50B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | O3 | sing | 1.43Å | 1.43Å | |
| C8 | C5 | sing | 1.51Å | 1.49Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.37Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| O4 | C17 | sing | 1.36Å | 1.39Å | |
| O4 | C20 | sing | 1.43Å | 1.44Å | |
| C15 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C24 | sing | 1.51Å | 1.50Å | |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C11 | sing | 1.51Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.42Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C13 | doub | 1.41Å | 1.40Å | Aromatic |
| C18 | O3 | sing | 1.36Å | 1.39Å | |
| C4 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | N1 | sing | 1.35Å | 1.34Å | Aromatic |
| C10 | C6 | sing | 1.49Å | 1.49Å | |
| C14 | N1 | doub | 1.31Å | 1.34Å | Aromatic |
| N1 | C9 | sing | 1.47Å | 1.46Å | |
| C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | O2 | sing | 1.35Å | 1.38Å | |
| C2 | C3 | sing | 1.41Å | 1.40Å | Aromatic |
| O2 | C1 | sing | 1.44Å | 1.43Å | |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | O1 | sing | 1.35Å | 1.38Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| C34 | H31 | sing | 1.08Å | 1.08Å | |
| C35 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | H33 | sing | 1.08Å | 1.08Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | C34 | 120.6° | 120.0° |
| C35 | C36 | C31 | 120.1° | 120.0° |
| C36 | C35 | H32 | 119.7° | 120.0° |
| C35 | C36 | H33 | 120.0° | 120.0° |
| C35 | C34 | C33 | 119.4° | 120.0° |
| C35 | C34 | H31 | 120.3° | 120.0° |
| C34 | C35 | H32 | 119.7° | 120.0° |
| C36 | C31 | C24 | 118.9° | 120.0° |
| C36 | C31 | C32 | 118.9° | 120.0° |
| C31 | C36 | H33 | 120.0° | 120.0° |
| C19 | O3 | C18 | 117.3° | 117.0° |
| O3 | C19 | H3 | 109.5° | 109.4° |
| O3 | C19 | H4 | 109.5° | 109.4° |
| O3 | C19 | H5 | 109.5° | 109.5° |
| C5 | C8 | C9 | 105.7° | 107.8° |
| C8 | C5 | C4 | 119.0° | 119.3° |
| C8 | C5 | C6 | 119.1° | 118.2° |
| C5 | C8 | H13 | 110.4° | 109.7° |
| C5 | C8 | H14 | 110.4° | 109.7° |
| C8 | C9 | N1 | 109.7° | 112.5° |
| C9 | C8 | H13 | 110.4° | 109.7° |
| C9 | C8 | H14 | 110.4° | 109.5° |
| C8 | C9 | H15 | 109.4° | 108.7° |
| C8 | C9 | H16 | 109.4° | 108.6° |
| C34 | C33 | C32 | 120.1° | 120.0° |
| C34 | C33 | H30 | 119.9° | 120.0° |
| C33 | C34 | H31 | 120.3° | 120.0° |
| C15 | C16 | C17 | 120.4° | 121.1° |
| C16 | C15 | C12 | 121.2° | 119.9° |
| C16 | C15 | H6 | 119.4° | 118.6° |
| C15 | C16 | H7 | 119.8° | 119.3° |
| C16 | C17 | O4 | 121.3° | 119.7° |
