68J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C35 | sing | 1.35Å | 1.36Å | |
| C35 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C35 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C32 | doub | 1.40Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.40Å | 1.38Å | Aromatic |
| C32 | C31 | sing | 1.48Å | 1.53Å | |
| C31 | O2 | doub | 1.22Å | 1.23Å | |
| C31 | N4 | sing | 1.35Å | 1.32Å | |
| N3 | C7 | sing | 1.39Å | 1.36Å | |
| N4 | C28 | sing | 1.46Å | 1.47Å | |
| C7 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.58Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C10 | C8 | sing | 1.51Å | 1.53Å | |
| N1 | C4 | sing | 1.34Å | 1.35Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.51Å | 1.55Å | |
| C8 | C9 | doub | 1.36Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | doub | 1.41Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.36Å | 1.40Å | Aromatic |
| C9 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C12 | N2 | sing | 1.35Å | 1.33Å | |
| C12 | O1 | doub | 1.21Å | 1.23Å | |
| N2 | C13 | sing | 1.46Å | 1.47Å | |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C25 | trip | 1.17Å | 1.20Å | |
| C2 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C6 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C20 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C1 | C19 | sing | 1.48Å | 1.41Å | |
| C20 | C19 | doub | 1.41Å | 1.43Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C15 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å | |
| C6 | H22 | sing | 1.08Å | 1.08Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å | |
| C2 | H24 | sing | 1.08Å | 1.08Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C22 | H27 | sing | 1.08Å | 1.08Å | |
| C21 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| N4 | H35 | sing | 0.97Å | 1.00Å | |
| C33 | H36 | sing | 1.08Å | 1.08Å | |
| C34 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | H38 | sing | 1.08Å | 1.08Å | |
| C37 | H39 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C35 | C36 | 120.9° | 119.9° |
| F1 | C35 | C34 | 119.8° | 119.9° |
| C36 | C35 | C34 | 119.2° | 120.3° |
| C35 | C36 | C37 | 119.7° | 120.1° |
| C35 | C36 | H38 | 120.2° | 119.9° |
| C35 | C34 | C33 | 120.8° | 120.1° |
| C35 | C34 | H37 | 119.6° | 119.9° |
| C36 | C37 | C32 | 120.6° | 119.9° |
| C37 | C36 | H38 | 120.1° | 120.0° |
| C36 | C37 | H39 | 119.7° | 120.1° |
| C34 | C33 | C32 | 120.4° | 119.9° |
| C34 | C33 | H36 | 119.8° | 120.0° |
