J9O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N06 | sing | 1.47Å | 1.12Å | |
| C13 | C11 | sing | 1.53Å | 1.69Å | |
| C13 | N07 | sing | 1.47Å | 1.31Å | |
| C15 | N08 | sing | 1.36Å | 1.35Å | |
| C15 | N09 | doub | 1.30Å | 1.35Å | |
| C17 | C20 | sing | 1.51Å | 1.53Å | |
| C17 | N07 | sing | 1.35Å | 1.47Å | |
| C17 | O02 | doub | 1.21Å | 1.19Å | |
| C20 | O03 | sing | 1.43Å | 1.40Å | |
| C21 | C22 | doub | 1.41Å | 1.37Å | Aromatic |
| C21 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | N09 | sing | 1.36Å | 1.32Å | |
| C22 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C18 | sing | 1.47Å | 1.36Å | |
| C24 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.37Å | Aromatic |
| C11 | N06 | sing | 1.47Å | 0.97Å | |
| C12 | C14 | sing | 1.53Å | 1.68Å | |
| C12 | N06 | sing | 1.47Å | 1.15Å | |
| C14 | N07 | sing | 1.47Å | 1.31Å | |
| C18 | N08 | sing | 1.35Å | 1.33Å | |
| C18 | O04 | doub | 1.22Å | 1.19Å | |
| C19 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | N08 | sing | 1.40Å | 1.45Å | |
| C23 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | O05 | sing | 1.36Å | 1.40Å | |
| C25 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C34 | doub | 1.39Å | 1.41Å | Aromatic |
| C32 | C35 | sing | 1.39Å | 1.41Å | Aromatic |
| C32 | O03 | sing | 1.36Å | 1.40Å | |
| C33 | C36 | sing | 1.53Å | 1.53Å | |
| C33 | O05 | sing | 1.43Å | 1.40Å | |
| C34 | C37 | sing | 1.38Å | 1.41Å | Aromatic |
| C35 | C38 | doub | 1.38Å | 1.41Å | Aromatic |
| C37 | C39 | doub | 1.38Å | 1.41Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.41Å | Aromatic |
| C39 | CL1 | sing | 1.74Å | 1.78Å | |
| C15 | C10 | sing | 1.51Å | 1.72Å | |
| C10 | C16 | sing | 1.53Å | 1.72Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| C31 | H22 | sing | 1.08Å | 1.08Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.08Å | 1.08Å | |
| C35 | H26 | sing | 1.08Å | 1.08Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.08Å | 1.08Å | |
| C38 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N06 | C11 | 121.2° | 111.0° |
| C10 | N06 | C12 | 107.5° | 111.0° |
| N06 | C10 | C15 | 119.2° | 109.5° |
| N06 | C10 | C16 | 116.8° | 109.5° |
| N06 | C10 | H1 | 106.5° | 109.5° |
| C11 | C13 | N07 | 108.0° | 108.6° |
| C13 | C11 | N06 | 114.4° | 109.3° |
| C11 | C13 | H2 | 109.9° | 109.6° |
| C11 | C13 | H3 | 109.8° | 109.6° |
| C13 | C11 | H9 | 108.3° | 109.5° |
| C13 | C11 | H10 | 108.2° | 109.5° |
| C13 | N07 | C17 | 116.5° | 120.9° |
