P9U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| O1 | C1 | doub | 1.21Å | 1.26Å | |
| C1 | O4 | sing | 1.34Å | 1.24Å | |
| N1 | C10 | sing | 1.35Å | 1.32Å | |
| O2 | C19 | doub | 1.22Å | 1.22Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | O3 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | N2 | sing | 1.47Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C19 | N2 | sing | 1.35Å | 1.29Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| O4 | H10 | sing | 0.97Å | 0.95Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C7 | H13 | sing | 1.08Å | 1.08Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | O5 | sing | 1.35Å | 18.35Å | |
| O5 | C21 | sing | 1.36Å | 0.00Å | |
| C21 | C22 | sing | 1.39Å | 0.00Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 0.00Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 0.00Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 0.00Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 0.00Å | Aromatic |
| C26 | C21 | doub | 1.39Å | 0.00Å | Aromatic |
| C24 | N3 | sing | 1.40Å | 0.00Å | |
| N3 | C27 | sing | 1.35Å | 0.00Å | |
| C23 | CL1 | sing | 1.74Å | 0.00Å | |
| C27 | O6 | doub | 1.21Å | 0.00Å | |
| C27 | C28 | sing | 1.51Å | 0.00Å | |
| C28 | C29 | sing | 1.53Å | 0.00Å | |
| C28 | C30 | sing | 1.53Å | 0.00Å | |
| C30 | C31 | sing | 1.51Å | 0.00Å | |
| C29 | C32 | sing | 1.51Å | 0.00Å | |
| C32 | C33 | sing | 1.38Å | 0.00Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 0.00Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 0.00Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 0.00Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 0.00Å | Aromatic |
| C37 | C32 | doub | 1.38Å | 0.00Å | Aromatic |
| C31 | C38 | sing | 1.38Å | 0.00Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 0.00Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 0.00Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 0.00Å | Aromatic |
| C41 | C42 | sing | 1.38Å | 0.00Å | Aromatic |
| C42 | C31 | doub | 1.38Å | 0.00Å | Aromatic |
| C22 | H27 | sing | 1.08Å | 0.00Å | |
| C25 | H28 | sing | 1.08Å | 0.00Å | |
| C26 | H29 | sing | 1.08Å | 0.00Å | |
| N3 | H30 | sing | 0.97Å | 0.00Å | |
| C28 | H31 | sing | 1.09Å | 0.00Å | |
| C29 | H32 | sing | 1.09Å | 0.00Å | |
| C29 | H33 | sing | 1.09Å | 0.00Å | |
| C30 | H34 | sing | 1.09Å | 0.00Å | |
| C30 | H35 | sing | 1.09Å | 0.00Å | |
| C33 | H36 | sing | 1.08Å | 0.00Å | |
| C34 | H37 | sing | 1.08Å | 0.00Å | |
| C35 | H38 | sing | 1.08Å | 0.00Å | |
| C36 | H39 | sing | 1.08Å | 0.00Å | |
| C37 | H40 | sing | 1.08Å | 0.00Å | |
| C38 | H41 | sing | 1.08Å | 0.00Å | |
| C39 | H42 | sing | 1.08Å | 0.00Å | |
| C40 | H43 | sing | 1.08Å | 0.00Å | |
| C41 | H44 | sing | 1.08Å | 0.00Å | |
| C42 | H45 | sing | 1.08Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 121.1° | 120.0° |
| C7 | C6 | C5 | 120.5° | 120.0° |
| C7 | C6 | H4 | 119.8° | 120.0° |
| C6 | C7 | H13 | 119.4° | 120.0° |
| C7 | C8 | C9 | 119.2° | 120.0° |
