1R6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C34 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C5 | sing | 1.50Å | 1.53Å | |
| C34 | N3 | sing | 1.46Å | 1.49Å | |
| O4 | C32 | doub | 1.22Å | 1.23Å | |
| C10 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C32 | sing | 1.35Å | 1.42Å | |
| N3 | C33 | sing | 1.34Å | 1.39Å | |
| C32 | C31 | sing | 1.41Å | 1.40Å | |
| C33 | C29 | doub | 1.38Å | 1.39Å | |
| C11 | C9 | sing | 1.51Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | doub | 1.36Å | 1.39Å | |
| C16 | O2 | sing | 1.43Å | 1.43Å | |
| C16 | C12 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C12 | sing | 1.48Å | 1.46Å | |
| N1 | C28 | sing | 1.37Å | 1.34Å | |
| N2 | C17 | sing | 1.47Å | 1.48Å | |
| N2 | C18 | sing | 1.47Å | 1.47Å | |
| C29 | C30 | sing | 1.41Å | 1.40Å | |
| C29 | C28 | sing | 1.48Å | 1.51Å | |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | O3 | doub | 1.21Å | 1.23Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | C20 | sing | 1.51Å | 1.55Å | |
| C19 | C1 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.54Å | 1.53Å | |
| C3 | C4 | sing | 1.54Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C4 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.42Å | 1.44Å | |
| C20 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| O1 | C21 | sing | 1.36Å | 1.37Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C26 | sing | 1.51Å | 1.53Å | |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | H18 | sing | 1.01Å | 1.00Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| O2 | H23 | sing | 0.97Å | 0.95Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C10 | H27 | sing | 1.08Å | 1.08Å | |
| C8 | H28 | sing | 1.08Å | 1.08Å | |
| C7 | H29 | sing | 1.08Å | 1.08Å | |
| C6 | H30 | sing | 1.08Å | 1.08Å | |
| C13 | H31 | sing | 1.09Å | 1.10Å | |
| C13 | H32 | sing | 1.09Å | 1.10Å | |
| C14 | H33 | sing | 1.09Å | 1.10Å | |
| C14 | H34 | sing | 1.09Å | 1.10Å | |
| C15 | H35 | sing | 1.09Å | 1.10Å | |
| C15 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.08Å | 1.08Å | |
| C31 | H40 | sing | 1.08Å | 1.08Å | |
| C30 | H41 | sing | 1.08Å | 1.08Å | |
| N1 | H42 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C34 | 111.1° | 109.7° |
| C15 | C14 | C13 | 112.8° | 109.7° |
| C15 | C14 | H33 | 108.6° | 110.0° |
| C15 | C14 | H34 | 108.6° | 109.3° |
| C14 | C15 | H35 | 109.1° | 109.2° |
| C14 | C15 | H36 | 109.1° | 109.7° |
| C15 | C34 | N3 | 111.0° | 109.7° |
| C34 | C15 | H35 | 109.1° | 109.3° |
| C34 | C15 | H36 | 109.1° | 109.8° |
| C15 | C34 | H37 | 109.1° | 109.5° |
| C15 | C34 | H38 | 109.1° | 109.3° |
| C14 | C13 | C5 | 111.4° | 110.7° |
| C14 | C13 | H31 | 109.0° | 109.1° |
| C14 | C13 | H32 | 109.0° | 109.3° |
| C13 | C14 | H33 | 108.6° | 109.5° |