| C13 | N07 | C14 | 127.1° | 118.2° |
| N07 | C13 | H2 | 109.8° | 109.7° |
| N07 | C13 | H3 | 109.8° | 109.6° |
| N08 | C15 | N09 | 120.9° | 123.3° |
| C15 | N08 | C18 | 120.7° | 120.6° |
| C15 | N08 | C19 | 117.4° | 119.7° |
| N08 | C15 | C10 | 119.0° | 118.3° |
| C15 | N09 | C21 | 119.1° | 121.6° |
| N09 | C15 | C10 | 120.1° | 118.3° |
| C20 | C17 | N07 | 121.1° | 120.0° |
| C20 | C17 | O02 | 116.9° | 120.0° |
| C17 | C20 | O03 | 109.0° | 109.5° |
| C17 | C20 | H4 | 109.6° | 109.4° |
| C17 | C20 | H5 | 109.6° | 109.5° |
| N07 | C17 | O02 | 122.0° | 120.0° |
| C17 | N07 | C14 | 116.4° | 120.8° |
| C20 | O03 | C32 | 113.3° | 117.0° |
| O03 | C20 | H4 | 109.6° | 109.5° |
| O03 | C20 | H5 | 109.6° | 109.4° |
| C22 | C21 | C24 | 120.2° | 119.3° |
| C22 | C21 | N09 | 120.6° | 119.0° |
| C21 | C22 | C26 | 119.0° | 120.1° |
| C21 | C22 | C18 | 120.0° | 118.0° |
| C24 | C21 | N09 | 119.1° | 121.7° |
| C21 | C24 | C27 | 120.4° | 119.7° |
| C21 | C24 | H6 | 119.8° | 120.2° |
| C26 | C22 | C18 | 120.9° | 121.9° |
| C22 | C26 | C28 | 120.7° | 119.5° |
| C22 | C26 | H7 | 119.6° | 120.2° |
| C22 | C18 | N08 | 118.7° | 117.4° |
| C22 | C18 | O04 | 121.1° | 121.3° |
| C24 | C27 | C28 | 119.7° | 120.8° |
| C27 | C24 | H6 | 119.8° | 120.1° |
| C24 | C27 | H19 | 120.1° | 119.6° |
| C26 | C28 | C27 | 119.9° | 120.6° |
| C28 | C26 | H7 | 119.7° | 120.3° |
| C26 | C28 | H8 | 120.1° | 119.7° |
| C27 | C28 | H8 | 120.1° | 119.7° |
| C28 | C27 | H19 | 120.1° | 119.6° |
| C11 | N06 | C12 | 129.8° | 111.3° |
| N06 | C11 | H9 | 108.2° | 109.5° |
| N06 | C11 | H10 | 108.3° | 109.5° |
| C14 | C12 | N06 | 112.9° | 109.3° |
| C12 | C14 | N07 | 108.3° | 108.5° |
| C14 | C12 | H11 | 108.6° | 109.5° |
| C14 | C12 | H12 | 108.6° | 109.5° |
| C12 | C14 | H13 | 109.8° | 109.6° |
| C12 | C14 | H14 | 109.8° | 109.6° |
| N06 | C12 | H11 | 108.6° | 109.5° |
| N06 | C12 | H12 | 108.6° | 109.5° |
| N07 | C14 | H13 | 109.8° | 109.6° |
| N07 | C14 | H14 | 109.8° | 109.6° |
| N08 | C18 | O04 | 120.2° | 121.2° |
| C18 | N08 | C19 | 121.9° | 119.7° |
| C23 | C19 | C25 | 120.4° | 119.8° |
| C23 | C19 | N08 | 119.8° | 120.1° |
| C19 | C23 | C29 | 119.7° | 119.8° |
| C19 | C23 | O05 | 119.8° | 120.1° |
| C25 | C19 | N08 | 119.8° | 120.1° |
| C19 | C25 | C30 | 119.8° | 120.0° |
| C19 | C25 | H18 | 120.1° | 120.0° |
| C29 | C23 | O05 | 120.5° | 120.1° |
| C23 | C29 | C31 | 120.0° | 120.0° |
| C23 | C29 | H20 | 120.0° | 120.0° |
| C23 | O05 | C33 | 114.9° | 117.0° |