| C33 | C34 | H37 | 119.6° | 120.0° |
| C37 | C32 | C33 | 119.3° | 119.8° |
| C37 | C32 | C31 | 120.6° | 120.1° |
| C32 | C37 | H39 | 119.7° | 120.0° |
| C33 | C32 | C31 | 120.0° | 120.2° |
| C32 | C33 | H36 | 119.8° | 120.0° |
| C32 | C31 | O2 | 122.6° | 119.9° |
| C32 | C31 | N4 | 114.5° | 120.1° |
| O2 | C31 | N4 | 122.7° | 120.0° |
| C31 | N4 | C28 | 120.7° | 120.0° |
| C31 | N4 | H35 | 119.6° | 120.0° |
| N3 | C7 | N1 | 119.6° | 119.2° |
| N3 | C7 | C8 | 120.6° | 119.2° |
| C7 | N3 | H19 | 109.5° | 120.0° |
| C7 | N3 | H20 | 109.5° | 120.0° |
| N4 | C28 | C29 | 115.5° | 117.5° |
| N4 | C28 | C30 | 112.9° | 117.5° |
| N4 | C28 | C27 | 116.9° | 115.6° |
| C28 | N4 | H35 | 119.7° | 120.0° |
| N1 | C7 | C8 | 119.7° | 121.6° |
| C7 | N1 | C4 | 121.4° | 121.3° |
| C7 | C8 | C10 | 121.7° | 120.1° |
| C7 | C8 | C9 | 119.7° | 119.8° |
| C29 | C28 | C30 | 59.3° | 60.0° |
| C29 | C28 | C27 | 118.6° | 117.5° |
| C28 | C29 | C30 | 60.0° | 60.0° |
| C28 | C29 | H31 | 120.0° | 117.5° |
| C28 | C29 | H32 | 120.0° | 117.5° |
| C30 | C28 | C27 | 121.1° | 117.5° |
| C28 | C30 | C29 | 60.7° | 60.0° |
| C28 | C30 | H33 | 119.9° | 117.5° |
| C28 | C30 | H34 | 119.9° | 117.5° |
| C28 | C27 | C26 | 108.4° | 109.4° |
| C28 | C27 | H29 | 109.8° | 109.5° |
| C28 | C27 | H30 | 109.8° | 109.5° |
| C11 | C10 | C8 | 107.0° | 109.5° |
| C10 | C11 | C12 | 114.4° | 109.4° |
| C10 | C11 | H15 | 108.2° | 109.4° |
| C10 | C11 | H16 | 108.2° | 109.5° |
| C11 | C10 | H17 | 110.1° | 109.4° |
| C11 | C10 | H18 | 110.1° | 109.5° |
| C10 | C8 | C9 | 118.6° | 120.1° |
| C8 | C10 | H17 | 110.1° | 109.5° |
| C8 | C10 | H18 | 110.1° | 109.5° |
| N1 | C4 | C3 | 119.6° | 120.8° |
| N1 | C4 | C5 | 121.4° | 119.8° |
| C30 | C29 | H31 | 120.0° | 117.5° |
| C30 | C29 | H32 | 120.0° | 117.5° |
| C29 | C30 | H33 | 119.9° | 117.5° |
| C29 | C30 | H34 | 119.9° | 117.5° |
| C11 | C12 | N2 | 116.6° | 120.0° |
| C11 | C12 | O1 | 121.1° | 120.1° |
| C12 | C11 | H15 | 108.2° | 109.5° |
| C12 | C11 | H16 | 108.2° | 109.5° |
| C8 | C9 | C5 | 119.3° | 118.3° |
| C8 | C9 | H21 | 120.4° | 120.8° |
| C27 | C26 | C25 | 179.0° | 180.0° |
| C26 | C27 | H29 | 109.7° | 109.5° |
| C26 | C27 | H30 | 109.8° | 109.5° |
| C3 | C4 | C5 | 118.9° | 119.4° |
| C4 | C3 | C2 | 120.5° | 120.1° |
| C4 | C3 | H23 | 119.7° | 119.9° |
| C4 | C5 | C9 | 118.4° | 119.1° |
| C4 | C5 | C6 | 119.9° | 119.8° |
| C3 | C2 | C1 | 121.0° | 120.9° |
| C2 | C3 | H23 | 119.7° | 119.9° |