| C13 | C14 | H34 | 108.6° | 109.3° |
| C13 | C5 | C10 | 120.2° | 120.6° |
| C13 | C5 | C6 | 120.4° | 119.7° |
| C5 | C13 | H31 | 109.0° | 109.3° |
| C5 | C13 | H32 | 109.0° | 109.3° |
| C34 | N3 | C32 | 121.6° | 119.9° |
| C34 | N3 | C33 | 119.5° | 119.3° |
| N3 | C34 | H37 | 109.1° | 109.4° |
| N3 | C34 | H38 | 109.1° | 109.6° |
| O4 | C32 | N3 | 120.9° | 119.9° |
| O4 | C32 | C31 | 118.6° | 119.6° |
| C5 | C10 | C9 | 121.0° | 120.3° |
| C10 | C5 | C6 | 119.4° | 119.7° |
| C5 | C10 | H27 | 119.5° | 119.9° |
| C10 | C9 | C11 | 120.7° | 120.2° |
| C10 | C9 | C8 | 119.5° | 119.7° |
| C9 | C10 | H27 | 119.5° | 119.8° |
| C5 | C6 | C7 | 119.7° | 120.1° |
| C5 | C6 | H30 | 120.1° | 119.9° |
| C32 | N3 | C33 | 118.9° | 120.8° |
| N3 | C32 | C31 | 120.4° | 120.4° |
| N3 | C33 | C29 | 120.1° | 120.9° |
| N3 | C33 | H39 | 119.9° | 119.8° |
| C32 | C31 | C30 | 119.8° | 119.7° |
| C32 | C31 | H40 | 120.1° | 120.1° |
| C33 | C29 | C30 | 121.2° | 119.3° |
| C33 | C29 | C28 | 117.8° | 119.0° |
| C29 | C33 | H39 | 119.9° | 119.4° |
| C9 | C11 | C12 | 112.0° | 110.4° |
| C11 | C9 | C8 | 119.9° | 120.1° |
| C9 | C11 | H25 | 108.8° | 109.4° |
| C9 | C11 | H26 | 108.8° | 109.1° |
| C11 | C12 | C16 | 111.3° | 109.9° |
| C11 | C12 | N1 | 109.2° | 109.0° |
| C11 | C12 | H24 | 108.4° | 109.3° |
| C12 | C11 | H25 | 108.9° | 109.5° |
| C12 | C11 | H26 | 108.8° | 109.4° |
| C9 | C8 | C7 | 119.7° | 120.1° |
| C9 | C8 | H28 | 120.1° | 119.9° |
| C31 | C30 | C29 | 119.5° | 118.9° |
| C30 | C31 | H40 | 120.1° | 120.1° |
| C31 | C30 | H41 | 120.2° | 120.4° |
| O2 | C16 | C12 | 106.7° | 109.5° |
| O2 | C16 | C17 | 108.3° | 109.5° |
| O2 | C16 | H22 | 110.8° | 109.5° |
| C16 | O2 | H23 | 109.5° | 114.0° |
| C12 | C16 | C17 | 112.5° | 109.5° |
| C16 | C12 | N1 | 110.0° | 109.8° |
| C12 | C16 | H22 | 109.3° | 109.5° |
| C16 | C12 | H24 | 108.5° | 109.3° |
| C16 | C17 | N2 | 107.3° | 109.5° |
| C16 | C17 | H20 | 110.0° | 109.5° |
| C16 | C17 | H21 | 110.0° | 109.4° |
| C17 | C16 | H22 | 109.3° | 109.5° |
| C6 | C7 | C8 | 120.7° | 120.0° |
| C6 | C7 | H29 | 119.6° | 120.0° |
| C7 | C6 | H30 | 120.2° | 120.0° |
| C12 | N1 | C28 | 123.4° | 117.1° |
| N1 | C12 | H24 | 109.5° | 109.7° |
| C12 | N1 | H42 | 118.3° | 121.3° |
| N1 | C28 | C29 | 110.9° | 117.2° |
| N1 | C28 | O3 | 125.5° | 121.5° |
| C28 | N1 | H42 | 118.3° | 121.6° |
| C17 | N2 | C18 | 116.4° | 111.0° |
| C17 | N2 | H18 | 107.7° | 111.0° |
| N2 | C17 | H20 | 110.0° | 109.5° |
| N2 | C17 | H21 | 110.0° | 109.5° |
| N2 | C18 | C19 | 109.5° | 109.4° |
| N2 | C18 | C20 | 113.2° | 109.4° |
| N2 | C18 | H17 | 107.4° | 109.3° |
| C18 | N2 | H18 | 107.7° | 111.0° |
| C30 | C29 | C28 | 120.9° | 121.7° |
| C29 | C30 | H41 | 120.2° | 120.7° |
| C29 | C28 | O3 | 123.4° | 121.3° |
| C7 | C8 | H28 | 120.1° | 120.0° |
