D6F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | C39 | sing | 1.53Å | 1.53Å | |
| C39 | N30 | sing | 1.46Å | 1.48Å | |
| C31 | N30 | doub | 1.32Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| N30 | C29 | sing | 1.32Å | 1.40Å | Aromatic |
| C32 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C12 | sing | 1.48Å | 1.39Å | |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | N35 | sing | 1.32Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C42 | C38 | sing | 1.53Å | 1.53Å | |
| C38 | N35 | sing | 1.47Å | 1.48Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| N35 | C36 | doub | 1.32Å | 1.40Å | Aromatic |
| C10 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C17 | sing | 1.48Å | 1.39Å | |
| C21 | C37 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N1 | sing | 1.40Å | 1.33Å | |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.40Å | 1.33Å | |
| C2 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C3 | sing | 1.40Å | 1.33Å | |
| C3 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C20 | sing | 1.48Å | 1.39Å | |
| C20 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | N25 | doub | 1.32Å | 1.40Å | Aromatic |
| C24 | N25 | sing | 1.32Å | 1.40Å | Aromatic |
| N25 | C40 | sing | 1.46Å | 1.48Å | |
| C40 | C43 | sing | 1.53Å | 1.53Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H9O | sing | 1.09Å | 1.10Å | |
| C41 | H9P | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H9M | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H9N | sing | 1.09Å | 1.10Å | |
| C43 | H9T | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H9S | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C38 | H9L | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H9Q | sing | 1.09Å | 1.10Å | |
| C42 | H9R | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C41 | C39 | N30 | 110.2° | 109.5° |
| C39 | C41 | H41 | 109.5° | 109.5° |
| C39 | C41 | H9O | 109.5° | 109.5° |
| C39 | C41 | H9P | 109.5° | 109.5° |
| C41 | C39 | H39 | 109.3° | 109.5° |
| C41 | C39 | H9M | 109.3° | 109.4° |
| C39 | N30 | C31 | 120.1° | 119.0° |
| C39 | N30 | C29 | 120.0° | 119.0° |
| N30 | C39 | H39 | 109.3° | 109.5° |
| N30 | C39 | H9M | 109.3° | 109.5° |
| N30 | C31 | C32 | 119.9° | 120.9° |
| C31 | N30 | C29 | 119.9° | 122.0° |
| N30 | C31 | H31 | 120.0° | 119.5° |
| C31 | C32 | C22 | 120.1° | 119.0° |
| C32 | C31 | H31 | 120.1° | 119.6° |
| C31 | C32 | H32 | 119.9° | 120.5° |
| N30 | C29 | C28 | 119.9° | 120.9° |
| N30 | C29 | H29 | 120.0° | 119.5° |
| C32 | C22 | C28 | 120.1° | 118.2° |
| C32 | C22 | C12 | 120.0° | 120.9° |
| C22 | C32 | H32 | 120.0° | 120.5° |
| C29 | C28 | C22 | 120.1° | 119.0° |
| C28 | C29 | H29 | 120.1° | 119.6° |