| C3 | C2 | H24 | 119.5° | 119.6° |
| C9 | C5 | C6 | 121.7° | 121.1° |
| C5 | C9 | H21 | 120.4° | 120.9° |
| N2 | C12 | O1 | 122.2° | 120.0° |
| C12 | N2 | C13 | 122.4° | 120.0° |
| C12 | N2 | H14 | 118.8° | 120.0° |
| N2 | C13 | C14 | 107.4° | 109.5° |
| N2 | C13 | H12 | 110.0° | 109.4° |
| N2 | C13 | H13 | 110.0° | 109.5° |
| C13 | N2 | H14 | 118.8° | 120.0° |
| C5 | C6 | C1 | 121.4° | 119.5° |
| C5 | C6 | H22 | 119.3° | 120.3° |
| C26 | C25 | C20 | 178.1° | 180.0° |
| C2 | C1 | C6 | 118.2° | 120.4° |
| C2 | C1 | C19 | 121.1° | 119.8° |
| C1 | C2 | H24 | 119.5° | 119.5° |
| C13 | C14 | C15 | 116.4° | 109.4° |
| C13 | C14 | H10 | 107.7° | 109.4° |
| C13 | C14 | H11 | 107.7° | 109.4° |
| C14 | C13 | H12 | 110.0° | 109.5° |
| C14 | C13 | H13 | 110.0° | 109.5° |
| C6 | C1 | C19 | 120.5° | 119.8° |
| C1 | C6 | H22 | 119.3° | 120.2° |
| C25 | C20 | C19 | 116.4° | 120.2° |
| C25 | C20 | C21 | 121.9° | 120.2° |
| C14 | C15 | C18 | 109.2° | 109.4° |
| C14 | C15 | C16 | 109.2° | 109.5° |
| C14 | C15 | C17 | 110.9° | 109.5° |
| C15 | C14 | H10 | 107.7° | 109.5° |
| C15 | C14 | H11 | 107.7° | 109.5° |
| C1 | C19 | C20 | 116.7° | 120.2° |
| C1 | C19 | C24 | 124.6° | 120.2° |
| C19 | C20 | C21 | 121.7° | 119.6° |
| C20 | C19 | C24 | 118.7° | 119.6° |
| C20 | C21 | C22 | 118.5° | 120.0° |
| C20 | C21 | H28 | 120.7° | 120.0° |
| C19 | C24 | C23 | 119.2° | 120.0° |
| C19 | C24 | H25 | 120.4° | 120.0° |
| C18 | C15 | C16 | 108.5° | 109.4° |
| C18 | C15 | C17 | 111.1° | 109.5° |
| C15 | C18 | H7 | 109.5° | 109.5° |
| C15 | C18 | H8 | 109.5° | 109.5° |
| C15 | C18 | H9 | 109.5° | 109.5° |
| C16 | C15 | C17 | 107.8° | 109.5° |
| C15 | C16 | H1 | 109.5° | 109.4° |
| C15 | C16 | H2 | 109.5° | 109.5° |
| C15 | C16 | H3 | 109.5° | 109.4° |
| C15 | C17 | H4 | 109.5° | 109.4° |
| C15 | C17 | H5 | 109.5° | 109.4° |
| C15 | C17 | H6 | 109.5° | 109.4° |
| C21 | C22 | C23 | 120.3° | 120.4° |
| C21 | C22 | H27 | 119.9° | 119.8° |
| C22 | C21 | H28 | 120.8° | 120.0° |
| C24 | C23 | C22 | 121.5° | 120.4° |
| C23 | C24 | H25 | 120.4° | 120.0° |
| C24 | C23 | H26 | 119.2° | 119.7° |
| C22 | C23 | H26 | 119.3° | 119.8° |
| C23 | C22 | H27 | 119.8° | 119.8° |
| H1 | C16 | H2 | 109.5° | 109.5° |
| H1 | C16 | H3 | 109.5° | 109.5° |
| H2 | C16 | H3 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H4 | C17 | H6 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.4° | 109.5° |
| H7 | C18 | H8 | 109.5° | 109.4° |
| H7 | C18 | H9 | 109.4° | 109.5° |