| C16 | C17 | C18 | 118.8° | 120.6° |
| C17 | C16 | H7 | 119.8° | 119.6° |
| C17 | O4 | C20 | 123.5° | 117.0° |
| O4 | C17 | C18 | 119.9° | 119.7° |
| O4 | C20 | H8 | 109.5° | 109.4° |
| O4 | C20 | H9 | 109.5° | 109.4° |
| O4 | C20 | H10 | 109.5° | 109.5° |
| C15 | C12 | C11 | 122.2° | 122.7° |
| C15 | C12 | C13 | 118.8° | 119.4° |
| C12 | C15 | H6 | 119.4° | 121.5° |
| C17 | C18 | C13 | 120.5° | 119.3° |
| C17 | C18 | O3 | 120.7° | 120.2° |
| C24 | C31 | C32 | 122.2° | 120.0° |
| C31 | C24 | C25 | 116.1° | 109.5° |
| C31 | C24 | C23 | 108.1° | 109.5° |
| C31 | C24 | H23 | 107.8° | 109.4° |
| C31 | C32 | C33 | 120.8° | 120.0° |
| C31 | C32 | H29 | 119.6° | 120.0° |
| C11 | C21 | C22 | 115.2° | 109.5° |
| C21 | C11 | C12 | 119.8° | 118.5° |
| C21 | C11 | C10 | 120.9° | 121.9° |
| C11 | C21 | H17 | 108.0° | 109.5° |
| C11 | C21 | H18 | 108.0° | 109.5° |
| C21 | C22 | C23 | 109.5° | 109.5° |
| C22 | C21 | H17 | 108.0° | 109.5° |
| C22 | C21 | H18 | 108.0° | 109.4° |
| C21 | C22 | H19 | 109.5° | 109.5° |
| C21 | C22 | H20 | 109.5° | 109.4° |
| C4 | C5 | C6 | 121.9° | 122.5° |
| C5 | C4 | C2 | 119.7° | 117.3° |
| C5 | C4 | H1 | 120.2° | 121.5° |
| C5 | C6 | C10 | 118.8° | 118.7° |
| C5 | C6 | C7 | 118.6° | 119.9° |
| C25 | C24 | C23 | 109.5° | 109.5° |
| C24 | C25 | C26 | 119.1° | 120.0° |
| C24 | C25 | C30 | 123.1° | 120.0° |
| C25 | C24 | H23 | 107.7° | 109.5° |
| C24 | C23 | C22 | 114.8° | 109.5° |
| C24 | C23 | H21 | 108.1° | 109.4° |
| C24 | C23 | H22 | 108.1° | 109.5° |
| C23 | C24 | H23 | 107.4° | 109.4° |
| C25 | C26 | C27 | 121.3° | 120.0° |
| C26 | C25 | C30 | 117.8° | 120.0° |
| C25 | C26 | H24 | 119.4° | 120.0° |
| C26 | C27 | C28 | 120.6° | 120.0° |
| C27 | C26 | H24 | 119.3° | 120.0° |
| C26 | C27 | H25 | 119.7° | 120.0° |
| C25 | C30 | C29 | 121.3° | 120.0° |
| C25 | C30 | H28 | 119.3° | 120.1° |
| C11 | C12 | C13 | 118.9° | 117.9° |
| C12 | C11 | C10 | 119.3° | 119.5° |
| C12 | C13 | C18 | 120.2° | 119.6° |
| C12 | C13 | C14 | 119.3° | 118.4° |
| C27 | C28 | C29 | 118.8° | 120.0° |
| C28 | C27 | H25 | 119.7° | 120.0° |
| C27 | C28 | H26 | 120.6° | 120.0° |
| C30 | C29 | C28 | 120.1° | 120.0° |
| C30 | C29 | H27 | 120.0° | 120.0° |
| C29 | C30 | H28 | 119.4° | 120.0° |
| C13 | C18 | O3 | 118.7° | 120.5° |
| C18 | C13 | C14 | 120.5° | 122.0° |
| C4 | C2 | O2 | 131.0° | 131.6° |
| C4 | C2 | C3 | 119.4° | 120.9° |
| C2 | C4 | H1 | 120.2° | 121.2° |
| C29 | C28 | H26 | 120.6° | 120.0° |
| C28 | C29 | H27 | 119.9° | 120.0° |
| C11 | C10 | N1 | 119.8° | 120.0° |
| C11 | C10 | C6 | 123.8° | 122.5° |
