LZP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.46Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.46Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.57Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.48Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.49Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.58Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.58Å | |
| C7 | O1 | sing | 1.43Å | 1.48Å | |
| C8 | C9 | doub | 1.39Å | 1.51Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.49Å | Aromatic |
| C8 | O1 | sing | 1.36Å | 1.44Å | |
| C9 | C10 | sing | 1.38Å | 1.47Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.46Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.49Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.48Å | Aromatic |
| C12 | C14 | sing | 1.47Å | 1.53Å | |
| C14 | C15 | sing | 1.51Å | 1.57Å | |
| C14 | O2 | doub | 1.21Å | 1.24Å | |
| C15 | C16 | sing | 1.51Å | 1.57Å | |
| C16 | C17 | sing | 1.49Å | 1.56Å | |
| C16 | O3 | doub | 1.21Å | 1.24Å | |
| C17 | N1 | sing | 1.35Å | 1.44Å | |
| C17 | O4 | doub | 1.21Å | 1.25Å | |
| C18 | C19 | sing | 1.53Å | 1.60Å | |
| C18 | N1 | sing | 1.47Å | 1.55Å | |
| C19 | N2 | sing | 1.47Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.59Å | |
| C20 | N2 | sing | 1.47Å | 1.52Å | |
| C21 | N1 | sing | 1.47Å | 1.54Å | |
| N2 | C22 | sing | 1.35Å | 1.41Å | |
| C22 | C23 | sing | 1.49Å | 1.55Å | |
| C22 | O5 | doub | 1.21Å | 1.26Å | |
| C23 | C24 | sing | 1.51Å | 1.56Å | |
| C23 | O6 | doub | 1.21Å | 1.24Å | |
| C24 | C25 | sing | 1.51Å | 1.57Å | |
| C25 | C27 | sing | 1.47Å | 1.54Å | |
| C25 | O7 | doub | 1.21Å | 1.24Å | |
| C26 | C27 | doub | 1.40Å | 1.48Å | Aromatic |
| C26 | C31 | sing | 1.38Å | 1.49Å | Aromatic |
| C27 | C28 | sing | 1.40Å | 1.49Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.46Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.47Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.50Å | Aromatic |
| C31 | O8 | sing | 1.36Å | 1.44Å | |
| C32 | C34 | sing | 1.51Å | 1.57Å | |
| C32 | O8 | sing | 1.43Å | 1.47Å | |
| C33 | C34 | doub | 1.38Å | 1.58Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.46Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.49Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.47Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.57Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.46Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.9° | 120.0° |
| C1 | C2 | C3 | 119.5° | 120.0° |
| C2 | C1 | H1 | 119.5° | 120.0° |
| C1 | C2 | H2 | 120.3° | 120.0° |
| C1 | C6 | C5 | 121.7° | 120.0° |
| C6 | C1 | H1 | 119.5° | 120.0° |
| C1 | C6 | H6 | 119.1° | 120.0° |