| C7 | C8 | H12 | 120.4° | 120.0° |
| C8 | C7 | H13 | 119.5° | 120.0° |
| C6 | C5 | C4 | 118.1° | 120.0° |
| C6 | C5 | H3 | 121.0° | 120.0° |
| C5 | C6 | H4 | 119.7° | 120.0° |
| C8 | C9 | C4 | 120.5° | 120.0° |
| C8 | C9 | H9 | 119.7° | 120.0° |
| C9 | C8 | H12 | 120.4° | 120.0° |
| C5 | C4 | C9 | 120.7° | 120.1° |
| C5 | C4 | C3 | 119.7° | 120.0° |
| C4 | C5 | H3 | 120.9° | 120.0° |
| C9 | C4 | C3 | 119.6° | 120.0° |
| C4 | C9 | H9 | 119.8° | 120.0° |
| C4 | C3 | C2 | 114.6° | 109.5° |
| C4 | C3 | H1 | 108.2° | 109.5° |
| C4 | C3 | H2 | 108.2° | 109.5° |
| C3 | C2 | C1 | 110.2° | 109.5° |
| C3 | C2 | N1 | 110.5° | 109.4° |
| C2 | C3 | H1 | 108.2° | 109.5° |
| C2 | C3 | H2 | 108.2° | 109.5° |
| C3 | C2 | H11 | 106.6° | 109.5° |
| C1 | C2 | N1 | 114.6° | 109.4° |
| C2 | C1 | O1 | 113.7° | 120.0° |
| C2 | C1 | O4 | 118.4° | 120.0° |
| C1 | C2 | H11 | 106.8° | 109.5° |
| C2 | N1 | C10 | 119.3° | 120.0° |
| N1 | C2 | H11 | 107.8° | 109.5° |
| C2 | N1 | H14 | 120.3° | 120.0° |
| O1 | C1 | O4 | 127.7° | 120.0° |
| C1 | O4 | H10 | 109.5° | 117.0° |
| N1 | C10 | C11 | 117.3° | 120.0° |
| N1 | C10 | O3 | 122.3° | 120.0° |
| C10 | N1 | H14 | 120.3° | 120.0° |
| O2 | C19 | N2 | 122.3° | 120.0° |
| O2 | C19 | O5 | 148.3° | 119.9° |
| C11 | C10 | O3 | 120.2° | 120.0° |
| C10 | C11 | C12 | 111.7° | 109.5° |
| C10 | C11 | N2 | 109.0° | 109.5° |
| C10 | C11 | H15 | 108.0° | 109.5° |
| C12 | C11 | N2 | 111.2° | 109.5° |
| C11 | C12 | C13 | 114.8° | 109.5° |
| C11 | C12 | H7 | 108.1° | 109.5° |
| C11 | C12 | H8 | 108.1° | 109.4° |
| C12 | C11 | H15 | 108.4° | 109.4° |
| C11 | N2 | C19 | 118.4° | 120.0° |
| C11 | N2 | H5 | 120.8° | 120.0° |
| N2 | C11 | H15 | 108.5° | 109.5° |
| C12 | C13 | C14 | 109.7° | 109.5° |
| C12 | C13 | C18 | 106.4° | 109.5° |
| C12 | C13 | H6 | 109.4° | 109.5° |
| C13 | C12 | H7 | 108.1° | 109.5° |
| C13 | C12 | H8 | 108.1° | 109.5° |
| C19 | N2 | H5 | 120.8° | 120.0° |
| N2 | C19 | O5 | 86.5° | 120.0° |
| C13 | C14 | C15 | 114.0° | 109.5° |
| C14 | C13 | C18 | 112.9° | 109.5° |
| C14 | C13 | H6 | 109.2° | 109.5° |
| C13 | C14 | H25 | 108.3° | 109.5° |
| C13 | C14 | H26 | 108.3° | 109.5° |
| C14 | C15 | C16 | 105.4° | 109.4° |
| C14 | C15 | H23 | 110.5° | 109.5° |
| C14 | C15 | H24 | 110.5° | 109.4° |
| C15 | C14 | H25 | 108.3° | 109.4° |
| C15 | C14 | H26 | 108.3° | 109.4° |
| C13 | C18 | C17 | 117.5° | 109.5° |
| C18 | C13 | H6 | 109.2° | 109.4° |
| C13 | C18 | H17 | 107.4° | 109.5° |
| C13 | C18 | H18 | 107.4° | 109.5° |
| C15 | C16 | C17 | 105.5° | 109.4° |
| C15 | C16 | H21 | 110.5° | 109.5° |
| C15 | C16 | H22 | 110.5° | 109.5° |
| C16 | C15 | H23 | 110.5° | 109.5° |
| C16 | C15 | H24 | 110.5° | 109.5° |
| C16 | C17 | C18 | 115.4° | 109.5° |
| C16 | C17 | H19 | 108.0° | 109.4° |
| C16 | C17 | H20 | 108.0° | 109.5° |
| C17 | C16 | H21 | 110.5° | 109.5° |
| C17 | C16 | H22 | 110.5° | 109.5° |
| C17 | C18 | H17 | 107.4° | 109.4° |
| C17 | C18 | H18 | 107.5° | 109.5° |
