A8R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | C20 | sing | 1.53Å | 0.00Å | |
| C20 | O19 | sing | 1.43Å | 0.00Å | |
| C20 | C21 | sing | 1.51Å | 0.00Å | |
| O19 | C17 | sing | 1.36Å | 0.00Å | |
| C11 | C08 | sing | 1.51Å | 0.00Å | |
| C18 | C17 | doub | 1.39Å | 0.00Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 0.00Å | Aromatic |
| C21 | O23 | doub | 1.21Å | 0.00Å | |
| C21 | O22 | sing | 1.34Å | 0.00Å | |
| C17 | C16 | sing | 1.39Å | 0.00Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 0.00Å | |
| C12 | N07 | sing | 1.47Å | 0.00Å | |
| C13 | C14 | doub | 1.38Å | 0.00Å | Aromatic |
| C16 | CL40 | sing | 1.74Å | 0.00Å | |
| C16 | C15 | doub | 1.38Å | 0.00Å | Aromatic |
| C08 | N07 | sing | 1.37Å | 0.00Å | Aromatic |
| C08 | C09 | doub | 1.34Å | 0.00Å | Aromatic |
| N07 | C04 | sing | 1.37Å | 0.00Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 0.00Å | Aromatic |
| C09 | C10 | sing | 1.51Å | 0.00Å | |
| C09 | C05 | sing | 1.47Å | 0.00Å | Aromatic |
| C04 | C05 | doub | 1.41Å | 0.00Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 0.00Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 0.00Å | Aromatic |
| C03 | C02 | doub | 1.36Å | 0.00Å | Aromatic |
| C06 | C01 | doub | 1.39Å | 0.00Å | Aromatic |
| C02 | C01 | sing | 1.40Å | 0.00Å | Aromatic |
| C01 | C24 | sing | 1.48Å | 0.00Å | |
| C24 | N26 | sing | 1.35Å | 0.00Å | |
| C24 | O25 | doub | 1.21Å | 0.00Å | |
| N26 | C27 | sing | 1.47Å | 0.00Å | |
| C27 | C34 | sing | 1.53Å | 0.00Å | |
| C27 | C28 | sing | 1.51Å | 0.00Å | |
| C29 | C28 | doub | 1.38Å | 0.00Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 0.00Å | Aromatic |
| C28 | C33 | sing | 1.38Å | 0.00Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 0.00Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 0.00Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 0.00Å | Aromatic |
| C31 | C35 | sing | 1.51Å | 0.00Å | |
| C38 | C35 | sing | 1.53Å | 0.00Å | |
| C35 | C36 | sing | 1.53Å | 0.00Å | |
| C35 | C37 | sing | 1.53Å | 0.00Å | |
| C10 | H1 | sing | 1.09Å | 0.00Å | |
| C10 | H2 | sing | 1.09Å | 0.00Å | |
| C10 | H3 | sing | 1.09Å | 0.00Å | |
| C15 | H4 | sing | 1.08Å | 0.00Å | |
| C20 | H5 | sing | 1.09Å | 0.00Å | |
| C02 | H6 | sing | 1.08Å | 0.00Å | |
| C03 | H7 | sing | 1.08Å | 0.00Å | |
| C06 | H8 | sing | 1.08Å | 0.00Å | |
| C11 | H9 | sing | 1.09Å | 0.00Å | |
| C11 | H10 | sing | 1.09Å | 0.00Å | |
| C11 | H11 | sing | 1.09Å | 0.00Å | |
| C12 | H12 | sing | 1.09Å | 0.00Å | |