| C29 | C28 | H28 | 120.0° | 120.5° |
| C28 | C22 | C12 | 119.9° | 120.9° |
| C22 | C28 | H28 | 119.9° | 120.5° |
| C22 | C12 | C11 | 120.1° | 120.1° |
| C22 | C12 | C13 | 120.0° | 120.0° |
| C11 | C12 | C13 | 119.9° | 119.9° |
| C12 | C11 | C10 | 120.0° | 120.0° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C12 | C13 | C14 | 120.1° | 119.9° |
| C12 | C13 | H13 | 120.0° | 120.0° |
| C33 | C34 | N35 | 119.9° | 120.8° |
| C34 | C33 | C21 | 120.1° | 119.0° |
| C34 | C33 | H33 | 120.0° | 120.4° |
| C33 | C34 | H34 | 120.1° | 119.6° |
| C34 | N35 | C38 | 120.1° | 119.0° |
| C34 | N35 | C36 | 119.9° | 122.0° |
| N35 | C34 | H34 | 120.0° | 119.6° |
| C11 | C10 | C4 | 120.0° | 120.0° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C11 | C10 | H10 | 120.0° | 120.0° |
| C33 | C21 | C17 | 119.9° | 120.9° |
| C33 | C21 | C37 | 120.2° | 118.2° |
| C21 | C33 | H33 | 120.0° | 120.5° |
| C42 | C38 | N35 | 110.2° | 109.5° |
| C42 | C38 | H9L | 109.3° | 109.5° |
| C42 | C38 | H38 | 109.3° | 109.5° |
| C38 | C42 | H42 | 109.5° | 109.5° |
| C38 | C42 | H9Q | 109.5° | 109.4° |
| C38 | C42 | H9R | 109.4° | 109.5° |
| C38 | N35 | C36 | 120.0° | 119.0° |
| N35 | C38 | H9L | 109.3° | 109.5° |
| N35 | C38 | H38 | 109.3° | 109.5° |
| C13 | C14 | C4 | 120.0° | 120.0° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| C13 | C14 | H14 | 120.0° | 119.9° |
| N35 | C36 | C37 | 119.9° | 120.9° |
| N35 | C36 | H36 | 120.0° | 119.6° |
| C10 | C4 | C14 | 120.0° | 120.1° |
| C10 | C4 | N1 | 120.0° | 119.9° |
| C4 | C10 | H10 | 120.0° | 120.0° |
| C17 | C21 | C37 | 119.9° | 120.9° |
| C21 | C17 | C18 | 120.0° | 120.0° |
| C21 | C17 | C16 | 120.0° | 120.0° |
| C21 | C37 | C36 | 120.1° | 119.0° |
| C21 | C37 | H37 | 120.0° | 120.5° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C18 | C17 | C16 | 120.0° | 119.9° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C18 | C19 | C2 | 120.0° | 120.0° |
| C18 | C19 | H19 | 120.0° | 120.0° |
| C19 | C18 | H18 | 120.0° | 120.0° |
| C14 | C4 | N1 | 120.0° | 120.0° |
| C4 | C14 | H14 | 120.0° | 120.0° |
| C4 | N1 | C2 | 119.1° | 120.0° |
| C4 | N1 | C3 | 117.2° | 120.0° |
| C17 | C16 | C15 | 120.0° | 119.9° |
| C17 | C16 | H16 | 120.0° | 120.0° |
| C19 | C2 | N1 | 120.1° | 120.0° |
| C19 | C2 | C15 | 119.9° | 120.1° |
| C2 | C19 | H19 | 120.0° | 120.0° |
| C36 | C37 | H37 | 120.0° | 120.5° |
| C37 | C36 | H36 | 120.1° | 119.6° |
| C16 | C15 | C2 | 120.0° | 120.1° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| N1 | C2 | C15 | 120.0° | 120.0° |
| C2 | N1 | C3 | 123.4° | 120.0° |
| C2 | C15 | H15 | 120.0° | 119.9° |
| N1 | C3 | C5 | 120.0° | 120.0° |
| N1 | C3 | C9 | 120.1° | 120.0° |
| C5 | C3 | C9 | 119.9° | 120.0° |