| C2 | C3 | C4 | 119.2° | 120.0° |
| C3 | C2 | H2 | 120.3° | 120.0° |
| C2 | C3 | H3 | 120.4° | 120.0° |
| C3 | C4 | C5 | 122.3° | 120.0° |
| C4 | C3 | H3 | 120.4° | 120.0° |
| C3 | C4 | H4 | 118.8° | 120.0° |
| C4 | C5 | C6 | 116.3° | 120.0° |
| C4 | C5 | C7 | 121.1° | 120.0° |
| C5 | C4 | H4 | 118.8° | 120.0° |
| C6 | C5 | C7 | 122.5° | 120.0° |
| C5 | C6 | H6 | 119.1° | 120.0° |
| C5 | C7 | O1 | 115.7° | 109.5° |
| C5 | C7 | H7 | 107.5° | 109.4° |
| C5 | C7 | H7A | 106.0° | 109.5° |
| C7 | O1 | C8 | 124.8° | 117.0° |
| O1 | C7 | H7 | 107.4° | 109.4° |
| O1 | C7 | H7A | 106.0° | 109.5° |
| C9 | C8 | C13 | 115.2° | 120.0° |
| C9 | C8 | O1 | 122.3° | 120.0° |
| C8 | C9 | C10 | 122.5° | 120.3° |
| C8 | C9 | H9 | 118.8° | 119.9° |
| C13 | C8 | O1 | 122.5° | 120.0° |
| C8 | C13 | C12 | 123.4° | 119.8° |
| C8 | C13 | H13 | 118.3° | 120.1° |
| C9 | C10 | C11 | 120.0° | 120.2° |
| C10 | C9 | H9 | 118.7° | 119.8° |
| C9 | C10 | H10 | 120.0° | 119.9° |
| C10 | C11 | C12 | 120.7° | 120.0° |
| C11 | C10 | H10 | 120.0° | 119.9° |
| C10 | C11 | H11 | 119.7° | 120.0° |
| C11 | C12 | C13 | 118.2° | 119.7° |
| C11 | C12 | C14 | 120.1° | 120.2° |
| C12 | C11 | H11 | 119.7° | 120.0° |
| C13 | C12 | C14 | 121.8° | 120.1° |
| C12 | C13 | H13 | 118.3° | 120.1° |
| C12 | C14 | C15 | 119.4° | 120.0° |
| C12 | C14 | O2 | 121.4° | 120.0° |
| C15 | C14 | O2 | 119.2° | 120.0° |
| C14 | C15 | C16 | 119.4° | 109.5° |
| C14 | C15 | H15 | 106.3° | 109.4° |
| C14 | C15 | H15A | 104.0° | 109.5° |
| C15 | C16 | C17 | 118.7° | 120.0° |
| C15 | C16 | O3 | 121.0° | 120.0° |
| C16 | C15 | H15 | 106.3° | 109.5° |
| C16 | C15 | H15A | 104.0° | 109.5° |
| C17 | C16 | O3 | 120.3° | 120.0° |
| C16 | C17 | N1 | 121.7° | 120.0° |
| C16 | C17 | O4 | 116.6° | 120.1° |
| N1 | C17 | O4 | 121.8° | 120.0° |
| C17 | N1 | C18 | 123.2° | 120.6° |
| C17 | N1 | C21 | 123.7° | 120.6° |
| C19 | C18 | N1 | 110.1° | 108.7° |
| C18 | C19 | N2 | 108.1° | 108.6° |
| C19 | C18 | H18 | 109.2° | 109.7° |
| C19 | C18 | H18A | 109.1° | 109.6° |
| C18 | C19 | H19 | 109.9° | 109.6° |
| C18 | C19 | H19A | 110.2° | 109.6° |
| C18 | N1 | C21 | 113.1° | 118.8° |
| N1 | C18 | H18 | 109.3° | 109.6° |
| N1 | C18 | H18A | 109.1° | 109.6° |
| C19 | N2 | C20 | 113.8° | 118.9° |
| C19 | N2 | C22 | 119.2° | 120.6° |
| N2 | C19 | H19 | 109.9° | 109.6° |
| N2 | C19 | H19A | 110.2° | 109.6° |
| C21 | C20 | N2 | 109.9° | 108.6° |
| C20 | C21 | N1 | 109.6° | 108.6° |
| C21 | C20 | H20 | 109.4° | 109.6° |
| C21 | C20 | H20A | 109.3° | 109.6° |
| C20 | C21 | H21 | 109.4° | 109.6° |
| C20 | C21 | H21A | 109.4° | 109.6° |
| C20 | N2 | C22 | 127.0° | 120.6° |
| N2 | C20 | H20 | 109.3° | 109.7° |