| C12 | H13 | sing | 1.09Å | 0.00Å | |
| C14 | H14 | sing | 1.08Å | 0.00Å | |
| C18 | H15 | sing | 1.08Å | 0.00Å | |
| C27 | H16 | sing | 1.09Å | 0.00Å | |
| C29 | H17 | sing | 1.08Å | 0.00Å | |
| C30 | H18 | sing | 1.08Å | 0.00Å | |
| C32 | H19 | sing | 1.08Å | 0.00Å | |
| C33 | H20 | sing | 1.08Å | 0.00Å | |
| C34 | H21 | sing | 1.09Å | 0.00Å | |
| C34 | H22 | sing | 1.09Å | 0.00Å | |
| C34 | H23 | sing | 1.09Å | 0.00Å | |
| C36 | H24 | sing | 1.09Å | 0.00Å | |
| C36 | H25 | sing | 1.09Å | 0.00Å | |
| C36 | H26 | sing | 1.09Å | 0.00Å | |
| C37 | H27 | sing | 1.09Å | 0.00Å | |
| C37 | H28 | sing | 1.09Å | 0.00Å | |
| C37 | H29 | sing | 1.09Å | 0.00Å | |
| C38 | H30 | sing | 1.09Å | 0.00Å | |
| C38 | H31 | sing | 1.09Å | 0.00Å | |
| C38 | H32 | sing | 1.09Å | 0.00Å | |
| C39 | H33 | sing | 1.09Å | 0.00Å | |
| C39 | H34 | sing | 1.09Å | 0.00Å | |
| C39 | H35 | sing | 1.09Å | 0.00Å | |
| N26 | H36 | sing | 0.97Å | 0.00Å | |
| O22 | H37 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | C20 | O19 | 90.0° | 109.5° |
| C39 | C20 | C21 | 90.0° | 109.5° |
| C39 | C20 | H5 | 90.0° | 109.5° |
| C20 | C39 | H33 | 90.0° | 109.5° |
| C20 | C39 | H34 | 90.0° | 109.5° |
| C20 | C39 | H35 | 90.0° | 109.5° |
| O19 | C20 | C21 | 90.0° | 109.4° |
| C20 | O19 | C17 | 90.0° | 117.0° |
| O19 | C20 | H5 | 90.0° | 109.5° |
| C20 | C21 | O23 | 90.0° | 120.0° |
| C20 | C21 | O22 | 90.0° | 120.0° |
| C21 | C20 | H5 | 90.0° | 109.5° |
| O19 | C17 | C18 | 90.0° | 120.1° |
| O19 | C17 | C16 | 90.0° | 120.1° |
| C11 | C08 | N07 | 90.0° | 125.0° |
| C11 | C08 | C09 | 90.0° | 125.0° |
| C08 | C11 | H9 | 90.0° | 109.5° |
| C08 | C11 | H10 | 90.0° | 109.5° |
| C08 | C11 | H11 | 90.0° | 109.5° |
| C17 | C18 | C13 | 90.0° | 119.9° |
| C18 | C17 | C16 | 90.0° | 119.8° |
| C17 | C18 | H15 | 90.0° | 120.0° |
| C18 | C13 | C12 | 90.0° | 119.9° |
| C18 | C13 | C14 | 90.0° | 120.1° |
| C13 | C18 | H15 | 90.0° | 120.1° |
| O23 | C21 | O22 | 90.0° | 120.0° |
| C21 | O22 | H37 | 90.0° | 117.0° |
| C17 | C16 | CL40 | 90.0° | 120.0° |
| C17 | C16 | C15 | 90.0° | 120.0° |
| C13 | C12 | N07 | 90.0° | 109.4° |
| C12 | C13 | C14 | 90.0° | 119.9° |
| C13 | C12 | H12 | 90.0° | 109.5° |
| C13 | C12 | H13 | 90.0° | 109.5° |
| C12 | N07 | C08 | 90.0° | 125.0° |
| C12 | N07 | C04 | 90.0° | 125.0° |
| N07 | C12 | H12 | 90.0° | 109.5° |
| N07 | C12 | H13 | 90.0° | 109.5° |
| C13 | C14 | C15 | 90.0° | 120.1° |
| C13 | C14 | H14 | 90.0° | 120.0° |
| CL40 | C16 | C15 | 90.0° | 120.0° |
