9° |
| C18 | C6 | C7 | H17 | 90.1° | 90.0° |
| C18 | C6 | C7 | H18 | 149.9° | 150.0° |
| C18 | C6 | C7 | H19 | 29.9° | 29.9° |
| C18 | C6 | C5 | H20 | 178.5° | 180.0° |
| C17 | C18 | C6 | C5 | 0.7° | 0.2° |
| C18 | C17 | C8 | H16 | 180.0° | 179.9° |
| C18 | C17 | C8 | C4 | 0.8° | 0.0° |
| C18 | C17 | C8 | O3 | 178.4° | 179.7° |
| C6 | C5 | C4 | H20 | 180.0° | 179.5° |
| C6 | C5 | C4 | C8 | 3.4° | 0.5° |
| C6 | C5 | C4 | C3 | 179.6° | 179.5° |
| C5 | C6 | C7 | H17 | 90.1° | 89.7° |
| C5 | C6 | C7 | H18 | 29.9° | 30.2° |
| C5 | C6 | C7 | H19 | 149.9° | 150.3° |
| C17 | C8 | C4 | C5 | 3.1° | 0.3° |
| C17 | C8 | C4 | O3 | 177.7° | 179.7° |
| C17 | C8 | C4 | C3 | 179.4° | 179.7° |
| C17 | C8 | O3 | C9 | 8.6° | 0.3° |
| C5 | C4 | C8 | C3 | 176.3° | 180.0° |
| C5 | C4 | C8 | O3 | 179.2° | 180.0° |
| C5 | C4 | C3 | N | 95.7° | 100.0° |
| C5 | C4 | C3 | H7 | 145.5° | 20.0° |
| C5 | C4 | C3 | H8 | 23.2° | 140.0° |
| C4 | C8 | O3 | C9 | 169.1° | 180.0° |
| C8 | C4 | C3 | N | 80.7° | 80.0° |
| C8 | C4 | C3 | H7 | 38.1° | 160.0° |
| C8 | C4 | C3 | H8 | 160.5° | 40.0° |
| C4 | C8 | C17 | H16 | 179.2° | 179.9° |
| C8 | C4 | C5 | H20 | 176.6° | 180.0° |
| O3 | C8 | C4 | C3 | 2.9° | 0.0° |
| C8 | O3 | C9 | C10 | 169.4° | 180.0° |
| C8 | O3 | C9 | H5 | 71.2° | 60.0° |
| C8 | O3 | C9 | H6 | 49.9° | 60.0° |
| O3 | C8 | C17 | H16 | 1.6° | 0.2° |
| C4 | C3 | N | H7 | 118.9° | 120.0° |
| C4 | C3 | N | H8 | 118.8° | 120.0° |
| C4 | C3 | N | C1 | 167.4° | 180.0° |
| C4 | C3 | H7 | H8 | 123.3° | 120.0° |
| C4 | C3 | N | H9 | 47.4° | 56.0° |
| C3 | C4 | C5 | H20 | 0.4° | 0.0° |
| O3 | C9 | C10 | H5 | 119.5° | 120.0° |
| O3 | C9 | C10 | H6 | 119.5° | 120.0° |
| O3 | C9 | C10 | C16 | 57.7° | 90.0° |
| O3 | C9 | C10 | C11 | 119.6° | 90.6° |
| O3 | C9 | H5 | H6 | 121.6° | 120.0° |
| C9 | C10 | C16 | C11 | 177.1° | 179.4° |
| C9 | C10 | C16 | C14 | 179.5° | 179.9° |
| C9 | C10 | C11 | C12 | 178.2° | 179.7° |
| C9 | C10 | C11 | H3 | 1.7° | 0.2° |
| C9 | C10 | C16 | H4 | 0.5° | 0.6° |
| C10 | C9 | H5 | H6 | 121.5° | 120.0° |
| C10 | C16 | C14 | H4 | 180.0° | 179.4° |
| C10 | C16 | C14 | C15 | 179.7° | 179.7° |
| C10 | C16 | C14 | C13 | 3.2° | 0.6° |
| C16 | C10 | C11 | C12 | 0.9° | 0.3° |
| C16 | C10 | C11 | H3 | 179.1° | 179.7° |
| C16 | C10 | C9 | H5 | 177.1° | 150.0° |
| C16 | C10 | C9 | H6 | 61.8° | 30.0° |
| C14 | C16 | C10 | C11 | 3.3° | 0.6° |
| C16 | C14 | C15 | N1 | 140.3° | 115.4° |
| C16 | C14 | C15 | C13 | 176.5° | 179.7° |
| C16 | C14 | C13 | C12 | 0.6° | 0.3° |
| C16 | C14 | C13 | H1 | 179.4° | 179.7° |
| C10 | C11 | C12 | H3 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.8° | 0.0° |