| C25 | C30 | C31 | 120.0° | 120.1° |
| C30 | C25 | H18 | 120.1° | 120.0° |
| C25 | C30 | H21 | 120.0° | 119.9° |
| C29 | C31 | C30 | 120.1° | 120.2° |
| C31 | C29 | H20 | 120.0° | 120.0° |
| C29 | C31 | H22 | 120.0° | 119.9° |
| C31 | C30 | H21 | 120.0° | 119.9° |
| C30 | C31 | H22 | 119.9° | 119.9° |
| C34 | C32 | C35 | 120.1° | 119.9° |
| C34 | C32 | O03 | 120.0° | 120.0° |
| C32 | C34 | C37 | 120.0° | 119.9° |
| C32 | C34 | H25 | 120.0° | 120.0° |
| C35 | C32 | O03 | 119.9° | 120.0° |
| C32 | C35 | C38 | 120.0° | 120.0° |
| C32 | C35 | H26 | 120.0° | 120.0° |
| C36 | C33 | O05 | 109.8° | 109.5° |
| C36 | C33 | H23 | 109.4° | 109.4° |
| C36 | C33 | H24 | 109.4° | 109.4° |
| C33 | C36 | H27 | 109.5° | 109.5° |
| C33 | C36 | H28 | 109.4° | 109.5° |
| C33 | C36 | H29 | 109.5° | 109.5° |
| O05 | C33 | H23 | 109.4° | 109.5° |
| O05 | C33 | H24 | 109.4° | 109.5° |
| C34 | C37 | C39 | 119.9° | 120.0° |
| C37 | C34 | H25 | 120.0° | 120.0° |
| C34 | C37 | H30 | 120.0° | 119.9° |
| C35 | C38 | C39 | 120.0° | 120.0° |
| C38 | C35 | H26 | 120.0° | 120.0° |
| C35 | C38 | H31 | 120.0° | 120.0° |
| C37 | C39 | C38 | 120.0° | 120.1° |
| C37 | C39 | CL1 | 120.0° | 120.0° |
| C39 | C37 | H30 | 120.0° | 120.0° |
| C38 | C39 | CL1 | 120.0° | 119.9° |
| C39 | C38 | H31 | 120.0° | 120.0° |
| C15 | C10 | C16 | 109.8° | 109.4° |
| C15 | C10 | H1 | 100.6° | 109.5° |
| C16 | C10 | H1 | 100.6° | 109.4° |
| C10 | C16 | H15 | 109.5° | 109.5° |
| C10 | C16 | H16 | 109.4° | 109.5° |
| C10 | C16 | H17 | 109.4° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.8° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.4° | 109.6° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.8° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H15 | C16 | H17 | 109.4° | 109.4° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H23 | C33 | H24 | 109.5° | 109.5° |
| H27 | C36 | H28 | 109.5° | 109.4° |
| H27 | C36 | H29 | 109.4° | 109.5° |
| H28 | C36 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N06 | C11 | C13 | 142.1° | 172.8° |
| N06 | C10 | C15 | N08 | 90.6° | 143.9° |
| N06 | C10 | C15 | N09 | 89.1° | 36.3° |
| C10 | N06 | C11 | C12 | 163.8° | 124.1° |
| C10 | N06 | C12 | C14 | 143.8° | 172.8° |
| N06 | C10 | C15 | C16 | 138.7° | 120.0° |
| N06 | C10 | C15 | H1 | 115.8° | 120.1° |
| N06 | C10 | C16 | H1 | 114.8° | 120.0° |
| C10 | N06 | C11 | H9 | 97.2° | 67.3° |
| C10 | N06 | C11 | H10 | 21.3° | 52.8° |
| C10 | N06 | C12 | H11 | 23.3° | 52.8° |
| C10 | N06 | C12 | H12 | 95.7° | 67.3° |