| C16 | C15 | C14 | 90.0° | 120.1° |
| C16 | C15 | H4 | 90.0° | 120.0° |
| N07 | C08 | C09 | 90.0° | 110.0° |
| C08 | N07 | C04 | 90.0° | 110.0° |
| C08 | C09 | C10 | 90.0° | 126.5° |
| C08 | C09 | C05 | 90.0° | 106.9° |
| N07 | C04 | C05 | 90.0° | 107.1° |
| N07 | C04 | C03 | 90.0° | 133.3° |
| C14 | C15 | H4 | 90.0° | 120.0° |
| C15 | C14 | H14 | 90.0° | 119.9° |
| C10 | C09 | C05 | 90.0° | 126.5° |
| C09 | C10 | H1 | 90.0° | 109.4° |
| C09 | C10 | H2 | 90.0° | 109.5° |
| C09 | C10 | H3 | 90.0° | 109.5° |
| C09 | C05 | C04 | 90.0° | 106.0° |
| C09 | C05 | C06 | 90.0° | 133.9° |
| C05 | C04 | C03 | 90.0° | 119.6° |
| C04 | C05 | C06 | 90.0° | 120.0° |
| C04 | C03 | C02 | 90.0° | 120.2° |
| C04 | C03 | H7 | 90.0° | 119.9° |
| C05 | C06 | C01 | 90.0° | 119.4° |
| C05 | C06 | H8 | 90.0° | 120.3° |
| C03 | C02 | C01 | 90.0° | 120.7° |
| C03 | C02 | H6 | 90.0° | 119.7° |
| C02 | C03 | H7 | 90.0° | 119.9° |
| C06 | C01 | C02 | 90.0° | 120.1° |
| C06 | C01 | C24 | 90.0° | 119.9° |
| C01 | C06 | H8 | 90.0° | 120.3° |
| C02 | C01 | C24 | 90.0° | 120.0° |
| C01 | C02 | H6 | 90.0° | 119.6° |
| C01 | C24 | N26 | 90.0° | 119.9° |
| C01 | C24 | O25 | 90.0° | 120.0° |
| N26 | C24 | O25 | 90.0° | 120.0° |
| C24 | N26 | C27 | 90.0° | 120.0° |
| C24 | N26 | H36 | 90.0° | 120.1° |
| N26 | C27 | C34 | 90.0° | 109.4° |
| N26 | C27 | C28 | 90.0° | 109.5° |
| N26 | C27 | H16 | 90.0° | 109.5° |
| C27 | N26 | H36 | 90.0° | 120.0° |
| C34 | C27 | C28 | 90.0° | 109.5° |
| C34 | C27 | H16 | 90.0° | 109.5° |
| C27 | C34 | H21 | 90.0° | 109.5° |
| C27 | C34 | H22 | 90.0° | 109.5° |
| C27 | C34 | H23 | 90.0° | 109.5° |
| C27 | C28 | C29 | 90.0° | 120.0° |
| C27 | C28 | C33 | 90.0° | 120.0° |
| C28 | C27 | H16 | 90.0° | 109.5° |
| C28 | C29 | C30 | 90.0° | 120.0° |
| C29 | C28 | C33 | 90.0° | 120.0° |
| C28 | C29 | H17 | 90.0° | 120.0° |
| C29 | C30 | C31 | 90.0° | 120.0° |
| C30 | C29 | H17 | 90.0° | 120.0° |
| C29 | C30 | H18 | 90.0° | 120.0° |
| C28 | C33 | C32 | 90.0° | 120.0° |
| C28 | C33 | H20 | 90.0° | 120.0° |
| C30 | C31 | C32 | 90.0° | 120.0° |
| C30 | C31 | C35 | 90.0° | 120.0° |
| C31 | C30 | H18 | 90.0° | 120.0° |
| C33 | C32 | C31 | 90.0° | 120.0° |
| C33 | C32 | H19 | 90.0° | 120.0° |
| C32 | C33 | H20 | 90.0° | 120.0° |
| C32 | C31 | C35 | 90.0° | 120.0° |
| C31 | C32 | H19 | 90.0° | 120.0° |
| C31 | C35 | C38 | 90.0° | 109.4° |
| C31 | C35 | C36 | 90.0° | 109.5° |
| C31 | C35 | C37 | 90.0° | 109.5° |
| C38 | C35 | C36 | 90.0° | 109.5° |