| C8 | C7 | H29 | 119.7° | 120.0° |
| C19 | C18 | C20 | 113.2° | 110.1° |
| C18 | C19 | C1 | 108.1° | 108.2° |
| C18 | C19 | H7 | 109.8° | 109.7° |
| C18 | C19 | H8 | 109.8° | 109.8° |
| C19 | C18 | H17 | 106.6° | 109.4° |
| C18 | C20 | C25 | 120.1° | 118.3° |
| C18 | C20 | C21 | 120.3° | 122.0° |
| C20 | C18 | H17 | 106.6° | 109.3° |
| C19 | C1 | C2 | 112.0° | 113.6° |
| C19 | C1 | C4 | 112.7° | 113.6° |
| C19 | C1 | O1 | 112.8° | 112.0° |
| C1 | C19 | H7 | 109.8° | 109.7° |
| C1 | C19 | H8 | 109.8° | 109.7° |
| C2 | C3 | C4 | 89.3° | 87.1° |
| C3 | C2 | C1 | 88.9° | 86.9° |
| C3 | C2 | H1 | 114.3° | 113.6° |
| C3 | C2 | H2 | 114.4° | 113.7° |
| C2 | C3 | H3 | 114.3° | 113.6° |
| C2 | C3 | H4 | 114.3° | 113.6° |
| C3 | C4 | C1 | 88.7° | 86.9° |
| C4 | C3 | H3 | 114.2° | 113.6° |
| C4 | C3 | H4 | 114.2° | 113.6° |
| C3 | C4 | H5 | 114.4° | 113.7° |
| C3 | C4 | H6 | 114.4° | 113.6° |
| C2 | C1 | C4 | 89.6° | 87.6° |
| C2 | C1 | O1 | 113.3° | 114.1° |
| C1 | C2 | H1 | 114.3° | 113.6° |
| C1 | C2 | H2 | 114.3° | 113.7° |
| C4 | C1 | O1 | 114.4° | 113.9° |
| C1 | C4 | H5 | 114.4° | 113.7° |
| C1 | C4 | H6 | 114.4° | 113.6° |
| C1 | O1 | C21 | 116.1° | 117.6° |
| C25 | C20 | C21 | 119.6° | 119.7° |
| C20 | C25 | C24 | 120.0° | 120.4° |
| C20 | C25 | H16 | 120.0° | 119.8° |
| C20 | C21 | O1 | 122.1° | 122.0° |
| C20 | C21 | C22 | 119.9° | 119.8° |
| C25 | C24 | C26 | 120.3° | 120.0° |
| C25 | C24 | C23 | 120.2° | 120.0° |
| C24 | C25 | H16 | 120.0° | 119.8° |
| O1 | C21 | C22 | 117.9° | 118.2° |
| C27 | C26 | C24 | 111.5° | 109.5° |
| C27 | C26 | H11 | 109.0° | 109.5° |
| C27 | C26 | H12 | 109.0° | 109.5° |
| C26 | C27 | H13 | 109.5° | 109.5° |
| C26 | C27 | H14 | 109.5° | 109.5° |
| C26 | C27 | H15 | 109.5° | 109.5° |
| C21 | C22 | C23 | 120.5° | 120.3° |
| C21 | C22 | H9 | 119.8° | 119.9° |
| C26 | C24 | C23 | 119.6° | 120.0° |
| C24 | C26 | H11 | 109.0° | 109.5° |
| C24 | C26 | H12 | 109.0° | 109.5° |
| C24 | C23 | C22 | 119.8° | 119.9° |
| C24 | C23 | H10 | 120.1° | 120.1° |
| C23 | C22 | H9 | 119.8° | 119.8° |
| C22 | C23 | H10 | 120.1° | 120.1° |
| H1 | C2 | H2 | 109.5° | 112.9° |
| H3 | C3 | H4 | 109.5° | 113.0° |
| H5 | C4 | H6 | 109.5° | 112.9° |
| H7 | C19 | H8 | 109.5° | 109.7° |
| H11 | C26 | H12 | 109.5° | 109.5° |
| H13 | C27 | H14 | 109.5° | 109.5° |
| H13 | C27 | H15 | 109.5° | 109.5° |
| H14 | C27 | H15 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.4° |
| H25 | C11 | H26 | 109.5° | 109.1° |
| H31 | C13 | H32 | 109.5° | 109.1° |
| H33 | C14 | H34 | 109.5° | 109.1° |
| H35 | C15 | H36 | 109.5° | 109.1° |
| H37 | C34 | H38 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C34 | H35 | 120.2° | 119.7° |
| C14 | C15 | C34 | H36 | 120.3° | 120.6° |
| C15 | C14 | C13 | H33 | 120.5° | 120.8° |