| N2 | C20 | H20A | 109.2° | 109.6° |
| N1 | C21 | H21 | 109.4° | 109.6° |
| N1 | C21 | H21A | 109.4° | 109.6° |
| N2 | C22 | C23 | 120.6° | 120.0° |
| N2 | C22 | O5 | 122.5° | 120.0° |
| C23 | C22 | O5 | 116.9° | 120.1° |
| C22 | C23 | C24 | 116.7° | 120.0° |
| C22 | C23 | O6 | 122.1° | 120.0° |
| C24 | C23 | O6 | 121.2° | 120.0° |
| C23 | C24 | C25 | 120.4° | 109.5° |
| C23 | C24 | H24 | 106.0° | 109.4° |
| C23 | C24 | H24A | 103.4° | 109.5° |
| C24 | C25 | C27 | 119.0° | 120.0° |
| C24 | C25 | O7 | 119.2° | 120.0° |
| C25 | C24 | H24 | 106.0° | 109.5° |
| C25 | C24 | H24A | 103.5° | 109.5° |
| C27 | C25 | O7 | 121.8° | 120.0° |
| C25 | C27 | C26 | 122.2° | 120.1° |
| C25 | C27 | C28 | 119.8° | 120.1° |
| C27 | C26 | C31 | 123.6° | 119.8° |
| C26 | C27 | C28 | 118.0° | 119.7° |
| C27 | C26 | H26 | 118.2° | 120.1° |
| C26 | C31 | C30 | 115.4° | 120.1° |
| C26 | C31 | O8 | 123.7° | 120.0° |
| C31 | C26 | H26 | 118.2° | 120.2° |
| C27 | C28 | C29 | 120.7° | 119.9° |
| C27 | C28 | H28 | 119.7° | 120.0° |
| C28 | C29 | C30 | 119.9° | 120.2° |
| C29 | C28 | H28 | 119.7° | 120.0° |
| C28 | C29 | H29 | 120.0° | 119.9° |
| C29 | C30 | C31 | 122.5° | 120.3° |
| C30 | C29 | H29 | 120.0° | 119.9° |
| C29 | C30 | H30 | 118.8° | 119.8° |
| C30 | C31 | O8 | 120.9° | 119.9° |
| C31 | C30 | H30 | 118.8° | 119.9° |
| C31 | O8 | C32 | 123.7° | 117.0° |
| C34 | C32 | O8 | 114.6° | 109.5° |
| C32 | C34 | C33 | 122.6° | 120.0° |
| C32 | C34 | C35 | 120.8° | 120.0° |
| C34 | C32 | H32 | 107.8° | 109.5° |
| C34 | C32 | H32A | 106.6° | 109.5° |
| O8 | C32 | H32 | 107.8° | 109.4° |
| O8 | C32 | H32A | 106.6° | 109.4° |
| C34 | C33 | C38 | 121.6° | 120.0° |
| C33 | C34 | C35 | 116.6° | 120.0° |
| C34 | C33 | H33 | 119.2° | 120.0° |
| C33 | C38 | C37 | 120.8° | 120.0° |
| C38 | C33 | H33 | 119.2° | 120.0° |
| C33 | C38 | H38 | 119.6° | 120.0° |
| C34 | C35 | C36 | 122.2° | 120.0° |
| C34 | C35 | H35 | 118.9° | 120.0° |
| C35 | C36 | C37 | 119.4° | 120.0° |
| C36 | C35 | H35 | 118.9° | 120.0° |
| C35 | C36 | H36 | 120.3° | 120.0° |
| C36 | C37 | C38 | 119.4° | 120.0° |
| C37 | C36 | H36 | 120.3° | 120.0° |
| C36 | C37 | H37 | 120.3° | 120.0° |
| C38 | C37 | H37 | 120.3° | 120.0° |
| C37 | C38 | H38 | 119.6° | 120.0° |
| H7 | C7 | H7A | 114.5° | 109.5° |
| H15 | C15 | H15A | 117.6° | 109.5° |
| H18 | C18 | H18A | 110.0° | 109.8° |
| H19 | C19 | H19A | 108.4° | 109.8° |
| H20 | C20 | H20A | 109.8° | 109.7° |
| H21 | C21 | H21A | 109.6° | 109.7° |
| H24 | C24 | H24A | 118.5° | 109.4° |