| N06 | C10 | C16 | H15 | 180.0° | 52.9° |
| N06 | C10 | C16 | H16 | 60.0° | 172.9° |
| N06 | C10 | C16 | H17 | 60.0° | 67.0° |
| C11 | C13 | N07 | H2 | 119.8° | 119.7° |
| C11 | C13 | N07 | H3 | 119.8° | 119.7° |
| C11 | C13 | N07 | C17 | 162.0° | 128.8° |
| C13 | C11 | N06 | H9 | 120.7° | 119.9° |
| C13 | C11 | N06 | H10 | 120.7° | 119.9° |
| C13 | C11 | N06 | C12 | 54.1° | 63.1° |
| C11 | C13 | N07 | C14 | 17.4° | 51.2° |
| C11 | C13 | H2 | H3 | 120.7° | 120.4° |
| C13 | C11 | H9 | H10 | 117.7° | 120.1° |
| C13 | N07 | C17 | C20 | 179.6° | 180.0° |
| C13 | N07 | C17 | C14 | 179.5° | 180.0° |
| C13 | N07 | C17 | O02 | 0.3° | 0.0° |
| N07 | C13 | C11 | N06 | 31.2° | 53.8° |
| C13 | N07 | C14 | C12 | 15.7° | 51.2° |
| N07 | C13 | H2 | H3 | 120.6° | 120.5° |
| N07 | C13 | C11 | H9 | 89.5° | 66.1° |
| N07 | C13 | C11 | H10 | 151.9° | 173.8° |
| C13 | N07 | C14 | H13 | 135.5° | 170.9° |
| C13 | N07 | C14 | H14 | 104.1° | 68.5° |
| N08 | C15 | N09 | C10 | 179.7° | 179.8° |
| N08 | C15 | N09 | C21 | 0.1° | 0.0° |
| C15 | N08 | C18 | C22 | 0.0° | 0.0° |
| C15 | N08 | C18 | C19 | 180.0° | 180.0° |
| C15 | N08 | C18 | O04 | 179.9° | 180.0° |
| C15 | N08 | C19 | C23 | 95.9° | 90.7° |
| C15 | N08 | C19 | C25 | 83.5° | 89.1° |
| N08 | C15 | C10 | C16 | 130.8° | 96.1° |
| N08 | C15 | C10 | H1 | 25.3° | 23.8° |
| C15 | N09 | C21 | C22 | 0.0° | 0.1° |
| C15 | N09 | C21 | C24 | 179.9° | 180.0° |
| N09 | C15 | N08 | C18 | 0.1° | 0.1° |
| N09 | C15 | N08 | C19 | 179.9° | 180.0° |
| N09 | C15 | C10 | C16 | 49.5° | 83.7° |
| N09 | C15 | C10 | H1 | 155.0° | 156.4° |
| C20 | C17 | N07 | O02 | 180.0° | 180.0° |
| C17 | C20 | O03 | H4 | 119.9° | 120.0° |
| C17 | C20 | O03 | H5 | 119.9° | 120.0° |
| C20 | C17 | N07 | C14 | 0.1° | 0.0° |
| C17 | C20 | O03 | C32 | 175.2° | 180.0° |
| C17 | C20 | H4 | H5 | 120.2° | 120.0° |
| N07 | C17 | C20 | O03 | 81.3° | 180.0° |
| C17 | N07 | C14 | C12 | 163.8° | 128.8° |
| C17 | N07 | C13 | H2 | 78.2° | 111.5° |
| C17 | N07 | C13 | H3 | 42.3° | 9.1° |
| N07 | C17 | C20 | H4 | 38.7° | 60.0° |
| N07 | C17 | C20 | H5 | 158.8° | 60.0° |
| C17 | N07 | C14 | H13 | 44.0° | 9.1° |
| C17 | N07 | C14 | H14 | 76.4° | 111.5° |
| O02 | C17 | C20 | O03 | 98.7° | 0.0° |
| O02 | C17 | N07 | C14 | 179.9° | 180.0° |
| O02 | C17 | C20 | H4 | 141.3° | 120.0° |
| O02 | C17 | C20 | H5 | 21.2° | 120.0° |
| C20 | O03 | C32 | C34 | 130.0° | 180.0° |
| C20 | O03 | C32 | C35 | 49.7° | 0.2° |
| O03 | C20 | H4 | H5 | 120.2° | 120.0° |