| C10 | C11 | C12 | H2 | 178.2° | 179.9° |
| C11 | C10 | C16 | H4 | 176.6° | 180.0° |
| C11 | C10 | C9 | H5 | 0.1° | 29.4° |
| C11 | C10 | C9 | H6 | 120.9° | 149.4° |
| N1 | C15 | C14 | C13 | 36.2° | 65.0° |
| C3 | N | C1 | H9 | 120.0° | 124.0° |
| C3 | N | C1 | C2 | 59.2° | 85.0° |
| C3 | N | C1 | C | 176.2° | 155.0° |
| N | C3 | H7 | H8 | 123.3° | 120.0° |
| C3 | N | C1 | H11 | 61.3° | 35.0° |
| C15 | C14 | C13 | C12 | 177.1° | 180.0° |
| C15 | C14 | C13 | H1 | 2.9° | 0.0° |
| C15 | C14 | C16 | H4 | 0.3° | 0.3° |
| C14 | C13 | C12 | C11 | 1.9° | 0.0° |
| C14 | C13 | C12 | H1 | 180.0° | 179.9° |
| C14 | C13 | C12 | H2 | 178.1° | 179.9° |
| C13 | C14 | C16 | H4 | 176.8° | 180.0° |
| C11 | C12 | C13 | H2 | 180.0° | 180.0° |
| C11 | C12 | C13 | H1 | 178.1° | 180.0° |
| C13 | C12 | C11 | H3 | 178.2° | 180.0° |
| N | C1 | C2 | O2 | 25.0° | 0.1° |
| N | C1 | C2 | C | 119.8° | 119.9° |
| N | C1 | C2 | H11 | 120.8° | 120.1° |
| N | C1 | C2 | O1 | 155.3° | 180.0° |
| N | C1 | C | H11 | 115.2° | 120.0° |
| N | C1 | C | O | 72.0° | 65.0° |
| C1 | N | C3 | H7 | 73.8° | 60.0° |
| C1 | N | C3 | H8 | 48.5° | 60.0° |
| N | C1 | C | H13 | 167.8° | 55.0° |
| N | C1 | C | H14 | 48.2° | 175.1° |
| O2 | C2 | C1 | O1 | 179.7° | 179.9° |
| O2 | C2 | C1 | C | 94.8° | 120.0° |
| O2 | C2 | C1 | H11 | 145.8° | 120.0° |
| O2 | C2 | O1 | H12 | 0.0° | 0.1° |
| C2 | C1 | C | H11 | 119.3° | 120.0° |
| C2 | C1 | C | O | 162.5° | 55.0° |
| C2 | C1 | N | H9 | 60.8° | 38.9° |
| C1 | C2 | O1 | H12 | 179.7° | 180.0° |
| C2 | C1 | C | H13 | 42.3° | 175.0° |
| C2 | C1 | C | H14 | 77.3° | 65.0° |
| O1 | C2 | C1 | C | 84.9° | 60.1° |
| O1 | C2 | C1 | H11 | 34.6° | 59.9° |
| C1 | C | O | H13 | 120.2° | 120.0° |
| C1 | C | O | H14 | 120.2° | 120.0° |
| C | C1 | N | H9 | 63.8° | 81.0° |
| C1 | C | H13 | H14 | 119.4° | 120.0° |
| C1 | C | O | H15 | 180.0° | 180.0° |
| O | C | C1 | H11 | 43.2° | 175.0° |
| O | C | H13 | H14 | 119.4° | 119.9° |
| H1 | C13 | C12 | H2 | 1.9° | 0.0° |
| H2 | C12 | C11 | H3 | 1.8° | 0.0° |
| H7 | C3 | N | H9 | 166.2° | 176.0° |
| H8 | C3 | N | H9 | 71.5° | 64.0° |
| H9 | N | C1 | H11 | 178.7° | 159.0° |
| H11 | C1 | C | H13 | 77.0° | 65.0° |
| H11 | C1 | C | H14 | 163.4° | 55.0° |
| H13 | C | O | H15 | 59.8° | 60.0° |
| H14 | C | O | H15 | 59.8° | 60.0° |
| H17 | C7 | H18 | H19 | 120.0° | 120.0° |
| H23 | C34 | C33 | H24 | 2.5° | 0.0° |
| H24 | C33 | C32 | H25 | 1.4° | 0.0° |
| H26 | C22 | H27 | H28 | 120.0° | 120.0° |
| H29 | C31 | C30 | H30 | 1.4° | 0.1° |
| H31 | C28 | C29 | H33 | 49.8° | 59.9° |
| H31 | C28 | C29 | H34 | 169.9° | 60.8° |
| H32 | C28 | C29 | H33 | 70.6° | 179.6° |
| H32 | C28 | C29 | H34 | 49.5° | 59.8° |