| H32 | C32 | H32A | 113.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.0° | NaN° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | C7 | 179.9° | 180.0° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C3 | C2 | C1 | H1 | 180.0° | 179.8° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | C7 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| C4 | C5 | C6 | C7 | 180.0° | 180.0° |
| C4 | C5 | C7 | O1 | 30.4° | 90.0° |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C4 | C5 | C7 | H7 | 89.6° | 150.1° |
| C4 | C5 | C7 | H7A | 147.5° | 30.1° |
| C6 | C5 | C7 | O1 | 149.6° | 90.1° |
| C5 | C6 | C1 | H1 | 179.9° | 179.7° |
| C6 | C5 | C4 | H4 | 180.0° | 179.9° |
| C6 | C5 | C7 | H7 | 90.4° | 29.9° |
| C6 | C5 | C7 | H7A | 32.4° | 149.9° |
| C5 | C7 | O1 | H7 | 120.0° | 120.0° |
| C5 | C7 | O1 | H7A | 117.2° | 120.0° |
| C5 | C7 | O1 | C8 | 81.2° | 180.0° |
| C7 | C5 | C4 | H4 | 0.0° | 0.0° |
| C7 | C5 | C6 | H6 | 0.1° | 0.1° |
| C5 | C7 | H7 | H7A | 117.5° | 120.0° |
| C7 | O1 | C8 | C9 | 15.5° | 0.0° |
| C7 | O1 | C8 | C13 | 164.5° | 179.7° |
| O1 | C7 | H7 | H7A | 117.4° | 120.0° |
| C9 | C8 | C13 | O1 | 179.9° | 179.7° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C9 | C8 | C13 | C12 | 0.0° | 0.0° |
| C8 | C9 | C10 | H10 | 179.9° | 179.9° |
| C9 | C8 | C13 | H13 | 180.0° | 180.0° |
| C13 | C8 | C9 | C10 | 0.0° | 0.0° |
| C8 | C13 | C12 | C11 | 0.1° | 0.0° |
| C8 | C13 | C12 | H13 | 180.0° | 180.0° |
| C8 | C13 | C12 | C14 | 179.9° | 179.9° |
| C13 | C8 | C9 | H9 | 180.0° | 180.0° |
| O1 | C8 | C9 | C10 | 180.0° | 179.7° |
| O1 | C8 | C13 | C12 | 179.9° | 179.7° |
| C8 | O1 | C7 | H7 | 158.8° | 60.0° |
| C8 | O1 | C7 | H7A | 35.9° | 60.0° |
| O1 | C8 | C9 | H9 | 0.0° | 0.3° |
| O1 | C8 | C13 | H13 | 0.1° | 0.3° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C9 | C10 | C11 | H11 | 179.9° | 179.9° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | C12 | C14 | 180.0° | 180.0° |
| C11 | C10 | C9 | H9 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 180.0° | 179.9° |
| C11 | C12 | C14 | C15 | 53.6° | 0.0° |
| C11 | C12 | C14 | O2 | 126.5° | 180.0° |
| C12 | C11 | C10 | H10 | 179.9° | 180.0° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C13 | C12 | C14 | C15 | 126.4° | 180.0° |
| C13 | C12 | C14 | O2 | 53.5° | 0.1° |
| C13 | C12 | C11 | H11 | 180.0° | 179.9° |
| C12 | C14 | C15 | O2 | 179.9° | 180.0° |
| C12 | C14 | C15 | C16 | 112.8° | 180.0° |
| C14 | C12 | C11 | H11 | 0.0° | 0.0° |
| C14 | C12 | C13 | H13 | 0.1° | 0.1° |
| C12 | C14 | C15 | H15 | 7.2° | 60.1° |
| C12 | C14 | C15 | H15A | 132.0° | 60.0° |
| C14 | C15 | C16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15A | 115.2° | 120.0° |
| C14 | C15 | C16 | C17 | 164.0° | 180.0° |
| C14 | C15 | C16 | O3 | 16.8° | 0.0° |
| C14 | C15 | H15 | H15A | 115.9° | 120.0° |