| C38 | C35 | C37 | 90.0° | 109.5° |
| C35 | C38 | H30 | 90.0° | 109.5° |
| C35 | C38 | H31 | 90.0° | 109.4° |
| C35 | C38 | H32 | 90.0° | 109.5° |
| C36 | C35 | C37 | 90.0° | 109.5° |
| C35 | C36 | H24 | 90.0° | 109.5° |
| C35 | C36 | H25 | 90.0° | 109.5° |
| C35 | C36 | H26 | 90.0° | 109.5° |
| C35 | C37 | H27 | 90.0° | 109.5° |
| C35 | C37 | H28 | 90.0° | 109.5° |
| C35 | C37 | H29 | 90.0° | 109.5° |
| H1 | C10 | H2 | 90.0° | 109.5° |
| H1 | C10 | H3 | 90.0° | 109.4° |
| H2 | C10 | H3 | 90.0° | 109.5° |
| H9 | C11 | H10 | 90.0° | 109.4° |
| H9 | C11 | H11 | 90.0° | 109.5° |
| H10 | C11 | H11 | 90.0° | 109.5° |
| H12 | C12 | H13 | 90.0° | 109.5° |
| H21 | C34 | H22 | 90.0° | 109.5° |
| H21 | C34 | H23 | 90.0° | 109.5° |
| H22 | C34 | H23 | 90.0° | 109.4° |
| H24 | C36 | H25 | 90.0° | 109.4° |
| H24 | C36 | H26 | 90.0° | 109.4° |
| H25 | C36 | H26 | 90.0° | 109.5° |
| H27 | C37 | H28 | 90.0° | 109.5° |
| H27 | C37 | H29 | 90.0° | 109.5° |
| H28 | C37 | H29 | 90.0° | 109.5° |
| H30 | C38 | H31 | 90.0° | 109.5° |
| H30 | C38 | H32 | 90.0° | 109.5° |
| H31 | C38 | H32 | 90.0° | 109.4° |
| H33 | C39 | H34 | 90.0° | 109.5° |
| H33 | C39 | H35 | 90.0° | 109.4° |
| H34 | C39 | H35 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | C20 | O19 | C21 | 90.0° | 120.0° |
| C39 | C20 | O19 | H5 | 90.0° | 120.0° |
| C39 | C20 | C21 | H5 | 90.0° | 120.0° |
| C39 | C20 | O19 | C17 | 90.0° | 85.3° |
| C39 | C20 | C21 | O23 | 90.0° | 120.0° |
| C39 | C20 | C21 | O22 | 90.0° | 60.0° |
| C20 | C39 | H33 | H34 | 90.0° | 120.0° |
| C20 | C39 | H33 | H35 | 90.0° | 120.0° |
| C20 | C39 | H34 | H35 | 90.0° | 120.0° |
| O19 | C20 | C21 | H5 | 90.0° | 120.0° |
| C20 | O19 | C17 | C18 | 90.0° | 5.4° |
| O19 | C20 | C21 | O23 | 90.0° | 0.0° |
| O19 | C20 | C21 | O22 | 90.0° | 180.0° |
| C20 | O19 | C17 | C16 | 90.0° | 175.4° |
| O19 | C20 | C39 | H33 | 90.0° | 180.0° |
| O19 | C20 | C39 | H34 | 90.0° | 60.0° |
| O19 | C20 | C39 | H35 | 90.0° | 60.0° |
| C21 | C20 | O19 | C17 | 90.0° | 154.7° |
| C20 | C21 | O23 | O22 | 90.0° | 180.0° |
| C21 | C20 | C39 | H33 | 90.0° | 60.0° |
| C21 | C20 | C39 | H34 | 90.0° | 180.0° |
| C21 | C20 | C39 | H35 | 90.0° | 60.0° |
| C20 | C21 | O22 | H37 | 90.0° | 180.0° |
| O19 | C17 | C18 | C16 | 90.0° | 179.2° |
| O19 | C17 | C18 | C13 | 90.0° | 179.7° |
| O19 | C17 | C16 | CL40 | 90.0° | 0.8° |
| O19 | C17 | C16 | C15 | 90.0° | 180.0° |
| C17 | O19 | C20 | H5 | 90.0° | 34.7° |
| O19 | C17 | C18 | H15 | 90.0° | 0.3° |