| C15 | C14 | C13 | H34 | 120.5° | 119.8° |
| C15 | C14 | C13 | C5 | 84.5° | 119.2° |
| C14 | C15 | C34 | N3 | 117.4° | 97.6° |
| C15 | C14 | C13 | H31 | 155.2° | 120.4° |
| C15 | C14 | C13 | H32 | 35.8° | 1.3° |
| C15 | C14 | H33 | H34 | 118.5° | 119.8° |
| C14 | C15 | H35 | H36 | 119.3° | 119.9° |
| C14 | C15 | C34 | H37 | 122.3° | 22.6° |
| C14 | C15 | C34 | H38 | 2.8° | 142.3° |
| C34 | C15 | C14 | C13 | 153.5° | 176.6° |
| C15 | C34 | N3 | H37 | 120.3° | 120.2° |
| C15 | C34 | N3 | H38 | 120.2° | 120.0° |
| C15 | C34 | N3 | C32 | 142.7° | 146.2° |
| C15 | C34 | N3 | C33 | 37.2° | 33.8° |
| C34 | C15 | C14 | H33 | 33.0° | 56.2° |
| C34 | C15 | C14 | H34 | 86.0° | 63.6° |
| C34 | C15 | H35 | H36 | 119.2° | 120.1° |
| C15 | C34 | H37 | H38 | 119.3° | 119.7° |
| C14 | C13 | C5 | H31 | 120.3° | 120.2° |
| C14 | C13 | C5 | H32 | 120.3° | 120.4° |
| C14 | C13 | C5 | C10 | 104.0° | 65.4° |
| C14 | C13 | C5 | C6 | 74.7° | 115.4° |
| C14 | C13 | H31 | H32 | 119.1° | 119.3° |
| C13 | C14 | H33 | H34 | 118.5° | 119.6° |
| C13 | C14 | C15 | H35 | 33.3° | 63.6° |
| C13 | C14 | C15 | H36 | 86.3° | 56.0° |
| C13 | C5 | C10 | C6 | 178.7° | 179.2° |
| C13 | C5 | C10 | C9 | 179.4° | 179.0° |
| C13 | C5 | C6 | C7 | 180.0° | 178.5° |
| C13 | C5 | C10 | H27 | 0.6° | 0.9° |
| C13 | C5 | C6 | H30 | 0.0° | 1.3° |
| C5 | C13 | H31 | H32 | 119.1° | 119.5° |
| C5 | C13 | C14 | H33 | 36.0° | 1.6° |
| C5 | C13 | C14 | H34 | 155.0° | 121.0° |
| C34 | N3 | C32 | O4 | 0.2° | 0.5° |
| C34 | N3 | C32 | C33 | 179.9° | 180.0° |
| C34 | N3 | C32 | C31 | 179.9° | 179.7° |
| C34 | N3 | C33 | C29 | 179.7° | 179.8° |
| N3 | C34 | C15 | H35 | 2.8° | 142.8° |
| N3 | C34 | C15 | H36 | 122.3° | 23.1° |
| N3 | C34 | H37 | H38 | 119.2° | 120.0° |
| C34 | N3 | C33 | H39 | 0.3° | 0.3° |
| O4 | C32 | N3 | C31 | 179.7° | 179.8° |
| O4 | C32 | N3 | C33 | 179.7° | 179.6° |
| O4 | C32 | C31 | C30 | 179.3° | 179.8° |
| O4 | C32 | C31 | H40 | 0.8° | 0.2° |
| C5 | C10 | C9 | H27 | 180.0° | 179.9° |
| C5 | C10 | C9 | C11 | 180.0° | 179.8° |
| C5 | C10 | C9 | C8 | 0.2° | 0.6° |
| C10 | C5 | C6 | C7 | 1.3° | 0.7° |
| C10 | C5 | C6 | H30 | 178.7° | 179.5° |
| C10 | C5 | C13 | H31 | 135.7° | 174.4° |
| C10 | C5 | C13 | H32 | 16.3° | 55.1° |
| C9 | C10 | C5 | C6 | 0.7° | 0.2° |
| C10 | C9 | C11 | C8 | 179.8° | 179.3° |
| C10 | C9 | C11 | C12 | 103.4° | 80.2° |
| C10 | C9 | C8 | C7 | 0.2° | 0.9° |
| C10 | C9 | C11 | H25 | 136.2° | 159.3° |
| C10 | C9 | C11 | H26 | 17.0° | 40.0° |
| C10 | C9 | C8 | H28 | 179.8° | 178.9° |
| C5 | C6 | C7 | H30 | 180.0° | 179.8° |
| C5 | C6 | C7 | C8 | 1.3° | 0.3° |
| C6 | C5 | C10 | H27 | 179.3° | 179.9° |
| C5 | C6 | C7 | H29 | 178.7° | 179.4° |
| C6 | C5 | C13 | H31 | 45.6° | 4.8° |
| C6 | C5 | C13 | H32 | 165.0° | 124.1° |