| O2 | C14 | C15 | C16 | 67.3° | 0.0° |
| O2 | C14 | C15 | H15 | 172.7° | 120.0° |
| O2 | C14 | C15 | H15A | 47.9° | 120.0° |
| C15 | C16 | C17 | O3 | 179.2° | 180.0° |
| C15 | C16 | C17 | N1 | 69.5° | 172.0° |
| C15 | C16 | C17 | O4 | 110.9° | 8.0° |
| C16 | C15 | H15 | H15A | 115.9° | 120.0° |
| C16 | C17 | N1 | O4 | 179.6° | 180.0° |
| C16 | C17 | N1 | C18 | 179.8° | 4.5° |
| C16 | C17 | N1 | C21 | 0.3° | 175.5° |
| C17 | C16 | C15 | H15 | 44.0° | 60.0° |
| C17 | C16 | C15 | H15A | 80.8° | 60.0° |
| O3 | C16 | C17 | N1 | 111.3° | 8.0° |
| O3 | C16 | C17 | O4 | 68.3° | 172.0° |
| O3 | C16 | C15 | H15 | 136.8° | 120.0° |
| O3 | C16 | C15 | H15A | 98.4° | 120.0° |
| C17 | N1 | C18 | C19 | 139.9° | 124.7° |
| C17 | N1 | C18 | C21 | 179.9° | 180.0° |
| C17 | N1 | C21 | C20 | 114.9° | 124.8° |
| C17 | N1 | C18 | H18 | 100.2° | 115.5° |
| C17 | N1 | C18 | H18A | 20.1° | 5.0° |
| C17 | N1 | C21 | H21 | 5.0° | 5.0° |
| C17 | N1 | C21 | H21A | 125.1° | 115.5° |
| O4 | C17 | N1 | C18 | 0.2° | 175.5° |
| O4 | C17 | N1 | C21 | 179.9° | 4.6° |
| C19 | C18 | N1 | H18 | 120.0° | 119.8° |
| C19 | C18 | N1 | H18A | 119.7° | 119.8° |
| C18 | C19 | N2 | H19 | 120.0° | 119.7° |
| C18 | C19 | N2 | H19A | 120.6° | 119.7° |
| C18 | C19 | N2 | C20 | 66.9° | 55.2° |
| C19 | C18 | N1 | C21 | 40.1° | 55.2° |
| C18 | C19 | N2 | C22 | 114.3° | 124.8° |
| C19 | C18 | H18 | H18A | 119.7° | 120.5° |
| C18 | C19 | H19 | H19A | 120.6° | 120.4° |
| N1 | C18 | C19 | N2 | 22.0° | 49.4° |
| C18 | N1 | C21 | C20 | 65.0° | 55.2° |
| N1 | C18 | H18 | H18A | 119.7° | 120.3° |
| N1 | C18 | C19 | H19 | 142.0° | 70.3° |
| N1 | C18 | C19 | H19A | 98.5° | 169.1° |
| C18 | N1 | C21 | H21 | 175.0° | 174.9° |
| C18 | N1 | C21 | H21A | 55.0° | 64.6° |
| C19 | N2 | C20 | C21 | 42.6° | 55.2° |
| C19 | N2 | C20 | C22 | 178.6° | 180.0° |
| C19 | N2 | C22 | C23 | 178.5° | 4.6° |
| C19 | N2 | C22 | O5 | 0.6° | 175.4° |
| N2 | C19 | C18 | H18 | 142.0° | 70.3° |
| N2 | C19 | C18 | H18A | 97.7° | 169.1° |
| N2 | C19 | H19 | H19A | 120.5° | 120.5° |
| C19 | N2 | C20 | H20 | 77.4° | 175.0° |
| C19 | N2 | C20 | H20A | 162.5° | 64.5° |
| C21 | C20 | N2 | H20 | 120.0° | 119.8° |
| C21 | C20 | N2 | H20A | 119.8° | 119.8° |
| C20 | C21 | N1 | H21 | 120.0° | 119.7° |
| C20 | C21 | N1 | H21A | 120.0° | 119.8° |
| C21 | C20 | N2 | C22 | 138.8° | 124.8° |
| C21 | C20 | H20 | H20A | 119.8° | 120.4° |
| C20 | C21 | H21 | H21A | 119.9° | 120.5° |
| N2 | C20 | C21 | N1 | 21.1° | 49.4° |
| C20 | N2 | C22 | C23 | 3.0° | 175.4° |
| C20 | N2 | C22 | O5 | 178.0° | 4.5° |
| C20 | N2 | C19 | H19 | 173.0° | 64.5° |
| C20 | N2 | C19 | H19A | 53.6° | 174.9° |