| C13 | C14 | N1 | 120.6° | 120.9° |
| C13 | C14 | H11 | 119.7° | 119.6° |
| N1 | C10 | C6 | 116.4° | 117.4° |
| C10 | N1 | C14 | 122.1° | 122.7° |
| C10 | N1 | C9 | 120.3° | 119.7° |
| C10 | C6 | C7 | 122.5° | 121.3° |
| C14 | N1 | C9 | 117.6° | 117.7° |
| N1 | C14 | H11 | 119.7° | 119.5° |
| N1 | C9 | H15 | 109.4° | 108.9° |
| N1 | C9 | H16 | 109.4° | 108.8° |
| C6 | C7 | C3 | 120.5° | 117.8° |
| C6 | C7 | H12 | 119.8° | 122.6° |
| O2 | C2 | C3 | 109.6° | 107.6° |
| C2 | O2 | C1 | 105.8° | 107.4° |
| C2 | C3 | C7 | 120.0° | 121.4° |
| C2 | C3 | O1 | 109.2° | 107.5° |
| O2 | C1 | O1 | 108.1° | 101.3° |
| O2 | C1 | H2 | 109.8° | 111.0° |
| O2 | C1 | H34 | 109.8° | 111.1° |
| C33 | C32 | H29 | 119.6° | 120.0° |
| C32 | C33 | H30 | 119.9° | 120.0° |
| C7 | C3 | O1 | 130.8° | 131.0° |
| C3 | C7 | H12 | 119.8° | 119.6° |
| C3 | O1 | C1 | 105.9° | 107.5° |
| C23 | C22 | H19 | 109.5° | 109.5° |
| C23 | C22 | H20 | 109.5° | 109.5° |
| C22 | C23 | H21 | 108.1° | 109.4° |
| C22 | C23 | H22 | 108.1° | 109.5° |
| O1 | C1 | H2 | 109.8° | 111.0° |
| O1 | C1 | H34 | 109.8° | 111.1° |
| H2 | C1 | H34 | 109.5° | 110.9° |
| H3 | C19 | H4 | 109.5° | 109.5° |
| H3 | C19 | H5 | 109.5° | 109.6° |
| H4 | C19 | H5 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H8 | C20 | H10 | 109.4° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 110.4° |
| H15 | C9 | H16 | 109.5° | 109.2° |
| H17 | C21 | H18 | 109.4° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | C34 | H32 | 180.0° | 179.3° |
| C35 | C36 | C31 | H33 | 180.0° | 179.4° |
| C36 | C35 | C34 | C33 | 0.3° | 0.4° |
| C35 | C36 | C31 | C24 | 179.7° | 179.6° |
| C35 | C36 | C31 | C32 | 0.6° | 0.6° |
| C36 | C35 | C34 | H31 | 179.7° | 179.7° |
| C34 | C35 | C36 | C31 | 0.2° | 0.6° |
| C35 | C34 | C33 | H31 | 180.0° | 179.9° |
| C35 | C34 | C33 | C32 | 0.4° | 0.1° |
| C35 | C34 | C33 | H30 | 179.7° | 179.9° |
| C34 | C35 | C36 | H33 | 179.8° | 180.0° |
| C36 | C31 | C24 | C32 | 179.1° | 179.8° |
| C36 | C31 | C24 | C25 | 131.8° | 67.9° |
| C36 | C31 | C24 | C23 | 104.8° | 52.2° |
| C36 | C31 | C32 | C33 | 1.2° | 0.3° |
| C36 | C31 | C24 | H23 | 11.0° | 172.1° |
| C36 | C31 | C32 | H29 | 178.8° | 179.8° |
| C31 | C36 | C35 | H32 | 179.8° | 179.9° |
| C19 | O3 | C18 | C17 | 94.2° | 90.1° |
| C19 | O3 | C18 | C13 | 89.9° | 90.0° |
| O3 | C19 | H3 | H4 | 120.0° | 119.9° |
| O3 | C19 | H3 | H5 | 120.0° | 120.0° |
| O3 | C19 | H4 | H5 | 120.0° | 120.0° |
| C5 | C8 | C9 | H13 | 119.4° | 119.4° |
| C5 | C8 | C9 | H14 | 119.4° | 119.2° |