| C22 | C21 | C24 | N09 | 180.0° | 179.9° |
| C21 | C22 | C26 | C18 | 179.9° | 180.0° |
| C22 | C21 | C24 | C27 | 0.0° | 0.1° |
| C21 | C22 | C26 | C28 | 0.1° | 0.0° |
| C21 | C22 | C18 | N08 | 0.0° | 0.0° |
| C21 | C22 | C18 | O04 | 179.9° | 179.9° |
| C22 | C21 | C24 | H6 | 179.9° | 179.9° |
| C21 | C22 | C26 | H7 | 179.9° | 179.9° |
| C24 | C21 | C22 | C26 | 0.1° | 0.0° |
| C24 | C21 | C22 | C18 | 180.0° | 180.0° |
| C21 | C24 | C27 | H6 | 180.0° | 180.0° |
| C21 | C24 | C27 | C28 | 0.0° | 0.1° |
| C21 | C24 | C27 | H19 | 179.9° | 180.0° |
| N09 | C21 | C22 | C26 | 179.9° | 179.9° |
| N09 | C21 | C22 | C18 | 0.0° | 0.1° |
| N09 | C21 | C24 | C27 | 180.0° | 180.0° |
| C21 | N09 | C15 | C10 | 179.8° | 179.8° |
| N09 | C21 | C24 | H6 | 0.1° | 0.0° |
| C22 | C26 | C28 | H7 | 180.0° | 179.9° |
| C22 | C26 | C28 | C27 | 0.1° | 0.1° |
| C26 | C22 | C18 | N08 | 179.9° | 180.0° |
| C26 | C22 | C18 | O04 | 0.0° | 0.0° |
| C22 | C26 | C28 | H8 | 179.9° | 180.0° |
| C18 | C22 | C26 | C28 | 180.0° | 180.0° |
| C22 | C18 | N08 | O04 | 179.9° | 180.0° |
| C22 | C18 | N08 | C19 | 179.9° | 180.0° |
| C18 | C22 | C26 | H7 | 0.0° | 0.1° |
| C24 | C27 | C28 | C26 | 0.1° | 0.1° |
| C24 | C27 | C28 | H19 | 180.0° | 179.8° |
| C24 | C27 | C28 | H8 | 179.9° | 180.0° |
| C26 | C28 | C27 | H8 | 180.0° | 179.9° |
| C26 | C28 | C27 | H19 | 179.9° | 180.0° |
| C28 | C27 | C24 | H6 | 179.9° | 179.9° |
| C27 | C28 | C26 | H7 | 179.9° | 179.8° |
| C11 | N06 | C12 | C14 | 50.7° | 63.1° |
| C11 | N06 | C10 | C15 | 64.4° | 178.8° |
| C11 | N06 | C10 | C16 | 71.5° | 58.9° |
| C11 | N06 | C10 | H1 | 177.1° | 61.1° |
| N06 | C11 | C13 | H2 | 88.6° | 65.9° |
| N06 | C11 | C13 | H3 | 150.9° | 173.5° |
| N06 | C11 | H9 | H10 | 117.8° | 120.1° |
| C11 | N06 | C12 | H11 | 171.2° | 176.9° |
| C11 | N06 | C12 | H12 | 69.8° | 56.8° |
| C14 | C12 | N06 | H11 | 120.5° | 120.0° |
| C14 | C12 | N06 | H12 | 120.5° | 119.9° |
| C12 | C14 | N07 | H13 | 119.8° | 119.7° |
| C12 | C14 | N07 | H14 | 119.8° | 119.7° |
| C14 | C12 | H11 | H12 | 118.4° | 120.1° |
| C12 | C14 | H13 | H14 | 120.5° | 120.5° |
| N06 | C12 | C14 | N07 | 23.2° | 53.8° |
| C12 | N06 | C10 | C15 | 128.6° | 56.9° |
| C12 | N06 | C10 | C16 | 95.5° | 176.9° |
| C12 | N06 | C10 | H1 | 15.9° | 63.2° |
| C12 | N06 | C11 | H9 | 66.6° | 56.8° |
| C12 | N06 | C11 | H10 | 174.8° | 176.9° |
| N06 | C12 | H11 | H12 | 118.4° | 120.0° |
| N06 | C12 | C14 | H13 | 143.0° | 173.5° |
| N06 | C12 | C14 | H14 | 96.6° | 65.9° |