| C11 | C08 | N07 | C12 | 90.0° | 0.0° |
| C11 | C08 | N07 | C09 | 90.0° | 180.0° |
| C11 | C08 | N07 | C04 | 90.0° | 179.6° |
| C11 | C08 | C09 | C10 | 90.0° | 0.0° |
| C11 | C08 | C09 | C05 | 90.0° | 179.8° |
| C08 | C11 | H9 | H10 | 90.0° | 120.0° |
| C08 | C11 | H9 | H11 | 90.0° | 120.0° |
| C08 | C11 | H10 | H11 | 90.0° | 120.0° |
| C17 | C18 | C13 | H15 | 90.0° | 180.0° |
| C17 | C18 | C13 | C12 | 90.0° | 179.7° |
| C17 | C18 | C13 | C14 | 90.0° | 0.0° |
| C18 | C17 | C16 | CL40 | 90.0° | 180.0° |
| C18 | C17 | C16 | C15 | 90.0° | 0.8° |
| C13 | C18 | C17 | C16 | 90.0° | 0.5° |
| C18 | C13 | C12 | C14 | 90.0° | 179.7° |
| C18 | C13 | C12 | N07 | 90.0° | 90.3° |
| C18 | C13 | C14 | C15 | 90.0° | 0.3° |
| C18 | C13 | C12 | H12 | 90.0° | 29.7° |
| C18 | C13 | C12 | H13 | 90.0° | 149.7° |
| C18 | C13 | C14 | H14 | 90.0° | 179.7° |
| O23 | C21 | C20 | H5 | 90.0° | 120.0° |
| O23 | C21 | O22 | H37 | 90.0° | 0.0° |
| O22 | C21 | C20 | H5 | 90.0° | 60.0° |
| C17 | C16 | CL40 | C15 | 90.0° | 179.2° |
| C17 | C16 | C15 | C14 | 90.0° | 0.5° |
| C17 | C16 | C15 | H4 | 90.0° | 179.5° |
| C16 | C17 | C18 | H15 | 90.0° | 179.5° |
| C13 | C12 | N07 | H12 | 90.0° | 120.0° |
| C13 | C12 | N07 | H13 | 90.0° | 120.0° |
| C13 | C12 | N07 | C08 | 90.0° | 90.0° |
| C13 | C12 | N07 | C04 | 90.0° | 90.6° |
| C12 | C13 | C14 | C15 | 90.0° | 180.0° |
| C13 | C12 | H12 | H13 | 90.0° | 120.0° |
| C12 | C13 | C14 | H14 | 90.0° | 0.1° |
| C12 | C13 | C18 | H15 | 90.0° | 0.3° |
| N07 | C12 | C13 | C14 | 90.0° | 90.0° |
| C12 | N07 | C08 | C04 | 90.0° | 179.5° |
| C12 | N07 | C08 | C09 | 90.0° | 180.0° |
| C12 | N07 | C04 | C05 | 90.0° | 180.0° |
| C12 | N07 | C04 | C03 | 90.0° | 0.3° |
| N07 | C12 | H12 | H13 | 90.0° | 120.0° |
| C13 | C14 | C15 | C16 | 90.0° | 0.0° |
| C13 | C14 | C15 | H14 | 90.0° | 180.0° |
| C13 | C14 | C15 | H4 | 90.0° | 179.9° |
| C14 | C13 | C12 | H12 | 90.0° | 150.0° |
| C14 | C13 | C12 | H13 | 90.0° | 30.0° |
| C14 | C13 | C18 | H15 | 90.0° | 180.0° |
| CL40 | C16 | C15 | C14 | 90.0° | 179.7° |
| CL40 | C16 | C15 | H4 | 90.0° | 0.3° |
| C16 | C15 | C14 | H4 | 90.0° | 180.0° |
| C16 | C15 | C14 | H14 | 90.0° | 180.0° |
| N07 | C08 | C09 | C10 | 90.0° | 180.0° |
| N07 | C08 | C09 | C05 | 90.0° | 0.2° |
| C08 | N07 | C04 | C05 | 90.0° | 0.5° |
| C08 | N07 | C04 | C03 | 90.0° | 179.8° |
| N07 | C08 | C11 | H9 | 90.0° | 90.0° |
| N07 | C08 | C11 | H10 | 90.0° | 150.0° |
| N07 | C08 | C11 | H11 | 90.0° | 30.0° |
| C08 | N07 | C12 | H12 | 90.0° | 30.0° |