| C3 | C5 | C6 | 120.1° | 120.1° |
| C3 | C5 | H5 | 120.0° | 119.9° |
| C3 | C9 | C8 | 120.1° | 120.1° |
| C3 | C9 | H9 | 120.0° | 120.0° |
| C5 | C6 | C7 | 120.0° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C9 | C8 | C7 | 120.0° | 120.0° |
| C8 | C9 | H9 | 119.9° | 120.0° |
| C9 | C8 | H8 | 120.0° | 120.0° |
| C6 | C7 | C8 | 119.9° | 119.9° |
| C6 | C7 | C20 | 120.0° | 120.0° |
| C7 | C6 | H6 | 120.0° | 120.1° |
| C8 | C7 | C20 | 120.0° | 120.1° |
| C7 | C8 | H8 | 120.0° | 120.0° |
| C7 | C20 | C27 | 119.9° | 120.9° |
| C7 | C20 | C23 | 119.9° | 120.9° |
| C27 | C20 | C23 | 120.2° | 118.2° |
| C20 | C27 | C26 | 120.1° | 119.0° |
| C20 | C27 | H27 | 119.9° | 120.5° |
| C20 | C23 | C24 | 120.1° | 119.1° |
| C20 | C23 | H23 | 120.0° | 120.5° |
| C27 | C26 | N25 | 119.9° | 120.9° |
| C26 | C27 | H27 | 120.0° | 120.4° |
| C27 | C26 | H26 | 120.1° | 119.6° |
| C23 | C24 | N25 | 119.9° | 120.8° |
| C24 | C23 | H23 | 120.0° | 120.5° |
| C23 | C24 | H24 | 120.0° | 119.6° |
| C26 | N25 | C24 | 119.9° | 122.0° |
| C26 | N25 | C40 | 120.1° | 119.0° |
| N25 | C26 | H26 | 120.0° | 119.5° |
| C24 | N25 | C40 | 120.0° | 119.0° |
| N25 | C24 | H24 | 120.1° | 119.6° |
| N25 | C40 | C43 | 110.2° | 109.4° |
| N25 | C40 | H40 | 109.3° | 109.5° |
| N25 | C40 | H9N | 109.3° | 109.5° |
| C43 | C40 | H40 | 109.3° | 109.5° |
| C43 | C40 | H9N | 109.3° | 109.5° |
| C40 | C43 | H9T | 109.5° | 109.5° |
| C40 | C43 | H43 | 109.5° | 109.4° |
| C40 | C43 | H9S | 109.5° | 109.5° |
| H41 | C41 | H9O | 109.5° | 109.4° |
| H41 | C41 | H9P | 109.5° | 109.5° |
| H9O | C41 | H9P | 109.5° | 109.5° |
| H39 | C39 | H9M | 109.5° | 109.5° |
| H40 | C40 | H9N | 109.5° | 109.5° |
| H9T | C43 | H43 | 109.5° | 109.5° |
| H9T | C43 | H9S | 109.4° | 109.5° |
| H43 | C43 | H9S | 109.5° | 109.4° |
| H9L | C38 | H38 | 109.5° | 109.5° |
| H42 | C42 | H9Q | 109.4° | 109.5° |
| H42 | C42 | H9R | 109.5° | 109.5° |
| H9Q | C42 | H9R | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C41 | C39 | N30 | H39 | 120.1° | 120.0° |
| C41 | C39 | N30 | H9M | 120.1° | 120.0° |
| C41 | C39 | N30 | C31 | 88.9° | 89.7° |
| C41 | C39 | N30 | C29 | 91.1° | 90.0° |
| C39 | C41 | H41 | H9O | 120.0° | 120.0° |
| C39 | C41 | H41 | H9P | 120.0° | 120.0° |
| C39 | C41 | H9O | H9P | 120.0° | 120.0° |
| C41 | C39 | H39 | H9M | 119.6° | 119.9° |
| C39 | N30 | C31 | C29 | 179.9° | 179.7° |
| C39 | N30 | C31 | C32 | 180.0° | 180.0° |
| C39 | N30 | C29 | C28 | 179.9° | 180.0° |
| N30 | C39 | C41 | H41 | 180.0° | 60.0° |
| N30 | C39 | C41 | H9O | 60.0° | 60.0° |
| N30 | C39 | C41 | H9P | 60.0° | 180.0° |
| N30 | C39 | H39 | H9M | 119.7° | 120.0° |
| C39 | N30 | C31 | H31 | 0.0° | 0.1° |