| C32 | N3 | C33 | C29 | 0.4° | 0.1° |
| N3 | C32 | C31 | C30 | 0.4° | 0.0° |
| C32 | N3 | C34 | H37 | 22.5° | 93.6° |
| C32 | N3 | C34 | H38 | 97.0° | 26.2° |
| C32 | N3 | C33 | H39 | 179.6° | 179.6° |
| N3 | C32 | C31 | H40 | 179.6° | 180.0° |
| C33 | N3 | C32 | C31 | 0.0° | 0.3° |
| N3 | C33 | C29 | H39 | 180.0° | 179.5° |
| N3 | C33 | C29 | C30 | 1.3° | 0.2° |
| N3 | C33 | C29 | C28 | 177.1° | 179.6° |
| C33 | N3 | C34 | H37 | 157.5° | 86.4° |
| C33 | N3 | C34 | H38 | 83.0° | 153.8° |
| C32 | C31 | C30 | H40 | 180.0° | 180.0° |
| C32 | C31 | C30 | C29 | 1.3° | 0.3° |
| C32 | C31 | C30 | H41 | 178.7° | 179.9° |
| C33 | C29 | C30 | C31 | 1.8° | 0.4° |
| C33 | C29 | C28 | N1 | 58.1° | 12.3° |
| C33 | C29 | C30 | C28 | 175.7° | 179.8° |
| C33 | C29 | C28 | O3 | 127.4° | 169.1° |
| C33 | C29 | C30 | H41 | 178.2° | 179.8° |
| C9 | C11 | C12 | H25 | 120.4° | 120.5° |
| C9 | C11 | C12 | H26 | 120.4° | 120.1° |
| C9 | C11 | C12 | C16 | 163.7° | 66.8° |
| C9 | C11 | C12 | N1 | 42.1° | 53.6° |
| C11 | C9 | C8 | C7 | 180.0° | 179.8° |
| C9 | C11 | C12 | H24 | 77.1° | 173.4° |
| C9 | C11 | H25 | H26 | 118.8° | 119.3° |
| C11 | C9 | C10 | H27 | 0.0° | 0.0° |
| C11 | C9 | C8 | H28 | 0.0° | 0.4° |
| C12 | C11 | C9 | C8 | 76.4° | 100.6° |
| C11 | C12 | C16 | O2 | 55.8° | 59.8° |
| C11 | C12 | C16 | N1 | 121.1° | 119.8° |
| C11 | C12 | C16 | H24 | 119.2° | 119.9° |
| C11 | C12 | C16 | C17 | 174.4° | 179.9° |
| C11 | C12 | N1 | H24 | 118.5° | 119.5° |
| C11 | C12 | N1 | C28 | 127.3° | 120.7° |
| C11 | C12 | C16 | H22 | 64.0° | 60.1° |
| C12 | C11 | H25 | H26 | 118.8° | 119.7° |
| C11 | C12 | N1 | H42 | 52.6° | 60.3° |
| C9 | C8 | C7 | C6 | 0.7° | 0.4° |
| C9 | C8 | C7 | H28 | 180.0° | 179.8° |
| C8 | C9 | C11 | H25 | 44.0° | 20.0° |
| C8 | C9 | C11 | H26 | 163.2° | 139.2° |
| C8 | C9 | C10 | H27 | 179.8° | 179.3° |
| C9 | C8 | C7 | H29 | 179.3° | 179.8° |
| C31 | C30 | C29 | H41 | 180.0° | 179.8° |
| C31 | C30 | C29 | C28 | 177.4° | 179.4° |
| O2 | C16 | C12 | C17 | 118.6° | 120.0° |
| O2 | C16 | C12 | H22 | 119.8° | 120.0° |
| O2 | C16 | C17 | H22 | 120.7° | 120.0° |
| O2 | C16 | C12 | N1 | 176.9° | 179.7° |
| O2 | C16 | C17 | N2 | 54.0° | 65.0° |
| O2 | C16 | C17 | H20 | 173.6° | 55.1° |
| O2 | C16 | C17 | H21 | 65.6° | 174.9° |
| O2 | C16 | C12 | H24 | 63.3° | 60.0° |
| C12 | C16 | C17 | H22 | 121.6° | 120.0° |
| C16 | C12 | N1 | H24 | 119.1° | 120.1° |
| C16 | C12 | N1 | C28 | 110.2° | 118.9° |
| C12 | C16 | C17 | N2 | 171.7° | 175.0° |
| C12 | C16 | C17 | H20 | 68.7° | 65.0° |
| C12 | C16 | C17 | H21 | 52.0° | 54.9° |
| C12 | C16 | O2 | H23 | 180.0° | 60.0° |
| C16 | C12 | C11 | H25 | 75.9° | 53.7° |
| C16 | C12 | C11 | H26 | 43.3° | 173.2° |
| C16 | C12 | N1 | H42 | 69.8° | 60.1° |
| C17 | C16 | C12 | N1 | 64.5° | 60.3° |