| C08 | N07 | C12 | H13 | 90.0° | 150.0° |
| C09 | C08 | N07 | C04 | 90.0° | 0.4° |
| C08 | C09 | C10 | C05 | 90.0° | 179.7° |
| C08 | C09 | C05 | C04 | 90.0° | 0.1° |
| C08 | C09 | C05 | C06 | 90.0° | 179.6° |
| C08 | C09 | C10 | H1 | 90.0° | 90.0° |
| C08 | C09 | C10 | H2 | 90.0° | 150.0° |
| C08 | C09 | C10 | H3 | 90.0° | 29.9° |
| C09 | C08 | C11 | H9 | 90.0° | 90.0° |
| C09 | C08 | C11 | H10 | 90.0° | 30.0° |
| C09 | C08 | C11 | H11 | 90.0° | 150.0° |
| N07 | C04 | C05 | C09 | 90.0° | 0.3° |
| N07 | C04 | C05 | C03 | 90.0° | 179.8° |
| N07 | C04 | C05 | C06 | 90.0° | 179.9° |
| N07 | C04 | C03 | C02 | 90.0° | 179.7° |
| N07 | C04 | C03 | H7 | 90.0° | 0.3° |
| C04 | N07 | C12 | H12 | 90.0° | 149.5° |
| C04 | N07 | C12 | H13 | 90.0° | 29.4° |
| C10 | C09 | C05 | C04 | 90.0° | 179.7° |
| C10 | C09 | C05 | C06 | 90.0° | 0.2° |
| C09 | C10 | H1 | H2 | 90.0° | 120.0° |
| C09 | C10 | H1 | H3 | 90.0° | 120.0° |
| C09 | C10 | H2 | H3 | 90.0° | 120.0° |
| C09 | C05 | C04 | C06 | 90.0° | 179.6° |
| C09 | C05 | C04 | C03 | 90.0° | 179.9° |
| C09 | C05 | C06 | C01 | 90.0° | 179.9° |
| C05 | C09 | C10 | H1 | 90.0° | 89.7° |
| C05 | C09 | C10 | H2 | 90.0° | 30.3° |
| C05 | C09 | C10 | H3 | 90.0° | 150.3° |
| C09 | C05 | C06 | H8 | 90.0° | 0.5° |
| C05 | C04 | C03 | C02 | 90.0° | 0.0° |
| C04 | C05 | C06 | C01 | 90.0° | 0.6° |
| C05 | C04 | C03 | H7 | 90.0° | 180.0° |
| C04 | C05 | C06 | H8 | 90.0° | 180.0° |
| C03 | C04 | C05 | C06 | 90.0° | 0.3° |
| C04 | C03 | C02 | H7 | 90.0° | 180.0° |
| C04 | C03 | C02 | C01 | 90.0° | 0.0° |
| C04 | C03 | C02 | H6 | 90.0° | 180.0° |
| C05 | C06 | C01 | H8 | 90.0° | 179.5° |
| C05 | C06 | C01 | C02 | 90.0° | 0.6° |
| C05 | C06 | C01 | C24 | 90.0° | 179.7° |
| C03 | C02 | C01 | C06 | 90.0° | 0.3° |
| C03 | C02 | C01 | H6 | 90.0° | 179.9° |
| C03 | C02 | C01 | C24 | 90.0° | 180.0° |
| C06 | C01 | C02 | C24 | 90.0° | 179.7° |
| C06 | C01 | C24 | N26 | 90.0° | 179.7° |
| C06 | C01 | C24 | O25 | 90.0° | 0.3° |
| C06 | C01 | C02 | H6 | 90.0° | 179.8° |
| C02 | C01 | C24 | N26 | 90.0° | 0.0° |
| C02 | C01 | C24 | O25 | 90.0° | 180.0° |
| C01 | C02 | C03 | H7 | 90.0° | 180.0° |
| C02 | C01 | C06 | H8 | 90.0° | 180.0° |
| C01 | C24 | N26 | O25 | 90.0° | 180.0° |
| C01 | C24 | N26 | C27 | 90.0° | 180.0° |
| C24 | C01 | C02 | H6 | 90.0° | 0.1° |
| C24 | C01 | C06 | H8 | 90.0° | 0.3° |
| C01 | C24 | N26 | H36 | 90.0° | 0.0° |
| C24 | N26 | C27 | H36 | 90.0° | 180.0° |
| C24 | N26 | C27 | C34 | 90.0° | 85.0° |