| H8 | C18 | H9 | 109.5° | 109.4° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.4° |
| H17 | C10 | H18 | 109.5° | 109.5° |
| H19 | N3 | H20 | 109.5° | 120.0° |
| H29 | C27 | H30 | 109.5° | 109.5° |
| H31 | C29 | H32 | 109.5° | 115.5° |
| H33 | C30 | H34 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C35 | C36 | C34 | 178.4° | 179.8° |
| F1 | C35 | C36 | C37 | 179.6° | 180.0° |
| F1 | C35 | C34 | C33 | 179.5° | 179.8° |
| F1 | C35 | C34 | H37 | 0.5° | 0.2° |
| F1 | C35 | C36 | H38 | 0.4° | 0.2° |
| C35 | C36 | C37 | H38 | 180.0° | 179.7° |
| C36 | C35 | C34 | C33 | 1.0° | 0.0° |
| C35 | C36 | C37 | C32 | 0.4° | 0.5° |
| C36 | C35 | C34 | H37 | 178.9° | 180.0° |
| C35 | C36 | C37 | H39 | 179.5° | 180.0° |
| C34 | C35 | C36 | C37 | 1.2° | 0.2° |
| C35 | C34 | C33 | H37 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 0.1° | 0.0° |
| C35 | C34 | C33 | H36 | 179.9° | 179.9° |
| C34 | C35 | C36 | H38 | 178.8° | 180.0° |
| C36 | C37 | C32 | H39 | 180.0° | 179.5° |
| C36 | C37 | C32 | C33 | 0.5° | 0.5° |
| C36 | C37 | C32 | C31 | 179.4° | 179.7° |
| C34 | C33 | C32 | C37 | 0.7° | 0.3° |
| C34 | C33 | C32 | H36 | 180.0° | 179.9° |
| C34 | C33 | C32 | C31 | 179.2° | 180.0° |
| C37 | C32 | C33 | C31 | 179.9° | 179.7° |
| C37 | C32 | C31 | O2 | 141.6° | 174.8° |
| C37 | C32 | C31 | N4 | 42.3° | 5.2° |
| C37 | C32 | C33 | H36 | 179.3° | 179.8° |
| C32 | C37 | C36 | H38 | 179.6° | 179.8° |
| C33 | C32 | C31 | O2 | 38.5° | 5.4° |
| C33 | C32 | C31 | N4 | 137.6° | 174.5° |
| C32 | C33 | C34 | H37 | 179.9° | 180.0° |
| C33 | C32 | C37 | H39 | 179.5° | 180.0° |
| C32 | C31 | O2 | N4 | 175.8° | 180.0° |
| C32 | C31 | N4 | C28 | 179.8° | 175.1° |
| C32 | C31 | N4 | H35 | 0.2° | 4.9° |
| C31 | C32 | C33 | H36 | 0.8° | 0.0° |
| C31 | C32 | C37 | H39 | 0.6° | 0.2° |
| O2 | C31 | N4 | C28 | 4.1° | 4.9° |
| O2 | C31 | N4 | H35 | 175.9° | 175.2° |
| C31 | N4 | C28 | H35 | 180.0° | 179.9° |
| C31 | N4 | C28 | C29 | 56.2° | 173.4° |
| C31 | N4 | C28 | C30 | 121.9° | 104.7° |
| C31 | N4 | C28 | C27 | 90.6° | 41.0° |
| N3 | C7 | N1 | C8 | 179.6° | 179.9° |
| N3 | C7 | C8 | C10 | 2.5° | 0.1° |
| N3 | C7 | N1 | C4 | 179.0° | 180.0° |
| N3 | C7 | C8 | C9 | 179.3° | 179.7° |
| C7 | N3 | H19 | H20 | 120.0° | 179.9° |
| N4 | C28 | C29 | C30 | 102.6° | 107.5° |
| N4 | C28 | C29 | C27 | 146.2° | 145.0° |
| N4 | C28 | C30 | C27 | 146.0° | 145.0° |
| N4 | C28 | C27 | C26 | 167.7° | 79.7° |
| N4 | C28 | C27 | H29 | 47.9° | 40.3° |