| C16 | C17 | N2 | H20 | 119.7° | 120.0° |
| C16 | C17 | N2 | H21 | 119.7° | 120.0° |
| C16 | C17 | N2 | C18 | 158.5° | 174.7° |
| C16 | C17 | N2 | H18 | 37.5° | 61.3° |
| C16 | C17 | H20 | H21 | 121.0° | 119.9° |
| C17 | C16 | O2 | H23 | 58.6° | 60.0° |
| C17 | C16 | C12 | H24 | 55.2° | 60.0° |
| C6 | C7 | C8 | H29 | 180.0° | 179.7° |
| C6 | C7 | C8 | H28 | 179.3° | 179.3° |
| C12 | N1 | C28 | H42 | 180.0° | 179.0° |
| C12 | N1 | C28 | C29 | 179.0° | 170.0° |
| C12 | N1 | C28 | O3 | 6.6° | 11.5° |
| N1 | C12 | C16 | H22 | 57.1° | 59.7° |
| N1 | C12 | C11 | H25 | 162.5° | 174.1° |
| N1 | C12 | C11 | H26 | 78.3° | 66.5° |
| N1 | C28 | C29 | C30 | 117.7° | 167.5° |
| N1 | C28 | C29 | O3 | 174.5° | 178.6° |
| C28 | N1 | C12 | H24 | 8.9° | 1.2° |
| C17 | N2 | C18 | H18 | 121.0° | 124.0° |
| C17 | N2 | C18 | C19 | 67.4° | 86.0° |
| C17 | N2 | C18 | C20 | 59.8° | 153.4° |
| C17 | N2 | C18 | H17 | 177.2° | 33.7° |
| N2 | C17 | H20 | H21 | 121.0° | 120.0° |
| N2 | C17 | C16 | H22 | 66.8° | 55.0° |
| N2 | C18 | C19 | C20 | 127.3° | 120.2° |
| N2 | C18 | C19 | H17 | 115.9° | 119.6° |
| N2 | C18 | C20 | H17 | 117.9° | 119.6° |
| N2 | C18 | C19 | C1 | 165.5° | 166.8° |
| N2 | C18 | C20 | C25 | 45.0° | 40.7° |
| N2 | C18 | C20 | C21 | 137.4° | 139.7° |
| N2 | C18 | C19 | H7 | 74.6° | 47.2° |
| N2 | C18 | C19 | H8 | 45.7° | 73.5° |
| C18 | N2 | C17 | H20 | 81.8° | 65.3° |
| C18 | N2 | C17 | H21 | 38.9° | 54.7° |
| C30 | C29 | C28 | O3 | 56.8° | 11.1° |
| C30 | C29 | C33 | H39 | 178.7° | 179.3° |
| C29 | C30 | C31 | H40 | 178.7° | 179.7° |
| C28 | C29 | C33 | H39 | 2.9° | 0.9° |
| C28 | C29 | C30 | H41 | 2.5° | 0.4° |
| C29 | C28 | N1 | H42 | 1.0° | 11.1° |
| C8 | C7 | C6 | H30 | 178.7° | 179.8° |
| O3 | C28 | N1 | H42 | 173.4° | 167.5° |
| C19 | C18 | C20 | H17 | 116.8° | 120.1° |
| C18 | C19 | C1 | H7 | 119.8° | 119.7° |
| C18 | C19 | C1 | H8 | 119.8° | 119.7° |
| C18 | C19 | C1 | C2 | 69.9° | 70.3° |
| C18 | C19 | C1 | C4 | 169.2° | 168.3° |
| C18 | C19 | C1 | O1 | 59.4° | 60.8° |
| C19 | C18 | C20 | C25 | 170.3° | 160.9° |
| C19 | C18 | C20 | C21 | 12.1° | 19.4° |
| C18 | C19 | H7 | H8 | 120.6° | 120.7° |
| C19 | C18 | N2 | H18 | 171.6° | 38.0° |
| C20 | C18 | C19 | C1 | 38.3° | 46.6° |
| C18 | C20 | C25 | C21 | 177.6° | 179.6° |
| C18 | C20 | C25 | C24 | 178.8° | 179.2° |
| C18 | C20 | C21 | O1 | 2.2° | 1.0° |
| C18 | C20 | C21 | C22 | 179.7° | 179.0° |
| C20 | C18 | C19 | H7 | 158.1° | 73.1° |
| C20 | C18 | C19 | H8 | 81.5° | 166.3° |
| C18 | C20 | C25 | H16 | 1.2° | 0.9° |
| C20 | C18 | N2 | H18 | 61.2° | 82.6° |
| C19 | C1 | C2 | C3 | 100.3° | 139.9° |
| C19 | C1 | C4 | C3 | 99.7° | 140.0° |
| C19 | C1 | C2 | C4 | 114.4° | 114.7° |
| C19 | C1 | C2 | O1 | 129.0° | 130.1° |
| C19 | C1 | C4 | O1 | 130.6° | 129.9° |