| C24 | N26 | C27 | C28 | 90.0° | 155.0° |
| C24 | N26 | C27 | H16 | 90.0° | 34.9° |
| O25 | C24 | N26 | C27 | 90.0° | 0.0° |
| O25 | C24 | N26 | H36 | 90.0° | 180.0° |
| N26 | C27 | C34 | C28 | 90.0° | 120.0° |
| N26 | C27 | C34 | H16 | 90.0° | 120.0° |
| N26 | C27 | C28 | H16 | 90.0° | 120.0° |
| N26 | C27 | C28 | C29 | 90.0° | 39.7° |
| N26 | C27 | C28 | C33 | 90.0° | 140.0° |
| N26 | C27 | C34 | H21 | 90.0° | 60.0° |
| N26 | C27 | C34 | H22 | 90.0° | 180.0° |
| N26 | C27 | C34 | H23 | 90.0° | 60.0° |
| C34 | C27 | C28 | H16 | 90.0° | 120.0° |
| C34 | C27 | C28 | C29 | 90.0° | 80.2° |
| C34 | C27 | C28 | C33 | 90.0° | 100.0° |
| C27 | C34 | H21 | H22 | 90.0° | 120.0° |
| C27 | C34 | H21 | H23 | 90.0° | 120.0° |
| C27 | C34 | H22 | H23 | 90.0° | 120.0° |
| C34 | C27 | N26 | H36 | 90.0° | 95.0° |
| C27 | C28 | C29 | C33 | 90.0° | 179.8° |
| C27 | C28 | C29 | C30 | 90.0° | 179.7° |
| C27 | C28 | C33 | C32 | 90.0° | 179.7° |
| C27 | C28 | C29 | H17 | 90.0° | 0.3° |
| C27 | C28 | C33 | H20 | 90.0° | 0.0° |
| C28 | C27 | C34 | H21 | 90.0° | 60.0° |
| C28 | C27 | C34 | H22 | 90.0° | 60.0° |
| C28 | C27 | C34 | H23 | 90.0° | 180.0° |
| C28 | C27 | N26 | H36 | 90.0° | 25.0° |
| C28 | C29 | C30 | H17 | 90.0° | 180.0° |
| C28 | C29 | C30 | C31 | 90.0° | 0.0° |
| C29 | C28 | C33 | C32 | 90.0° | 0.1° |
| C29 | C28 | C27 | H16 | 90.0° | 159.8° |
| C28 | C29 | C30 | H18 | 90.0° | 180.0° |
| C29 | C28 | C33 | H20 | 90.0° | 179.8° |
| C30 | C29 | C28 | C33 | 90.0° | 0.1° |
| C29 | C30 | C31 | H18 | 90.0° | 179.9° |
| C29 | C30 | C31 | C32 | 90.0° | 0.0° |
| C29 | C30 | C31 | C35 | 90.0° | 179.9° |
| C28 | C33 | C32 | H20 | 90.0° | 179.7° |
| C28 | C33 | C32 | C31 | 90.0° | 0.1° |
| C33 | C28 | C27 | H16 | 90.0° | 20.0° |
| C33 | C28 | C29 | H17 | 90.0° | 180.0° |
| C28 | C33 | C32 | H19 | 90.0° | 179.9° |
| C30 | C31 | C32 | C33 | 90.0° | 0.1° |
| C30 | C31 | C32 | C35 | 90.0° | 180.0° |
| C30 | C31 | C35 | C38 | 90.0° | 60.0° |
| C30 | C31 | C35 | C36 | 90.0° | 60.0° |
| C30 | C31 | C35 | C37 | 90.0° | 180.0° |
| C31 | C30 | C29 | H17 | 90.0° | 180.0° |
| C30 | C31 | C32 | H19 | 90.0° | 180.0° |
| C33 | C32 | C31 | H19 | 90.0° | 180.0° |
| C33 | C32 | C31 | C35 | 90.0° | 179.9° |
| C32 | C31 | C35 | C38 | 90.0° | 120.0° |
| C32 | C31 | C35 | C36 | 90.0° | 120.0° |
| C32 | C31 | C35 | C37 | 90.0° | 0.0° |
| C32 | C31 | C30 | H18 | 90.0° | 180.0° |
| C31 | C32 | C33 | H20 | 90.0° | 179.8° |
| C31 | C35 | C38 | C36 | 90.0° | 120.0° |