| N4 | C28 | C27 | H30 | 72.5° | 160.3° |
| N4 | C28 | C29 | H31 | 147.9° | 145.0° |
| N4 | C28 | C29 | H32 | 6.8° | 0.0° |
| N4 | C28 | C30 | H33 | 2.6° | 0.0° |
| N4 | C28 | C30 | H34 | 143.3° | 145.0° |
| N1 | C7 | C8 | C10 | 177.1° | 180.0° |
| N1 | C7 | C8 | C9 | 1.1° | 0.2° |
| C7 | N1 | C4 | C3 | 179.6° | 180.0° |
| C7 | N1 | C4 | C5 | 0.9° | 0.2° |
| N1 | C7 | N3 | H19 | 0.0° | 0.1° |
| N1 | C7 | N3 | H20 | 120.0° | 180.0° |
| C7 | C8 | C10 | C11 | 71.0° | 79.8° |
| C7 | C8 | C10 | C9 | 178.2° | 179.8° |
| C8 | C7 | N1 | C4 | 1.4° | 0.0° |
| C7 | C8 | C9 | C5 | 0.3° | 0.2° |
| C7 | C8 | C10 | H17 | 169.4° | 160.3° |
| C7 | C8 | C10 | H18 | 48.6° | 40.2° |
| C8 | C7 | N3 | H19 | 179.6° | 180.0° |
| C8 | C7 | N3 | H20 | 60.4° | 0.1° |
| C7 | C8 | C9 | H21 | 179.7° | 179.7° |
| C29 | C28 | C30 | C27 | 107.0° | 107.5° |
| C28 | C29 | C30 | H31 | 109.5° | 107.5° |
| C28 | C29 | C30 | H32 | 109.5° | 107.5° |
| C29 | C28 | C27 | C26 | 46.5° | 66.0° |
| C29 | C28 | C27 | H29 | 166.3° | 174.0° |
| C29 | C28 | C27 | H30 | 73.3° | 54.0° |
| C28 | C29 | H31 | H32 | 144.7° | 145.6° |
| C29 | C28 | C30 | H33 | 109.6° | 107.5° |
| C29 | C28 | C30 | H34 | 109.6° | 107.5° |
| C29 | C28 | N4 | H35 | 123.7° | 6.6° |
| C30 | C28 | C27 | C26 | 23.0° | 134.6° |
| C30 | C28 | C27 | H29 | 96.8° | 105.4° |
| C30 | C28 | C27 | H30 | 142.8° | 14.6° |
| C28 | C30 | H33 | H34 | 144.4° | 145.6° |
| C30 | C28 | N4 | H35 | 58.1° | 75.2° |
| C28 | C27 | C26 | H29 | 119.8° | 120.0° |
| C28 | C27 | C26 | H30 | 119.8° | 120.0° |
| C28 | C27 | C26 | C25 | 11.8° | 169.4° |
| C28 | C27 | H29 | H30 | 120.5° | 120.0° |
| C27 | C28 | C29 | H31 | 1.6° | 0.0° |
| C27 | C28 | C29 | H32 | 139.4° | 145.0° |
| C27 | C28 | C30 | H33 | 143.4° | 145.0° |
| C27 | C28 | C30 | H34 | 2.7° | 0.0° |
| C27 | C28 | N4 | H35 | 89.4° | 139.1° |
| C11 | C10 | C8 | H17 | 119.6° | 119.9° |
| C11 | C10 | C8 | H18 | 119.6° | 120.0° |
| C10 | C11 | C12 | H15 | 120.7° | 120.0° |
| C10 | C11 | C12 | H16 | 120.7° | 120.0° |
| C11 | C10 | C8 | C9 | 107.2° | 100.0° |
| C10 | C11 | C12 | N2 | 105.0° | 180.0° |
| C10 | C11 | C12 | O1 | 73.7° | 0.0° |
| C10 | C11 | H15 | H16 | 117.8° | 120.0° |
| C11 | C10 | H17 | H18 | 121.1° | 120.0° |
| C8 | C10 | C11 | C12 | 51.7° | 180.0° |
| C10 | C8 | C9 | C5 | 178.0° | 180.0° |
| C8 | C10 | C11 | H15 | 69.0° | 60.0° |
| C8 | C10 | C11 | H16 | 172.4° | 59.9° |
| C8 | C10 | H17 | H18 | 121.1° | 120.0° |
| C10 | C8 | C9 | H21 | 2.0° | 0.1° |