| C18 | C17 | H19 | 108.0° | 109.5° |
| C18 | C17 | H20 | 108.0° | 109.5° |
| H1 | C3 | H2 | 109.4° | 109.4° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.4° |
| H21 | C16 | H22 | 109.4° | 109.5° |
| H23 | C15 | H24 | 109.5° | 109.5° |
| H25 | C14 | H26 | 109.5° | 109.5° |
| C19 | O5 | C21 | 90.0° | 117.0° |
| O5 | C21 | C22 | 90.0° | 120.0° |
| O5 | C21 | C26 | 90.0° | 120.0° |
| C21 | C22 | C23 | 90.0° | 120.0° |
| C22 | C21 | C26 | 90.0° | 120.0° |
| C21 | C22 | H27 | 90.0° | 120.0° |
| C22 | C23 | C24 | 90.0° | 120.0° |
| C22 | C23 | CL1 | 90.0° | 120.0° |
| C23 | C22 | H27 | 90.0° | 120.0° |
| C23 | C24 | C25 | 90.0° | 119.9° |
| C23 | C24 | N3 | 90.0° | 120.1° |
| C24 | C23 | CL1 | 90.0° | 120.0° |
| C24 | C25 | C26 | 90.0° | 120.0° |
| C25 | C24 | N3 | 90.0° | 120.0° |
| C24 | C25 | H28 | 90.0° | 120.0° |
| C25 | C26 | C21 | 90.0° | 120.0° |
| C26 | C25 | H28 | 90.0° | 120.0° |
| C25 | C26 | H29 | 90.0° | 120.0° |
| C21 | C26 | H29 | 90.0° | 120.0° |
| C24 | N3 | C27 | 90.0° | 120.0° |
| C24 | N3 | H30 | 90.0° | 120.0° |
| N3 | C27 | O6 | 90.0° | 120.0° |
| N3 | C27 | C28 | 90.0° | 120.0° |
| C27 | N3 | H30 | 90.0° | 120.0° |
| O6 | C27 | C28 | 90.0° | 120.0° |
| C27 | C28 | C29 | 90.0° | 109.4° |
| C27 | C28 | C30 | 90.0° | 109.5° |
| C27 | C28 | H31 | 90.0° | 109.5° |
| C29 | C28 | C30 | 90.0° | 109.5° |
| C28 | C29 | C32 | 90.0° | 109.4° |
| C29 | C28 | H31 | 90.0° | 109.5° |
| C28 | C29 | H32 | 90.0° | 109.5° |
| C28 | C29 | H33 | 90.0° | 109.5° |
| C28 | C30 | C31 | 90.0° | 109.4° |
| C30 | C28 | H31 | 90.0° | 109.5° |
| C28 | C30 | H34 | 90.0° | 109.5° |
| C28 | C30 | H35 | 90.0° | 109.5° |
| C30 | C31 | C38 | 90.0° | 120.0° |
| C30 | C31 | C42 | 90.0° | 120.0° |
| C31 | C30 | H34 | 90.0° | 109.5° |
| C31 | C30 | H35 | 90.0° | 109.5° |
| C29 | C32 | C33 | 90.0° | 120.0° |
| C29 | C32 | C37 | 90.0° | 120.0° |
| C32 | C29 | H32 | 90.0° | 109.5° |
| C32 | C29 | H33 | 90.0° | 109.5° |
| C32 | C33 | C34 | 90.0° | 120.0° |
| C33 | C32 | C37 | 90.0° | 120.0° |
| C32 | C33 | H36 | 90.0° | 120.0° |
| C33 | C34 | C35 | 90.0° | 120.0° |
| C34 | C33 | H36 | 90.0° | 120.0° |
| C33 | C34 | H37 | 90.0° | 120.0° |
| C34 | C35 | C36 | 90.0° | 120.0° |
| C35 | C34 | H37 | 90.0° | 120.0° |
| C34 | C35 | H38 | 90.0° | 120.0° |
| C35 | C36 | C37 | 90.0° | 120.0° |
| C36 | C35 | H38 | 90.0° | 120.0° |
| C35 | C36 | H39 | 90.0° | 120.1° |
| C36 | C37 | C32 | 90.0° | 120.0° |
| C37 | C36 | H39 | 90.0° | 120.0° |
| C36 | C37 | H40 | 90.0° | 120.0° |
| C32 | C37 | H40 | 90.0° | 120.0° |
| C31 | C38 | C39 | 90.0° | 120.0° |
| C38 | C31 | C42 | 90.0° | 120.0° |
| C31 | C38 | H41 | 90.0° | 120.0° |
| C38 | C39 | C40 | 90.0° | 120.0° |
| C39 | C38 | H41 | 90.0° | 120.0° |
| C38 | C39 | H42 | 90.0° | 120.0° |
| C39 | C40 | C41 | 90.0° | 120.0° |
| C40 | C39 | H42 | 90.0° | 120.0° |
| C39 | C40 | H43 | 90.0° | 120.0° |
| C40 | C41 | C42 | 90.0° | 120.0° |
| C41 | C40 | H43 | 90.0° | 119.9° |
| C40 | C41 | H44 | 90.0° | 120.0° |