| C8 | C5 | C4 | C6 | 179.8° | 178.0° |
| C8 | C5 | C4 | C2 | 179.3° | 177.1° |
| C8 | C5 | C6 | C10 | 0.3° | 5.8° |
| C5 | C8 | C9 | N1 | 60.2° | 53.9° |
| C8 | C5 | C6 | C7 | 178.3° | 173.4° |
| C8 | C5 | C4 | H1 | 0.7° | 3.2° |
| C5 | C8 | H13 | H14 | 121.7° | 121.0° |
| C5 | C8 | C9 | H15 | 179.8° | 174.6° |
| C5 | C8 | C9 | H16 | 59.8° | 66.7° |
| C9 | C8 | C5 | C4 | 139.6° | 143.1° |
| C9 | C8 | C5 | C6 | 40.7° | 35.0° |
| C8 | C9 | N1 | C10 | 42.8° | 32.7° |
| C8 | C9 | N1 | C14 | 137.7° | 146.4° |
| C8 | C9 | N1 | H15 | 120.0° | 120.6° |
| C8 | C9 | N1 | H16 | 120.0° | 120.4° |
| C9 | C8 | H13 | H14 | 121.8° | 120.8° |
| C8 | C9 | H15 | H16 | 119.9° | 118.3° |
| C34 | C33 | C32 | C31 | 1.1° | 0.0° |
| C34 | C33 | C32 | H30 | 180.0° | 180.0° |
| C34 | C33 | C32 | H29 | 178.9° | 180.0° |
| C33 | C34 | C35 | H32 | 179.7° | 179.7° |
| C15 | C16 | C17 | H7 | 180.0° | 179.7° |
| C15 | C16 | C17 | O4 | 179.9° | 179.4° |
| C16 | C15 | C12 | H6 | 180.0° | 179.5° |
| C15 | C16 | C17 | C18 | 0.4° | 0.9° |
| C16 | C15 | C12 | C11 | 180.0° | 177.8° |
| C16 | C15 | C12 | C13 | 0.5° | 2.8° |
| C16 | C17 | O4 | C18 | 179.5° | 179.7° |
| C16 | C17 | O4 | C20 | 25.8° | 0.0° |
| C17 | C16 | C15 | C12 | 0.2° | 0.7° |
| C16 | C17 | C18 | C13 | 0.6° | 0.4° |
| C16 | C17 | C18 | O3 | 176.4° | 179.5° |
| C17 | C16 | C15 | H6 | 179.9° | 178.8° |
| O4 | C17 | C18 | C13 | 179.9° | 179.9° |
| O4 | C17 | C18 | O3 | 4.1° | 0.2° |
| O4 | C17 | C16 | H7 | 0.1° | 0.3° |
| C17 | O4 | C20 | H8 | 180.0° | 60.0° |
| C17 | O4 | C20 | H9 | 60.0° | 180.0° |
| C17 | O4 | C20 | H10 | 60.0° | 60.0° |
| C20 | O4 | C17 | C18 | 154.7° | 179.7° |
| O4 | C20 | H8 | H9 | 120.0° | 120.0° |
| O4 | C20 | H8 | H10 | 120.0° | 120.0° |
| O4 | C20 | H9 | H10 | 120.0° | 120.0° |
| C15 | C12 | C11 | C21 | 0.9° | 12.1° |
| C15 | C12 | C11 | C13 | 179.5° | 179.4° |
| C15 | C12 | C13 | C18 | 0.3° | 3.3° |
| C15 | C12 | C11 | C10 | 179.8° | 171.9° |
| C15 | C12 | C13 | C14 | 179.9° | 177.2° |
| C12 | C15 | C16 | H7 | 179.9° | 179.0° |
| C17 | C18 | C13 | C12 | 0.2° | 1.7° |
| C17 | C18 | C13 | O3 | 175.9° | 179.9° |
| C17 | C18 | C13 | C14 | 179.3° | 178.8° |
| C18 | C17 | C16 | H7 | 179.6° | 179.4° |
| C31 | C24 | C25 | C23 | 122.6° | 120.1° |
| C31 | C24 | C25 | H23 | 120.9° | 120.0° |
| C31 | C24 | C23 | H23 | 116.1° | 120.0° |
| C31 | C24 | C25 | C26 | 175.7° | 112.4° |
| C31 | C24 | C25 | C30 | 4.3° | 68.0° |
| C24 | C31 | C32 | C33 | 179.7° | 180.0° |
| C31 | C24 | C23 | C22 | 75.5° | 175.0° |
| C31 | C24 | C23 | H21 | 163.7° | 65.0° |