| N2 | C20 | H20 | H20A | 119.8° | 120.4° |
| N2 | C20 | C21 | H21 | 141.1° | 169.1° |
| N2 | C20 | C21 | H21A | 98.8° | 70.4° |
| C21 | N1 | C18 | H18 | 79.9° | 64.6° |
| C21 | N1 | C18 | H18A | 159.8° | 175.0° |
| N1 | C21 | C20 | H20 | 141.1° | 169.2° |
| N1 | C21 | C20 | H20A | 98.7° | 70.3° |
| N1 | C21 | H21 | H21A | 120.0° | 120.4° |
| N2 | C22 | C23 | O5 | 179.1° | 180.0° |
| N2 | C22 | C23 | C24 | 141.0° | 172.0° |
| N2 | C22 | C23 | O6 | 38.7° | 8.1° |
| C22 | N2 | C19 | H19 | 5.7° | 115.5° |
| C22 | N2 | C19 | H19A | 125.1° | 5.1° |
| C22 | N2 | C20 | H20 | 101.2° | 5.0° |
| C22 | N2 | C20 | H20A | 19.0° | 115.4° |
| C22 | C23 | C24 | O6 | 179.7° | 179.9° |
| C22 | C23 | C24 | C25 | 73.0° | 180.0° |
| C22 | C23 | C24 | H24 | 47.0° | 60.0° |
| C22 | C23 | C24 | H24A | 172.3° | 59.9° |
| O5 | C22 | C23 | C24 | 38.1° | 8.0° |
| O5 | C22 | C23 | O6 | 142.2° | 172.0° |
| C23 | C24 | C25 | H24 | 120.0° | 120.0° |
| C23 | C24 | C25 | H24A | 114.6° | 120.0° |
| C23 | C24 | C25 | C27 | 77.9° | 180.0° |
| C23 | C24 | C25 | O7 | 102.1° | 0.0° |
| C23 | C24 | H24 | H24A | 115.5° | 119.9° |
| O6 | C23 | C24 | C25 | 106.7° | 0.0° |
| O6 | C23 | C24 | H24 | 133.3° | 120.1° |
| O6 | C23 | C24 | H24A | 8.0° | 120.0° |
| C24 | C25 | C27 | O7 | 180.0° | 180.0° |
| C24 | C25 | C27 | C26 | 36.8° | 180.0° |
| C24 | C25 | C27 | C28 | 143.1° | 0.0° |
| C25 | C24 | H24 | H24A | 115.5° | 120.1° |
| C25 | C27 | C26 | C28 | 179.9° | 180.0° |
| C25 | C27 | C26 | C31 | 179.9° | 179.9° |
| C25 | C27 | C28 | C29 | 179.9° | 179.9° |
| C27 | C25 | C24 | H24 | 42.1° | 60.0° |
| C27 | C25 | C24 | H24A | 167.5° | 60.0° |
| C25 | C27 | C26 | H26 | 0.1° | 0.3° |
| C25 | C27 | C28 | H28 | 0.0° | 0.0° |
| O7 | C25 | C27 | C26 | 143.1° | 0.0° |
| O7 | C25 | C27 | C28 | 37.0° | 180.0° |
| O7 | C25 | C24 | H24 | 137.9° | 120.0° |
| O7 | C25 | C24 | H24A | 12.5° | 120.0° |
| C27 | C26 | C31 | H26 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 0.0° | 0.0° |
| C27 | C26 | C31 | C30 | 0.0° | 0.1° |
| C27 | C26 | C31 | O8 | 179.7° | 180.0° |
| C26 | C27 | C28 | H28 | 179.9° | 179.9° |
| C31 | C26 | C27 | C28 | 0.0° | 0.0° |
| C26 | C31 | C30 | C29 | 0.0° | 0.1° |
| C26 | C31 | C30 | O8 | 179.7° | 179.9° |
| C26 | C31 | O8 | C32 | 58.5° | 180.0° |
| C26 | C31 | C30 | H30 | 180.0° | 179.9° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.1° | 0.0° |
| C28 | C27 | C26 | H26 | 180.0° | 179.7° |
| C27 | C28 | C29 | H29 | 179.9° | 180.0° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.1° | 0.1° |
| C28 | C29 | C30 | H30 | 179.9° | 180.0° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | O8 | 179.7° | 180.0° |
| C30 | C29 | C28 | H28 | 179.9° | 179.9° |