| C41 | C42 | C31 | 90.0° | 120.0° |
| C42 | C41 | H44 | 90.0° | 120.0° |
| C41 | C42 | H45 | 90.0° | 120.0° |
| C31 | C42 | H45 | 90.0° | 120.0° |
| H32 | C29 | H33 | 90.0° | 109.5° |
| H34 | C30 | H35 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H13 | 180.0° | 180.0° |
| C7 | C6 | C5 | H4 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.8° | 0.2° |
| C7 | C6 | C5 | C4 | 0.9° | 0.0° |
| C7 | C6 | C5 | H3 | 179.1° | 179.8° |
| C6 | C7 | C8 | H12 | 179.2° | 179.8° |
| C8 | C7 | C6 | C5 | 1.2° | 0.0° |
| C7 | C8 | C9 | H12 | 180.0° | 179.6° |
| C7 | C8 | C9 | C4 | 0.3° | 0.5° |
| C8 | C7 | C6 | H4 | 178.8° | 180.0° |
| C7 | C8 | C9 | H9 | 179.7° | 180.0° |
| C6 | C5 | C4 | H3 | 180.0° | 179.7° |
| C6 | C5 | C4 | C9 | 0.4° | 0.3° |
| C6 | C5 | C4 | C3 | 179.2° | 179.7° |
| C5 | C6 | C7 | H13 | 178.8° | 180.0° |
| C8 | C9 | C4 | C5 | 0.0° | 0.5° |
| C8 | C9 | C4 | H9 | 180.0° | 179.5° |
| C8 | C9 | C4 | C3 | 179.6° | 179.5° |
| C9 | C8 | C7 | H13 | 179.1° | 179.7° |
| C5 | C4 | C9 | C3 | 179.6° | 180.0° |
| C5 | C4 | C3 | C2 | 102.2° | 90.0° |
| C5 | C4 | C3 | H1 | 18.6° | 30.0° |
| C5 | C4 | C3 | H2 | 137.1° | 150.0° |
| C4 | C5 | C6 | H4 | 179.1° | 180.0° |
| C5 | C4 | C9 | H9 | 180.0° | 180.0° |
| C9 | C4 | C3 | C2 | 78.2° | 90.0° |
| C9 | C4 | C3 | H1 | 161.0° | 150.0° |
| C9 | C4 | C3 | H2 | 42.5° | 30.0° |
| C9 | C4 | C5 | H3 | 179.6° | 180.0° |
| C4 | C9 | C8 | H12 | 179.7° | 180.0° |
| C4 | C3 | C2 | H1 | 120.8° | 120.0° |
| C4 | C3 | C2 | H2 | 120.8° | 120.1° |
| C4 | C3 | C2 | C1 | 63.0° | 175.0° |
| C4 | C3 | C2 | N1 | 64.6° | 65.0° |
| C4 | C3 | H1 | H2 | 117.6° | 120.0° |
| C3 | C4 | C5 | H3 | 0.8° | 0.0° |
| C3 | C4 | C9 | H9 | 0.4° | 0.1° |
| C4 | C3 | C2 | H11 | 178.5° | 55.0° |
| C3 | C2 | C1 | N1 | 125.3° | 120.0° |
| C3 | C2 | C1 | H11 | 115.4° | 120.1° |
| C3 | C2 | N1 | H11 | 116.1° | 120.0° |
| C3 | C2 | C1 | O1 | 66.6° | 119.7° |
| C3 | C2 | C1 | O4 | 117.0° | 60.1° |
| C3 | C2 | N1 | C10 | 138.8° | 155.0° |
| C2 | C3 | H1 | H2 | 117.6° | 120.0° |
| C3 | C2 | N1 | H14 | 41.2° | 25.0° |
| C1 | C2 | N1 | H11 | 118.7° | 120.0° |
| C2 | C1 | O1 | O4 | 176.0° | 179.8° |
| C1 | C2 | N1 | C10 | 96.0° | 85.0° |
| C1 | C2 | C3 | H1 | 176.3° | 64.9° |
| C1 | C2 | C3 | H2 | 57.8° | 55.0° |
| C2 | C1 | O4 | H10 | 175.9° | 179.7° |
| C1 | C2 | N1 | H14 | 83.9° | 95.0° |
| N1 | C2 | C1 | O1 | 168.1° | 0.2° |
| N1 | C2 | C1 | O4 | 8.3° | 180.0° |
| C2 | N1 | C10 | H14 | 180.0° | 180.0° |
| C2 | N1 | C10 | C11 | 172.0° | 178.1° |
| C2 | N1 | C10 | O3 | 3.4° | 1.9° |
| N1 | C2 | C3 | H1 | 56.1° | 55.0° |
| N1 | C2 | C3 | H2 | 174.6° | 174.9° |
| O1 | C1 | O4 | H10 | 0.0° | 0.1° |
| O1 | C1 | C2 | H11 | 48.8° | 120.2° |
| O4 | C1 | C2 | H11 | 127.6° | 60.0° |
| N1 | C10 | C11 | O3 | 175.5° | 180.0° |
| N1 | C10 | C11 | C12 | 76.4° | 76.2° |
| N1 | C10 | C11 | N2 | 160.3° | 163.8° |
| C10 | N1 | C2 | H11 | 22.7° | 35.0° |
| N1 | C10 | C11 | H15 | 42.6° | 43.8° |