| C31 | C24 | C23 | H22 | 45.3° | 54.9° |
| C24 | C31 | C32 | H29 | 0.3° | 0.0° |
| C24 | C31 | C36 | H33 | 0.4° | 0.2° |
| C32 | C31 | C24 | C25 | 49.1° | 111.9° |
| C32 | C31 | C24 | C23 | 74.3° | 128.0° |
| C31 | C32 | C33 | H29 | 180.0° | 180.0° |
| C32 | C31 | C24 | H23 | 170.0° | 8.1° |
| C31 | C32 | C33 | H30 | 178.9° | 180.0° |
| C32 | C31 | C36 | H33 | 179.5° | 180.0° |
| C11 | C21 | C22 | H17 | 120.8° | 120.0° |
| C11 | C21 | C22 | H18 | 120.9° | 120.0° |
| C21 | C11 | C12 | C10 | 178.9° | 176.0° |
| C21 | C11 | C12 | C13 | 178.6° | 168.4° |
| C21 | C11 | C10 | N1 | 178.8° | 166.0° |
| C21 | C11 | C10 | C6 | 1.1° | 16.9° |
| C11 | C21 | C22 | C23 | 154.0° | 180.0° |
| C11 | C21 | H17 | H18 | 117.4° | 120.0° |
| C11 | C21 | C22 | H19 | 86.0° | 60.0° |
| C11 | C21 | C22 | H20 | 34.0° | 60.0° |
| C21 | C22 | C23 | C24 | 58.3° | 180.0° |
| C22 | C21 | C11 | C12 | 66.5° | 84.3° |
| C22 | C21 | C11 | C10 | 114.5° | 91.6° |
| C21 | C22 | C23 | H19 | 120.0° | 120.0° |
| C21 | C22 | C23 | H20 | 120.0° | 120.0° |
| C22 | C21 | H17 | H18 | 117.4° | 119.9° |
| C21 | C22 | H19 | H20 | 120.0° | 119.9° |
| C21 | C22 | C23 | H21 | 62.5° | 60.0° |
| C21 | C22 | C23 | H22 | 179.1° | 59.9° |
| C5 | C4 | C2 | H1 | 180.0° | 179.6° |
| C4 | C5 | C6 | C10 | 179.9° | 176.2° |
| C4 | C5 | C6 | C7 | 1.9° | 4.5° |
| C5 | C4 | C2 | O2 | 179.7° | 178.3° |
| C5 | C4 | C2 | C3 | 0.1° | 2.4° |
| C4 | C5 | C8 | H13 | 101.0° | 23.7° |
| C4 | C5 | C8 | H14 | 20.1° | 97.8° |
| C6 | C5 | C4 | C2 | 0.9° | 0.8° |
| C5 | C6 | C10 | C11 | 157.3° | 151.3° |
| C5 | C6 | C10 | N1 | 22.6° | 31.4° |
| C5 | C6 | C10 | C7 | 177.9° | 179.2° |
| C5 | C6 | C7 | C3 | 1.9° | 4.8° |
| C6 | C5 | C4 | H1 | 179.1° | 178.8° |
| C5 | C6 | C7 | H12 | 178.1° | 171.7° |
| C6 | C5 | C8 | H13 | 78.7° | 154.4° |
| C6 | C5 | C8 | H14 | 160.1° | 84.2° |
| C25 | C24 | C23 | H23 | 116.7° | 120.0° |
| C24 | C25 | C26 | C30 | 180.0° | 179.6° |
| C24 | C25 | C26 | C27 | 179.7° | 180.0° |
| C24 | C25 | C30 | C29 | 179.4° | 179.8° |
| C25 | C24 | C23 | C22 | 157.2° | 64.9° |
| C25 | C24 | C23 | H21 | 36.4° | 55.0° |
| C25 | C24 | C23 | H22 | 82.0° | 175.0° |
| C24 | C25 | C26 | H24 | 0.3° | 0.1° |
| C24 | C25 | C30 | H28 | 0.6° | 0.1° |
| C23 | C24 | C25 | C26 | 61.7° | 127.6° |
| C23 | C24 | C25 | C30 | 118.4° | 52.1° |
| C24 | C23 | C22 | H21 | 120.8° | 120.0° |
| C24 | C23 | C22 | H22 | 120.8° | 120.1° |
| C24 | C23 | C22 | H19 | 61.7° | 60.0° |
| C24 | C23 | C22 | H20 | 178.3° | 60.0° |
| C24 | C23 | H21 | H22 | 117.6° | 120.0° |