| C39 | N30 | C29 | H29 | 0.0° | 0.0° |
| N30 | C31 | C32 | H31 | 180.0° | 179.9° |
| N30 | C31 | C32 | C22 | 0.1° | 0.0° |
| C31 | N30 | C29 | C28 | 0.0° | 0.3° |
| C31 | N30 | C39 | H39 | 151.0° | 150.3° |
| C31 | N30 | C39 | H9M | 31.2° | 30.3° |
| N30 | C31 | C32 | H32 | 179.9° | 179.9° |
| C31 | N30 | C29 | H29 | 180.0° | 179.7° |
| C32 | C31 | N30 | C29 | 0.1° | 0.3° |
| C31 | C32 | C22 | H32 | 180.0° | 179.9° |
| C31 | C32 | C22 | C28 | 0.0° | 0.2° |
| C31 | C32 | C22 | C12 | 180.0° | 180.0° |
| N30 | C29 | C28 | H29 | 180.0° | 180.0° |
| N30 | C29 | C28 | C22 | 0.0° | 0.0° |
| C29 | N30 | C39 | H39 | 29.0° | 30.0° |
| C29 | N30 | C39 | H9M | 148.8° | 150.0° |
| C29 | N30 | C31 | H31 | 179.9° | 179.7° |
| N30 | C29 | C28 | H28 | 180.0° | 180.0° |
| C32 | C22 | C28 | C29 | 0.0° | 0.2° |
| C32 | C22 | C28 | C12 | 180.0° | 179.8° |
| C32 | C22 | C12 | C11 | 51.0° | 180.0° |
| C32 | C22 | C12 | C13 | 129.0° | 0.2° |
| C22 | C32 | C31 | H31 | 179.9° | 180.0° |
| C32 | C22 | C28 | H28 | 180.0° | 179.7° |
| C29 | C28 | C22 | H28 | 180.0° | 179.9° |
| C29 | C28 | C22 | C12 | 180.0° | 180.0° |
| C28 | C22 | C12 | C11 | 129.0° | 0.2° |
| C28 | C22 | C12 | C13 | 51.0° | 179.5° |
| C28 | C22 | C32 | H32 | 180.0° | 179.8° |
| C22 | C28 | C29 | H29 | 180.0° | 180.0° |
| C22 | C12 | C11 | C13 | 180.0° | 179.8° |
| C22 | C12 | C11 | C10 | 180.0° | 180.0° |
| C22 | C12 | C13 | C14 | 180.0° | 180.0° |
| C12 | C22 | C32 | H32 | 0.1° | 0.1° |
| C12 | C22 | C28 | H28 | 0.0° | 0.0° |
| C22 | C12 | C13 | H13 | 0.1° | 0.0° |
| C22 | C12 | C11 | H11 | 0.0° | 0.1° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.2° |
| C12 | C11 | C10 | C4 | 0.0° | 0.0° |
| C11 | C12 | C13 | H13 | 179.9° | 179.8° |
| C12 | C11 | C10 | H10 | 179.9° | 180.0° |
| C13 | C12 | C11 | C10 | 0.0° | 0.2° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C4 | 0.1° | 0.1° |
| C12 | C13 | C14 | H14 | 179.9° | 180.0° |
| C13 | C12 | C11 | H11 | 180.0° | 179.7° |
| C33 | C34 | N35 | H34 | 180.0° | 179.9° |
| C34 | C33 | C21 | H33 | 180.0° | 180.0° |
| C33 | C34 | N35 | C38 | 180.0° | 180.0° |
| C33 | C34 | N35 | C36 | 0.1° | 0.4° |
| C34 | C33 | C21 | C17 | 180.0° | 180.0° |
| C34 | C33 | C21 | C37 | 0.0° | 0.3° |
| N35 | C34 | C33 | C21 | 0.0° | 0.0° |
| C34 | N35 | C38 | C42 | 89.8° | 90.0° |
| C34 | N35 | C38 | C36 | 179.9° | 179.6° |
| C34 | N35 | C36 | C37 | 0.1° | 0.4° |
| C34 | N35 | C36 | H36 | 179.9° | 179.7° |
| N35 | C34 | C33 | H33 | 179.9° | 179.9° |
| C34 | N35 | C38 | H9L | 150.1° | 150.0° |
| C34 | N35 | C38 | H38 | 30.3° | 30.0° |
| C11 | C10 | C4 | H10 | 180.0° | 180.0° |
| C11 | C10 | C4 | C14 | 0.0° | 0.3° |
| C11 | C10 | C4 | N1 | 180.0° | 180.0° |