| O2 | C19 | N2 | C11 | 2.3° | 5.0° |
| O2 | C19 | N2 | O5 | 165.9° | 180.0° |
| O2 | C19 | N2 | H5 | 177.7° | 175.0° |
| O2 | C19 | O5 | C21 | 90.0° | 5.4° |
| C10 | C11 | C12 | N2 | 122.0° | 120.0° |
| C10 | C11 | C12 | H15 | 118.8° | 120.0° |
| C10 | C11 | N2 | H15 | 117.4° | 120.0° |
| C10 | C11 | C12 | C13 | 60.0° | 66.5° |
| C10 | C11 | N2 | C19 | 79.6° | 158.3° |
| C10 | C11 | N2 | H5 | 100.4° | 21.7° |
| C10 | C11 | C12 | H7 | 60.7° | 53.6° |
| C10 | C11 | C12 | H8 | 179.2° | 173.5° |
| C11 | C10 | N1 | H14 | 8.0° | 1.9° |
| O3 | C10 | C11 | C12 | 108.1° | 103.8° |
| O3 | C10 | C11 | N2 | 15.2° | 16.2° |
| O3 | C10 | N1 | H14 | 176.6° | 178.1° |
| O3 | C10 | C11 | H15 | 132.9° | 136.2° |
| C12 | C11 | N2 | H15 | 119.1° | 120.0° |
| C11 | C12 | C13 | H7 | 120.8° | 120.0° |
| C11 | C12 | C13 | H8 | 120.8° | 120.0° |
| C12 | C11 | N2 | C19 | 156.9° | 81.6° |
| C11 | C12 | C13 | C14 | 86.9° | 69.0° |
| C11 | C12 | C13 | C18 | 150.7° | 170.9° |
| C12 | C11 | N2 | H5 | 23.1° | 98.3° |
| C11 | C12 | C13 | H6 | 32.9° | 51.0° |
| C11 | C12 | H7 | H8 | 117.6° | 119.9° |
| N2 | C11 | C12 | C13 | 62.0° | 173.5° |
| C11 | N2 | C19 | H5 | 180.0° | 180.0° |
| N2 | C11 | C12 | H7 | 177.3° | 66.4° |
| N2 | C11 | C12 | H8 | 58.8° | 53.4° |
| C11 | N2 | C19 | O5 | 163.6° | 175.0° |
| C12 | C13 | C14 | C18 | 118.5° | 120.0° |
| C12 | C13 | C14 | H6 | 119.9° | 120.0° |
| C12 | C13 | C14 | C15 | 159.7° | 180.0° |
| C12 | C13 | C18 | H6 | 117.9° | 120.0° |
| C12 | C13 | C18 | C17 | 145.1° | 180.0° |
| C13 | C12 | H7 | H8 | 117.6° | 120.0° |
| C13 | C12 | C11 | H15 | 178.9° | 53.5° |
| C12 | C13 | C18 | H17 | 24.0° | 60.1° |
| C12 | C13 | C18 | H18 | 93.8° | 60.0° |
| C12 | C13 | C14 | H25 | 79.6° | 60.0° |
| C12 | C13 | C14 | H26 | 39.1° | 60.1° |
| C19 | N2 | C11 | H15 | 37.8° | 38.3° |
| N2 | C19 | O5 | C21 | 90.0° | 174.7° |
| C13 | C14 | C15 | H25 | 120.7° | 120.0° |
| C13 | C14 | C15 | H26 | 120.7° | 120.0° |
| C14 | C13 | C18 | H6 | 121.7° | 120.0° |
| C13 | C14 | C15 | C16 | 65.8° | 60.0° |
| C14 | C13 | C18 | C17 | 24.7° | 60.0° |
| C14 | C13 | C12 | H7 | 33.9° | 170.9° |
| C14 | C13 | C12 | H8 | 152.4° | 51.0° |
| C14 | C13 | C18 | H17 | 96.4° | 60.0° |
| C14 | C13 | C18 | H18 | 145.8° | 180.0° |
| C13 | C14 | C15 | H23 | 53.5° | 180.0° |
| C13 | C14 | C15 | H24 | 174.8° | 60.0° |
| C13 | C14 | H25 | H26 | 118.0° | 120.1° |
| C15 | C14 | C13 | C18 | 41.3° | 60.0° |
| C14 | C15 | C16 | H23 | 119.3° | 120.0° |
| C14 | C15 | C16 | H24 | 119.4° | 120.0° |
| C14 | C15 | C16 | C17 | 70.3° | 60.0° |
| C15 | C14 | C13 | H6 | 80.4° | 60.0° |
| C14 | C15 | C16 | H21 | 170.3° | 60.0° |
| C14 | C15 | C16 | H22 | 49.1° | 180.0° |
| C14 | C15 | H23 | H24 | 121.9° | 120.0° |
| C15 | C14 | H25 | H26 | 117.9° | 119.9° |
| C13 | C18 | C17 | C16 | 34.1° | 60.0° |
| C13 | C18 | C17 | H17 | 121.1° | 119.9° |
| C13 | C18 | C17 | H18 | 121.1° | 120.0° |
| C18 | C13 | C12 | H7 | 88.5° | 50.9° |
| C18 | C13 | C12 | H8 | 29.9° | 69.0° |