| C25 | C26 | C27 | H24 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C26 | C25 | C30 | C29 | 0.6° | 0.5° |
| C26 | C25 | C24 | H23 | 54.8° | 7.6° |
| C25 | C26 | C27 | H25 | 179.9° | 179.9° |
| C26 | C25 | C30 | H28 | 179.4° | 179.7° |
| C27 | C26 | C25 | C30 | 0.3° | 0.3° |
| C26 | C27 | C28 | H25 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.2° | 0.1° |
| C26 | C27 | C28 | H26 | 179.8° | 180.0° |
| C25 | C30 | C29 | H28 | 180.0° | 179.7° |
| C25 | C30 | C29 | C28 | 0.7° | 0.4° |
| C30 | C25 | C24 | H23 | 125.2° | 172.0° |
| C30 | C25 | C26 | H24 | 179.7° | 179.7° |
| C25 | C30 | C29 | H27 | 179.3° | 179.6° |
| C11 | C12 | C13 | C18 | 179.9° | 177.3° |
| C11 | C12 | C13 | C14 | 0.6° | 2.3° |
| C12 | C11 | C10 | N1 | 0.1° | 9.9° |
| C12 | C11 | C10 | C6 | 180.0° | 167.3° |
| C11 | C12 | C15 | H6 | 0.0° | 2.8° |
| C12 | C11 | C21 | H17 | 172.6° | 155.8° |
| C12 | C11 | C21 | H18 | 54.3° | 35.7° |
| C12 | C13 | C18 | C14 | 179.5° | 179.5° |
| C12 | C13 | C18 | O3 | 176.2° | 178.4° |
| C13 | C12 | C11 | C10 | 0.3° | 7.6° |
| C12 | C13 | C14 | N1 | 0.7° | 0.9° |
| C13 | C12 | C15 | H6 | 179.5° | 176.7° |
| C12 | C13 | C14 | H11 | 179.2° | 179.0° |
| C27 | C28 | C29 | C30 | 0.5° | 0.1° |
| C27 | C28 | C29 | H26 | 180.0° | 179.9° |
| C28 | C27 | C26 | H24 | 179.9° | 180.0° |
| C27 | C28 | C29 | H27 | 179.5° | 180.0° |
| C30 | C29 | C28 | H27 | 180.0° | 179.9° |
| C30 | C29 | C28 | H26 | 179.5° | 179.8° |
| C18 | C13 | C14 | N1 | 179.7° | 179.6° |
| C18 | C13 | C14 | H11 | 0.3° | 0.5° |
| O3 | C18 | C13 | C14 | 3.4° | 1.1° |
| C18 | O3 | C19 | H3 | 180.0° | 60.1° |
| C18 | O3 | C19 | H4 | 60.0° | 180.0° |
| C18 | O3 | C19 | H5 | 60.0° | 60.0° |
| C4 | C2 | O2 | C3 | 179.7° | 179.4° |
| C4 | C2 | O2 | C1 | 172.5° | 160.6° |
| C4 | C2 | C3 | C7 | 0.0° | 1.9° |
| C4 | C2 | C3 | O1 | 179.8° | 178.8° |
| C29 | C28 | C27 | H25 | 179.8° | 180.0° |
| C28 | C29 | C30 | H28 | 179.3° | 179.8° |
| C11 | C10 | N1 | C6 | 179.9° | 177.3° |
| C11 | C10 | N1 | C14 | 0.3° | 6.8° |
| C11 | C10 | N1 | C9 | 179.7° | 172.2° |
| C11 | C10 | C6 | C7 | 24.8° | 29.5° |
| C10 | C11 | C21 | H17 | 6.3° | 28.4° |
| C10 | C11 | C21 | H18 | 124.6° | 148.4° |
| C13 | C14 | N1 | C10 | 0.6° | 1.3° |
| C13 | C14 | N1 | H11 | 180.0° | 179.9° |
| C13 | C14 | N1 | C9 | 180.0° | 177.7° |
| C10 | N1 | C14 | C9 | 179.5° | 179.1° |
| N1 | C10 | C6 | C7 | 155.3° | 147.8° |
| C10 | N1 | C14 | H11 | 179.4° | 178.7° |
| C10 | N1 | C9 | H15 | 162.9° | 153.4° |
| C10 | N1 | C9 | H16 | 77.2° | 87.7° |
| C6 | C10 | N1 | C14 | 179.8° | 170.5° |