| C30 | C31 | O8 | C32 | 121.9° | 0.1° |
| C30 | C31 | C26 | H26 | 180.0° | 179.7° |
| C31 | C30 | C29 | H29 | 179.9° | 180.0° |
| C31 | O8 | C32 | C34 | 91.2° | 180.0° |
| O8 | C31 | C26 | H26 | 0.3° | 0.2° |
| O8 | C31 | C30 | H30 | 0.3° | 0.1° |
| C31 | O8 | C32 | H32 | 148.8° | 60.0° |
| C31 | O8 | C32 | H32A | 26.5° | 59.9° |
| C34 | C32 | O8 | H32 | 120.0° | 120.0° |
| C34 | C32 | O8 | H32A | 117.7° | 120.0° |
| C32 | C34 | C33 | C35 | 179.9° | 180.0° |
| C32 | C34 | C33 | C38 | 179.8° | 179.9° |
| C32 | C34 | C35 | C36 | 179.9° | 180.0° |
| C34 | C32 | H32 | H32A | 117.9° | 120.1° |
| C32 | C34 | C33 | H33 | 0.2° | 0.3° |
| C32 | C34 | C35 | H35 | 0.1° | 0.0° |
| O8 | C32 | C34 | C33 | 127.6° | 90.0° |
| O8 | C32 | C34 | C35 | 52.3° | 90.0° |
| O8 | C32 | H32 | H32A | 117.9° | 120.0° |
| C34 | C33 | C38 | H33 | 180.0° | 179.6° |
| C33 | C34 | C35 | C36 | 0.0° | 0.0° |
| C34 | C33 | C38 | C37 | 0.0° | 0.1° |
| C33 | C34 | C32 | H32 | 112.4° | 150.0° |
| C33 | C34 | C32 | H32A | 9.9° | 30.0° |
| C33 | C34 | C35 | H35 | 180.0° | 180.0° |
| C34 | C33 | C38 | H38 | 180.0° | 179.9° |
| C38 | C33 | C34 | C35 | 0.0° | 0.1° |
| C33 | C38 | C37 | C36 | 0.0° | 0.1° |
| C33 | C38 | C37 | H38 | 180.0° | 179.8° |
| C33 | C38 | C37 | H37 | 180.0° | 179.8° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.0° | 0.1° |
| C35 | C34 | C32 | H32 | 67.7° | 30.0° |
| C35 | C34 | C32 | H32A | 170.0° | 150.0° |
| C35 | C34 | C33 | H33 | 180.0° | 179.7° |
| C34 | C35 | C36 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.1° | 0.0° |
| C35 | C36 | C37 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C37 | C36 | C35 | H35 | 179.9° | 180.0° |
| C36 | C37 | C38 | H38 | 180.0° | 179.9° |
| C37 | C38 | C33 | H33 | 180.0° | 179.8° |
| C38 | C37 | C36 | H36 | 179.9° | 180.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.3° |
| H1 | C1 | C6 | H6 | 0.1° | 0.2° |
| H2 | C2 | C3 | H3 | 0.1° | 0.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.1° |
| H9 | C9 | C10 | H10 | 0.1° | 0.1° |
| H10 | C10 | C11 | H11 | 0.1° | 0.0° |
| H18 | C18 | C19 | H19 | 98.0° | 170.0° |
| H18 | C18 | C19 | H19A | 21.5° | 49.4° |
| H18A | C18 | C19 | H19 | 22.3° | 49.4° |
| H18A | C18 | C19 | H19A | 141.7° | 71.2° |
| H20 | C20 | C21 | H21 | 98.9° | 71.1° |
| H20 | C20 | C21 | H21A | 21.2° | 49.4° |
| H20A | C20 | C21 | H21 | 21.3° | 49.4° |
| H20A | C20 | C21 | H21A | 141.3° | 169.9° |
| H28 | C28 | C29 | H29 | 0.1° | 0.1° |
| H29 | C29 | C30 | H30 | 0.1° | 0.0° |
| H33 | C33 | C38 | H38 | 0.0° | 0.4° |
| H35 | C35 | C36 | H36 | 0.0° | 0.0° |
| H36 | C36 | C37 | H37 | 0.0° | 0.1° |
| H37 | C37 | C38 | H38 | 0.0° | 0.0° |