| C13 | C18 | H17 | H18 | 116.4° | 120.0° |
| C13 | C18 | C17 | H19 | 86.8° | 180.0° |
| C13 | C18 | C17 | H20 | 154.9° | 60.0° |
| C18 | C13 | C14 | H25 | 161.9° | 180.0° |
| C18 | C13 | C14 | H26 | 79.4° | 60.0° |
| C15 | C16 | C17 | H21 | 119.4° | 120.0° |
| C15 | C16 | C17 | H22 | 119.4° | 120.0° |
| C15 | C16 | C17 | C18 | 56.7° | 60.0° |
| C15 | C16 | C17 | H19 | 64.1° | 179.9° |
| C15 | C16 | C17 | H20 | 177.6° | 60.0° |
| C15 | C16 | H21 | H22 | 121.8° | 120.0° |
| C16 | C15 | H23 | H24 | 121.9° | 120.1° |
| C16 | C15 | C14 | H25 | 173.5° | 180.0° |
| C16 | C15 | C14 | H26 | 54.9° | 60.0° |
| C16 | C17 | C18 | H19 | 120.9° | 120.0° |
| C16 | C17 | C18 | H20 | 120.9° | 120.0° |
| C16 | C17 | C18 | H17 | 87.1° | 59.9° |
| C16 | C17 | C18 | H18 | 155.2° | 180.0° |
| C16 | C17 | H19 | H20 | 117.3° | 120.0° |
| C17 | C16 | H21 | H22 | 121.9° | 120.0° |
| C17 | C16 | C15 | H23 | 49.1° | 180.0° |
| C17 | C16 | C15 | H24 | 170.3° | 59.9° |
| C17 | C18 | C13 | H6 | 97.0° | 60.0° |
| C17 | C18 | H17 | H18 | 116.4° | 120.0° |
| C18 | C17 | H19 | H20 | 117.3° | 120.0° |
| C18 | C17 | C16 | H21 | 176.1° | 60.0° |
| C18 | C17 | C16 | H22 | 62.7° | 180.0° |
| H1 | C3 | C2 | H11 | 60.7° | 175.0° |
| H2 | C3 | C2 | H11 | 57.7° | 65.1° |
| H3 | C5 | C6 | H4 | 0.9° | 0.3° |
| H4 | C6 | C7 | H13 | 1.2° | 0.0° |
| H5 | N2 | C11 | H15 | 142.3° | 141.7° |
| H5 | N2 | C19 | O5 | 16.4° | 5.0° |
| H6 | C13 | C12 | H7 | 153.7° | 69.1° |
| H6 | C13 | C12 | H8 | 87.9° | 171.0° |
| H6 | C13 | C18 | H17 | 141.9° | 179.9° |
| H6 | C13 | C18 | H18 | 24.2° | 60.0° |
| H6 | C13 | C14 | H25 | 40.3° | 60.0° |
| H6 | C13 | C14 | H26 | 158.9° | 179.9° |
| H7 | C12 | C11 | H15 | 58.1° | 173.6° |
| H8 | C12 | C11 | H15 | 60.4° | 66.6° |
| H9 | C9 | C8 | H12 | 0.3° | 0.4° |
| H11 | C2 | N1 | H14 | 157.3° | 145.0° |
| H12 | C8 | C7 | H13 | 0.9° | 0.2° |
| H17 | C18 | C17 | H19 | 152.1° | 60.1° |
| H17 | C18 | C17 | H20 | 33.8° | 180.0° |
| H18 | C18 | C17 | H19 | 34.4° | 60.0° |
| H18 | C18 | C17 | H20 | 83.9° | 60.0° |
| H19 | C17 | C16 | H21 | 55.2° | 60.1° |
| H19 | C17 | C16 | H22 | 176.5° | 60.0° |
| H20 | C17 | C16 | H21 | 63.0° | 180.0° |
| H20 | C17 | C16 | H22 | 58.2° | 60.0° |
| H21 | C16 | C15 | H23 | 70.3° | 60.0° |
| H21 | C16 | C15 | H24 | 51.0° | 179.9° |
| H22 | C16 | C15 | H23 | 168.5° | 60.0° |
| H22 | C16 | C15 | H24 | 70.3° | 60.0° |
| H23 | C15 | C14 | H25 | 67.2° | 60.0° |
| H23 | C15 | C14 | H26 | 174.2° | 60.0° |
| H24 | C15 | C14 | H25 | 54.1° | 60.0° |
| H24 | C15 | C14 | H26 | 64.5° | 180.0° |
| C19 | O5 | C21 | C22 | 90.0° | 75.8° |
| C19 | O5 | C21 | C26 | 90.0° | 104.5° |
| O5 | C21 | C22 | C26 | 90.0° | 179.7° |
| O5 | C21 | C22 | C23 | 90.0° | 180.0° |
| O5 | C21 | C26 | C25 | 90.0° | 179.7° |
| O5 | C21 | C22 | H27 | 90.0° | 0.0° |
| O5 | C21 | C26 | H29 | 90.0° | 0.3° |
| C21 | C22 | C23 | H27 | 90.0° | 180.0° |
| C21 | C22 | C23 | C24 | 90.0° | 0.0° |
| C22 | C21 | C26 | C25 | 90.0° | 0.6° |