| C33 | C21 | C17 | C37 | 180.0° | 179.7° |
| C33 | C21 | C17 | C18 | 60.1° | 0.3° |
| C33 | C21 | C17 | C16 | 119.8° | 180.0° |
| C33 | C21 | C37 | C36 | 0.0° | 0.3° |
| C33 | C21 | C37 | H37 | 180.0° | 179.8° |
| C21 | C33 | C34 | H34 | 179.9° | 180.0° |
| C42 | C38 | N35 | H9L | 120.1° | 120.0° |
| C42 | C38 | N35 | H38 | 120.1° | 120.0° |
| C42 | C38 | N35 | C36 | 90.1° | 90.3° |
| C42 | C38 | H9L | H38 | 119.7° | 120.1° |
| C38 | C42 | H42 | H9Q | 120.0° | 120.0° |
| C38 | C42 | H42 | H9R | 120.0° | 120.0° |
| C38 | C42 | H9Q | H9R | 120.0° | 120.0° |
| C38 | N35 | C36 | C37 | 180.0° | 180.0° |
| C38 | N35 | C36 | H36 | 0.0° | 0.1° |
| C38 | N35 | C34 | H34 | 0.0° | 0.1° |
| N35 | C38 | H9L | H38 | 119.7° | 120.0° |
| N35 | C38 | C42 | H42 | 180.0° | 60.0° |
| N35 | C38 | C42 | H9Q | 60.0° | 60.0° |
| N35 | C38 | C42 | H9R | 60.0° | 180.0° |
| C13 | C14 | C4 | C10 | 0.0° | 0.4° |
| C13 | C14 | C4 | H14 | 180.0° | 179.9° |
| C13 | C14 | C4 | N1 | 180.0° | 180.0° |
| N35 | C36 | C37 | C21 | 0.0° | 0.1° |
| N35 | C36 | C37 | H36 | 180.0° | 179.9° |
| N35 | C36 | C37 | H37 | 180.0° | 179.9° |
| C36 | N35 | C34 | H34 | 179.9° | 179.7° |
| C36 | N35 | C38 | H9L | 30.0° | 29.7° |
| C36 | N35 | C38 | H38 | 149.7° | 149.6° |
| C10 | C4 | C14 | N1 | 180.0° | 179.7° |
| C10 | C4 | N1 | C2 | 74.1° | 5.0° |
| C10 | C4 | N1 | C3 | 112.3° | 175.0° |
| C10 | C4 | C14 | H14 | 179.9° | 179.8° |
| C4 | C10 | C11 | H11 | 179.9° | 180.0° |
| C21 | C17 | C18 | C16 | 179.9° | 179.7° |
| C21 | C17 | C18 | C19 | 180.0° | 180.0° |
| C17 | C21 | C37 | C36 | 180.0° | 180.0° |
| C21 | C17 | C16 | C15 | 180.0° | 179.9° |
| C21 | C17 | C18 | H18 | 0.0° | 0.0° |
| C21 | C17 | C16 | H16 | 0.0° | 0.1° |
| C17 | C21 | C37 | H37 | 0.0° | 0.0° |
| C17 | C21 | C33 | H33 | 0.0° | 0.0° |
| C37 | C21 | C17 | C18 | 119.9° | 180.0° |
| C37 | C21 | C17 | C16 | 60.2° | 0.3° |
| C21 | C37 | C36 | H37 | 180.0° | 180.0° |
| C21 | C37 | C36 | H36 | 180.0° | 180.0° |
| C37 | C21 | C33 | H33 | 180.0° | 179.7° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C2 | 0.0° | 0.0° |
| C18 | C17 | C16 | C15 | 0.0° | 0.4° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C18 | C17 | C16 | H16 | 179.9° | 179.7° |
| C19 | C18 | C17 | C16 | 0.0° | 0.3° |
| C18 | C19 | C2 | H19 | 180.0° | 180.0° |
| C18 | C19 | C2 | N1 | 180.0° | 180.0° |
| C18 | C19 | C2 | C15 | 0.0° | 0.3° |
| C14 | C4 | N1 | C2 | 105.9° | 174.7° |
| C14 | C4 | N1 | C3 | 67.8° | 5.4° |
| C4 | C14 | C13 | H13 | 179.9° | 179.9° |
| C14 | C4 | C10 | H10 | 180.0° | 179.7° |
| C4 | N1 | C2 | C19 | 59.6° | 93.1° |
| C4 | N1 | C2 | C3 | 173.3° | 180.0° |
| C4 | N1 | C2 | C15 | 120.3° | 87.1° |
| C4 | N1 | C3 | C5 | 65.5° | 87.1° |