| C14 | N07 | C13 | H2 | 102.4° | 68.5° |
| C14 | N07 | C13 | H3 | 137.2° | 170.9° |
| N07 | C14 | C12 | H11 | 143.7° | 173.7° |
| N07 | C14 | C12 | H12 | 97.3° | 66.1° |
| N07 | C14 | H13 | H14 | 120.6° | 120.5° |
| C18 | N08 | C19 | C23 | 84.1° | 89.3° |
| C18 | N08 | C19 | C25 | 96.6° | 90.9° |
| C18 | N08 | C15 | C10 | 179.8° | 179.7° |
| O04 | C18 | N08 | C19 | 0.2° | 0.0° |
| C23 | C19 | C25 | N08 | 179.4° | 179.7° |
| C19 | C23 | C29 | O05 | 180.0° | 179.9° |
| C23 | C19 | C25 | C30 | 0.3° | 0.0° |
| C19 | C23 | C29 | C31 | 0.0° | 0.1° |
| C19 | C23 | O05 | C33 | 135.3° | 180.0° |
| C23 | C19 | C25 | H18 | 179.7° | 180.0° |
| C19 | C23 | C29 | H20 | 180.0° | 180.0° |
| C25 | C19 | C23 | C29 | 0.2° | 0.1° |
| C25 | C19 | C23 | O05 | 179.8° | 180.0° |
| C19 | C25 | C30 | H18 | 180.0° | 180.0° |
| C19 | C25 | C30 | C31 | 0.2° | 0.0° |
| C19 | C25 | C30 | H21 | 179.8° | 180.0° |
| N08 | C19 | C23 | C29 | 179.6° | 179.8° |
| N08 | C19 | C23 | O05 | 0.4° | 0.3° |
| N08 | C19 | C25 | C30 | 179.6° | 179.8° |
| C19 | N08 | C15 | C10 | 0.1° | 0.2° |
| N08 | C19 | C25 | H18 | 0.4° | 0.2° |
| C23 | C29 | C31 | H20 | 180.0° | 179.9° |
| C23 | C29 | C31 | C30 | 0.1° | 0.1° |
| C29 | C23 | O05 | C33 | 44.7° | 0.1° |
| C23 | C29 | C31 | H22 | 179.9° | 180.0° |
| O05 | C23 | C29 | C31 | 180.0° | 180.0° |
| C23 | O05 | C33 | C36 | 70.2° | 180.0° |
| O05 | C23 | C29 | H20 | 0.0° | 0.1° |
| C23 | O05 | C33 | H23 | 49.9° | 60.0° |
| C23 | O05 | C33 | H24 | 169.8° | 60.0° |
| C25 | C30 | C31 | C29 | 0.0° | 0.1° |
| C25 | C30 | C31 | H21 | 180.0° | 180.0° |
| C25 | C30 | C31 | H22 | 180.0° | 180.0° |
| C29 | C31 | C30 | H22 | 180.0° | 179.9° |
| C29 | C31 | C30 | H21 | 180.0° | 180.0° |
| C31 | C30 | C25 | H18 | 179.8° | 180.0° |
| C30 | C31 | C29 | H20 | 179.9° | 180.0° |
| C34 | C32 | C35 | O03 | 179.7° | 179.8° |
| C32 | C34 | C37 | H25 | 180.0° | 180.0° |
| C34 | C32 | C35 | C38 | 0.2° | 0.0° |
| C32 | C34 | C37 | C39 | 0.1° | 0.1° |
| C34 | C32 | C35 | H26 | 179.9° | 180.0° |
| C32 | C34 | C37 | H30 | 179.9° | 180.0° |
| C35 | C32 | C34 | C37 | 0.1° | 0.1° |
| C32 | C35 | C38 | H26 | 180.0° | 180.0° |
| C32 | C35 | C38 | C39 | 0.1° | 0.0° |
| C35 | C32 | C34 | H25 | 179.8° | 180.0° |
| C32 | C35 | C38 | H31 | 179.9° | 180.0° |
| O03 | C32 | C34 | C37 | 179.9° | 179.8° |
| O03 | C32 | C35 | C38 | 179.9° | 179.8° |
| C32 | O03 | C20 | H4 | 55.3° | 59.9° |
| C32 | O03 | C20 | H5 | 64.9° | 60.0° |
| O03 | C32 | C34 | H25 | 0.1° | 0.2° |