| C31 | C35 | C38 | C37 | 90.0° | 120.0° |
| C31 | C35 | C36 | C37 | 90.0° | 120.0° |
| C35 | C31 | C30 | H18 | 90.0° | 0.0° |
| C35 | C31 | C32 | H19 | 90.0° | 0.1° |
| C31 | C35 | C36 | H24 | 90.0° | 60.0° |
| C31 | C35 | C36 | H25 | 90.0° | 180.0° |
| C31 | C35 | C36 | H26 | 90.0° | 60.0° |
| C31 | C35 | C37 | H27 | 90.0° | 60.0° |
| C31 | C35 | C37 | H28 | 90.0° | 180.0° |
| C31 | C35 | C37 | H29 | 90.0° | 60.0° |
| C31 | C35 | C38 | H30 | 90.0° | 60.0° |
| C31 | C35 | C38 | H31 | 90.0° | 180.0° |
| C31 | C35 | C38 | H32 | 90.0° | 60.1° |
| C38 | C35 | C36 | C37 | 90.0° | 120.0° |
| C38 | C35 | C36 | H24 | 90.0° | 180.0° |
| C38 | C35 | C36 | H25 | 90.0° | 60.0° |
| C38 | C35 | C36 | H26 | 90.0° | 60.0° |
| C38 | C35 | C37 | H27 | 90.0° | 60.0° |
| C38 | C35 | C37 | H28 | 90.0° | 60.0° |
| C38 | C35 | C37 | H29 | 90.0° | 180.0° |
| C35 | C38 | H30 | H31 | 90.0° | 120.0° |
| C35 | C38 | H30 | H32 | 90.0° | 120.1° |
| C35 | C38 | H31 | H32 | 90.0° | 120.0° |
| C35 | C36 | H24 | H25 | 90.0° | 120.0° |
| C35 | C36 | H24 | H26 | 90.0° | 120.0° |
| C35 | C36 | H25 | H26 | 90.0° | 120.0° |
| C36 | C35 | C37 | H27 | 90.0° | 180.0° |
| C36 | C35 | C37 | H28 | 90.0° | 60.0° |
| C36 | C35 | C37 | H29 | 90.0° | 60.0° |
| C36 | C35 | C38 | H30 | 90.0° | 60.0° |
| C36 | C35 | C38 | H31 | 90.0° | 60.0° |
| C36 | C35 | C38 | H32 | 90.0° | 180.0° |
| C37 | C35 | C36 | H24 | 90.0° | 60.0° |
| C37 | C35 | C36 | H25 | 90.0° | 60.0° |
| C37 | C35 | C36 | H26 | 90.0° | 180.0° |
| C35 | C37 | H27 | H28 | 90.0° | 120.0° |
| C35 | C37 | H27 | H29 | 90.0° | 120.0° |
| C35 | C37 | H28 | H29 | 90.0° | 120.0° |
| C37 | C35 | C38 | H30 | 90.0° | 180.0° |
| C37 | C35 | C38 | H31 | 90.0° | 60.0° |
| C37 | C35 | C38 | H32 | 90.0° | 59.9° |
| H1 | C10 | H2 | H3 | 90.0° | 120.0° |
| H4 | C15 | C14 | H14 | 90.0° | 0.0° |
| H5 | C20 | C39 | H33 | 90.0° | 60.0° |
| H5 | C20 | C39 | H34 | 90.0° | 60.0° |
| H5 | C20 | C39 | H35 | 90.0° | 179.9° |
| H6 | C02 | C03 | H7 | 90.0° | 0.1° |
| H9 | C11 | H10 | H11 | 90.0° | 120.0° |
| H16 | C27 | C34 | H21 | 90.0° | 180.0° |
| H16 | C27 | C34 | H22 | 90.0° | 60.0° |
| H16 | C27 | C34 | H23 | 90.0° | 59.9° |
| H16 | C27 | N26 | H36 | 90.0° | 145.1° |
| H17 | C29 | C30 | H18 | 90.0° | 0.1° |
| H19 | C32 | C33 | H20 | 90.0° | 0.2° |
| H21 | C34 | H22 | H23 | 90.0° | 120.0° |
| H24 | C36 | H25 | H26 | 90.0° | 119.9° |
| H27 | C37 | H28 | H29 | 90.0° | 120.0° |
| H30 | C38 | H31 | H32 | 90.0° | 120.0° |
| H33 | C39 | H34 | H35 | 90.0° | 119.9° |