| C4 | N1 | C3 | C9 | 114.5° | 93.1° |
| N1 | C4 | C14 | H14 | 0.1° | 0.1° |
| N1 | C4 | C10 | H10 | 0.0° | 0.0° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | C2 | 0.0° | 0.1° |
| C16 | C17 | C18 | H18 | 180.0° | 179.7° |
| C17 | C16 | C15 | H15 | 179.9° | 179.9° |
| C19 | C2 | C15 | C16 | 0.0° | 0.2° |
| C19 | C2 | N1 | C15 | 180.0° | 179.7° |
| C19 | C2 | N1 | C3 | 113.6° | 86.8° |
| C2 | C19 | C18 | H18 | 180.0° | 180.0° |
| C19 | C2 | C15 | H15 | 180.0° | 179.7° |
| C16 | C15 | C2 | N1 | 180.0° | 179.9° |
| C16 | C15 | C2 | H15 | 180.0° | 179.9° |
| C2 | N1 | C3 | C5 | 121.1° | 92.8° |
| C2 | N1 | C3 | C9 | 58.9° | 86.9° |
| N1 | C2 | C19 | H19 | 0.0° | 0.0° |
| N1 | C2 | C15 | H15 | 0.0° | 0.0° |
| C15 | C2 | N1 | C3 | 66.4° | 92.9° |
| C15 | C2 | C19 | H19 | 180.0° | 179.8° |
| C2 | C15 | C16 | H16 | 179.9° | 180.0° |
| N1 | C3 | C5 | C9 | 180.0° | 179.8° |
| N1 | C3 | C5 | C6 | 180.0° | 180.0° |
| N1 | C3 | C9 | C8 | 179.9° | 180.0° |
| N1 | C3 | C9 | H9 | 0.0° | 0.0° |
| N1 | C3 | C5 | H5 | 0.0° | 0.0° |
| C3 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C3 | C9 | C8 | 0.0° | 0.2° |
| C3 | C5 | C6 | C7 | 0.1° | 0.0° |
| C5 | C3 | C9 | H9 | 180.0° | 179.7° |
| C3 | C5 | C6 | H6 | 180.0° | 179.9° |
| C9 | C3 | C5 | C6 | 0.0° | 0.2° |
| C3 | C9 | C8 | H9 | 180.0° | 180.0° |
| C3 | C9 | C8 | C7 | 0.0° | 0.0° |
| C3 | C9 | C8 | H8 | 180.0° | 179.9° |
| C9 | C3 | C5 | H5 | 179.9° | 179.8° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.3° |
| C5 | C6 | C7 | C20 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.0° | 0.3° |
| C9 | C8 | C7 | H8 | 180.0° | 179.9° |
| C9 | C8 | C7 | C20 | 180.0° | 180.0° |
| C6 | C7 | C8 | C20 | 180.0° | 179.7° |
| C6 | C7 | C20 | C27 | 51.9° | 0.3° |
| C6 | C7 | C20 | C23 | 128.1° | 180.0° |
| C6 | C7 | C8 | H8 | 180.0° | 179.8° |
| C7 | C6 | C5 | H5 | 179.9° | 180.0° |
| C8 | C7 | C20 | C27 | 128.1° | 180.0° |
| C8 | C7 | C20 | C23 | 51.9° | 0.3° |
| C7 | C8 | C9 | H9 | 180.0° | 180.0° |
| C8 | C7 | C6 | H6 | 180.0° | 179.7° |
| C7 | C20 | C27 | C23 | 180.0° | 179.7° |
| C7 | C20 | C27 | C26 | 180.0° | 180.0° |
| C7 | C20 | C23 | C24 | 180.0° | 180.0° |
| C20 | C7 | C8 | H8 | 0.0° | 0.1° |
| C20 | C7 | C6 | H6 | 0.0° | 0.1° |
| C7 | C20 | C27 | H27 | 0.0° | 0.1° |
| C7 | C20 | C23 | H23 | 0.0° | 0.0° |
| C20 | C27 | C26 | H27 | 180.0° | 179.9° |
| C27 | C20 | C23 | C24 | 0.0° | 0.3° |
| C20 | C27 | C26 | N25 | 0.0° | 0.0° |
| C20 | C27 | C26 | H26 | 180.0° | 180.0° |
| C27 | C20 | C23 | H23 | 180.0° | 179.7° |
| C23 | C20 | C27 | C26 | 0.0° | 0.3° |
| C20 | C23 | C24 | H23 | 180.0° | 180.0° |
| C20 | C23 | C24 | N25 | 0.0° | 0.1° |
| C23 | C20 | C27 | H27 | 180.0° | 179.8° |