| C21 | C22 | C23 | CL1 | 90.0° | 180.0° |
| C22 | C21 | C26 | H29 | 90.0° | 180.0° |
| C22 | C23 | C24 | CL1 | 90.0° | 180.0° |
| C22 | C23 | C24 | C25 | 90.0° | 0.0° |
| C23 | C22 | C21 | C26 | 90.0° | 0.3° |
| C22 | C23 | C24 | N3 | 90.0° | 180.0° |
| C23 | C24 | C25 | N3 | 90.0° | 180.0° |
| C23 | C24 | C25 | C26 | 90.0° | 0.3° |
| C23 | C24 | N3 | C27 | 90.0° | 170.0° |
| C24 | C23 | C22 | H27 | 90.0° | 180.0° |
| C23 | C24 | C25 | H28 | 90.0° | 180.0° |
| C23 | C24 | N3 | H30 | 90.0° | 10.0° |
| C24 | C25 | C26 | H28 | 90.0° | 179.7° |
| C24 | C25 | C26 | C21 | 90.0° | 0.6° |
| C25 | C24 | N3 | C27 | 90.0° | 10.0° |
| C25 | C24 | C23 | CL1 | 90.0° | 180.0° |
| C24 | C25 | C26 | H29 | 90.0° | 180.0° |
| C25 | C24 | N3 | H30 | 90.0° | 170.0° |
| C25 | C26 | C21 | H29 | 90.0° | 179.3° |
| C26 | C25 | C24 | N3 | 90.0° | 179.7° |
| C26 | C21 | C22 | H27 | 90.0° | 179.7° |
| C21 | C26 | C25 | H28 | 90.0° | 179.7° |
| C24 | N3 | C27 | H30 | 90.0° | 180.0° |
| N3 | C24 | C23 | CL1 | 90.0° | 0.0° |
| C24 | N3 | C27 | O6 | 90.0° | 5.7° |
| C24 | N3 | C27 | C28 | 90.0° | 174.4° |
| N3 | C24 | C25 | H28 | 90.0° | 0.1° |
| N3 | C27 | O6 | C28 | 90.0° | 179.9° |
| N3 | C27 | C28 | C29 | 90.0° | 159.8° |
| N3 | C27 | C28 | C30 | 90.0° | 80.3° |
| N3 | C27 | C28 | H31 | 90.0° | 39.8° |
| CL1 | C23 | C22 | H27 | 90.0° | 0.0° |
| O6 | C27 | C28 | C29 | 90.0° | 20.3° |
| O6 | C27 | C28 | C30 | 90.0° | 99.7° |
| O6 | C27 | N3 | H30 | 90.0° | 174.3° |
| O6 | C27 | C28 | H31 | 90.0° | 140.3° |
| C27 | C28 | C29 | C30 | 90.0° | 120.0° |
| C27 | C28 | C29 | H31 | 90.0° | 120.0° |
| C27 | C28 | C30 | H31 | 90.0° | 120.0° |
| C27 | C28 | C30 | C31 | 90.0° | 68.2° |
| C27 | C28 | C29 | C32 | 90.0° | 175.0° |
| C28 | C27 | N3 | H30 | 90.0° | 5.6° |
| C27 | C28 | C29 | H32 | 90.0° | 55.0° |
| C27 | C28 | C29 | H33 | 90.0° | 65.1° |
| C27 | C28 | C30 | H34 | 90.0° | 171.8° |
| C27 | C28 | C30 | H35 | 90.0° | 51.8° |
| C29 | C28 | C30 | H31 | 90.0° | 120.0° |
| C29 | C28 | C30 | C31 | 90.0° | 171.8° |
| C28 | C29 | C32 | H32 | 90.0° | 120.0° |
| C28 | C29 | C32 | H33 | 90.0° | 120.0° |
| C28 | C29 | C32 | C33 | 90.0° | 90.0° |
| C28 | C29 | C32 | C37 | 90.0° | 90.3° |
| C28 | C29 | H32 | H33 | 90.0° | 120.0° |
| C29 | C28 | C30 | H34 | 90.0° | 51.8° |
| C29 | C28 | C30 | H35 | 90.0° | 68.2° |
| C28 | C30 | C31 | H34 | 90.0° | 120.0° |
| C28 | C30 | C31 | H35 | 90.0° | 120.0° |
| C30 | C28 | C29 | C32 | 90.0° | 65.0° |
| C28 | C30 | C31 | C38 | 90.0° | 83.0° |
| C28 | C30 | C31 | C42 | 90.0° | 97.3° |
| C30 | C28 | C29 | H32 | 90.0° | 175.0° |
| C30 | C28 | C29 | H33 | 90.0° | 54.9° |
| C28 | C30 | H34 | H35 | 90.0° | 120.0° |
| C30 | C31 | C38 | C42 | 90.0° | 179.8° |
| C30 | C31 | C38 | C39 | 90.0° | 180.0° |
| C30 | C31 | C42 | C41 | 90.0° | 179.8° |
| C31 | C30 | C28 | H31 | 90.0° | 51.8° |
| C31 | C30 | H34 | H35 | 90.0° | 120.0° |
| C30 | C31 | C38 | H41 | 90.0° | 0.0° |
| C30 | C31 | C42 | H45 | 90.0° | 0.2° |