| C19 | C1 | O1 | C21 | 52.2° | 44.2° |
| C19 | C1 | C2 | H1 | 16.1° | 25.4° |
| C19 | C1 | C2 | H2 | 143.4° | 105.6° |
| C19 | C1 | C4 | H5 | 144.0° | 105.5° |
| C19 | C1 | C4 | H6 | 16.6° | 25.5° |
| C1 | C19 | H7 | H8 | 120.6° | 120.6° |
| C1 | C19 | C18 | H17 | 78.6° | 73.5° |
| C2 | C3 | C4 | H3 | 116.4° | 114.5° |
| C2 | C3 | C4 | H4 | 116.4° | 114.6° |
| C3 | C2 | C1 | H1 | 116.3° | 114.5° |
| C3 | C2 | C1 | H2 | 116.4° | 114.5° |
| C2 | C3 | C4 | C1 | 14.1° | 25.1° |
| C3 | C2 | C1 | O1 | 130.7° | 90.0° |
| C3 | C2 | H1 | H2 | 129.8° | 131.3° |
| C2 | C3 | H3 | H4 | 129.6° | 131.3° |
| C2 | C3 | C4 | H5 | 102.2° | 139.6° |
| C2 | C3 | C4 | H6 | 130.4° | 89.4° |
| C3 | C4 | C1 | H5 | 116.3° | 114.6° |
| C3 | C4 | C1 | H6 | 116.3° | 114.5° |
| C3 | C4 | C1 | O1 | 129.7° | 90.2° |
| C4 | C3 | C2 | H1 | 130.4° | 89.4° |
| C4 | C3 | C2 | H2 | 102.2° | 139.6° |
| C4 | C3 | H3 | H4 | 129.5° | 131.2° |
| C3 | C4 | H5 | H6 | 129.9° | 131.3° |
| C2 | C1 | C4 | O1 | 115.6° | 115.3° |
| C2 | C1 | O1 | C21 | 76.4° | 86.7° |
| C1 | C2 | H1 | H2 | 129.7° | 131.3° |
| C1 | C2 | C3 | H3 | 130.5° | 89.4° |
| C1 | C2 | C3 | H4 | 102.3° | 139.6° |
| C2 | C1 | C4 | H5 | 102.2° | 139.7° |
| C2 | C1 | C4 | H6 | 130.4° | 89.3° |
| C2 | C1 | C19 | H7 | 49.8° | 170.1° |
| C2 | C1 | C19 | H8 | 170.3° | 49.5° |
| C4 | C1 | O1 | C21 | 177.2° | 174.8° |
| C4 | C1 | C2 | H1 | 130.5° | 89.3° |
| C4 | C1 | C2 | H2 | 102.2° | 139.7° |
| C1 | C4 | C3 | H3 | 130.5° | 89.5° |
| C1 | C4 | C3 | H4 | 102.3° | 139.6° |
| C1 | C4 | H5 | H6 | 129.8° | 131.3° |
| C4 | C1 | C19 | H7 | 49.4° | 72.0° |
| C4 | C1 | C19 | H8 | 71.0° | 48.6° |
| C1 | O1 | C21 | C20 | 22.2° | 13.6° |
| C1 | O1 | C21 | C22 | 159.6° | 166.4° |
| O1 | C1 | C2 | H1 | 113.0° | 155.5° |
| O1 | C1 | C2 | H2 | 14.3° | 24.5° |
| O1 | C1 | C4 | H5 | 13.4° | 24.4° |
| O1 | C1 | C4 | H6 | 114.0° | 155.4° |
| O1 | C1 | C19 | H7 | 179.1° | 58.8° |
| O1 | C1 | C19 | H8 | 60.4° | 179.4° |
| C20 | C25 | C24 | H16 | 180.0° | 179.9° |
| C25 | C20 | C21 | O1 | 179.8° | 179.3° |
| C25 | C20 | C21 | C22 | 2.1° | 0.7° |
| C20 | C25 | C24 | C26 | 179.4° | 179.9° |
| C20 | C25 | C24 | C23 | 0.1° | 0.1° |
| C25 | C20 | C18 | H17 | 72.8° | 78.9° |
| C21 | C20 | C25 | C24 | 1.1° | 0.4° |
| C20 | C21 | O1 | C22 | 178.2° | 180.0° |
| C20 | C21 | C22 | C23 | 2.0° | 0.5° |
| C20 | C21 | C22 | H9 | 178.0° | 179.6° |
| C21 | C20 | C25 | H16 | 178.9° | 179.5° |
| C21 | C20 | C18 | H17 | 104.8° | 100.7° |
| C25 | C24 | C26 | C27 | 71.1° | 90.0° |
| C25 | C24 | C26 | C23 | 179.5° | 180.0° |
| C25 | C24 | C23 | C22 | 0.0° | 0.2° |
| C25 | C24 | C23 | H10 | 180.0° | 179.7° |
| C25 | C24 | C26 | H11 | 49.2° | 30.0° |
| C25 | C24 | C26 | H12 | 168.6° | 150.0° |
| O1 | C21 | C22 | C23 | 179.8° | 179.5° |