| C6 | C10 | N1 | C9 | 0.4° | 10.5° |
| C10 | C6 | C7 | C3 | 179.8° | 176.0° |
| C10 | C6 | C7 | H12 | 0.2° | 7.5° |
| C14 | N1 | C9 | H15 | 17.7° | 25.7° |
| C14 | N1 | C9 | H16 | 102.3° | 93.2° |
| C9 | N1 | C14 | H11 | 0.1° | 2.2° |
| N1 | C9 | C8 | H13 | 59.2° | 173.2° |
| N1 | C9 | C8 | H14 | 179.6° | 65.4° |
| N1 | C9 | H15 | H16 | 119.9° | 118.7° |
| C6 | C7 | C3 | C2 | 1.0° | 1.7° |
| C6 | C7 | C3 | H12 | 180.0° | 176.7° |
| C6 | C7 | C3 | O1 | 179.3° | 177.4° |
| O2 | C2 | C3 | C7 | 179.8° | 178.6° |
| O2 | C2 | C3 | O1 | 0.0° | 0.7° |
| C2 | O2 | C1 | O1 | 11.5° | 28.3° |
| O2 | C2 | C4 | H1 | 0.3° | 1.3° |
| C2 | O2 | C1 | H2 | 108.3° | 146.3° |
| C2 | O2 | C1 | H34 | 131.3° | 89.8° |
| C3 | C2 | O2 | C1 | 7.1° | 18.8° |
| C2 | C3 | C7 | O1 | 179.7° | 179.1° |
| C2 | C3 | O1 | C1 | 7.2° | 17.7° |
| C3 | C2 | C4 | H1 | 179.9° | 178.0° |
| C2 | C3 | C7 | H12 | 179.1° | 175.0° |
| O2 | C1 | O1 | C3 | 11.6° | 27.9° |
| O2 | C1 | O1 | H2 | 119.8° | 117.9° |
| O2 | C1 | O1 | H34 | 119.8° | 118.1° |
| O2 | C1 | H2 | H34 | 120.6° | 124.1° |
| C32 | C33 | C34 | H31 | 179.6° | 180.0° |
| C7 | C3 | O1 | C1 | 172.6° | 163.1° |
| C3 | O1 | C1 | H2 | 108.2° | 145.8° |
| O1 | C3 | C7 | H12 | 0.7° | 6.0° |
| C3 | O1 | C1 | H34 | 131.4° | 90.2° |
| C23 | C22 | C21 | H17 | 33.2° | 60.0° |
| C23 | C22 | C21 | H18 | 85.1° | 59.9° |
| C23 | C22 | H19 | H20 | 120.0° | 120.0° |
| C22 | C23 | H21 | H22 | 117.6° | 120.0° |
| C22 | C23 | C24 | H23 | 40.6° | 55.0° |
| O1 | C1 | H2 | H34 | 120.6° | 124.1° |
| H3 | C19 | H4 | H5 | 120.0° | 120.1° |
| H6 | C15 | C16 | H7 | 0.1° | 1.5° |
| H8 | C20 | H9 | H10 | 120.0° | 120.0° |
| H13 | C8 | C9 | H15 | 60.8° | 66.0° |
| H13 | C8 | C9 | H16 | 179.2° | 52.7° |
| H14 | C8 | C9 | H15 | 60.4° | 55.4° |
| H14 | C8 | C9 | H16 | 59.6° | 174.1° |
| H17 | C21 | C22 | H19 | 153.2° | 180.0° |
| H17 | C21 | C22 | H20 | 86.9° | 60.0° |
| H18 | C21 | C22 | H19 | 34.9° | 60.0° |
| H18 | C21 | C22 | H20 | 154.8° | 180.0° |
| H19 | C22 | C23 | H21 | 177.5° | 180.0° |
| H19 | C22 | C23 | H22 | 59.1° | 60.0° |
| H20 | C22 | C23 | H21 | 57.5° | 60.0° |
| H20 | C22 | C23 | H22 | 60.9° | 180.0° |
| H21 | C23 | C24 | H23 | 80.2° | 175.0° |
| H22 | C23 | C24 | H23 | 161.3° | 65.0° |
| H24 | C26 | C27 | H25 | 0.1° | 0.1° |
| H25 | C27 | C28 | H26 | 0.2° | 0.1° |
| H26 | C28 | C29 | H27 | 0.5° | 0.1° |
| H27 | C29 | C30 | H28 | 0.7° | 0.1° |
| H29 | C32 | C33 | H30 | 1.1° | 0.0° |
| H30 | C33 | C34 | H31 | 0.4° | 0.0° |
| H31 | C34 | C35 | H32 | 0.3° | 0.4° |
| H32 | C35 | C36 | H33 | 0.2° | 0.7° |