| N1 | C4 | C3 | C5 | 179.6° | 179.7° |
| N1 | C4 | C3 | C2 | 179.4° | 180.0° |
| N1 | C4 | C5 | C9 | 0.0° | 0.3° |
| N1 | C4 | C5 | C6 | 179.2° | 179.8° |
| N1 | C4 | C3 | H23 | 0.6° | 0.0° |
| C30 | C29 | H31 | H32 | 144.7° | 145.7° |
| C29 | C30 | H33 | H34 | 144.3° | 145.8° |
| C11 | C12 | N2 | O1 | 178.6° | 180.0° |
| C11 | C12 | N2 | C13 | 177.3° | 180.0° |
| C11 | C12 | N2 | H14 | 2.7° | 0.0° |
| C12 | C11 | H15 | H16 | 117.7° | 120.1° |
| C12 | C11 | C10 | H17 | 67.9° | 60.1° |
| C12 | C11 | C10 | H18 | 171.3° | 60.0° |
| C8 | C9 | C5 | C4 | 0.3° | 0.0° |
| C8 | C9 | C5 | H21 | 180.0° | 179.9° |
| C8 | C9 | C5 | C6 | 178.9° | 180.0° |
| C9 | C8 | C10 | H17 | 12.4° | 19.9° |
| C9 | C8 | C10 | H18 | 133.2° | 140.0° |
| C27 | C26 | C25 | C20 | 72.5° | 27.4° |
| C26 | C27 | H29 | H30 | 120.5° | 120.0° |
| C4 | C3 | C2 | H23 | 180.0° | 180.0° |
| C3 | C4 | C5 | C9 | 179.6° | 180.0° |
| C3 | C4 | C5 | C6 | 1.2° | 0.0° |
| C4 | C3 | C2 | C1 | 1.0° | 0.5° |
| C4 | C3 | C2 | H24 | 179.0° | 180.0° |
| C5 | C4 | C3 | C2 | 1.0° | 0.3° |
| C4 | C5 | C9 | C6 | 179.2° | 180.0° |
| C4 | C5 | C6 | C1 | 1.5° | 0.0° |
| C4 | C5 | C9 | H21 | 179.7° | 179.9° |
| C4 | C5 | C6 | H22 | 178.5° | 179.9° |
| C5 | C4 | C3 | H23 | 179.0° | 179.8° |
| C3 | C2 | C1 | H24 | 180.0° | 179.5° |
| C3 | C2 | C1 | C6 | 1.2° | 0.5° |
| C3 | C2 | C1 | C19 | 175.9° | 179.7° |
| C9 | C5 | C6 | C1 | 179.3° | 180.0° |
| C9 | C5 | C6 | H22 | 0.7° | 0.1° |
| C12 | N2 | C13 | H14 | 180.0° | 180.0° |
| C12 | N2 | C13 | C14 | 94.4° | 180.0° |
| C12 | N2 | C13 | H12 | 146.0° | 60.0° |
| C12 | N2 | C13 | H13 | 25.3° | 60.0° |
| N2 | C12 | C11 | H15 | 15.7° | 60.0° |
| N2 | C12 | C11 | H16 | 134.3° | 60.0° |
| O1 | C12 | N2 | C13 | 1.4° | 0.0° |
| O1 | C12 | N2 | H14 | 178.6° | 180.0° |
| O1 | C12 | C11 | H15 | 165.6° | 120.0° |
| O1 | C12 | C11 | H16 | 47.1° | 120.0° |
| N2 | C13 | C14 | H12 | 119.7° | 120.0° |
| N2 | C13 | C14 | H13 | 119.7° | 120.0° |
| N2 | C13 | C14 | C15 | 176.0° | 180.0° |
| N2 | C13 | C14 | H10 | 55.0° | 60.0° |
| N2 | C13 | C14 | H11 | 63.0° | 60.0° |
| N2 | C13 | H12 | H13 | 121.0° | 120.0° |
| C5 | C6 | C1 | C2 | 1.5° | 0.3° |
| C5 | C6 | C1 | H22 | 180.0° | 179.9° |
| C5 | C6 | C1 | C19 | 176.2° | 180.0° |
| C6 | C5 | C9 | H21 | 1.1° | 0.1° |
| C26 | C25 | C20 | C19 | 3.6° | 158.0° |
| C26 | C25 | C20 | C21 | 177.5° | 22.3° |
| C25 | C26 | C27 | H29 | 131.6° | 49.4° |
| C25 | C26 | C27 | H30 | 108.1° | 70.7° |