| O03 | C32 | C35 | H26 | 0.1° | 0.2° |
| C36 | C33 | O05 | H23 | 120.0° | 120.0° |
| C36 | C33 | O05 | H24 | 120.0° | 120.0° |
| C36 | C33 | H23 | H24 | 119.8° | 119.9° |
| C33 | C36 | H27 | H28 | 120.0° | 120.0° |
| C33 | C36 | H27 | H29 | 120.0° | 120.0° |
| C33 | C36 | H28 | H29 | 120.0° | 120.0° |
| O05 | C33 | H23 | H24 | 119.9° | 120.1° |
| O05 | C33 | C36 | H27 | 180.0° | 60.0° |
| O05 | C33 | C36 | H28 | 60.0° | 180.0° |
| O05 | C33 | C36 | H29 | 60.0° | 60.0° |
| C34 | C37 | C39 | H30 | 180.0° | 179.9° |
| C34 | C37 | C39 | C38 | 0.0° | 0.1° |
| C34 | C37 | C39 | CL1 | 179.9° | 180.0° |
| C35 | C38 | C39 | C37 | 0.0° | 0.0° |
| C35 | C38 | C39 | H31 | 180.0° | 180.0° |
| C35 | C38 | C39 | CL1 | 179.9° | 180.0° |
| C37 | C39 | C38 | CL1 | 179.9° | 180.0° |
| C39 | C37 | C34 | H25 | 179.9° | 180.0° |
| C37 | C39 | C38 | H31 | 180.0° | 180.0° |
| C39 | C38 | C35 | H26 | 179.9° | 180.0° |
| C38 | C39 | C37 | H30 | 180.0° | 180.0° |
| CL1 | C39 | C37 | H30 | 0.1° | 0.0° |
| CL1 | C39 | C38 | H31 | 0.1° | 0.0° |
| C15 | C10 | C16 | H1 | 105.5° | 120.0° |
| C15 | C10 | C16 | H15 | 40.2° | 67.1° |
| C15 | C10 | C16 | H16 | 160.3° | 52.9° |
| C15 | C10 | C16 | H17 | 79.8° | 173.0° |
| C10 | C16 | H15 | H16 | 120.0° | 120.0° |
| C10 | C16 | H15 | H17 | 120.0° | 120.0° |
| C10 | C16 | H16 | H17 | 120.0° | 120.0° |
| H1 | C10 | C16 | H15 | 65.3° | 172.9° |
| H1 | C10 | C16 | H16 | 54.8° | 67.1° |
| H1 | C10 | C16 | H17 | 174.7° | 53.0° |
| H2 | C13 | C11 | H9 | 150.7° | 174.2° |
| H2 | C13 | C11 | H10 | 32.1° | 54.0° |
| H3 | C13 | C11 | H9 | 30.2° | 53.6° |
| H3 | C13 | C11 | H10 | 88.3° | 66.5° |
| H6 | C24 | C27 | H19 | 0.1° | 0.0° |
| H7 | C26 | C28 | H8 | 0.1° | 0.0° |
| H8 | C28 | C27 | H19 | 0.1° | 0.1° |
| H11 | C12 | C14 | H13 | 96.5° | 66.6° |
| H11 | C12 | C14 | H14 | 23.9° | 54.1° |
| H12 | C12 | C14 | H13 | 22.5° | 53.6° |
| H12 | C12 | C14 | H14 | 142.9° | 174.2° |
| H15 | C16 | H16 | H17 | 120.0° | 120.0° |
| H18 | C25 | C30 | H21 | 0.2° | 0.0° |
| H20 | C29 | C31 | H22 | 0.1° | 0.1° |
| H21 | C30 | C31 | H22 | 0.0° | 0.0° |
| H23 | C33 | C36 | H27 | 60.0° | 180.0° |
| H23 | C33 | C36 | H28 | 60.1° | 60.0° |
| H23 | C33 | C36 | H29 | 179.9° | 60.0° |
| H24 | C33 | C36 | H27 | 59.9° | 60.0° |
| H24 | C33 | C36 | H28 | 180.0° | 59.9° |
| H24 | C33 | C36 | H29 | 60.1° | 179.9° |
| H25 | C34 | C37 | H30 | 0.1° | 0.0° |
| H26 | C35 | C38 | H31 | 0.1° | 0.0° |
| H27 | C36 | H28 | H29 | 120.0° | 120.0° |