| C20 | C23 | C24 | H24 | 179.9° | 180.0° |
| C27 | C26 | N25 | H26 | 180.0° | 180.0° |
| C27 | C26 | N25 | C24 | 0.0° | 0.4° |
| C27 | C26 | N25 | C40 | 180.0° | 180.0° |
| C23 | C24 | N25 | C26 | 0.0° | 0.4° |
| C23 | C24 | N25 | H24 | 180.0° | 179.9° |
| C23 | C24 | N25 | C40 | 180.0° | 179.9° |
| C26 | N25 | C24 | C40 | 180.0° | 179.7° |
| C26 | N25 | C40 | C43 | 88.7° | 90.0° |
| N25 | C26 | C27 | H27 | 180.0° | 179.9° |
| C26 | N25 | C24 | H24 | 179.9° | 179.7° |
| C26 | N25 | C40 | H40 | 151.1° | 150.0° |
| C26 | N25 | C40 | H9N | 31.3° | 30.0° |
| C24 | N25 | C40 | C43 | 91.2° | 89.7° |
| C24 | N25 | C26 | H26 | 180.0° | 179.7° |
| N25 | C24 | C23 | H23 | 180.0° | 180.0° |
| C24 | N25 | C40 | H40 | 28.9° | 30.3° |
| C24 | N25 | C40 | H9N | 148.7° | 150.3° |
| N25 | C40 | C43 | H40 | 120.1° | 120.0° |
| N25 | C40 | C43 | H9N | 120.1° | 120.0° |
| C40 | N25 | C26 | H26 | 0.0° | 0.0° |
| C40 | N25 | C24 | H24 | 0.0° | 0.0° |
| N25 | C40 | H40 | H9N | 119.6° | 120.0° |
| N25 | C40 | C43 | H9T | 180.0° | 60.0° |
| N25 | C40 | C43 | H43 | 60.0° | 180.0° |
| N25 | C40 | C43 | H9S | 60.0° | 60.1° |
| C43 | C40 | H40 | H9N | 119.7° | 120.0° |
| C40 | C43 | H9T | H43 | 120.0° | 120.0° |
| C40 | C43 | H9T | H9S | 120.0° | 120.0° |
| C40 | C43 | H43 | H9S | 120.0° | 119.9° |
| H41 | C41 | H9O | H9P | 120.0° | 120.0° |
| H41 | C41 | C39 | H39 | 59.9° | 60.0° |
| H41 | C41 | C39 | H9M | 59.9° | 180.0° |
| H9O | C41 | C39 | H39 | 60.1° | 180.0° |
| H9O | C41 | C39 | H9M | 179.9° | 60.0° |
| H9P | C41 | C39 | H39 | 179.9° | 60.0° |
| H9P | C41 | C39 | H9M | 60.1° | 60.0° |
| H31 | C31 | C32 | H32 | 0.1° | 0.0° |
| H29 | C29 | C28 | H28 | 0.0° | 0.0° |
| H13 | C13 | C14 | H14 | 0.1° | 0.1° |
| H11 | C11 | C10 | H10 | 0.1° | 0.1° |
| H9 | C9 | C8 | H8 | 0.0° | 0.1° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| H27 | C27 | C26 | H26 | 0.0° | 0.0° |
| H23 | C23 | C24 | H24 | 0.0° | 0.1° |
| H40 | C40 | C43 | H9T | 59.9° | 59.9° |
| H40 | C40 | C43 | H43 | 179.9° | 60.1° |
| H40 | C40 | C43 | H9S | 60.1° | 180.0° |
| H9N | C40 | C43 | H9T | 59.9° | NaN° |
| H9N | C40 | C43 | H43 | 60.1° | 60.0° |
| H9N | C40 | C43 | H9S | 179.9° | 59.9° |
| H9T | C43 | H43 | H9S | 119.9° | 120.1° |
| H19 | C19 | C18 | H18 | 0.0° | 0.0° |
| H15 | C15 | C16 | H16 | 0.1° | 0.1° |
| H37 | C37 | C36 | H36 | 0.0° | 0.0° |
| H33 | C33 | C34 | H34 | 0.1° | 0.0° |
| H9L | C38 | C42 | H42 | 59.9° | 180.0° |
| H9L | C38 | C42 | H9Q | 60.1° | 60.0° |
| H9L | C38 | C42 | H9R | 179.9° | 60.0° |
| H38 | C38 | C42 | H42 | 59.9° | 60.0° |
| H38 | C38 | C42 | H9Q | 179.8° | 180.0° |
| H38 | C38 | C42 | H9R | 60.1° | 60.0° |
| H42 | C42 | H9Q | H9R | 120.0° | 120.0° |