| C2 | C1 | C6 | C19 | 174.7° | 179.7° |
| C2 | C1 | C19 | C20 | 106.3° | 55.5° |
| C2 | C1 | C19 | C24 | 71.9° | 124.8° |
| C2 | C1 | C6 | H22 | 178.6° | 179.8° |
| C1 | C2 | C3 | H23 | 179.0° | 179.5° |
| C13 | C14 | C15 | H10 | 121.0° | 119.9° |
| C13 | C14 | C15 | H11 | 121.0° | 120.0° |
| C13 | C14 | C15 | C18 | 80.4° | 180.0° |
| C13 | C14 | C15 | C16 | 161.1° | 60.0° |
| C13 | C14 | C15 | C17 | 42.4° | 60.0° |
| C13 | C14 | H10 | H11 | 116.9° | 119.9° |
| C14 | C13 | H12 | H13 | 121.0° | 120.0° |
| C14 | C13 | N2 | H14 | 85.6° | 0.0° |
| C6 | C1 | C19 | C20 | 68.2° | 124.3° |
| C6 | C1 | C19 | C24 | 113.5° | 55.5° |
| C6 | C1 | C2 | H24 | 178.8° | 180.0° |
| C25 | C20 | C19 | C1 | 0.3° | 0.0° |
| C25 | C20 | C19 | C21 | 178.9° | 179.6° |
| C25 | C20 | C19 | C24 | 178.1° | 179.7° |
| C25 | C20 | C21 | C22 | 178.0° | 179.7° |
| C25 | C20 | C21 | H28 | 2.0° | 0.1° |
| C14 | C15 | C18 | C16 | 119.0° | 120.0° |
| C14 | C15 | C18 | C17 | 122.6° | 120.0° |
| C14 | C15 | C16 | C17 | 120.5° | 120.0° |
| C14 | C15 | C16 | H1 | 180.0° | 60.1° |
| C14 | C15 | C16 | H2 | 60.0° | 60.0° |
| C14 | C15 | C16 | H3 | 60.0° | 180.0° |
| C14 | C15 | C17 | H4 | 180.0° | 179.9° |
| C14 | C15 | C17 | H5 | 60.0° | 60.0° |
| C14 | C15 | C17 | H6 | 60.0° | 60.0° |
| C14 | C15 | C18 | H7 | 180.0° | 59.9° |
| C14 | C15 | C18 | H8 | 60.0° | 60.0° |
| C14 | C15 | C18 | H9 | 60.0° | 180.0° |
| C15 | C14 | H10 | H11 | 116.8° | 120.1° |
| C15 | C14 | C13 | H12 | 64.3° | 60.0° |
| C15 | C14 | C13 | H13 | 56.3° | 60.0° |
| C1 | C19 | C20 | C24 | 178.4° | 179.7° |
| C1 | C19 | C20 | C21 | 179.2° | 179.7° |
| C1 | C19 | C24 | C23 | 179.0° | 180.0° |
| C19 | C1 | C6 | H22 | 3.8° | 0.1° |
| C19 | C1 | C2 | H24 | 4.1° | 0.3° |
| C1 | C19 | C24 | H25 | 0.9° | 0.0° |
| C19 | C20 | C21 | C22 | 0.9° | 0.6° |
| C20 | C19 | C24 | C23 | 0.8° | 0.3° |
| C20 | C19 | C24 | H25 | 179.2° | 179.7° |
| C19 | C20 | C21 | H28 | 179.2° | 179.7° |
| C21 | C20 | C19 | C24 | 0.8° | 0.6° |
| C20 | C21 | C22 | H28 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 0.9° | 0.3° |
| C20 | C21 | C22 | H27 | 179.1° | 179.8° |
| C19 | C24 | C23 | H25 | 180.0° | 180.0° |
| C19 | C24 | C23 | C22 | 0.9° | 0.0° |
| C19 | C24 | C23 | H26 | 179.1° | 180.0° |
| C18 | C15 | C16 | C17 | 120.5° | 120.0° |
| C18 | C15 | C16 | H1 | 61.0° | 180.0° |
| C18 | C15 | C16 | H2 | 179.0° | 60.0° |
| C18 | C15 | C16 | H3 | 59.0° | 60.0° |
| C18 | C15 | C17 | H4 | 58.3° | 60.0° |
| C18 | C15 | C17 | H5 | 61.7° | 60.0° |