| C29 | C32 | C33 | C37 | 90.0° | 179.6° |
| C29 | C32 | C33 | C34 | 90.0° | 180.0° |
| C29 | C32 | C37 | C36 | 90.0° | 179.8° |
| C32 | C29 | C28 | H31 | 90.0° | 55.0° |
| C32 | C29 | H32 | H33 | 90.0° | 120.0° |
| C29 | C32 | C33 | H36 | 90.0° | 0.1° |
| C29 | C32 | C37 | H40 | 90.0° | 0.3° |
| C32 | C33 | C34 | H36 | 90.0° | 179.9° |
| C32 | C33 | C34 | C35 | 90.0° | 0.1° |
| C33 | C32 | C37 | C36 | 90.0° | 0.5° |
| C33 | C32 | C29 | H32 | 90.0° | 29.9° |
| C33 | C32 | C29 | H33 | 90.0° | 150.0° |
| C32 | C33 | C34 | H37 | 90.0° | 179.9° |
| C33 | C32 | C37 | H40 | 90.0° | 179.9° |
| C33 | C34 | C35 | H37 | 90.0° | 179.9° |
| C33 | C34 | C35 | C36 | 90.0° | 0.0° |
| C34 | C33 | C32 | C37 | 90.0° | 0.3° |
| C33 | C34 | C35 | H38 | 90.0° | 180.0° |
| C34 | C35 | C36 | H38 | 90.0° | 180.0° |
| C34 | C35 | C36 | C37 | 90.0° | 0.1° |
| C35 | C34 | C33 | H36 | 90.0° | 180.0° |
| C34 | C35 | C36 | H39 | 90.0° | 179.9° |
| C35 | C36 | C37 | H39 | 90.0° | 179.9° |
| C35 | C36 | C37 | C32 | 90.0° | 0.4° |
| C36 | C35 | C34 | H37 | 90.0° | 180.0° |
| C35 | C36 | C37 | H40 | 90.0° | 180.0° |
| C36 | C37 | C32 | H40 | 90.0° | 179.5° |
| C37 | C36 | C35 | H38 | 90.0° | 179.9° |
| C37 | C32 | C29 | H32 | 90.0° | 149.7° |
| C37 | C32 | C29 | H33 | 90.0° | 29.7° |
| C37 | C32 | C33 | H36 | 90.0° | 179.7° |
| C32 | C37 | C36 | H39 | 90.0° | 179.6° |
| C31 | C38 | C39 | H41 | 90.0° | 180.0° |
| C31 | C38 | C39 | C40 | 90.0° | 0.1° |
| C38 | C31 | C42 | C41 | 90.0° | 0.4° |
| C38 | C31 | C30 | H34 | 90.0° | 37.0° |
| C38 | C31 | C30 | H35 | 90.0° | 157.0° |
| C31 | C38 | C39 | H42 | 90.0° | 180.0° |
| C38 | C31 | C42 | H45 | 90.0° | 179.9° |
| C38 | C39 | C40 | H42 | 90.0° | 179.9° |
| C38 | C39 | C40 | C41 | 90.0° | 0.0° |
| C39 | C38 | C31 | C42 | 90.0° | 0.3° |
| C38 | C39 | C40 | H43 | 90.0° | 179.9° |
| C39 | C40 | C41 | H43 | 90.0° | 179.9° |
| C39 | C40 | C41 | C42 | 90.0° | 0.2° |
| C40 | C39 | C38 | H41 | 90.0° | 180.0° |
| C39 | C40 | C41 | H44 | 90.0° | 179.9° |
| C40 | C41 | C42 | H44 | 90.0° | 179.9° |
| C40 | C41 | C42 | C31 | 90.0° | 0.4° |
| C41 | C40 | C39 | H42 | 90.0° | 180.0° |
| C40 | C41 | C42 | H45 | 90.0° | 180.0° |
| C41 | C42 | C31 | H45 | 90.0° | 179.6° |
| C42 | C41 | C40 | H43 | 90.0° | 179.9° |
| C42 | C31 | C30 | H34 | 90.0° | 142.7° |
| C42 | C31 | C30 | H35 | 90.0° | 22.7° |
| C42 | C31 | C38 | H41 | 90.0° | 179.8° |
| C31 | C42 | C41 | H44 | 90.0° | 179.7° |
| H28 | C25 | C26 | H29 | 90.0° | 0.4° |
| H31 | C28 | C29 | H32 | 90.0° | 65.0° |
| H31 | C28 | C29 | H33 | 90.0° | 175.0° |
| H31 | C28 | C30 | H34 | 90.0° | 68.2° |
| H31 | C28 | C30 | H35 | 90.0° | 171.8° |
| H36 | C33 | C34 | H37 | 90.0° | 0.0° |
| H37 | C34 | C35 | H38 | 90.0° | 0.0° |
| H38 | C35 | C36 | H39 | 90.0° | 0.1° |
| H39 | C36 | C37 | H40 | 90.0° | 0.1° |
| H41 | C38 | C39 | H42 | 90.0° | 0.0° |
| H42 | C39 | C40 | H43 | 90.0° | 0.1° |
| H43 | C40 | C41 | H44 | 90.0° | 0.0° |
| H44 | C41 | C42 | H45 | 90.0° | 0.1° |