| O1 | C21 | C22 | H9 | 0.2° | 0.4° |
| C27 | C26 | C24 | H11 | 120.3° | 120.0° |
| C27 | C26 | C24 | H12 | 120.3° | 120.0° |
| C27 | C26 | C24 | C23 | 109.4° | 90.0° |
| C27 | C26 | H11 | H12 | 119.1° | 120.0° |
| C26 | C27 | H13 | H14 | 120.0° | 120.0° |
| C26 | C27 | H13 | H15 | 120.0° | 120.0° |
| C26 | C27 | H14 | H15 | 120.0° | 120.0° |
| C21 | C22 | C23 | C24 | 0.9° | 0.0° |
| C21 | C22 | C23 | H9 | 180.0° | 179.9° |
| C21 | C22 | C23 | H10 | 179.0° | 180.0° |
| C26 | C24 | C23 | C22 | 179.6° | 179.8° |
| C26 | C24 | C23 | H10 | 0.5° | 0.3° |
| C24 | C26 | H11 | H12 | 119.1° | 120.0° |
| C24 | C26 | C27 | H13 | 180.0° | 60.0° |
| C24 | C26 | C27 | H14 | 60.0° | 60.0° |
| C24 | C26 | C27 | H15 | 60.0° | 180.0° |
| C26 | C24 | C25 | H16 | 0.6° | 0.1° |
| C24 | C23 | C22 | H10 | 180.0° | 179.9° |
| C24 | C23 | C22 | H9 | 179.1° | 180.0° |
| C23 | C24 | C26 | H11 | 130.3° | 150.0° |
| C23 | C24 | C26 | H12 | 10.9° | 30.0° |
| C23 | C24 | C25 | H16 | 179.9° | 179.9° |
| H1 | C2 | C3 | H3 | 113.2° | 156.0° |
| H1 | C2 | C3 | H4 | 14.0° | 25.1° |
| H2 | C2 | C3 | H3 | 14.2° | 25.1° |
| H2 | C2 | C3 | H4 | 141.4° | 105.8° |
| H3 | C3 | C4 | H5 | 14.2° | 25.1° |
| H3 | C3 | C4 | H6 | 113.1° | 156.0° |
| H4 | C3 | C4 | H5 | 141.4° | 105.8° |
| H4 | C3 | C4 | H6 | 14.0° | 25.1° |
| H7 | C19 | C18 | H17 | 41.2° | 166.8° |
| H8 | C19 | C18 | H17 | 161.6° | 46.2° |
| H9 | C22 | C23 | H10 | 1.0° | 0.1° |
| H11 | C26 | C27 | H13 | 59.7° | 180.0° |
| H11 | C26 | C27 | H14 | 60.3° | 60.0° |
| H11 | C26 | C27 | H15 | 179.7° | 60.0° |
| H12 | C26 | C27 | H13 | 59.7° | 60.0° |
| H12 | C26 | C27 | H14 | 179.7° | 180.0° |
| H12 | C26 | C27 | H15 | 60.3° | 60.0° |
| H13 | C27 | H14 | H15 | 120.0° | 120.0° |
| H17 | C18 | N2 | H18 | 56.2° | 157.7° |
| H18 | N2 | C17 | H20 | 157.1° | 58.7° |
| H18 | N2 | C17 | H21 | 82.2° | 178.7° |
| H20 | C17 | C16 | H22 | 52.9° | 175.0° |
| H21 | C17 | C16 | H22 | 173.6° | 65.1° |
| H22 | C16 | O2 | H23 | 61.2° | 180.0° |
| H22 | C16 | C12 | H24 | 176.8° | 180.0° |
| H24 | C12 | C11 | H25 | 43.3° | 66.2° |
| H24 | C12 | C11 | H26 | 162.5° | 53.3° |
| H24 | C12 | N1 | H42 | 171.1° | 179.8° |
| H28 | C8 | C7 | H29 | 0.7° | 0.4° |
| H29 | C7 | C6 | H30 | 1.3° | 0.4° |
| H31 | C13 | C14 | H33 | 84.3° | 118.8° |
| H31 | C13 | C14 | H34 | 34.7° | 0.7° |
| H32 | C13 | C14 | H33 | 156.2° | 122.0° |
| H32 | C13 | C14 | H34 | 84.7° | 118.5° |
| H33 | C14 | C15 | H35 | 87.2° | 175.9° |
| H33 | C14 | C15 | H36 | 153.2° | 64.5° |
| H34 | C14 | C15 | H35 | 153.7° | 56.2° |
| H34 | C14 | C15 | H36 | 34.2° | 175.7° |
| H35 | C15 | C34 | H37 | 117.4° | 97.1° |
| H35 | C15 | C34 | H38 | 123.0° | 22.6° |
| H36 | C15 | C34 | H37 | 2.1° | 143.2° |
| H36 | C15 | C34 | H38 | 117.5° | 97.1° |
| H40 | C31 | C30 | H41 | 1.3° | 0.1° |