| C18 | C15 | C17 | H6 | 178.3° | 180.0° |
| C15 | C18 | H7 | H8 | 120.0° | 120.0° |
| C15 | C18 | H7 | H9 | 120.0° | 120.1° |
| C15 | C18 | H8 | H9 | 120.0° | 120.0° |
| C18 | C15 | C14 | H10 | 158.6° | 60.1° |
| C18 | C15 | C14 | H11 | 40.6° | 60.0° |
| C15 | C16 | H1 | H2 | 120.0° | 120.0° |
| C15 | C16 | H1 | H3 | 120.0° | 119.9° |
| C15 | C16 | H2 | H3 | 120.0° | 120.0° |
| C16 | C15 | C17 | H4 | 60.5° | 60.0° |
| C16 | C15 | C17 | H5 | 179.5° | 180.0° |
| C16 | C15 | C17 | H6 | 59.6° | 60.0° |
| C16 | C15 | C18 | H7 | 61.0° | 60.0° |
| C16 | C15 | C18 | H8 | 59.0° | 180.0° |
| C16 | C15 | C18 | H9 | 179.0° | 60.0° |
| C16 | C15 | C14 | H10 | 40.1° | 179.9° |
| C16 | C15 | C14 | H11 | 77.9° | 59.9° |
| C17 | C15 | C16 | H1 | 59.5° | 60.0° |
| C17 | C15 | C16 | H2 | 60.5° | 180.0° |
| C17 | C15 | C16 | H3 | 179.5° | 60.0° |
| C15 | C17 | H4 | H5 | 120.0° | 120.0° |
| C15 | C17 | H4 | H6 | 120.0° | 120.0° |
| C15 | C17 | H5 | H6 | 120.0° | 120.0° |
| C17 | C15 | C18 | H7 | 57.4° | 180.0° |
| C17 | C15 | C18 | H8 | 177.4° | 60.0° |
| C17 | C15 | C18 | H9 | 62.6° | 59.9° |
| C17 | C15 | C14 | H10 | 78.6° | 59.9° |
| C17 | C15 | C14 | H11 | 163.4° | 180.0° |
| C21 | C22 | C23 | C24 | 0.9° | 0.0° |
| C21 | C22 | C23 | H27 | 180.0° | 179.9° |
| C21 | C22 | C23 | H26 | 179.1° | 180.0° |
| C24 | C23 | C22 | H26 | 180.0° | 180.0° |
| C24 | C23 | C22 | H27 | 179.1° | 179.9° |
| C22 | C23 | C24 | H25 | 179.1° | 180.0° |
| C23 | C22 | C21 | H28 | 179.1° | 180.0° |
| H1 | C16 | H2 | H3 | 120.0° | 120.1° |
| H4 | C17 | H5 | H6 | 120.0° | 120.1° |
| H7 | C18 | H8 | H9 | 120.0° | 120.0° |
| H10 | C14 | C13 | H12 | 174.6° | 180.0° |
| H10 | C14 | C13 | H13 | 64.7° | 60.0° |
| H11 | C14 | C13 | H12 | 56.7° | 60.0° |
| H11 | C14 | C13 | H13 | 177.3° | 180.0° |
| H12 | C13 | N2 | H14 | 34.1° | 120.0° |
| H13 | C13 | N2 | H14 | 154.7° | 120.0° |
| H15 | C11 | C10 | H17 | 171.3° | 179.9° |
| H15 | C11 | C10 | H18 | 50.6° | 60.0° |
| H16 | C11 | C10 | H17 | 52.8° | 60.0° |
| H16 | C11 | C10 | H18 | 68.0° | 179.9° |
| H23 | C3 | C2 | H24 | 1.0° | 0.0° |
| H25 | C24 | C23 | H26 | 0.9° | 0.0° |
| H26 | C23 | C22 | H27 | 0.9° | 0.1° |
| H27 | C22 | C21 | H28 | 0.9° | 0.1° |
| H31 | C29 | C30 | H33 | 140.9° | 145.0° |
| H31 | C29 | C30 | H34 | 0.2° | 0.1° |
| H32 | C29 | C30 | H33 | 0.2° | 0.0° |
| H32 | C29 | C30 | H34 | 140.9° | 145.1° |
| H36 | C33 | C34 | H37 | 0.1° | 0.1° |
| H38 | C36 | C37 | H39 | 0.5° | 0.3° |
